smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000076446289 1013320595 /nfs/dbraw/zinc/32/05/95/1013320595.db2.gz WXTMRIOZBHLDRX-HKUYNNGSSA-N 1 3 324.468 3.868 20 0 DHADHO COc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076446289 1013320605 /nfs/dbraw/zinc/32/06/05/1013320605.db2.gz WXTMRIOZBHLDRX-HKUYNNGSSA-N 1 3 324.468 3.868 20 0 DHADHO Fc1ccc([C@@H]2C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167969475 1013373853 /nfs/dbraw/zinc/37/38/53/1013373853.db2.gz CMAQOQJCVZHFTN-HLKUOHOZSA-N 1 3 314.448 3.677 20 0 DHADHO Fc1ccc([C@@H]2C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167969475 1013373860 /nfs/dbraw/zinc/37/38/60/1013373860.db2.gz CMAQOQJCVZHFTN-HLKUOHOZSA-N 1 3 314.448 3.677 20 0 DHADHO Cc1ccc(-c2ncc(C[NH2+][C@H](C)CCN(C)C)s2)cc1C ZINC000655720673 1013665147 /nfs/dbraw/zinc/66/51/47/1013665147.db2.gz CNOZMXDZJGNACU-OAHLLOKOSA-N 1 3 317.502 3.857 20 0 DHADHO COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c2ccccc12 ZINC000325198312 1013680245 /nfs/dbraw/zinc/68/02/45/1013680245.db2.gz CRAZLTWMNMWONZ-FXAWDEMLSA-N 1 3 324.468 3.812 20 0 DHADHO CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@@H]1CCCCO1 ZINC000655849411 1013775725 /nfs/dbraw/zinc/77/57/25/1013775725.db2.gz OOCXBAUBZOBMDH-RNQOJCNYSA-N 1 3 322.537 3.967 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)[C@@H]1CCCCO1 ZINC000655849411 1013775729 /nfs/dbraw/zinc/77/57/29/1013775729.db2.gz OOCXBAUBZOBMDH-RNQOJCNYSA-N 1 3 322.537 3.967 20 0 DHADHO c1cc2cc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2cn1 ZINC000683831845 1014055905 /nfs/dbraw/zinc/05/59/05/1014055905.db2.gz JICCOQDAZHBMTP-TZIWHRDSSA-N 1 3 321.468 3.684 20 0 DHADHO c1cc2cc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2cn1 ZINC000683831845 1014055907 /nfs/dbraw/zinc/05/59/07/1014055907.db2.gz JICCOQDAZHBMTP-TZIWHRDSSA-N 1 3 321.468 3.684 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc2sccc2c1 ZINC000564823700 1014109170 /nfs/dbraw/zinc/10/91/70/1014109170.db2.gz WYDVVABJDJPPGP-LBPRGKRZSA-N 1 3 311.454 3.914 20 0 DHADHO CCC(C)(C)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000441475558 1014207684 /nfs/dbraw/zinc/20/76/84/1014207684.db2.gz QLGBJGNUWKPJQT-IAGOWNOFSA-N 1 3 310.526 3.634 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)C2(c3ccccc3)CCCC2)C1 ZINC000520648503 1014399244 /nfs/dbraw/zinc/39/92/44/1014399244.db2.gz BVZHCVOLLMHGGP-QZTJIDSGSA-N 1 3 300.490 3.818 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(-c2cccs2)cc1 ZINC000665237618 1014509696 /nfs/dbraw/zinc/50/96/96/1014509696.db2.gz FPJMGVJKKUPXDU-WMLDXEAASA-N 1 3 300.471 3.893 20 0 DHADHO Cc1cc2c(cc1C)[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CCS2 ZINC000427691163 1014516214 /nfs/dbraw/zinc/51/62/14/1014516214.db2.gz SLQVYLXFYXQQNR-ZMSDIMECSA-N 1 3 304.503 3.913 20 0 DHADHO Cc1cc2c(cc1C)[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCS2 ZINC000427691163 1014516222 /nfs/dbraw/zinc/51/62/22/1014516222.db2.gz SLQVYLXFYXQQNR-ZMSDIMECSA-N 1 3 304.503 3.913 20 0 DHADHO c1ccc2c(c1)CC[C@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665261454 1014597199 /nfs/dbraw/zinc/59/71/99/1014597199.db2.gz CSHLVFXQBCSDFQ-SVFBPWRDSA-N 1 3 320.436 3.519 20 0 DHADHO C[C@H]1CC([NH2+]Cc2cccc(O)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168012018 1014605092 /nfs/dbraw/zinc/60/50/92/1014605092.db2.gz UWUQWTUFUCPOPL-IRXDYDNUSA-N 1 3 324.468 3.923 20 0 DHADHO CSc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000581251287 1014653048 /nfs/dbraw/zinc/65/30/48/1014653048.db2.gz KTMUDHRZUHKBQK-QIIPPGSGSA-N 1 3 304.503 3.858 20 0 DHADHO CSc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000581251287 1014653056 /nfs/dbraw/zinc/65/30/56/1014653056.db2.gz KTMUDHRZUHKBQK-QIIPPGSGSA-N 1 3 304.503 3.858 20 0 DHADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000665280693 1014672652 /nfs/dbraw/zinc/67/26/52/1014672652.db2.gz JCKFZQQPVDWDTE-SMDDNHRTSA-N 1 3 304.356 3.609 20 0 DHADHO Brc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000223017467 1014738810 /nfs/dbraw/zinc/73/88/10/1014738810.db2.gz MDEJPYQEEYRCOI-INIZCTEOSA-N 1 3 323.278 3.512 20 0 DHADHO CCCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000442880302 1014759410 /nfs/dbraw/zinc/75/94/10/1014759410.db2.gz YESXMOTVNDULOT-LJQANCHMSA-N 1 3 317.521 3.534 20 0 DHADHO c1cc2cc(C[NH2+]C3CCN(CC4CC4)CC3)ccc2s1 ZINC000521944490 1014846317 /nfs/dbraw/zinc/84/63/17/1014846317.db2.gz BBGKLQZMFLPVMY-UHFFFAOYSA-N 1 3 300.471 3.865 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474079922 1014962793 /nfs/dbraw/zinc/96/27/93/1014962793.db2.gz JMDWGCRMMHOOQS-HNAYVOBHSA-N 1 3 316.489 3.739 20 0 DHADHO CCC[N@H+]1CC[C@@H](CN[C@@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474079922 1014962804 /nfs/dbraw/zinc/96/28/04/1014962804.db2.gz JMDWGCRMMHOOQS-HNAYVOBHSA-N 1 3 316.489 3.739 20 0 DHADHO C[C@H](CC[NH2+][C@@H](c1cccnc1)C1CCC1)N1CCCCC1 ZINC000280852998 1014978740 /nfs/dbraw/zinc/97/87/40/1014978740.db2.gz MSZCHILJYSQCKM-VQIMIIECSA-N 1 3 301.478 3.777 20 0 DHADHO CC(C)(C)c1ncc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656785113 1015159545 /nfs/dbraw/zinc/15/95/45/1015159545.db2.gz ITKUOSIKDFZIJR-OAHLLOKOSA-N 1 3 321.534 3.652 20 0 DHADHO CCCCc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000151357330 1016036645 /nfs/dbraw/zinc/03/66/45/1016036645.db2.gz AROZYHMQWQSEBV-KRWDZBQOSA-N 1 3 318.505 3.527 20 0 DHADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346676834 1016506048 /nfs/dbraw/zinc/50/60/48/1016506048.db2.gz KSTJGBZZCOODKF-OCCSQVGLSA-N 1 3 304.434 3.723 20 0 DHADHO CC[NH+]1CCC(CCNCc2cccc(OC3CC3)c2F)CC1 ZINC000657376228 1016536698 /nfs/dbraw/zinc/53/66/98/1016536698.db2.gz ISXANRJBAFYJQO-UHFFFAOYSA-N 1 3 320.452 3.579 20 0 DHADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)C[C@H]1CCCCO1 ZINC000680637636 1016707009 /nfs/dbraw/zinc/70/70/09/1016707009.db2.gz PLESSTOWLCDLMZ-LJQANCHMSA-N 1 3 308.510 3.722 20 0 DHADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000347214893 1016793418 /nfs/dbraw/zinc/79/34/18/1016793418.db2.gz QQUHLTLAISEPMD-LBPRGKRZSA-N 1 3 306.862 3.849 20 0 DHADHO CC[C@@H](C(=O)Nc1ccc(C[NH+](CC)CC)cc1)N(CC)CC ZINC000347232443 1016797590 /nfs/dbraw/zinc/79/75/90/1016797590.db2.gz MQXAOQDAPACYOR-SFHVURJKSA-N 1 3 319.493 3.587 20 0 DHADHO CC(C)(C[NH2+]Cc1cc2ccncc2s1)CN1CCCC1 ZINC000657448697 1016865385 /nfs/dbraw/zinc/86/53/85/1016865385.db2.gz WFMDPSGNLCPPPO-UHFFFAOYSA-N 1 3 303.475 3.508 20 0 DHADHO Cc1ccccc1C[C@H]([NH2+]C[C@@H](C)CN1CCCC1)C1CC1 ZINC000671294817 1016867471 /nfs/dbraw/zinc/86/74/71/1016867471.db2.gz LHYASHJUUGTSIH-UZLBHIALSA-N 1 3 300.490 3.638 20 0 DHADHO CC(C)COc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000475123279 1016985135 /nfs/dbraw/zinc/98/51/35/1016985135.db2.gz VODYRZRWGFNZEK-UHFFFAOYSA-N 1 3 316.489 3.782 20 0 DHADHO CC(C)COc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000475123279 1016985145 /nfs/dbraw/zinc/98/51/45/1016985145.db2.gz VODYRZRWGFNZEK-UHFFFAOYSA-N 1 3 316.489 3.782 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)CC1(C)C ZINC000623377093 1017002021 /nfs/dbraw/zinc/00/20/21/1017002021.db2.gz MPQCFXGKNIQLQI-INIZCTEOSA-N 1 3 304.478 3.826 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccccc2N2CCCCC2)CC1(C)C ZINC000623486970 1017067307 /nfs/dbraw/zinc/06/73/07/1017067307.db2.gz OSGALIBHJFPATH-SFHVURJKSA-N 1 3 315.505 3.639 20 0 DHADHO C[NH+](C)C1CCC(N2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001168324182 1032268242 /nfs/dbraw/zinc/26/82/42/1032268242.db2.gz JBWOHMSLKCUNTB-ABHNRTSZSA-N 1 3 322.493 3.788 20 0 DHADHO CN1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000121221272 1032428202 /nfs/dbraw/zinc/42/82/02/1032428202.db2.gz WZKKEBXUPZBDPG-JXFKEZNVSA-N 1 3 312.432 3.847 20 0 DHADHO CC[NH+](CC)CCOC1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000075007727 1017287646 /nfs/dbraw/zinc/28/76/46/1017287646.db2.gz MMHYDWXYCLLTQR-MRXNPFEDSA-N 1 3 322.468 3.710 20 0 DHADHO CN1CCCC[C@H](C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877653588 1033397176 /nfs/dbraw/zinc/39/71/76/1033397176.db2.gz OBMRGBFTFAWNKC-GFCCVEGCSA-N 1 3 323.893 3.771 20 0 DHADHO Cc1ccc([C@@H](C)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000122396427 1032604823 /nfs/dbraw/zinc/60/48/23/1032604823.db2.gz KZLLEKXYZGIVOK-QGZVFWFLSA-N 1 3 312.457 3.786 20 0 DHADHO NC1(c2ccccc2)CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171413395 1032619258 /nfs/dbraw/zinc/61/92/58/1032619258.db2.gz FGRIZNDWPCRIGC-SFHVURJKSA-N 1 3 324.443 3.633 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2cc(C)cc(C)n2)CC1 ZINC001167077763 1012530630 /nfs/dbraw/zinc/53/06/30/1012530630.db2.gz NJGBRIXAZNVAPQ-UHFFFAOYSA-N 1 3 303.494 3.642 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(C)cc(C)n2)CC1 ZINC001167077763 1012530645 /nfs/dbraw/zinc/53/06/45/1012530645.db2.gz NJGBRIXAZNVAPQ-UHFFFAOYSA-N 1 3 303.494 3.642 20 0 DHADHO CCc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000537696387 1032675105 /nfs/dbraw/zinc/67/51/05/1032675105.db2.gz HGUBBTLHNYKIQD-KDOFPFPSSA-N 1 3 304.503 3.759 20 0 DHADHO CCc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000537696387 1032675125 /nfs/dbraw/zinc/67/51/25/1032675125.db2.gz HGUBBTLHNYKIQD-KDOFPFPSSA-N 1 3 304.503 3.759 20 0 DHADHO CC[C@@H]([NH2+]CCCN1CCCC1)c1ccc(OC(F)F)cc1 ZINC000178414322 1017176524 /nfs/dbraw/zinc/17/65/24/1017176524.db2.gz ONKHHYZZINLNFH-MRXNPFEDSA-N 1 3 312.404 3.815 20 0 DHADHO FC1(F)CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716619397 1032699308 /nfs/dbraw/zinc/69/93/08/1032699308.db2.gz CVLPWZCHOXSVIQ-MHORFTMASA-N 1 3 320.427 3.817 20 0 DHADHO COc1ccc([C@H](C)CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000180470592 1017451451 /nfs/dbraw/zinc/45/14/51/1017451451.db2.gz YELHUESBWIOLEO-QZTJIDSGSA-N 1 3 316.489 3.607 20 0 DHADHO Cc1cc2[nH]c(C[NH2+]C3CC(N4CCCCC4)C3)cc2c(C)c1 ZINC000475575200 1017456410 /nfs/dbraw/zinc/45/64/10/1017456410.db2.gz QMAKBOKAMIYESF-UHFFFAOYSA-N 1 3 311.473 3.891 20 0 DHADHO CSC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716682806 1032701762 /nfs/dbraw/zinc/70/17/62/1032701762.db2.gz POLANNXOHSRLHQ-KSZLIROESA-N 1 3 316.514 3.525 20 0 DHADHO C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)CC(F)F ZINC000716727106 1032704593 /nfs/dbraw/zinc/70/45/93/1032704593.db2.gz IDLCXPVKRNFXTC-DKIMLUQUSA-N 1 3 322.443 3.920 20 0 DHADHO C[C@@H]1CC([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@@H](C)C1 ZINC000657613517 1017569373 /nfs/dbraw/zinc/56/93/73/1017569373.db2.gz MHTUPSRGKDSOSQ-IRXDYDNUSA-N 1 3 315.505 3.708 20 0 DHADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624119836 1017692744 /nfs/dbraw/zinc/69/27/44/1017692744.db2.gz KSBCMGNVRQPEKQ-IAGOWNOFSA-N 1 3 304.478 3.856 20 0 DHADHO C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000624123486 1017696043 /nfs/dbraw/zinc/69/60/43/1017696043.db2.gz MZFDEAQLUNZVBT-KGLIPLIRSA-N 1 3 303.475 3.679 20 0 DHADHO C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cc2ccncc2s1 ZINC000624123486 1017696058 /nfs/dbraw/zinc/69/60/58/1017696058.db2.gz MZFDEAQLUNZVBT-KGLIPLIRSA-N 1 3 303.475 3.679 20 0 DHADHO COc1ccc([C@@H]([NH2+]C[C@H]2CCCCN(C)C2)C(C)C)cc1 ZINC000624122711 1017696293 /nfs/dbraw/zinc/69/62/93/1017696293.db2.gz ZKAXYJLGMCPRKX-APWZRJJASA-N 1 3 304.478 3.714 20 0 DHADHO COc1ccc([C@@H](NC[C@H]2CCCC[N@H+](C)C2)C(C)C)cc1 ZINC000624122711 1017696302 /nfs/dbraw/zinc/69/63/02/1017696302.db2.gz ZKAXYJLGMCPRKX-APWZRJJASA-N 1 3 304.478 3.714 20 0 DHADHO COc1ccc([C@@H](NC[C@H]2CCCC[N@@H+](C)C2)C(C)C)cc1 ZINC000624122711 1017696309 /nfs/dbraw/zinc/69/63/09/1017696309.db2.gz ZKAXYJLGMCPRKX-APWZRJJASA-N 1 3 304.478 3.714 20 0 DHADHO COc1cc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)ccc1SC ZINC000624121447 1017696885 /nfs/dbraw/zinc/69/68/85/1017696885.db2.gz WMWQJMVONAQILC-LSDHHAIUSA-N 1 3 322.518 3.800 20 0 DHADHO CCC[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000184932908 1018098509 /nfs/dbraw/zinc/09/85/09/1018098509.db2.gz QJQVEJFJGJXIOP-NRFANRHFSA-N 1 3 323.484 3.961 20 0 DHADHO CCC[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000184932908 1018098522 /nfs/dbraw/zinc/09/85/22/1018098522.db2.gz QJQVEJFJGJXIOP-NRFANRHFSA-N 1 3 323.484 3.961 20 0 DHADHO CC1(C)CCCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166854 1018196838 /nfs/dbraw/zinc/19/68/38/1018196838.db2.gz QEMBWUYGDBRFHO-IBGZPJMESA-N 1 3 315.505 3.852 20 0 DHADHO C[C@H](CC1CCCC1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168748 1018202213 /nfs/dbraw/zinc/20/22/13/1018202213.db2.gz YJRWWXZNGYAODT-QGZVFWFLSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@H](CC[N@@H+]1CC[C@H](CN2CCCCC2)C1)c1ccccc1 ZINC000447726540 1018459701 /nfs/dbraw/zinc/45/97/01/1018459701.db2.gz HDBRFHBRJLYTND-RTBURBONSA-N 1 3 300.490 3.988 20 0 DHADHO C[C@H](CC[N@H+]1CC[C@H](CN2CCCCC2)C1)c1ccccc1 ZINC000447726540 1018459705 /nfs/dbraw/zinc/45/97/05/1018459705.db2.gz HDBRFHBRJLYTND-RTBURBONSA-N 1 3 300.490 3.988 20 0 DHADHO C[C@H](CCN1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000447726540 1018459710 /nfs/dbraw/zinc/45/97/10/1018459710.db2.gz HDBRFHBRJLYTND-RTBURBONSA-N 1 3 300.490 3.988 20 0 DHADHO C[NH2+]Cc1ccccc1CNCc1ccc(OCC(C)C)cc1 ZINC000650719622 1018567523 /nfs/dbraw/zinc/56/75/23/1018567523.db2.gz WQMAEDDUSYDSAA-UHFFFAOYSA-N 1 3 312.457 3.731 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccccc2COC(C)C)CC1 ZINC000675773272 1018585985 /nfs/dbraw/zinc/58/59/85/1018585985.db2.gz RXNLLBXVQVJUDG-UHFFFAOYSA-N 1 3 304.478 3.576 20 0 DHADHO CCCN1CCC([NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1 ZINC000675784682 1018589570 /nfs/dbraw/zinc/58/95/70/1018589570.db2.gz PFUUOTLPYBPFIL-RTBURBONSA-N 1 3 320.452 3.510 20 0 DHADHO Cc1cccc2c1CC[C@@H]([NH2+]CCCN1CCC(C)CC1)C2 ZINC001171549506 1032773055 /nfs/dbraw/zinc/77/30/55/1032773055.db2.gz BQCAHTAOMQOQAW-LJQANCHMSA-N 1 3 300.490 3.564 20 0 DHADHO Cc1cccc2c1CC[C@H](N1CCC([NH3+])(CC3CCC3)CC1)C2 ZINC001171558461 1032779075 /nfs/dbraw/zinc/77/90/75/1032779075.db2.gz JHBHFXFMVILQRC-IBGZPJMESA-N 1 3 312.501 3.836 20 0 DHADHO CC1(C)C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C(C)(C)O1 ZINC000765451658 1018796622 /nfs/dbraw/zinc/79/66/22/1018796622.db2.gz COCOMZKYXPDHQS-SFHVURJKSA-N 1 3 322.537 3.967 20 0 DHADHO CC1(C)C[C@H](NC2CC[NH+](CC3CCCCC3)CC2)C(C)(C)O1 ZINC000765451658 1018796630 /nfs/dbraw/zinc/79/66/30/1018796630.db2.gz COCOMZKYXPDHQS-SFHVURJKSA-N 1 3 322.537 3.967 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3[C@H]4Cc5ccccc5[C@@H]34)CC2)C1 ZINC000584021226 1018860401 /nfs/dbraw/zinc/86/04/01/1018860401.db2.gz LLHKXXDTHLPJIO-YEHDIQIFSA-N 1 3 324.512 3.957 20 0 DHADHO C1CCC(N2CCC([NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)CC2)CC1 ZINC000921810729 1018891700 /nfs/dbraw/zinc/89/17/00/1018891700.db2.gz UTIJGLWMSOBJPW-JENIJYKNSA-N 1 3 320.521 3.578 20 0 DHADHO CC[NH+](CC)CCOC1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000080650344 1018942071 /nfs/dbraw/zinc/94/20/71/1018942071.db2.gz KEUJXDHNHFXMRU-INIZCTEOSA-N 1 3 322.468 3.710 20 0 DHADHO Cc1cnc(Cl)c(CNCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000921537933 1018953609 /nfs/dbraw/zinc/95/36/09/1018953609.db2.gz ZUXBFSMLJRJFFO-OAHLLOKOSA-N 1 3 309.885 3.788 20 0 DHADHO Cc1cnc(Cl)c(CNCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000921537933 1018953621 /nfs/dbraw/zinc/95/36/21/1018953621.db2.gz ZUXBFSMLJRJFFO-OAHLLOKOSA-N 1 3 309.885 3.788 20 0 DHADHO CN1C(C)(C)CC([NH2+]CCCc2ccc(F)cc2)CC1(C)C ZINC001171622278 1032803813 /nfs/dbraw/zinc/80/38/13/1032803813.db2.gz ZBVISUFBFDEXBA-UHFFFAOYSA-N 1 3 306.469 3.999 20 0 DHADHO COc1ccc(CCNC2CC(C)(C)[NH+](C)C(C)(C)C2)c(F)c1 ZINC001171625351 1032805288 /nfs/dbraw/zinc/80/52/88/1032805288.db2.gz IGXCGLYCLIUHTG-UHFFFAOYSA-N 1 3 322.468 3.618 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccncc2s1 ZINC000657838049 1019087415 /nfs/dbraw/zinc/08/74/15/1019087415.db2.gz NEOCFWPWGLYWRU-QEJZJMRPSA-N 1 3 301.459 3.574 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2ccncc2s1 ZINC000657838049 1019087435 /nfs/dbraw/zinc/08/74/35/1019087435.db2.gz NEOCFWPWGLYWRU-QEJZJMRPSA-N 1 3 301.459 3.574 20 0 DHADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000172268252 1019256732 /nfs/dbraw/zinc/25/67/32/1019256732.db2.gz HKPWYDZDICIVFQ-QWHCGFSZSA-N 1 3 316.367 3.530 20 0 DHADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](CN(C)C)C1 ZINC000172268252 1019256740 /nfs/dbraw/zinc/25/67/40/1019256740.db2.gz HKPWYDZDICIVFQ-QWHCGFSZSA-N 1 3 316.367 3.530 20 0 DHADHO CCOC1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000657859309 1019348218 /nfs/dbraw/zinc/34/82/18/1019348218.db2.gz SIQZDZGCLUCGTL-UHFFFAOYSA-N 1 3 308.510 3.578 20 0 DHADHO Cc1ccc(CC[C@@H](C)N2CCC([NH3+])(c3cccnc3)CC2)cc1 ZINC001171667790 1032822763 /nfs/dbraw/zinc/82/27/63/1032822763.db2.gz YVHPZJGZHCRHGB-GOSISDBHSA-N 1 3 323.484 3.661 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000685470253 1019847742 /nfs/dbraw/zinc/84/77/42/1019847742.db2.gz BQLDAYMONDJIBV-CZUORRHYSA-N 1 3 314.395 3.786 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000685470253 1019847763 /nfs/dbraw/zinc/84/77/63/1019847763.db2.gz BQLDAYMONDJIBV-CZUORRHYSA-N 1 3 314.395 3.786 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CC23CCSCC3)CC1 ZINC000926602061 1019936485 /nfs/dbraw/zinc/93/64/85/1019936485.db2.gz REJYOPOFNLTHHX-INIZCTEOSA-N 1 3 310.551 3.620 20 0 DHADHO C[C@H](CSc1ccc(Cl)cc1)NCC[C@H]1CCC[N@@H+]1C ZINC001172878825 1033453003 /nfs/dbraw/zinc/45/30/03/1033453003.db2.gz KRMCJVWEZJIPER-UKRRQHHQSA-N 1 3 312.910 3.895 20 0 DHADHO C[C@H](CSc1ccc(Cl)cc1)NCC[C@H]1CCC[N@H+]1C ZINC001172878825 1033453008 /nfs/dbraw/zinc/45/30/08/1033453008.db2.gz KRMCJVWEZJIPER-UKRRQHHQSA-N 1 3 312.910 3.895 20 0 DHADHO C[C@H](CSc1ccc(Cl)cc1)[NH2+]CC[C@H]1CCCN1C ZINC001172878825 1033453015 /nfs/dbraw/zinc/45/30/15/1033453015.db2.gz KRMCJVWEZJIPER-UKRRQHHQSA-N 1 3 312.910 3.895 20 0 DHADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(C(F)F)nc1 ZINC000657974320 1020055210 /nfs/dbraw/zinc/05/52/10/1020055210.db2.gz NNKLRFULEMQUIL-ZDUSSCGKSA-N 1 3 311.420 3.792 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC000360441315 1020066481 /nfs/dbraw/zinc/06/64/81/1020066481.db2.gz GEAOQMOTPMRRMQ-WFASDCNBSA-N 1 3 310.894 3.808 20 0 DHADHO Cc1ccncc1CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000658127796 1020175311 /nfs/dbraw/zinc/17/53/11/1020175311.db2.gz WVXIXEBCOPVBOX-XLIONFOSSA-N 1 3 315.505 3.565 20 0 DHADHO CCCC(CCC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165019 1020197992 /nfs/dbraw/zinc/19/79/92/1020197992.db2.gz BYKKWUCNHUHAEY-UHFFFAOYSA-N 1 3 303.494 3.852 20 0 DHADHO CCSc1ccccc1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922709194 1020225298 /nfs/dbraw/zinc/22/52/98/1020225298.db2.gz KKLOHALJESVLGQ-DLBZAZTESA-N 1 3 304.503 3.558 20 0 DHADHO CCSc1ccccc1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922709194 1020225308 /nfs/dbraw/zinc/22/53/08/1020225308.db2.gz KKLOHALJESVLGQ-DLBZAZTESA-N 1 3 304.503 3.558 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@]2(C)CC2(F)F)CC1 ZINC000658217994 1020244662 /nfs/dbraw/zinc/24/46/62/1020244662.db2.gz IGNRXUGCFYGQKC-FVQBIDKESA-N 1 3 300.437 3.664 20 0 DHADHO Clc1cc(Cl)cc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166338265 1020259646 /nfs/dbraw/zinc/25/96/46/1020259646.db2.gz QCQLIVYBLPSWPX-JKSUJKDBSA-N 1 3 313.272 3.752 20 0 DHADHO Clc1cc(Cl)cc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166338265 1020259650 /nfs/dbraw/zinc/25/96/50/1020259650.db2.gz QCQLIVYBLPSWPX-JKSUJKDBSA-N 1 3 313.272 3.752 20 0 DHADHO CC(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1(C)C ZINC000765805459 1020263401 /nfs/dbraw/zinc/26/34/01/1020263401.db2.gz CNDYMYXFMOGWGI-RTBURBONSA-N 1 3 322.537 3.823 20 0 DHADHO COCc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000340172233 1020369460 /nfs/dbraw/zinc/36/94/60/1020369460.db2.gz QVPNFYBZFCVNQO-RTWAWAEBSA-N 1 3 324.468 3.758 20 0 DHADHO COCc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000340172233 1020369470 /nfs/dbraw/zinc/36/94/70/1020369470.db2.gz QVPNFYBZFCVNQO-RTWAWAEBSA-N 1 3 324.468 3.758 20 0 DHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(O)cc1 ZINC000390717748 1020372460 /nfs/dbraw/zinc/37/24/60/1020372460.db2.gz JMILQPWLOQKZGT-HXUWFJFHSA-N 1 3 324.468 3.783 20 0 DHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(O)cc1 ZINC000390717748 1020372471 /nfs/dbraw/zinc/37/24/71/1020372471.db2.gz JMILQPWLOQKZGT-HXUWFJFHSA-N 1 3 324.468 3.783 20 0 DHADHO C[N@@H+]1CC[C@@H](NCC2(C(F)(F)F)CC2)C[C@H]1c1ccccc1 ZINC000340395071 1020407532 /nfs/dbraw/zinc/40/75/32/1020407532.db2.gz UHADBUGVJDQCEF-CABCVRRESA-N 1 3 312.379 3.754 20 0 DHADHO C[N@H+]1CC[C@@H](NCC2(C(F)(F)F)CC2)C[C@H]1c1ccccc1 ZINC000340395071 1020407537 /nfs/dbraw/zinc/40/75/37/1020407537.db2.gz UHADBUGVJDQCEF-CABCVRRESA-N 1 3 312.379 3.754 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000156020833 1020522512 /nfs/dbraw/zinc/52/25/12/1020522512.db2.gz UDZOXBFZHXJRSM-UHFFFAOYSA-N 1 3 318.358 3.809 20 0 DHADHO COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1C ZINC000858491158 1032918531 /nfs/dbraw/zinc/91/85/31/1032918531.db2.gz ZHEIHAHYMAMUJC-IAGOWNOFSA-N 1 3 304.478 3.695 20 0 DHADHO COc1c(C)cc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc1C ZINC000734849827 1020669655 /nfs/dbraw/zinc/66/96/55/1020669655.db2.gz OEYZNILBCBIIQD-QGZVFWFLSA-N 1 3 306.494 3.768 20 0 DHADHO CC1(C)C[C@H]([NH2+]Cc2cncs2)CCN1Cc1ccccc1 ZINC001171965781 1032937652 /nfs/dbraw/zinc/93/76/52/1032937652.db2.gz RJSVKWJTKPCWTM-MRXNPFEDSA-N 1 3 315.486 3.676 20 0 DHADHO Cc1nc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)sc1C ZINC000892590854 1021051642 /nfs/dbraw/zinc/05/16/42/1021051642.db2.gz YCNYSFQIBYEYHK-ZIAGYGMSSA-N 1 3 309.523 3.608 20 0 DHADHO COC1([C@H](C)NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000414308500 1021079288 /nfs/dbraw/zinc/07/92/88/1021079288.db2.gz QLZGCADGRSZERL-RYRKJORJSA-N 1 3 308.510 3.577 20 0 DHADHO COC1([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000414308500 1021079293 /nfs/dbraw/zinc/07/92/93/1021079293.db2.gz QLZGCADGRSZERL-RYRKJORJSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000414341599 1021110556 /nfs/dbraw/zinc/11/05/56/1021110556.db2.gz OMJOKIKBBBPWGY-NXWXRZEISA-N 1 3 310.441 3.778 20 0 DHADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000414341599 1021110559 /nfs/dbraw/zinc/11/05/59/1021110559.db2.gz OMJOKIKBBBPWGY-NXWXRZEISA-N 1 3 310.441 3.778 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000647552369 1021158590 /nfs/dbraw/zinc/15/85/90/1021158590.db2.gz XQFDJSBGMNFXIN-GJZGRUSLSA-N 1 3 316.420 3.620 20 0 DHADHO Cc1cc2c(cc1C)[C@H](NC[C@@H]1CCC[N@@H+](C)C1)CCS2 ZINC000187187906 1021170488 /nfs/dbraw/zinc/17/04/88/1021170488.db2.gz WZISUMPQUATZME-DOTOQJQBSA-N 1 3 304.503 3.772 20 0 DHADHO Cc1cc2c(cc1C)[C@H](NC[C@@H]1CCC[N@H+](C)C1)CCS2 ZINC000187187906 1021170490 /nfs/dbraw/zinc/17/04/90/1021170490.db2.gz WZISUMPQUATZME-DOTOQJQBSA-N 1 3 304.503 3.772 20 0 DHADHO c1ccc(-c2ccccc2C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000917394600 1021248596 /nfs/dbraw/zinc/24/85/96/1021248596.db2.gz ICAXVJZZFKIEJX-QGZVFWFLSA-N 1 3 306.453 3.928 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091305937 1021276133 /nfs/dbraw/zinc/27/61/33/1021276133.db2.gz BLPUYHIDPFNRSB-VQIMIIECSA-N 1 3 304.478 3.714 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091305937 1021276144 /nfs/dbraw/zinc/27/61/44/1021276144.db2.gz BLPUYHIDPFNRSB-VQIMIIECSA-N 1 3 304.478 3.714 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091305937 1021276156 /nfs/dbraw/zinc/27/61/56/1021276156.db2.gz BLPUYHIDPFNRSB-VQIMIIECSA-N 1 3 304.478 3.714 20 0 DHADHO COc1ccccc1[C@H](NC[C@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000091335648 1021278022 /nfs/dbraw/zinc/27/80/22/1021278022.db2.gz LHBIDKORABKUGI-OXQOHEQNSA-N 1 3 316.489 3.858 20 0 DHADHO COc1ccccc1[C@H](NC[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000091335648 1021278026 /nfs/dbraw/zinc/27/80/26/1021278026.db2.gz LHBIDKORABKUGI-OXQOHEQNSA-N 1 3 316.489 3.858 20 0 DHADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCC2 ZINC000166149798 1021387326 /nfs/dbraw/zinc/38/73/26/1021387326.db2.gz JEYPXAAJMKUYFQ-MOPGFXCFSA-N 1 3 320.521 3.721 20 0 DHADHO CCO[C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000166149798 1021387344 /nfs/dbraw/zinc/38/73/44/1021387344.db2.gz JEYPXAAJMKUYFQ-MOPGFXCFSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc2c(c1)CCCO2 ZINC000850440384 1021535600 /nfs/dbraw/zinc/53/56/00/1021535600.db2.gz WZYPPHSYAWHHEG-JCGIZDLHSA-N 1 3 302.462 3.535 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CC2)ccc1OC ZINC000182231044 1021559117 /nfs/dbraw/zinc/55/91/17/1021559117.db2.gz PSYGHDOPIMFKEK-LSDHHAIUSA-N 1 3 304.478 3.986 20 0 DHADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2ccncc2)C3)cc1 ZINC001172069584 1032992403 /nfs/dbraw/zinc/99/24/03/1032992403.db2.gz VJZREMWVMFECMA-WKCHPHFGSA-N 1 3 321.468 3.757 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3cc(Cl)ccc3C1)C2 ZINC001172128891 1032998214 /nfs/dbraw/zinc/99/82/14/1032998214.db2.gz VHXAWAHFGYLESW-PIIMJCKOSA-N 1 3 304.865 3.713 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3cc(Cl)ccc3C1)C2 ZINC001172128891 1032998234 /nfs/dbraw/zinc/99/82/34/1032998234.db2.gz VHXAWAHFGYLESW-PIIMJCKOSA-N 1 3 304.865 3.713 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3cc(Cl)ccc31)C2 ZINC001172107395 1033008506 /nfs/dbraw/zinc/00/85/06/1033008506.db2.gz WRJDHBUCZMXUFA-XLMAVXFVSA-N 1 3 304.865 3.932 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3cc(Cl)ccc31)C2 ZINC001172107395 1033008521 /nfs/dbraw/zinc/00/85/21/1033008521.db2.gz WRJDHBUCZMXUFA-XLMAVXFVSA-N 1 3 304.865 3.932 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)c(F)c1 ZINC001172109241 1033011031 /nfs/dbraw/zinc/01/10/31/1033011031.db2.gz IWHRFOLKVIAMFN-XQLPTFJDSA-N 1 3 306.425 3.500 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCCc3cc(F)ccc31)C2 ZINC001172110308 1033011417 /nfs/dbraw/zinc/01/14/17/1033011417.db2.gz LFDSWVFKOJGMIA-BMFAXAFESA-N 1 3 302.437 3.808 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCCc3cc(F)ccc31)C2 ZINC001172110308 1033011432 /nfs/dbraw/zinc/01/14/32/1033011432.db2.gz LFDSWVFKOJGMIA-BMFAXAFESA-N 1 3 302.437 3.808 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000556869352 1021913455 /nfs/dbraw/zinc/91/34/55/1021913455.db2.gz GXIIACHHAMNDJE-CABCVRRESA-N 1 3 310.432 3.607 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3ccc(Cl)cc31)C2 ZINC001172113200 1033015228 /nfs/dbraw/zinc/01/52/28/1033015228.db2.gz HLBZNOCPDDEQEP-IVSAIRAKSA-N 1 3 320.864 3.769 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3F)CCC1)C2 ZINC001172113900 1033015873 /nfs/dbraw/zinc/01/58/73/1033015873.db2.gz KMZCAPCIKNIDGE-MUJYYYPQSA-N 1 3 302.437 3.810 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCOc3ccc(Cl)cc31)C2 ZINC001172113202 1033021028 /nfs/dbraw/zinc/02/10/28/1033021028.db2.gz HLBZNOCPDDEQEP-MPTYRVRUSA-N 1 3 320.864 3.769 20 0 DHADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000538305407 1033029710 /nfs/dbraw/zinc/02/97/10/1033029710.db2.gz QMYABZDPZAEHIC-ICSRJNTNSA-N 1 3 302.506 3.919 20 0 DHADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000538305407 1033029723 /nfs/dbraw/zinc/02/97/23/1033029723.db2.gz QMYABZDPZAEHIC-ICSRJNTNSA-N 1 3 302.506 3.919 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H](C)SC)ccc1OC ZINC000183378148 1022123110 /nfs/dbraw/zinc/12/31/10/1022123110.db2.gz NMIUMGDAIJEOGD-GJZGRUSLSA-N 1 3 324.534 3.939 20 0 DHADHO Cc1cccc(CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309907776 1022238273 /nfs/dbraw/zinc/23/82/73/1022238273.db2.gz QZXBHIKQXYSODN-OAQYLSRUSA-N 1 3 308.469 3.997 20 0 DHADHO Cc1cccc(CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309907776 1022238287 /nfs/dbraw/zinc/23/82/87/1022238287.db2.gz QZXBHIKQXYSODN-OAQYLSRUSA-N 1 3 308.469 3.997 20 0 DHADHO FC(F)(F)C1CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925535553 1022258057 /nfs/dbraw/zinc/25/80/57/1022258057.db2.gz HKMXHWLDTZUTHT-CKUJCDMFSA-N 1 3 318.427 3.865 20 0 DHADHO CO[C@@]1(C)C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000155129124 1022370378 /nfs/dbraw/zinc/37/03/78/1022370378.db2.gz RIDAVCMDSDGMKK-MJGOQNOKSA-N 1 3 308.510 3.577 20 0 DHADHO c1[nH]nc2c1[C@@H](NCc1ccc(C[NH+]3CCCCC3)cc1)CCC2 ZINC000367629831 1022418926 /nfs/dbraw/zinc/41/89/26/1022418926.db2.gz BNVADWNOSDZFGC-IBGZPJMESA-N 1 3 324.472 3.563 20 0 DHADHO C[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000155979732 1022431137 /nfs/dbraw/zinc/43/11/37/1022431137.db2.gz MDKACQDDOZLGHD-PXNSSMCTSA-N 1 3 309.457 3.787 20 0 DHADHO C[C@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000155979732 1022431141 /nfs/dbraw/zinc/43/11/41/1022431141.db2.gz MDKACQDDOZLGHD-PXNSSMCTSA-N 1 3 309.457 3.787 20 0 DHADHO CCC(CC)N1CCC([NH2+][C@H]2CSc3ccccc3C2)CC1 ZINC001172200579 1033060460 /nfs/dbraw/zinc/06/04/60/1033060460.db2.gz LCPGVWRDAGRUBC-QGZVFWFLSA-N 1 3 318.530 3.946 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1cccc(O)c1 ZINC000274865541 1022577794 /nfs/dbraw/zinc/57/77/94/1022577794.db2.gz DTDJXOCQCRQDKB-ZWOKBUDYSA-N 1 3 324.468 3.953 20 0 DHADHO C[C@H]1CN(Cc2csc(C(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001206024369 1022589222 /nfs/dbraw/zinc/58/92/22/1022589222.db2.gz IXKRCYSIHRHLPZ-CMPLNLGQSA-N 1 3 306.397 3.574 20 0 DHADHO CC[C@H](C)OCC[C@@H](C)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172320128 1033083805 /nfs/dbraw/zinc/08/38/05/1033083805.db2.gz VIUHVZOHWFWTSR-AOIWGVFYSA-N 1 3 306.494 3.863 20 0 DHADHO CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605381 1022837893 /nfs/dbraw/zinc/83/78/93/1022837893.db2.gz WJKFTOMZHIYWOG-QFBILLFUSA-N 1 3 319.493 3.564 20 0 DHADHO CCC[C@H](C)[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605381 1022837910 /nfs/dbraw/zinc/83/79/10/1022837910.db2.gz WJKFTOMZHIYWOG-QFBILLFUSA-N 1 3 319.493 3.564 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)C1 ZINC000163301951 1022908371 /nfs/dbraw/zinc/90/83/71/1022908371.db2.gz ZRNLUTNFICTNKH-NWDGAFQWSA-N 1 3 301.261 3.986 20 0 DHADHO CCCCCOc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1OC ZINC000414929631 1022927730 /nfs/dbraw/zinc/92/77/30/1022927730.db2.gz RWARYYMXBKNETO-DLBZAZTESA-N 1 3 320.477 3.624 20 0 DHADHO CC[C@@H](C)OCC[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001172326151 1033089552 /nfs/dbraw/zinc/08/95/52/1033089552.db2.gz CDNPJXVQAKSURX-DLBZAZTESA-N 1 3 310.526 3.824 20 0 DHADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cnc2ccsc2c1 ZINC000295959228 1023000742 /nfs/dbraw/zinc/00/07/42/1023000742.db2.gz MVXRZUDFTXYQKD-JZIBPQBNSA-N 1 3 301.459 3.572 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(F)cc2CSC)[C@H](C)C1 ZINC000167113356 1023030954 /nfs/dbraw/zinc/03/09/54/1023030954.db2.gz YGDCTWNWNVRMHE-CXAGYDPISA-N 1 3 310.482 3.509 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000643514098 1033104816 /nfs/dbraw/zinc/10/48/16/1033104816.db2.gz XSQFYKMACXZDES-ADLMAVQZSA-N 1 3 302.368 3.762 20 0 DHADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660651541 1023363157 /nfs/dbraw/zinc/36/31/57/1023363157.db2.gz AWTBADMHQOJRLR-MRXNPFEDSA-N 1 3 312.379 3.623 20 0 DHADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660651541 1023363159 /nfs/dbraw/zinc/36/31/59/1023363159.db2.gz AWTBADMHQOJRLR-MRXNPFEDSA-N 1 3 312.379 3.623 20 0 DHADHO Cc1csc2sc(CN3CC[C@@H]([NH3+])[C@@H](F)CC3)c(C)c12 ZINC001206185007 1033486437 /nfs/dbraw/zinc/48/64/37/1033486437.db2.gz KKWCLVDCJAQGAE-NWDGAFQWSA-N 1 3 312.479 3.841 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cccc3c2OC(C)(C)C3)[C@@H](C)C1 ZINC000538717384 1033142097 /nfs/dbraw/zinc/14/20/97/1033142097.db2.gz XNCSCBROGDHXDS-YJBOKZPZSA-N 1 3 316.489 3.562 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)[C@@H](C)C1 ZINC000538717384 1033142107 /nfs/dbraw/zinc/14/21/07/1033142107.db2.gz XNCSCBROGDHXDS-YJBOKZPZSA-N 1 3 316.489 3.562 20 0 DHADHO C[C@@H]1CC[C@@H]([NH+]2CCC(N)(Cc3ccccc3)CC2)C[C@@H]1C ZINC001172368512 1033149568 /nfs/dbraw/zinc/14/95/68/1033149568.db2.gz ITPBBRJPWACPOL-ZIFCJYIRSA-N 1 3 300.490 3.847 20 0 DHADHO Cc1nc(-c2ccccc2)sc1[C@H](C)NCCC(C)(C)[NH3+] ZINC000925740049 1023847531 /nfs/dbraw/zinc/84/75/31/1023847531.db2.gz GPQHODMTQCKFLW-LBPRGKRZSA-N 1 3 303.475 3.897 20 0 DHADHO C[C@H](NCC1CC[NH+](CC2CC2)CC1)c1cc(F)ccc1F ZINC000658358719 1023956458 /nfs/dbraw/zinc/95/64/58/1023956458.db2.gz XMRXHVVMORJVEZ-ZDUSSCGKSA-N 1 3 308.416 3.737 20 0 DHADHO C[C@@H](c1ccc(F)c(F)c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291132 1024072276 /nfs/dbraw/zinc/07/22/76/1024072276.db2.gz BKOWUSNGAOPVGE-XJKSGUPXSA-N 1 3 308.416 3.737 20 0 DHADHO COc1cccc2c1CC[C@H]2NCc1cccc(C[NH+](C)C)c1 ZINC000268777710 1024158202 /nfs/dbraw/zinc/15/82/02/1024158202.db2.gz WHLRPLCGTUPONA-LJQANCHMSA-N 1 3 310.441 3.534 20 0 DHADHO Cc1ccc([C@H](C)NCC2([NH+]3CCCC3)CCOCC2)c(C)c1 ZINC000268870894 1024184593 /nfs/dbraw/zinc/18/45/93/1024184593.db2.gz KEOQKEGBEDFRDY-SFHVURJKSA-N 1 3 316.489 3.599 20 0 DHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000268883378 1024186337 /nfs/dbraw/zinc/18/63/37/1024186337.db2.gz FPMBPVYXBZMTFN-HNNXBMFYSA-N 1 3 302.462 3.632 20 0 DHADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCc3c2cccc3OC)c1 ZINC000268925116 1024196391 /nfs/dbraw/zinc/19/63/91/1024196391.db2.gz RJZINFMZSGUMIK-HXUWFJFHSA-N 1 3 324.468 3.924 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3c2cccc3OC)c1 ZINC000268925116 1024196401 /nfs/dbraw/zinc/19/64/01/1024196401.db2.gz RJZINFMZSGUMIK-HXUWFJFHSA-N 1 3 324.468 3.924 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883164023 1024263675 /nfs/dbraw/zinc/26/36/75/1024263675.db2.gz SHQZNIWQYXKMHH-IBGZPJMESA-N 1 3 322.468 3.615 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccccc3)CC2)C1 ZINC000531677154 1024267193 /nfs/dbraw/zinc/26/71/93/1024267193.db2.gz XLFNSCYIUOMAHA-YLJYHZDGSA-N 1 3 300.490 3.862 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccsc1 ZINC000453173078 1024382263 /nfs/dbraw/zinc/38/22/63/1024382263.db2.gz YNBAGMCLFNIPSW-BZSNNMDCSA-N 1 3 322.518 3.557 20 0 DHADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)CCCc2cccnc2)C1 ZINC000453181969 1024384889 /nfs/dbraw/zinc/38/48/89/1024384889.db2.gz WRNKNCJBDVWXPN-ICSRJNTNSA-N 1 3 317.521 3.750 20 0 DHADHO C[C@H](CCc1ccsc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663464675 1024405251 /nfs/dbraw/zinc/40/52/51/1024405251.db2.gz FXDHHHIGBKKZFE-QAPCUYQASA-N 1 3 306.519 3.781 20 0 DHADHO C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466458 1024405792 /nfs/dbraw/zinc/40/57/92/1024405792.db2.gz TZAAELXVVNEVMR-XLIONFOSSA-N 1 3 315.505 3.504 20 0 DHADHO Cc1ccc(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)o1 ZINC000531864596 1024407006 /nfs/dbraw/zinc/40/70/06/1024407006.db2.gz ONNZKQJNBNEFBX-HZPDHXFCSA-N 1 3 312.457 3.834 20 0 DHADHO Cc1ccc(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)o1 ZINC000531864597 1024407714 /nfs/dbraw/zinc/40/77/14/1024407714.db2.gz ONNZKQJNBNEFBX-IGOJGBNBSA-N 1 3 312.457 3.834 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467914 1024407841 /nfs/dbraw/zinc/40/78/41/1024407841.db2.gz ILFHQXBFEWDZOS-LPHOPBHVSA-N 1 3 318.480 3.858 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000663467107 1024408646 /nfs/dbraw/zinc/40/86/46/1024408646.db2.gz ZOXIAUUMHIRHLW-XOYOTBSWSA-N 1 3 318.530 3.952 20 0 DHADHO CC(C)COCC[C@@H](C)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001172454724 1033209736 /nfs/dbraw/zinc/20/97/36/1033209736.db2.gz BSFGFTFABJRTPI-IEBWSBKVSA-N 1 3 306.494 3.720 20 0 DHADHO C[C@@H]1[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C[C@@H]1c1ccccc1 ZINC000663472171 1024428284 /nfs/dbraw/zinc/42/82/84/1024428284.db2.gz ZFUIZPHYQUIAQP-AGKXRFJRSA-N 1 3 312.501 3.890 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC000925777860 1024430271 /nfs/dbraw/zinc/43/02/71/1024430271.db2.gz HPRKTINMCJLNAD-GXFFZTMASA-N 1 3 322.321 3.601 20 0 DHADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883424463 1024434446 /nfs/dbraw/zinc/43/44/46/1024434446.db2.gz TWQWECCLYQQZON-OLPBJYBYSA-N 1 3 314.473 3.641 20 0 DHADHO CC(C)OCC[C@@H](C)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172459788 1033213616 /nfs/dbraw/zinc/21/36/16/1033213616.db2.gz LXBQRACBUMEGED-QGZVFWFLSA-N 1 3 310.526 3.919 20 0 DHADHO CC(C)OCC[C@@H](C)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172459788 1033213621 /nfs/dbraw/zinc/21/36/21/1033213621.db2.gz LXBQRACBUMEGED-QGZVFWFLSA-N 1 3 310.526 3.919 20 0 DHADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(F)cn1 ZINC000271268688 1024480553 /nfs/dbraw/zinc/48/05/53/1024480553.db2.gz AFXZIBXLQHJUKX-BZUAXINKSA-N 1 3 307.457 3.629 20 0 DHADHO Fc1ccc([C@@H](N[C@@H]2CC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC000643536502 1024538627 /nfs/dbraw/zinc/53/86/27/1024538627.db2.gz ULZZIXDZNABTRE-MOPGFXCFSA-N 1 3 310.416 3.647 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCC(F)(F)F)CC1 ZINC000532164906 1024567448 /nfs/dbraw/zinc/56/74/48/1024567448.db2.gz JVIGUANBCSZXNT-CQSZACIVSA-N 1 3 306.416 3.915 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCC(F)(F)F)CC1 ZINC000532164906 1024567455 /nfs/dbraw/zinc/56/74/55/1024567455.db2.gz JVIGUANBCSZXNT-CQSZACIVSA-N 1 3 306.416 3.915 20 0 DHADHO Cc1ccc([C@H]2OCCC[C@H]2NC2CC[NH+](C(C)C)CC2)cc1 ZINC000532235241 1024587813 /nfs/dbraw/zinc/58/78/13/1024587813.db2.gz SPNMIQTWTYHJMS-WOJBJXKFSA-N 1 3 316.489 3.678 20 0 DHADHO CC[C@@H]1C[C@H]([NH+]2CCC(N)(c3ccccc3Cl)CC2)CCO1 ZINC001170192261 1024686528 /nfs/dbraw/zinc/68/65/28/1024686528.db2.gz KCAFTVQPKYJFQT-HUUCEWRRSA-N 1 3 322.880 3.547 20 0 DHADHO CC[C@H]1C[C@H](N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CCO1 ZINC001170189969 1024686936 /nfs/dbraw/zinc/68/69/36/1024686936.db2.gz CNEBPBMCXJKLTE-SJORKVTESA-N 1 3 322.880 3.547 20 0 DHADHO CCN(CC)CCC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC001170387220 1024762246 /nfs/dbraw/zinc/76/22/46/1024762246.db2.gz RTOJYCKXYFLXNT-OALUTQOASA-N 1 3 318.505 3.692 20 0 DHADHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000162841969 1024900569 /nfs/dbraw/zinc/90/05/69/1024900569.db2.gz KMUPFGKPIIVQSE-FMKPAKJESA-N 1 3 310.507 3.597 20 0 DHADHO Cn1cccc1C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000353580887 1025137330 /nfs/dbraw/zinc/13/73/30/1025137330.db2.gz ZJIDRADKSMDMGG-OAQYLSRUSA-N 1 3 323.484 3.513 20 0 DHADHO Cn1cccc1C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000353580887 1025137334 /nfs/dbraw/zinc/13/73/34/1025137334.db2.gz ZJIDRADKSMDMGG-OAQYLSRUSA-N 1 3 323.484 3.513 20 0 DHADHO CC(C)[N@H+](CCCN)[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172574700 1033269941 /nfs/dbraw/zinc/26/99/41/1033269941.db2.gz CWJAGXHMSNQJEK-GFCCVEGCSA-N 1 3 318.839 3.999 20 0 DHADHO CC(C)[N@@H+](CCCN)[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172574700 1033269951 /nfs/dbraw/zinc/26/99/51/1033269951.db2.gz CWJAGXHMSNQJEK-GFCCVEGCSA-N 1 3 318.839 3.999 20 0 DHADHO Cc1ccncc1CNCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000279836146 1025281595 /nfs/dbraw/zinc/28/15/95/1025281595.db2.gz HGNFJHNSXGFPBI-KRWDZBQOSA-N 1 3 323.484 3.912 20 0 DHADHO Cc1ccncc1CNCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000279836146 1025281608 /nfs/dbraw/zinc/28/16/08/1025281608.db2.gz HGNFJHNSXGFPBI-KRWDZBQOSA-N 1 3 323.484 3.912 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)CN1CCCCC1 ZINC000885927129 1025407408 /nfs/dbraw/zinc/40/74/08/1025407408.db2.gz NLQLOSVCETWJQC-MSOLQXFVSA-N 1 3 308.510 3.580 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCCCN[C@@H]1CCc2c1nccc2Cl ZINC000924684862 1033283147 /nfs/dbraw/zinc/28/31/47/1033283147.db2.gz GIIJJIOLTWXAFS-WMLDXEAASA-N 1 3 321.896 3.967 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCCCN[C@@H]1CCc2c1nccc2Cl ZINC000924684862 1033283160 /nfs/dbraw/zinc/28/31/60/1033283160.db2.gz GIIJJIOLTWXAFS-WMLDXEAASA-N 1 3 321.896 3.967 20 0 DHADHO CCN1CCC([N@H+](C)Cc2cnc(-c3ccsc3)s2)CC1 ZINC000125240456 1025462141 /nfs/dbraw/zinc/46/21/41/1025462141.db2.gz WJIOBERWZSGQGS-UHFFFAOYSA-N 1 3 321.515 3.788 20 0 DHADHO CCN1CCC([N@@H+](C)Cc2cnc(-c3ccsc3)s2)CC1 ZINC000125240456 1025462153 /nfs/dbraw/zinc/46/21/53/1025462153.db2.gz WJIOBERWZSGQGS-UHFFFAOYSA-N 1 3 321.515 3.788 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(OC)cc1 ZINC000125827548 1025493320 /nfs/dbraw/zinc/49/33/20/1025493320.db2.gz VTPCHBFBEFTRGS-APWZRJJASA-N 1 3 304.478 3.856 20 0 DHADHO C[C@H](CCN(C)CC[C@@H]1CCCC[N@@H+]1C)OCc1ccccc1 ZINC000354870398 1025531272 /nfs/dbraw/zinc/53/12/72/1025531272.db2.gz ZFUBOZQOXLPMPI-QUCCMNQESA-N 1 3 318.505 3.788 20 0 DHADHO C[C@H](CCN(C)CC[C@@H]1CCCC[N@H+]1C)OCc1ccccc1 ZINC000354870398 1025531279 /nfs/dbraw/zinc/53/12/79/1025531279.db2.gz ZFUBOZQOXLPMPI-QUCCMNQESA-N 1 3 318.505 3.788 20 0 DHADHO CN(C)CC1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CCCC1 ZINC000355031827 1025587057 /nfs/dbraw/zinc/58/70/57/1025587057.db2.gz BDCJYIVOKWJJCM-KRWDZBQOSA-N 1 3 320.452 3.751 20 0 DHADHO CC[C@H](N[C@@H](C)CC[NH+](C)C)c1cccc(Br)c1 ZINC000049554188 1025713760 /nfs/dbraw/zinc/71/37/60/1025713760.db2.gz WBLKIUHYGOSWPT-WFASDCNBSA-N 1 3 313.283 3.830 20 0 DHADHO CCCCN1CCC([NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806136122 1025777415 /nfs/dbraw/zinc/77/74/15/1025777415.db2.gz SEAVTABBXUCBTK-HNNXBMFYSA-N 1 3 307.869 3.576 20 0 DHADHO CCC1(N2CCC2)CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000886719886 1025829246 /nfs/dbraw/zinc/82/92/46/1025829246.db2.gz KUERHLRZBOTUDJ-HNNXBMFYSA-N 1 3 300.437 3.762 20 0 DHADHO [NH3+]C1(c2ccccc2C(F)(F)F)CCN([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917249 1025924210 /nfs/dbraw/zinc/92/42/10/1025924210.db2.gz LJWUGNCGUYGDJI-BTTYYORXSA-N 1 3 324.390 3.754 20 0 DHADHO COCCC[C@@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000290158826 1026122200 /nfs/dbraw/zinc/12/22/00/1026122200.db2.gz LUCCKZRXQPQIGT-UYAOXDASSA-N 1 3 318.505 3.693 20 0 DHADHO CC1CC[NH+](Cc2ccc(CNCc3ccc(O)cc3)cc2)CC1 ZINC000236635487 1026160301 /nfs/dbraw/zinc/16/03/01/1026160301.db2.gz YEBDZUOWQAFAMR-UHFFFAOYSA-N 1 3 324.468 3.914 20 0 DHADHO Cc1ccc(CNCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000513488556 1026521275 /nfs/dbraw/zinc/52/12/75/1026521275.db2.gz XGCJGTUENMGUTE-UYAOXDASSA-N 1 3 323.484 3.780 20 0 DHADHO Cc1ccc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000513488556 1026521284 /nfs/dbraw/zinc/52/12/84/1026521284.db2.gz XGCJGTUENMGUTE-UYAOXDASSA-N 1 3 323.484 3.780 20 0 DHADHO Cc1ccc(CNCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000513544746 1026538222 /nfs/dbraw/zinc/53/82/22/1026538222.db2.gz LWNAGSUBTSNWDX-VQIMIIECSA-N 1 3 312.457 3.978 20 0 DHADHO Cc1ccc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000513544746 1026538230 /nfs/dbraw/zinc/53/82/30/1026538230.db2.gz LWNAGSUBTSNWDX-VQIMIIECSA-N 1 3 312.457 3.978 20 0 DHADHO CN1CC[C@H]([NH2+]CCOc2ccc3ccccc3c2)[C@H]2CCC[C@@H]21 ZINC000513656535 1026551567 /nfs/dbraw/zinc/55/15/67/1026551567.db2.gz UVXAFUJZCYACAO-HKBOAZHASA-N 1 3 324.468 3.681 20 0 DHADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1nccc2ccccc21 ZINC000809738907 1026610845 /nfs/dbraw/zinc/61/08/45/1026610845.db2.gz OTMLNAOSDIQAKL-UHFFFAOYSA-N 1 3 319.452 3.928 20 0 DHADHO Fc1cccc(F)c1CN(CC[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000420310503 1026800158 /nfs/dbraw/zinc/80/01/58/1026800158.db2.gz VCLHBEMDVKQTHU-CQSZACIVSA-N 1 3 308.416 3.709 20 0 DHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2ccccc2C)cc1 ZINC000420328377 1026806013 /nfs/dbraw/zinc/80/60/13/1026806013.db2.gz ZGPBULHGURVEDE-RXVVDRJESA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2ccccc2C)cc1 ZINC000420328377 1026806026 /nfs/dbraw/zinc/80/60/26/1026806026.db2.gz ZGPBULHGURVEDE-RXVVDRJESA-N 1 3 324.468 3.883 20 0 DHADHO C[C@H](c1ccc(Cl)cc1Cl)N(C)CC[C@@H]1CC[NH2+]C1 ZINC000420326758 1026806571 /nfs/dbraw/zinc/80/65/71/1026806571.db2.gz XPHBDTCEFIEGIB-NEPJUHHUSA-N 1 3 301.261 3.986 20 0 DHADHO C[NH2+]CCCN1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000420377550 1026810063 /nfs/dbraw/zinc/81/00/63/1026810063.db2.gz SLKIWIRFZMYGOY-SFTDATJTSA-N 1 3 324.468 3.835 20 0 DHADHO COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C2CC2)c(F)c1 ZINC000421854897 1027068727 /nfs/dbraw/zinc/06/87/27/1027068727.db2.gz LKYFJWRCEUZIEV-QBXFWIFKSA-N 1 3 318.436 3.500 20 0 DHADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000561955064 1027141462 /nfs/dbraw/zinc/14/14/62/1027141462.db2.gz OVOANQDZNMILJP-UYAOXDASSA-N 1 3 302.506 3.823 20 0 DHADHO C[C@H](CN1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1cccc(Cl)c1 ZINC000561982346 1027159690 /nfs/dbraw/zinc/15/96/90/1027159690.db2.gz MNCHLBZWUNTZKZ-QGPMSJSTSA-N 1 3 306.881 3.860 20 0 DHADHO C[C@H](CN1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1cccc(Cl)c1 ZINC000561982346 1027159698 /nfs/dbraw/zinc/15/96/98/1027159698.db2.gz MNCHLBZWUNTZKZ-QGPMSJSTSA-N 1 3 306.881 3.860 20 0 DHADHO NCCC[N@H+](C1CCCCC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659468 1027172727 /nfs/dbraw/zinc/17/27/27/1027172727.db2.gz PQTFEGBJWQWCJH-QGZVFWFLSA-N 1 3 322.443 3.806 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659468 1027172736 /nfs/dbraw/zinc/17/27/36/1027172736.db2.gz PQTFEGBJWQWCJH-QGZVFWFLSA-N 1 3 322.443 3.806 20 0 DHADHO Cc1ccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422700805 1027296554 /nfs/dbraw/zinc/29/65/54/1027296554.db2.gz CIZZSJNZVVOYSH-LDQXTDLNSA-N 1 3 322.452 3.902 20 0 DHADHO Cc1cccc2[nH]cc(CCN[C@@H]3C[C@H]([NH3+])c4ccccc43)c21 ZINC000422723201 1027307822 /nfs/dbraw/zinc/30/78/22/1027307822.db2.gz ZVWGIVURZAOIHK-PKOBYXMFSA-N 1 3 305.425 3.753 20 0 DHADHO CC(C)(C)[C@@H]1OCCC[C@@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422754856 1027312876 /nfs/dbraw/zinc/31/28/76/1027312876.db2.gz GGMZNSWVLAAXHF-XFKAJCMBSA-N 1 3 302.462 3.562 20 0 DHADHO Clc1ccc(SCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422772187 1027314760 /nfs/dbraw/zinc/31/47/60/1027314760.db2.gz RVAGQGGMVYECHQ-BBWFWOEESA-N 1 3 324.921 3.942 20 0 DHADHO Clc1ccc(SCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422772189 1027316150 /nfs/dbraw/zinc/31/61/50/1027316150.db2.gz RVAGQGGMVYECHQ-GVDBMIGSSA-N 1 3 324.921 3.942 20 0 DHADHO Cc1cccc2c(CC[NH2+][C@@H](C)c3ccc(CN)nc3C)c[nH]c21 ZINC000422782737 1027317427 /nfs/dbraw/zinc/31/74/27/1027317427.db2.gz MBCYNDAHFOORPP-AWEZNQCLSA-N 1 3 322.456 3.532 20 0 DHADHO c1ccc2nc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000422777262 1027319155 /nfs/dbraw/zinc/31/91/55/1027319155.db2.gz FFSWUTQTVRYVEF-SESVDKBCSA-N 1 3 323.484 3.678 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])cc2)cs1 ZINC000422800914 1027325638 /nfs/dbraw/zinc/32/56/38/1027325638.db2.gz DFWAGJFIOGNPPY-XQQFMLRXSA-N 1 3 303.475 3.895 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2C[C@H](N)c3ccccc32)cc1 ZINC000422803938 1027325742 /nfs/dbraw/zinc/32/57/42/1027325742.db2.gz DOHTYCVHDYCMPM-TUFLPTIASA-N 1 3 322.452 3.950 20 0 DHADHO c1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790991 1027332711 /nfs/dbraw/zinc/33/27/11/1027332711.db2.gz CSHLVFXQBCSDFQ-QKNQBKEWSA-N 1 3 320.436 3.519 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000422833364 1027334423 /nfs/dbraw/zinc/33/44/23/1027334423.db2.gz GOIQYGOEJXCRDK-HBMCJLEFSA-N 1 3 308.469 3.730 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000422833365 1027336244 /nfs/dbraw/zinc/33/62/44/1027336244.db2.gz GOIQYGOEJXCRDK-PCCBWWKXSA-N 1 3 308.469 3.730 20 0 DHADHO Cc1ccc(SC2(CN[C@H]3CCC[C@@H]3[NH3+])CCCC2)cc1 ZINC000422837999 1027338119 /nfs/dbraw/zinc/33/81/19/1027338119.db2.gz NLKXHZCNINOJJK-IRXDYDNUSA-N 1 3 304.503 3.869 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924958208 1027340004 /nfs/dbraw/zinc/34/00/04/1027340004.db2.gz CWHQIIIFXALOOI-IRXDYDNUSA-N 1 3 318.505 3.685 20 0 DHADHO C[C@@H](CCCC[NH3+])N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422885205 1027349232 /nfs/dbraw/zinc/34/92/32/1027349232.db2.gz GJYCRBIXPNCBNV-KSSFIOAISA-N 1 3 317.864 3.932 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(OCc2ccccc2)cc1 ZINC000422885060 1027351356 /nfs/dbraw/zinc/35/13/56/1027351356.db2.gz TWPZNANUNNSJIF-UWJYYQICSA-N 1 3 324.468 3.743 20 0 DHADHO COc1ccccc1Oc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422903248 1027355502 /nfs/dbraw/zinc/35/55/02/1027355502.db2.gz FGKBAIFOIRAYGL-GJZGRUSLSA-N 1 3 314.429 3.703 20 0 DHADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)c1cccc(C(F)(F)F)c1 ZINC000422910299 1027358621 /nfs/dbraw/zinc/35/86/21/1027358621.db2.gz QGDWCQWYZJRYJL-WFASDCNBSA-N 1 3 314.395 3.700 20 0 DHADHO c1c2ccccc2oc1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422923153 1027360832 /nfs/dbraw/zinc/36/08/32/1027360832.db2.gz RHBTWCXSLFCIAV-IPMKNSEASA-N 1 3 312.457 3.876 20 0 DHADHO C[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@H]1Oc2ccccc2[C@H]1C ZINC000422922253 1027361389 /nfs/dbraw/zinc/36/13/89/1027361389.db2.gz SIPSWSXQTHQWQV-JFYDQMMZSA-N 1 3 308.425 3.674 20 0 DHADHO Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000422942263 1027368093 /nfs/dbraw/zinc/36/80/93/1027368093.db2.gz WHUAVANGOLQRMV-XQQFMLRXSA-N 1 3 303.475 3.895 20 0 DHADHO COc1ccc(C(C)(C)CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422940647 1027368217 /nfs/dbraw/zinc/36/82/17/1027368217.db2.gz HIMUXEUCYZZBJQ-RTBURBONSA-N 1 3 310.441 3.707 20 0 DHADHO Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000422942262 1027369351 /nfs/dbraw/zinc/36/93/51/1027369351.db2.gz WHUAVANGOLQRMV-UPJWGTAASA-N 1 3 303.475 3.895 20 0 DHADHO CC(C)(CO)[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422965876 1027372819 /nfs/dbraw/zinc/37/28/19/1027372819.db2.gz MHMQMYQYKNFTCT-AABGKKOBSA-N 1 3 324.468 3.523 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422964781 1027373070 /nfs/dbraw/zinc/37/30/70/1027373070.db2.gz JLHLHOUOLNIVRD-KRWDZBQOSA-N 1 3 323.484 3.864 20 0 DHADHO Cc1cc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1F ZINC000422921773 1027373878 /nfs/dbraw/zinc/37/38/78/1027373878.db2.gz QXQWHDOHDNQMDW-OLZOCXBDSA-N 1 3 301.409 3.708 20 0 DHADHO COc1cc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])ccc1OCC(C)C ZINC000422945345 1027375271 /nfs/dbraw/zinc/37/52/71/1027375271.db2.gz UEFABTVUUGOJDL-ZNMIVQPWSA-N 1 3 308.466 3.506 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422981479 1027385477 /nfs/dbraw/zinc/38/54/77/1027385477.db2.gz OHXMTGXDWKRVJZ-IHPCNDPISA-N 1 3 316.489 3.578 20 0 DHADHO Cc1cccc(O[C@@H]2CCCC[C@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423000839 1027386441 /nfs/dbraw/zinc/38/64/41/1027386441.db2.gz VTJFWKPCAPHTHH-OZEPZQORSA-N 1 3 314.473 3.558 20 0 DHADHO C(=C\c1ccccc1)\CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422983553 1027387527 /nfs/dbraw/zinc/38/75/27/1027387527.db2.gz ZXKUKINPGWHDFY-XCGYYHPWSA-N 1 3 320.436 3.545 20 0 DHADHO CCOc1ccc(Cl)cc1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423008611 1027389392 /nfs/dbraw/zinc/38/93/92/1027389392.db2.gz ARELBFXBFWVDOI-CVEARBPZSA-N 1 3 310.869 3.531 20 0 DHADHO COc1ccc(C[C@H](C)CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423013891 1027389728 /nfs/dbraw/zinc/38/97/28/1027389728.db2.gz NSRHMHUMCMHNHH-KPOBHBOGSA-N 1 3 310.441 3.608 20 0 DHADHO C[C@H](NCC1(c2c(Cl)cccc2Cl)CCC1)C1C[NH2+]C1 ZINC000423087696 1027411627 /nfs/dbraw/zinc/41/16/27/1027411627.db2.gz OQOLGRKCRDNIDA-NSHDSACASA-N 1 3 313.272 3.613 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000423108566 1027425036 /nfs/dbraw/zinc/42/50/36/1027425036.db2.gz TZEJQYLJGDLIOQ-MYWSLZCHSA-N 1 3 309.457 3.620 20 0 DHADHO COc1ccc([C@@H](Cc2ccccc2)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000423128678 1027425718 /nfs/dbraw/zinc/42/57/18/1027425718.db2.gz WENPWUARWOXWDO-TZIWHRDSSA-N 1 3 324.468 3.711 20 0 DHADHO CSc1ccccc1[C@H](C)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423112982 1027428763 /nfs/dbraw/zinc/42/87/63/1027428763.db2.gz XXCZVQXNZKUGNG-JSGCOSHPSA-N 1 3 315.486 3.982 20 0 DHADHO FC(F)(F)C1(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCC1 ZINC000423113324 1027429223 /nfs/dbraw/zinc/42/92/23/1027429223.db2.gz UCDMUTJQBIIILC-GJZGRUSLSA-N 1 3 312.379 3.802 20 0 DHADHO Cc1cc(OCCC[C@@H](C)[NH2+]C2CCNCC2)ccc1Cl ZINC000423175774 1027440676 /nfs/dbraw/zinc/44/06/76/1027440676.db2.gz BHURXPCUTPJIFZ-CQSZACIVSA-N 1 3 310.869 3.538 20 0 DHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC[C@H](C)C[NH3+] ZINC000423293594 1027486805 /nfs/dbraw/zinc/48/68/05/1027486805.db2.gz AGJAAGPUBDTDOH-CHWSQXEVSA-N 1 3 303.475 3.672 20 0 DHADHO C[C@H]([NH2+][C@H](CN)C1CC1)c1cc2cc(Br)ccc2o1 ZINC000423273488 1027490967 /nfs/dbraw/zinc/49/09/67/1027490967.db2.gz JAMPFLIWDQREPJ-TVQRCGJNSA-N 1 3 323.234 3.583 20 0 DHADHO C[C@H]1CCc2c(F)cccc2[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295956317 1027501526 /nfs/dbraw/zinc/50/15/26/1027501526.db2.gz MQSYMPXZYZMROT-DZRCSXTASA-N 1 3 302.437 3.664 20 0 DHADHO C[C@H]1CCc2c(F)cccc2[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295956317 1027501540 /nfs/dbraw/zinc/50/15/40/1027501540.db2.gz MQSYMPXZYZMROT-DZRCSXTASA-N 1 3 302.437 3.664 20 0 DHADHO Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423374208 1027517177 /nfs/dbraw/zinc/51/71/77/1027517177.db2.gz IBAOJKHKEZRBOK-LJQANCHMSA-N 1 3 308.425 3.602 20 0 DHADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423369381 1027523824 /nfs/dbraw/zinc/52/38/24/1027523824.db2.gz BVURZJLYQJCOHD-XJKCOSOUSA-N 1 3 314.395 3.757 20 0 DHADHO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)[C@H](C)N)CCC3)cc1 ZINC000423447427 1027545579 /nfs/dbraw/zinc/54/55/79/1027545579.db2.gz OZXNMYXGEMFKSU-GZBFAFLISA-N 1 3 315.486 3.821 20 0 DHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](C)[C@H](C)N ZINC000423452107 1027546737 /nfs/dbraw/zinc/54/67/37/1027546737.db2.gz VYMMTUZGTWOUFL-AXFHLTTASA-N 1 3 307.438 3.644 20 0 DHADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423457049 1027553730 /nfs/dbraw/zinc/55/37/30/1027553730.db2.gz FFAHAUKHWWPGCJ-KGLIPLIRSA-N 1 3 319.449 3.654 20 0 DHADHO C[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000423483158 1027571370 /nfs/dbraw/zinc/57/13/70/1027571370.db2.gz YLGBXZMSXSQYEK-ZAAXVRCTSA-N 1 3 312.432 3.870 20 0 DHADHO C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1csc(-c2ccccc2F)n1 ZINC000423496201 1027573293 /nfs/dbraw/zinc/57/32/93/1027573293.db2.gz FZJQJTMGUHSKAB-XQQFMLRXSA-N 1 3 319.449 3.727 20 0 DHADHO COc1ccc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c(F)c1 ZINC000423517488 1027576732 /nfs/dbraw/zinc/57/67/32/1027576732.db2.gz YXLVHSWTZAFUTH-LIRRHRJNSA-N 1 3 316.420 3.965 20 0 DHADHO COc1ccc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1O ZINC000423524914 1027581525 /nfs/dbraw/zinc/58/15/25/1027581525.db2.gz XMUYPQCFKIZXKY-RHSMWYFYSA-N 1 3 314.429 3.532 20 0 DHADHO Cc1cc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)ccn1 ZINC000527532049 1027735423 /nfs/dbraw/zinc/73/54/23/1027735423.db2.gz AFZNGZPLQWSYBN-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1cc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)ccn1 ZINC000527532049 1027735440 /nfs/dbraw/zinc/73/54/40/1027735440.db2.gz AFZNGZPLQWSYBN-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@H]1OCCc2sccc21 ZINC000366527951 1028090487 /nfs/dbraw/zinc/09/04/87/1028090487.db2.gz JWVIGMQOPRDXEK-CXAGYDPISA-N 1 3 322.518 3.603 20 0 DHADHO Fc1ccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000368612673 1028384008 /nfs/dbraw/zinc/38/40/08/1028384008.db2.gz ICSVSUHULFAIKF-VGWMRTNUSA-N 1 3 322.855 3.942 20 0 DHADHO Fc1ccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000368612673 1028384015 /nfs/dbraw/zinc/38/40/15/1028384015.db2.gz ICSVSUHULFAIKF-VGWMRTNUSA-N 1 3 322.855 3.942 20 0 DHADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000368612672 1028386875 /nfs/dbraw/zinc/38/68/75/1028386875.db2.gz ICSVSUHULFAIKF-KLHDSHLOSA-N 1 3 322.855 3.942 20 0 DHADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000368612672 1028386894 /nfs/dbraw/zinc/38/68/94/1028386894.db2.gz ICSVSUHULFAIKF-KLHDSHLOSA-N 1 3 322.855 3.942 20 0 DHADHO CC(C)Oc1cccc(CN2CCCC23CC[NH+](C)CC3)c1 ZINC000368965162 1028425991 /nfs/dbraw/zinc/42/59/91/1028425991.db2.gz JDNUXSHBUMKDHG-UHFFFAOYSA-N 1 3 302.462 3.534 20 0 DHADHO CC(C)Oc1cccc(C[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC000368965162 1028426000 /nfs/dbraw/zinc/42/60/00/1028426000.db2.gz JDNUXSHBUMKDHG-UHFFFAOYSA-N 1 3 302.462 3.534 20 0 DHADHO CC(C)Oc1cccc(C[N@H+]2CCCC23CCN(C)CC3)c1 ZINC000368965162 1028426005 /nfs/dbraw/zinc/42/60/05/1028426005.db2.gz JDNUXSHBUMKDHG-UHFFFAOYSA-N 1 3 302.462 3.534 20 0 DHADHO C/C(=C/c1ccccc1OC(F)F)CN[C@H](C)CC[NH+](C)C ZINC000564415337 1028435695 /nfs/dbraw/zinc/43/56/95/1028435695.db2.gz NLIWUKAPFZFAOQ-YBEMTRGBSA-N 1 3 312.404 3.621 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccccc1)c1cncc(F)c1 ZINC000369854753 1028538491 /nfs/dbraw/zinc/53/84/91/1028538491.db2.gz ZVWBRAZLDHFANZ-ZSZQSSIHSA-N 1 3 313.420 3.564 20 0 DHADHO C[C@@H]1CCC[C@]1(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449344630 1028557038 /nfs/dbraw/zinc/55/70/38/1028557038.db2.gz RXZPRXPNPYBXML-UZLBHIALSA-N 1 3 324.553 3.806 20 0 DHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000565227003 1028559611 /nfs/dbraw/zinc/55/96/11/1028559611.db2.gz SWPBRYJDHYTVDG-IIDMSEBBSA-N 1 3 323.912 3.582 20 0 DHADHO Cc1cc(F)ccc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000815570017 1028564374 /nfs/dbraw/zinc/56/43/74/1028564374.db2.gz OFXMNJWJTCEJSI-ULQDDVLXSA-N 1 3 322.468 3.674 20 0 DHADHO Cc1cc(Cl)cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000565880751 1028648008 /nfs/dbraw/zinc/64/80/08/1028648008.db2.gz WOSSJRHVJLULAB-IYBDPMFKSA-N 1 3 324.896 3.627 20 0 DHADHO CN1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@H]1c1ccccc1 ZINC000371055072 1028665757 /nfs/dbraw/zinc/66/57/57/1028665757.db2.gz QGMFUEGPPYUTAI-VQIMIIECSA-N 1 3 316.395 3.747 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2c(C)nsc2C)CC1 ZINC000566849356 1028793297 /nfs/dbraw/zinc/79/32/97/1028793297.db2.gz YQBNRRYJZWJNIK-UHFFFAOYSA-N 1 3 309.523 3.704 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2c(C)nsc2C)CC1 ZINC000566849356 1028793311 /nfs/dbraw/zinc/79/33/11/1028793311.db2.gz YQBNRRYJZWJNIK-UHFFFAOYSA-N 1 3 309.523 3.704 20 0 DHADHO C[C@@H]1C[C@H](N[C@@H](c2cccnc2)C2CCCCC2)CC[N@@H+]1C ZINC000372064463 1028803265 /nfs/dbraw/zinc/80/32/65/1028803265.db2.gz DUFMAYYJJNUTQL-ATZDWAIDSA-N 1 3 301.478 3.775 20 0 DHADHO C[C@@H]1C[C@H](N[C@@H](c2cccnc2)C2CCCCC2)CC[N@H+]1C ZINC000372064463 1028803283 /nfs/dbraw/zinc/80/32/83/1028803283.db2.gz DUFMAYYJJNUTQL-ATZDWAIDSA-N 1 3 301.478 3.775 20 0 DHADHO C[C@@H]([NH2+]C1CCC2(CCCO2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000372688770 1028884434 /nfs/dbraw/zinc/88/44/34/1028884434.db2.gz ICKBJTXVUUOTCG-BUJABKPXSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H]([NH2+]C1CCC2(CCCO2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000372688769 1028884622 /nfs/dbraw/zinc/88/46/22/1028884622.db2.gz ICKBJTXVUUOTCG-BRJVHFRTSA-N 1 3 320.521 3.721 20 0 DHADHO CC(C)(C)c1ccc([C@H](O)C[NH2+][C@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000817894702 1029269731 /nfs/dbraw/zinc/26/97/31/1029269731.db2.gz QAJXOJMYFNFZTL-HSALFYBXSA-N 1 3 324.468 3.752 20 0 DHADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817960645 1029302680 /nfs/dbraw/zinc/30/26/80/1029302680.db2.gz OVZAAFHFNPLQOW-IMSIIYSGSA-N 1 3 316.276 3.744 20 0 DHADHO COc1ccnc([C@H](C)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000925227147 1029311152 /nfs/dbraw/zinc/31/11/52/1029311152.db2.gz BOLQUHQZDJZCAX-GTPINHCMSA-N 1 3 317.477 3.538 20 0 DHADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000629524231 1029357747 /nfs/dbraw/zinc/35/77/47/1029357747.db2.gz OMSKSDIBODPMQL-MRXNPFEDSA-N 1 3 310.441 3.512 20 0 DHADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(C2CCCCC2)cc1 ZINC000629524915 1029358498 /nfs/dbraw/zinc/35/84/98/1029358498.db2.gz WFYFLXAIGIPVLR-MRXNPFEDSA-N 1 3 316.489 3.893 20 0 DHADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCC1CCCCC1 ZINC000570366395 1029358905 /nfs/dbraw/zinc/35/89/05/1029358905.db2.gz ZKJBVMBUAZONGJ-CEXWTWQISA-N 1 3 308.510 3.530 20 0 DHADHO C[C@@H]1CCC[C@H](CCN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629562014 1029372747 /nfs/dbraw/zinc/37/27/47/1029372747.db2.gz MGRMLLPWLIRHBC-KBXIAJHMSA-N 1 3 306.416 3.662 20 0 DHADHO Cc1cc(C)cc(-c2ccc(C[NH2+]CC3(N)CCOCC3)cc2)c1 ZINC000629655690 1029409328 /nfs/dbraw/zinc/40/93/28/1029409328.db2.gz YAEKEAOFMNXSGG-UHFFFAOYSA-N 1 3 324.468 3.568 20 0 DHADHO CCc1ccc2nccc(N3CCC4(CCC[N@@H+]4C)CC3)c2c1 ZINC000450418803 1029466580 /nfs/dbraw/zinc/46/65/80/1029466580.db2.gz MXMKFBDAPGTIHB-UHFFFAOYSA-N 1 3 309.457 3.862 20 0 DHADHO CCc1ccc2nccc(N3CCC4(CCC[N@H+]4C)CC3)c2c1 ZINC000450418803 1029466583 /nfs/dbraw/zinc/46/65/83/1029466583.db2.gz MXMKFBDAPGTIHB-UHFFFAOYSA-N 1 3 309.457 3.862 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170948502 1029733510 /nfs/dbraw/zinc/73/35/10/1029733510.db2.gz HMUQJCJUGCOCGL-SOLBZPMBSA-N 1 3 318.480 3.641 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170948502 1029733513 /nfs/dbraw/zinc/73/35/13/1029733513.db2.gz HMUQJCJUGCOCGL-SOLBZPMBSA-N 1 3 318.480 3.641 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1CC(C)C ZINC000530207091 1029780323 /nfs/dbraw/zinc/78/03/23/1029780323.db2.gz DCNCYNZSLODGPN-HNNXBMFYSA-N 1 3 311.473 3.898 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(-c2ccccc2)s1 ZINC000530211984 1029784343 /nfs/dbraw/zinc/78/43/43/1029784343.db2.gz PPKHLFLAFIWARE-RHSMWYFYSA-N 1 3 300.471 3.893 20 0 DHADHO CC[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000530218709 1029786686 /nfs/dbraw/zinc/78/66/86/1029786686.db2.gz MZZLRJNQHZBRIB-YJBOKZPZSA-N 1 3 311.473 3.911 20 0 DHADHO CC[N@H+](Cc1ccccc1)C1CCN([C@H]2CCO[C@H](C)C2)CC1 ZINC001168128124 1029814636 /nfs/dbraw/zinc/81/46/36/1029814636.db2.gz NNVDKKNLIAMHFG-XLIONFOSSA-N 1 3 316.489 3.540 20 0 DHADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CCO[C@H](C)C2)CC1 ZINC001168128124 1029814638 /nfs/dbraw/zinc/81/46/38/1029814638.db2.gz NNVDKKNLIAMHFG-XLIONFOSSA-N 1 3 316.489 3.540 20 0 DHADHO CC[NH+]1CCC(N[C@H](C)c2cc3ccccc3c(OC)c2)CC1 ZINC000924569476 1030124388 /nfs/dbraw/zinc/12/43/88/1030124388.db2.gz HXCWIPMXGOANIZ-OAHLLOKOSA-N 1 3 312.457 3.983 20 0 DHADHO CC[NH+]1CCC(CN[C@@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000924955301 1030235032 /nfs/dbraw/zinc/23/50/32/1030235032.db2.gz NLKCEKOXHFVDLC-NRFANRHFSA-N 1 3 323.484 3.801 20 0 DHADHO C[C@H](CCc1cccnc1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000866338251 1030239090 /nfs/dbraw/zinc/23/90/90/1030239090.db2.gz YYRQUGNIYYXAJV-LMMKCTJWSA-N 1 3 315.505 3.645 20 0 DHADHO Cc1nc(-c2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)o2)cs1 ZINC000358023912 1030284493 /nfs/dbraw/zinc/28/44/93/1030284493.db2.gz YQOWRISZULXGRE-SLEUVZQESA-N 1 3 319.474 3.530 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3sccc32)C[C@@H](C)O1 ZINC000358040691 1030294540 /nfs/dbraw/zinc/29/45/40/1030294540.db2.gz SKJWIKHCGAAUAW-BFYDXBDKSA-N 1 3 322.518 3.605 20 0 DHADHO c1cnc2c(c1)cccc2CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925532004 1030388936 /nfs/dbraw/zinc/38/89/36/1030388936.db2.gz UIBRDVQONIJBDP-UXHICEINSA-N 1 3 323.484 3.535 20 0 DHADHO CCCC[C@H]1C[C@@H]([NH2+]CCCCCCCCCCO)CCN1 ZINC001246285958 1030408726 /nfs/dbraw/zinc/40/87/26/1030408726.db2.gz GODYTDIZKXEJQZ-OALUTQOASA-N 1 3 312.542 4.000 20 0 DHADHO [NH3+]CCC[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1ccccc1 ZINC000925645867 1030432280 /nfs/dbraw/zinc/43/22/80/1030432280.db2.gz UHOHLHBTTRFSEL-MSOLQXFVSA-N 1 3 314.404 3.719 20 0 DHADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](c3ccc(Cl)cc3)C1)[NH2+]2 ZINC000925653914 1030440370 /nfs/dbraw/zinc/44/03/70/1030440370.db2.gz CBLHFKLCMJJWBL-POEZBYADSA-N 1 3 304.865 3.705 20 0 DHADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](c3ccc(Cl)cc3)C1)[NH2+]2 ZINC000925653913 1030440726 /nfs/dbraw/zinc/44/07/26/1030440726.db2.gz CBLHFKLCMJJWBL-OKKOPOJRSA-N 1 3 304.865 3.705 20 0 DHADHO [NH3+][C@@H]1C[C@H](N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C12CCC2 ZINC000925656818 1030442792 /nfs/dbraw/zinc/44/27/92/1030442792.db2.gz PNPJUAFSDHADBF-MIGQKNRLSA-N 1 3 324.390 3.811 20 0 DHADHO [NH3+][C@@H]1C[C@H](N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C12CCC2 ZINC000925657931 1030443803 /nfs/dbraw/zinc/44/38/03/1030443803.db2.gz VJDQDRQGSYSKFW-MIGQKNRLSA-N 1 3 324.390 3.811 20 0 DHADHO C[C@@H](NCCC(C)(C)[NH3+])c1ccc(SCC(F)F)cc1 ZINC000925739619 1030471201 /nfs/dbraw/zinc/47/12/01/1030471201.db2.gz ANBRSRQSZTYHAU-LLVKDONJSA-N 1 3 302.434 3.822 20 0 DHADHO C[C@@H]([NH3+])[C@@H](NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccccc1 ZINC000925733685 1030470397 /nfs/dbraw/zinc/47/03/97/1030470397.db2.gz LIJPSHHNVZLJNE-SLBVQIDZSA-N 1 3 312.379 3.809 20 0 DHADHO FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925737612 1030471118 /nfs/dbraw/zinc/47/11/18/1030471118.db2.gz RXDDRNRBCFFMOJ-OWCLPIDISA-N 1 3 300.437 3.570 20 0 DHADHO FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925737611 1030471506 /nfs/dbraw/zinc/47/15/06/1030471506.db2.gz RXDDRNRBCFFMOJ-OAGGEKHMSA-N 1 3 300.437 3.570 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCCc2ccc3ncccc3c2)c2ccccc21 ZINC000925814690 1030506895 /nfs/dbraw/zinc/50/68/95/1030506895.db2.gz OJZFTBJOKACNFO-QUCCMNQESA-N 1 3 303.409 3.512 20 0 DHADHO c1ccc2ncc(CC[NH2+][C@H]3CCNC[C@H]3C3CCCC3)cc2c1 ZINC000925834159 1030515215 /nfs/dbraw/zinc/51/52/15/1030515215.db2.gz VSKLXADUGIAUMG-FPOVZHCZSA-N 1 3 323.484 3.535 20 0 DHADHO C[C@H](Cc1ccncc1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000358670183 1030580300 /nfs/dbraw/zinc/58/03/00/1030580300.db2.gz VKYTXZDFRHJDML-MBOZVWFJSA-N 1 3 315.505 3.645 20 0 DHADHO C[C@@H](Cc1ccncc1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000358670184 1030580758 /nfs/dbraw/zinc/58/07/58/1030580758.db2.gz VKYTXZDFRHJDML-UWVAXJGDSA-N 1 3 315.505 3.645 20 0 DHADHO Cc1cccc([C@@H](NCC2(C)CC[NH+](C)CC2)c2ccccn2)c1 ZINC000926116371 1030622112 /nfs/dbraw/zinc/62/21/12/1030622112.db2.gz YNRDJYJLPUSDAG-HXUWFJFHSA-N 1 3 323.484 3.801 20 0 DHADHO C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)[C@@H]1CCCN(C2CCC2)C1 ZINC000926120394 1030625652 /nfs/dbraw/zinc/62/56/52/1030625652.db2.gz ZIVVYAIKMMAMDD-VPRUJKLYSA-N 1 3 320.521 3.577 20 0 DHADHO C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)[C@@H]1CCCN(C2CCC2)C1 ZINC000926120392 1030626221 /nfs/dbraw/zinc/62/62/21/1030626221.db2.gz ZIVVYAIKMMAMDD-RIGHFQGKSA-N 1 3 320.521 3.577 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000247067526 1030671926 /nfs/dbraw/zinc/67/19/26/1030671926.db2.gz VOWSEDKWVPMIGC-TZIWHRDSSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000247067526 1030671930 /nfs/dbraw/zinc/67/19/30/1030671930.db2.gz VOWSEDKWVPMIGC-TZIWHRDSSA-N 1 3 321.468 3.665 20 0 DHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1coc2ccccc21 ZINC000926287418 1030688043 /nfs/dbraw/zinc/68/80/43/1030688043.db2.gz NWAOUKTYWGTUSU-HZPDHXFCSA-N 1 3 316.445 3.584 20 0 DHADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1coc2ccccc21 ZINC000926287418 1030688052 /nfs/dbraw/zinc/68/80/52/1030688052.db2.gz NWAOUKTYWGTUSU-HZPDHXFCSA-N 1 3 316.445 3.584 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000824971701 1030688518 /nfs/dbraw/zinc/68/85/18/1030688518.db2.gz XCEZEIRTDCJUJN-CQSZACIVSA-N 1 3 307.309 3.813 20 0 DHADHO CC[N@H+](CCCNC1CC2(C1)CO[C@H](C)C2)C1CCCCC1 ZINC000926646758 1030835570 /nfs/dbraw/zinc/83/55/70/1030835570.db2.gz ARTICWLBLDSRRM-LRYGQEGESA-N 1 3 308.510 3.578 20 0 DHADHO CC[N@@H+](CCCNC1CC2(C1)CO[C@H](C)C2)C1CCCCC1 ZINC000926646758 1030835590 /nfs/dbraw/zinc/83/55/90/1030835590.db2.gz ARTICWLBLDSRRM-LRYGQEGESA-N 1 3 308.510 3.578 20 0 DHADHO COc1cccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)c1C ZINC000926734901 1030890894 /nfs/dbraw/zinc/89/08/94/1030890894.db2.gz UGJMAMGAWNTXPN-MRXNPFEDSA-N 1 3 312.457 3.916 20 0 DHADHO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC(C)(C)CN(C)C)CCCO2 ZINC000359373074 1030931909 /nfs/dbraw/zinc/93/19/09/1030931909.db2.gz UAULEQHMHKFEHX-KRWDZBQOSA-N 1 3 304.478 3.695 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)CC1 ZINC000926878696 1030965171 /nfs/dbraw/zinc/96/51/71/1030965171.db2.gz ROPAXJDRAABOTB-IBGZPJMESA-N 1 3 322.537 3.826 20 0 DHADHO Cn1c2ccccc2nc1[C@@H]1CCCN1CCCCCCC[NH3+] ZINC000844221571 1030997206 /nfs/dbraw/zinc/99/72/06/1030997206.db2.gz GNSLHNSCKMJTDA-SFHVURJKSA-N 1 3 314.477 3.619 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000927098284 1031084849 /nfs/dbraw/zinc/08/48/49/1031084849.db2.gz AZZXRTDSTGOUQB-MRXNPFEDSA-N 1 3 310.526 3.680 20 0 DHADHO CC(C)O[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000292793046 1031178959 /nfs/dbraw/zinc/17/89/59/1031178959.db2.gz KDZYSZVGPQHRQZ-JIRNRHONSA-N 1 3 316.489 3.710 20 0 DHADHO CC(C)O[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000292793046 1031178970 /nfs/dbraw/zinc/17/89/70/1031178970.db2.gz KDZYSZVGPQHRQZ-JIRNRHONSA-N 1 3 316.489 3.710 20 0 DHADHO COc1ccccc1/C=C/CN1CCC(CCC[NH+](C)C)CC1 ZINC000536696993 1031404923 /nfs/dbraw/zinc/40/49/23/1031404923.db2.gz GWMNOWFLLWOZNT-JXMROGBWSA-N 1 3 316.489 3.762 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000872059475 1031452183 /nfs/dbraw/zinc/45/21/83/1031452183.db2.gz FRKCRSIKMDWRQL-IMBTUZDBSA-N 1 3 322.537 3.823 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000872059472 1031452229 /nfs/dbraw/zinc/45/22/29/1031452229.db2.gz FRKCRSIKMDWRQL-BMFAXAFESA-N 1 3 322.537 3.823 20 0 DHADHO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000872087899 1031482999 /nfs/dbraw/zinc/48/29/99/1031482999.db2.gz MDYKKMVMSLDMDN-CABCVRRESA-N 1 3 306.416 3.819 20 0 DHADHO CCC[N@H+](CCCN(C)C)Cc1ccc(O)cc1C(F)(F)F ZINC001144392299 1031513959 /nfs/dbraw/zinc/51/39/59/1031513959.db2.gz VRICZOYHPCPHFQ-UHFFFAOYSA-N 1 3 318.383 3.575 20 0 DHADHO CCC[N@@H+](CCCN(C)C)Cc1ccc(O)cc1C(F)(F)F ZINC001144392299 1031513962 /nfs/dbraw/zinc/51/39/62/1031513962.db2.gz VRICZOYHPCPHFQ-UHFFFAOYSA-N 1 3 318.383 3.575 20 0 DHADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000537180635 1031523536 /nfs/dbraw/zinc/52/35/36/1031523536.db2.gz KYIDGJHKMWZYJT-AZUAARDMSA-N 1 3 302.506 3.919 20 0 DHADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000537180635 1031523548 /nfs/dbraw/zinc/52/35/48/1031523548.db2.gz KYIDGJHKMWZYJT-AZUAARDMSA-N 1 3 302.506 3.919 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2ccc(C)nc2)CC1)CC1CC1 ZINC000360974734 1031652839 /nfs/dbraw/zinc/65/28/39/1031652839.db2.gz KYJDRTSZYWWKJA-UHFFFAOYSA-N 1 3 315.505 3.724 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2ccc(C)nc2)CC1)CC1CC1 ZINC000360974734 1031652842 /nfs/dbraw/zinc/65/28/42/1031652842.db2.gz KYJDRTSZYWWKJA-UHFFFAOYSA-N 1 3 315.505 3.724 20 0 DHADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CCC2 ZINC000361061654 1031701606 /nfs/dbraw/zinc/70/16/06/1031701606.db2.gz UJXRENRPKLOBDL-OXJNMPFZSA-N 1 3 316.489 3.783 20 0 DHADHO C[C@H](c1ccc(F)cc1)N(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202180 1031758256 /nfs/dbraw/zinc/75/82/56/1031758256.db2.gz MGHBIPAKRZAYAF-GFCCVEGCSA-N 1 3 304.434 3.726 20 0 DHADHO C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210322 1031761447 /nfs/dbraw/zinc/76/14/47/1031761447.db2.gz BYTHIOKGPDFNJS-MFKMUULPSA-N 1 3 318.408 3.557 20 0 DHADHO CC(C)(C)[C@@]1(CN)CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000873223709 1031763973 /nfs/dbraw/zinc/76/39/73/1031763973.db2.gz RDTKNBKZWNXJKE-OAQYLSRUSA-N 1 3 323.484 3.946 20 0 DHADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000873223709 1031763984 /nfs/dbraw/zinc/76/39/84/1031763984.db2.gz RDTKNBKZWNXJKE-OAQYLSRUSA-N 1 3 323.484 3.946 20 0 DHADHO CC[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccccc1OC ZINC000873237945 1031770328 /nfs/dbraw/zinc/77/03/28/1031770328.db2.gz SNNFLTRXEYUCMF-LJQANCHMSA-N 1 3 310.441 3.582 20 0 DHADHO CCOc1cccc([C@H](C)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000873238353 1031770422 /nfs/dbraw/zinc/77/04/22/1031770422.db2.gz XLZAXIVHTBDABQ-HNNXBMFYSA-N 1 3 310.441 3.582 20 0 DHADHO CCC(CC)(C[NH2+][C@@H](C)c1ccc(CN)nc1C)C(F)(F)F ZINC000873247328 1031773430 /nfs/dbraw/zinc/77/34/30/1031773430.db2.gz KXRWJWNKAIDYLT-NSHDSACASA-N 1 3 317.399 3.868 20 0 DHADHO CN(Cc1cc2cnccc2o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000845969510 1031786901 /nfs/dbraw/zinc/78/69/01/1031786901.db2.gz FITMRIVPSGELMS-UHFFFAOYSA-N 1 3 309.413 3.521 20 0 DHADHO C[C@@H](Cc1c(F)cccc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC001172848720 1033421760 /nfs/dbraw/zinc/42/17/60/1033421760.db2.gz WEPFRJUFGQNQPM-ZDUSSCGKSA-N 1 3 324.871 3.874 20 0 DHADHO C[C@@H](CSc1ccc(Cl)cc1)NCCC[NH+]1CCCC1 ZINC001172871906 1033442378 /nfs/dbraw/zinc/44/23/78/1033442378.db2.gz RFQIKVKXOWUSGW-AWEZNQCLSA-N 1 3 312.910 3.896 20 0 DHADHO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCCN1CCCC1 ZINC001172871906 1033442386 /nfs/dbraw/zinc/44/23/86/1033442386.db2.gz RFQIKVKXOWUSGW-AWEZNQCLSA-N 1 3 312.910 3.896 20 0 DHADHO Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000152402908 1033521827 /nfs/dbraw/zinc/52/18/27/1033521827.db2.gz FFUZFBOTUNJQJO-DYVFJYSZSA-N 1 3 320.864 3.628 20 0 DHADHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000152461391 1033524228 /nfs/dbraw/zinc/52/42/28/1033524228.db2.gz CWQYBSSCCNSBQC-DYVFJYSZSA-N 1 3 324.415 3.813 20 0 DHADHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000152461391 1033524232 /nfs/dbraw/zinc/52/42/32/1033524232.db2.gz CWQYBSSCCNSBQC-DYVFJYSZSA-N 1 3 324.415 3.813 20 0 DHADHO CC(C)[C@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1cnn(C)c1 ZINC000927071816 1033525566 /nfs/dbraw/zinc/52/55/66/1033525566.db2.gz VDRXRNYKEIENQI-KXBFYZLASA-N 1 3 314.477 3.530 20 0 DHADHO CC[NH+](CC)C1CCC(N2CCC[C@H]2c2nccs2)CC1 ZINC001173113695 1033548248 /nfs/dbraw/zinc/54/82/48/1033548248.db2.gz BXSAASWZLVFWDU-GPANFISMSA-N 1 3 307.507 3.933 20 0 DHADHO CCc1ccc(C[C@H](C)N2CCC([NH3+])(CC3CC3)CC2)cc1 ZINC001173237343 1033645334 /nfs/dbraw/zinc/64/53/34/1033645334.db2.gz BBSDSVLWAAIUEO-INIZCTEOSA-N 1 3 300.490 3.773 20 0 DHADHO CC1(C)CCC[C@H](C[NH+]2CCC(NCc3ccccc3)CC2)O1 ZINC000878668465 1033790408 /nfs/dbraw/zinc/79/04/08/1033790408.db2.gz WVVPUNXDIYRACT-LJQANCHMSA-N 1 3 316.489 3.588 20 0 DHADHO CN1CCC[C@@H]1CC[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173685073 1033827266 /nfs/dbraw/zinc/82/72/66/1033827266.db2.gz HEFJYFFMAZQDNV-OBXNSHGQSA-N 1 3 312.501 3.887 20 0 DHADHO C[C@H](NCCC[NH+](C)C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000479849236 1033928030 /nfs/dbraw/zinc/92/80/30/1033928030.db2.gz HUJAVSXJMLZSST-RYUDHWBXSA-N 1 3 319.276 3.691 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)nc3ccccc23)[C@H](C)C1 ZINC000174780875 1033956367 /nfs/dbraw/zinc/95/63/67/1033956367.db2.gz IWUQOYPFHQWHIA-QRWLVFNGSA-N 1 3 311.473 3.705 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)nc3ccccc23)[C@H](C)C1 ZINC000174780875 1033956374 /nfs/dbraw/zinc/95/63/74/1033956374.db2.gz IWUQOYPFHQWHIA-QRWLVFNGSA-N 1 3 311.473 3.705 20 0 DHADHO Cc1nc(C(C)C)ccc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879250529 1033963808 /nfs/dbraw/zinc/96/38/08/1033963808.db2.gz HSQUSWOBMKYFQY-UHFFFAOYSA-N 1 3 315.505 3.821 20 0 DHADHO Fc1ccccc1[C@H]([NH2+]C1CCN(CC2CC2)CC1)C1CC1 ZINC001168362722 1034164578 /nfs/dbraw/zinc/16/45/78/1034164578.db2.gz DVXMOYQRAFBRKK-LJQANCHMSA-N 1 3 302.437 3.741 20 0 DHADHO C[C@H](NCc1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178024452 1034201616 /nfs/dbraw/zinc/20/16/16/1034201616.db2.gz JGDUVYAAMUDCFE-AWEZNQCLSA-N 1 3 304.459 3.539 20 0 DHADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000178174106 1034214252 /nfs/dbraw/zinc/21/42/52/1034214252.db2.gz PSTOYSPTSCGUAN-AWEZNQCLSA-N 1 3 304.459 3.539 20 0 DHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCO3)c1 ZINC000178736977 1034262355 /nfs/dbraw/zinc/26/23/55/1034262355.db2.gz VCWVYLJNNQXWFH-INIZCTEOSA-N 1 3 324.468 3.924 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCO3)c1 ZINC000178736977 1034262365 /nfs/dbraw/zinc/26/23/65/1034262365.db2.gz VCWVYLJNNQXWFH-INIZCTEOSA-N 1 3 324.468 3.924 20 0 DHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCCCc2ccccc2)C1 ZINC000480552794 1034306375 /nfs/dbraw/zinc/30/63/75/1034306375.db2.gz IVITWVNSGPMPMU-FQEVSTJZSA-N 1 3 300.490 3.673 20 0 DHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCCc2ccccc2)C1 ZINC000480552794 1034306388 /nfs/dbraw/zinc/30/63/88/1034306388.db2.gz IVITWVNSGPMPMU-FQEVSTJZSA-N 1 3 300.490 3.673 20 0 DHADHO COC1(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCCCC1 ZINC000480679187 1034396533 /nfs/dbraw/zinc/39/65/33/1034396533.db2.gz JFSKJVNIHLWCEX-MJGOQNOKSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@H]([NH2+][C@H]1CCc2cccnc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000380066706 1034446827 /nfs/dbraw/zinc/44/68/27/1034446827.db2.gz POBKDWKLSSFWEL-VDGAXYAQSA-N 1 3 321.468 3.569 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)C1 ZINC000481024492 1034558070 /nfs/dbraw/zinc/55/80/70/1034558070.db2.gz OUEIZHRNTDOOGS-ICSRJNTNSA-N 1 3 300.490 3.638 20 0 DHADHO C[NH+](C)CCOc1ccc(CNCc2cc(Cl)cs2)cc1 ZINC000193010050 1034826861 /nfs/dbraw/zinc/82/68/61/1034826861.db2.gz CVUMAZVOTOFDSP-UHFFFAOYSA-N 1 3 324.877 3.632 20 0 DHADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000556037182 1035024145 /nfs/dbraw/zinc/02/41/45/1035024145.db2.gz FJBNTYCYTJDJAS-QUCCMNQESA-N 1 3 310.441 3.620 20 0 DHADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000556037182 1035024153 /nfs/dbraw/zinc/02/41/53/1035024153.db2.gz FJBNTYCYTJDJAS-QUCCMNQESA-N 1 3 310.441 3.620 20 0 DHADHO CC[N@@H+]1CC[C@H](NC2CC(F)(c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000482059493 1035052392 /nfs/dbraw/zinc/05/23/92/1035052392.db2.gz GHWNPSWFRLOCDH-UKYFPXCRSA-N 1 3 324.871 3.987 20 0 DHADHO CC[N@H+]1CC[C@H](NC2CC(F)(c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000482059493 1035052400 /nfs/dbraw/zinc/05/24/00/1035052400.db2.gz GHWNPSWFRLOCDH-UKYFPXCRSA-N 1 3 324.871 3.987 20 0 DHADHO COc1ccc([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c(F)c1 ZINC000483175971 1035234885 /nfs/dbraw/zinc/23/48/85/1035234885.db2.gz JBRXQBMFSVTZKH-CXAGYDPISA-N 1 3 310.457 3.851 20 0 DHADHO COc1ccc2c(c1)[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000483186436 1035240224 /nfs/dbraw/zinc/24/02/24/1035240224.db2.gz QGSUDRNXDUENLD-MSOLQXFVSA-N 1 3 304.478 3.639 20 0 DHADHO COC1(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCCC1 ZINC000483299430 1035253893 /nfs/dbraw/zinc/25/38/93/1035253893.db2.gz UYCNRIFYFPMGPL-ROUUACIJSA-N 1 3 308.510 3.532 20 0 DHADHO COC1(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCCC1 ZINC000483299430 1035253899 /nfs/dbraw/zinc/25/38/99/1035253899.db2.gz UYCNRIFYFPMGPL-ROUUACIJSA-N 1 3 308.510 3.532 20 0 DHADHO Cc1cccc(C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C2CC2)c1 ZINC000484476208 1035344462 /nfs/dbraw/zinc/34/44/62/1035344462.db2.gz VAQMQPZKZHIQLW-AABGKKOBSA-N 1 3 300.490 3.779 20 0 DHADHO Fc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)ccc1C(F)F ZINC000904351046 1035402675 /nfs/dbraw/zinc/40/26/75/1035402675.db2.gz UGHBFJPLSURUKI-AWEZNQCLSA-N 1 3 312.379 3.585 20 0 DHADHO CC(C)(C)CC[C@H](N)C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000904360651 1035403778 /nfs/dbraw/zinc/40/37/78/1035403778.db2.gz NJGGNVUFJLCZPE-OALUTQOASA-N 1 3 314.473 3.616 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NC2(c3cccc(Br)c3)CCC2)C1 ZINC000568781958 1035474422 /nfs/dbraw/zinc/47/44/22/1035474422.db2.gz BUWMEZXMCDDYGD-GJZGRUSLSA-N 1 3 323.278 3.688 20 0 DHADHO c1cc(CN2CCC(C[NH2+]CCC3CCCCC3)CC2)ccn1 ZINC000668512700 1035723431 /nfs/dbraw/zinc/72/34/31/1035723431.db2.gz PEYSLSOGRXCUHA-UHFFFAOYSA-N 1 3 315.505 3.854 20 0 DHADHO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1 ZINC000906159545 1035783289 /nfs/dbraw/zinc/78/32/89/1035783289.db2.gz SDAQTCRRYCQAOX-DNVCBOLYSA-N 1 3 322.456 3.552 20 0 DHADHO C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1 ZINC000906159545 1035783304 /nfs/dbraw/zinc/78/33/04/1035783304.db2.gz SDAQTCRRYCQAOX-DNVCBOLYSA-N 1 3 322.456 3.552 20 0 DHADHO CCN(CC)CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001194133003 1035841095 /nfs/dbraw/zinc/84/10/95/1035841095.db2.gz OFFKAFROYSQKOH-XUVXKRRUSA-N 1 3 300.490 3.986 20 0 DHADHO CCN(CC)CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001194133003 1035841104 /nfs/dbraw/zinc/84/11/04/1035841104.db2.gz OFFKAFROYSQKOH-XUVXKRRUSA-N 1 3 300.490 3.986 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]CC(C)(C)CN1CCCC1 ZINC001181426954 1035907983 /nfs/dbraw/zinc/90/79/83/1035907983.db2.gz HUQSXRIKJGAWDN-OAHLLOKOSA-N 1 3 324.459 3.998 20 0 DHADHO COc1cccc([C@H]2CCC[N@@H+]2CCCN2CCCCC2)c1 ZINC000195632306 1035934884 /nfs/dbraw/zinc/93/48/84/1035934884.db2.gz GSVDRPQYEGZZJN-LJQANCHMSA-N 1 3 302.462 3.708 20 0 DHADHO COc1cccc([C@H]2CCC[N@H+]2CCCN2CCCCC2)c1 ZINC000195632306 1035934893 /nfs/dbraw/zinc/93/48/93/1035934893.db2.gz GSVDRPQYEGZZJN-LJQANCHMSA-N 1 3 302.462 3.708 20 0 DHADHO CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1(C)C ZINC000540596393 1036107719 /nfs/dbraw/zinc/10/77/19/1036107719.db2.gz UQSSHKUSNHJXKN-FGTMMUONSA-N 1 3 310.526 3.680 20 0 DHADHO C[N@H+](C/C=C/c1ccncc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000494923561 1036128069 /nfs/dbraw/zinc/12/80/69/1036128069.db2.gz LVMZGPZYIVYNAJ-WKOQKXSESA-N 1 3 321.468 3.549 20 0 DHADHO C[N@@H+](C/C=C/c1ccncc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000494923561 1036128078 /nfs/dbraw/zinc/12/80/78/1036128078.db2.gz LVMZGPZYIVYNAJ-WKOQKXSESA-N 1 3 321.468 3.549 20 0 DHADHO FC1(F)CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000540983705 1036206765 /nfs/dbraw/zinc/20/67/65/1036206765.db2.gz UZQSXMXVIFBNRG-HNNXBMFYSA-N 1 3 300.437 3.951 20 0 DHADHO FC1(F)CCC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000540983705 1036206787 /nfs/dbraw/zinc/20/67/87/1036206787.db2.gz UZQSXMXVIFBNRG-HNNXBMFYSA-N 1 3 300.437 3.951 20 0 DHADHO CCCCCCc1ccc(CN2CCCC[C@](O)(C[NH3+])C2)s1 ZINC001205735115 1036381320 /nfs/dbraw/zinc/38/13/20/1036381320.db2.gz KCGRMIJIDSTTSC-SFHVURJKSA-N 1 3 324.534 3.547 20 0 DHADHO Clc1ccc([C@H]2C[C@@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168372649 1036645885 /nfs/dbraw/zinc/64/58/85/1036645885.db2.gz ZUEDLCSYYBNZIP-MSOLQXFVSA-N 1 3 304.865 3.660 20 0 DHADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCC(C)(c4ccccc4)CC3)[C@H]2C1 ZINC001184386682 1036825115 /nfs/dbraw/zinc/82/51/15/1036825115.db2.gz CPMDVTHAKXVXKA-IUOOZTADSA-N 1 3 312.501 3.817 20 0 DHADHO Cc1ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000309663162 1037169797 /nfs/dbraw/zinc/16/97/97/1037169797.db2.gz NJRVJOUYJOLLOJ-NRFANRHFSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000309663162 1037169802 /nfs/dbraw/zinc/16/98/02/1037169802.db2.gz NJRVJOUYJOLLOJ-NRFANRHFSA-N 1 3 308.469 3.915 20 0 DHADHO COc1ccc(C[NH2+]CCCN2CCCCC2)cc1C(C)(C)C ZINC001199038729 1037186602 /nfs/dbraw/zinc/18/66/02/1037186602.db2.gz ZCVQOKREXOCCCL-UHFFFAOYSA-N 1 3 318.505 3.958 20 0 DHADHO CC(C)CN1CCC([NH2+]C[C@H](C)CCc2ccccc2)CC1 ZINC001199144225 1037206155 /nfs/dbraw/zinc/20/61/55/1037206155.db2.gz OOMXIFQRAONRKU-GOSISDBHSA-N 1 3 302.506 3.965 20 0 DHADHO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC001199923728 1037372788 /nfs/dbraw/zinc/37/27/88/1037372788.db2.gz AGZBSDNZVXNTFM-PMACEKPBSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C(C)(C)C ZINC000670266917 1037487277 /nfs/dbraw/zinc/48/72/77/1037487277.db2.gz HDTNDRPNXRTNLB-MJGOQNOKSA-N 1 3 302.506 3.823 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(C(C)C)cc32)C1 ZINC000489563303 1037488348 /nfs/dbraw/zinc/48/83/48/1037488348.db2.gz WEGSQNXCNRDWMA-VQIMIIECSA-N 1 3 316.489 3.955 20 0 DHADHO C[C@]1(CNCc2ccsc2)CCC[N@@H+]1Cc1ccccc1 ZINC000397881542 1037547815 /nfs/dbraw/zinc/54/78/15/1037547815.db2.gz NAWPGFDGZMHEEU-GOSISDBHSA-N 1 3 300.471 3.892 20 0 DHADHO C[C@]1(CNCc2ccsc2)CCC[N@H+]1Cc1ccccc1 ZINC000397881542 1037547829 /nfs/dbraw/zinc/54/78/29/1037547829.db2.gz NAWPGFDGZMHEEU-GOSISDBHSA-N 1 3 300.471 3.892 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205913724 1037577924 /nfs/dbraw/zinc/57/79/24/1037577924.db2.gz JGLYOAKBKMRDCJ-QWHCGFSZSA-N 1 3 300.368 3.573 20 0 DHADHO Cc1nc2ccc(C[NH2+][C@@H]3CCC[C@@H](N(C)C)C3)cc2s1 ZINC000494078736 1037641687 /nfs/dbraw/zinc/64/16/87/1037641687.db2.gz LPBVKZSCQCLFSV-HUUCEWRRSA-N 1 3 303.475 3.567 20 0 DHADHO CC[C@@H](C)CN1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001201503802 1037723685 /nfs/dbraw/zinc/72/36/85/1037723685.db2.gz RZRFNFKPVXIARH-OAHLLOKOSA-N 1 3 319.493 3.768 20 0 DHADHO CC[C@@H](C)CN1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001201503802 1037723701 /nfs/dbraw/zinc/72/37/01/1037723701.db2.gz RZRFNFKPVXIARH-OAHLLOKOSA-N 1 3 319.493 3.768 20 0 DHADHO c1ccc(CC[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1 ZINC001201606284 1037805726 /nfs/dbraw/zinc/80/57/26/1037805726.db2.gz VEBWWMFZODZOGL-UHFFFAOYSA-N 1 3 320.480 3.827 20 0 DHADHO CC(C)[NH2+]C1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185507110 1037812836 /nfs/dbraw/zinc/81/28/36/1037812836.db2.gz CELMQBDNSKWCRP-UHFFFAOYSA-N 1 3 306.416 3.818 20 0 DHADHO CCN(C)C[C@H]1CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185518932 1037815845 /nfs/dbraw/zinc/81/58/45/1037815845.db2.gz JESSWPLEZJCMTL-SHARSMKWSA-N 1 3 306.416 3.629 20 0 DHADHO CCN(C)C[C@H]1CC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185518932 1037815859 /nfs/dbraw/zinc/81/58/59/1037815859.db2.gz JESSWPLEZJCMTL-SHARSMKWSA-N 1 3 306.416 3.629 20 0 DHADHO c1ccc(CCC[N@@H+]2CCCC[C@@H]2CCN2CCCC2)cc1 ZINC001201663878 1037840688 /nfs/dbraw/zinc/84/06/88/1037840688.db2.gz NCOHDICJURIPBJ-HXUWFJFHSA-N 1 3 300.490 3.960 20 0 DHADHO c1ccc(CCC[N@H+]2CCCC[C@@H]2CCN2CCCC2)cc1 ZINC001201663878 1037840701 /nfs/dbraw/zinc/84/07/01/1037840701.db2.gz NCOHDICJURIPBJ-HXUWFJFHSA-N 1 3 300.490 3.960 20 0 DHADHO C[C@@H](C[NH2+]C1CC(c2ccc(Cl)cc2)C1)CN1CCCC1 ZINC000062078475 1037845912 /nfs/dbraw/zinc/84/59/12/1037845912.db2.gz BUPKFWNTVNDSPA-NXVRBGIVSA-N 1 3 306.881 3.908 20 0 DHADHO C[C@H]1CC2(CC([NH2+]C3CCN(CC4CCCCC4)CC3)C2)CO1 ZINC000924857958 1037904073 /nfs/dbraw/zinc/90/40/73/1037904073.db2.gz WTLRBNUITMEZAK-DZIBYMRMSA-N 1 3 320.521 3.578 20 0 DHADHO Cc1ccoc1C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000571339659 1038130036 /nfs/dbraw/zinc/13/00/36/1038130036.db2.gz SOYAAEHULLXEDV-RTBURBONSA-N 1 3 310.441 3.542 20 0 DHADHO Cc1ccoc1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000571339659 1038130044 /nfs/dbraw/zinc/13/00/44/1038130044.db2.gz SOYAAEHULLXEDV-RTBURBONSA-N 1 3 310.441 3.542 20 0 DHADHO C[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)CC[C@@H]1C[NH3+] ZINC001205605161 1038692882 /nfs/dbraw/zinc/69/28/82/1038692882.db2.gz ZLTVEJWMZZZBMI-VXGBXAGGSA-N 1 3 301.261 3.800 20 0 DHADHO CO[C@H](CN1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000659943328 1039049068 /nfs/dbraw/zinc/04/90/68/1039049068.db2.gz BGTMEDLTQUZITF-RTBURBONSA-N 1 3 308.510 3.532 20 0 DHADHO CSC1(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000574126957 1039408254 /nfs/dbraw/zinc/40/82/54/1039408254.db2.gz IZCGWAZBJKMHKL-KRWDZBQOSA-N 1 3 310.551 3.860 20 0 DHADHO Cc1ccc(CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000608578061 1040554855 /nfs/dbraw/zinc/55/48/55/1040554855.db2.gz LNDQMZAURQSGFB-JOCHJYFZSA-N 1 3 322.496 3.991 20 0 DHADHO Cc1ccc(CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000608578061 1040554871 /nfs/dbraw/zinc/55/48/71/1040554871.db2.gz LNDQMZAURQSGFB-JOCHJYFZSA-N 1 3 322.496 3.991 20 0 DHADHO CN(CCc1cccs1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400470 1040634045 /nfs/dbraw/zinc/63/40/45/1040634045.db2.gz CSOKKNXVZHPLJX-SFHVURJKSA-N 1 3 314.498 3.745 20 0 DHADHO CN(CCc1cccs1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400470 1040634055 /nfs/dbraw/zinc/63/40/55/1040634055.db2.gz CSOKKNXVZHPLJX-SFHVURJKSA-N 1 3 314.498 3.745 20 0 DHADHO COc1ccc2oc(CN3CCC(CC[NH+](C)C)CC3)cc2c1 ZINC000092381387 185314643 /nfs/dbraw/zinc/31/46/43/185314643.db2.gz SBYBKNZDINFLCU-UHFFFAOYSA-N 1 3 316.445 3.605 20 0 DHADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000020023794 182179945 /nfs/dbraw/zinc/17/99/45/182179945.db2.gz VKTBNAQNENPMGN-LBPRGKRZSA-N 1 3 302.384 3.944 20 0 DHADHO Cc1cncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000274419161 130233786 /nfs/dbraw/zinc/23/37/86/130233786.db2.gz TWMXLHHSTSIGGM-CMKODMSKSA-N 1 3 323.484 3.951 20 0 DHADHO COCc1cccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340185762 131020553 /nfs/dbraw/zinc/02/05/53/131020553.db2.gz PCPUQKZLOLAJOW-SFTDATJTSA-N 1 3 324.468 3.758 20 0 DHADHO COCc1cccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340185762 131020554 /nfs/dbraw/zinc/02/05/54/131020554.db2.gz PCPUQKZLOLAJOW-SFTDATJTSA-N 1 3 324.468 3.758 20 0 DHADHO CO[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000284424588 131080121 /nfs/dbraw/zinc/08/01/21/131080121.db2.gz OVGCVSZJLGLTLT-IMFGXOCKSA-N 1 3 316.489 3.617 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc(Br)c1)C2 ZINC000285642001 131188592 /nfs/dbraw/zinc/18/85/92/131188592.db2.gz XTIIKSVDXGQXBI-XYPWUTKMSA-N 1 3 323.278 3.506 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc(Br)c1)C2 ZINC000285642001 131188593 /nfs/dbraw/zinc/18/85/93/131188593.db2.gz XTIIKSVDXGQXBI-XYPWUTKMSA-N 1 3 323.278 3.506 20 0 DHADHO Cc1ccnc([C@@H](C)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000285853108 131206307 /nfs/dbraw/zinc/20/63/07/131206307.db2.gz XYJRYRZEUJZFNA-FGTMMUONSA-N 1 3 303.494 3.799 20 0 DHADHO Cc1ccnc([C@@H](C)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000285853108 131206308 /nfs/dbraw/zinc/20/63/08/131206308.db2.gz XYJRYRZEUJZFNA-FGTMMUONSA-N 1 3 303.494 3.799 20 0 DHADHO COc1ccc([C@H](C)NCCCCC[NH+]2CCCCC2)cc1O ZINC000289515678 131392498 /nfs/dbraw/zinc/39/24/98/131392498.db2.gz ANHYRMGRBKFCPH-INIZCTEOSA-N 1 3 320.477 3.708 20 0 DHADHO CN1CC=C(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000294748274 131857599 /nfs/dbraw/zinc/85/75/99/131857599.db2.gz LUOBNHAYHGKZAA-GOSISDBHSA-N 1 3 304.865 3.513 20 0 DHADHO Cc1oc2ccccc2c1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297322849 132009829 /nfs/dbraw/zinc/00/98/29/132009829.db2.gz CJRAWJDCRMQDFF-UHFFFAOYSA-N 1 3 321.424 3.895 20 0 DHADHO CCC[NH+]1CCC(NC[C@H](c2ccccc2)N(CC)CC)CC1 ZINC000121757920 132158621 /nfs/dbraw/zinc/15/86/21/132158621.db2.gz RBEUEEOLPAUXKI-HXUWFJFHSA-N 1 3 317.521 3.534 20 0 DHADHO CSC1(C[NH2+][C@@H](C)c2ccc(Cl)s2)CCN(C)CC1 ZINC000580059858 332921089 /nfs/dbraw/zinc/92/10/89/332921089.db2.gz BNGFIRILXFAYDI-NSHDSACASA-N 1 3 318.939 3.880 20 0 DHADHO CCCOc1cccc(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000092381237 332127880 /nfs/dbraw/zinc/12/78/80/332127880.db2.gz BSEWLVHWDYQOQO-UHFFFAOYSA-N 1 3 304.478 3.639 20 0 DHADHO [NH3+]CCC[C@H](NCc1ccnc2ccccc12)c1ccccc1 ZINC000569572695 332141861 /nfs/dbraw/zinc/14/18/61/332141861.db2.gz JNOBFFNFNROXJE-IBGZPJMESA-N 1 3 305.425 3.805 20 0 DHADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559399461 332256211 /nfs/dbraw/zinc/25/62/11/332256211.db2.gz FIQLZMNKAVINJQ-AEFFLSMTSA-N 1 3 322.880 3.668 20 0 DHADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559399461 332256212 /nfs/dbraw/zinc/25/62/12/332256212.db2.gz FIQLZMNKAVINJQ-AEFFLSMTSA-N 1 3 322.880 3.668 20 0 DHADHO C[C@H](CCc1ccc(O)cc1)[NH2+]CCCN1CCCC[C@H]1C ZINC000261770193 332269074 /nfs/dbraw/zinc/26/90/74/332269074.db2.gz VXEDUSFASRYRAK-IAGOWNOFSA-N 1 3 304.478 3.567 20 0 DHADHO C[N@@H+]1CC[C@@H](NCCOCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000559773471 332280436 /nfs/dbraw/zinc/28/04/36/332280436.db2.gz FBTCPXHESXLJKH-NHCUHLMSSA-N 1 3 324.468 3.628 20 0 DHADHO C[N@H+]1CC[C@@H](NCCOCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000559773471 332280437 /nfs/dbraw/zinc/28/04/37/332280437.db2.gz FBTCPXHESXLJKH-NHCUHLMSSA-N 1 3 324.468 3.628 20 0 DHADHO COc1ccc(OC)c([C@@H](C)NCCCCC[NH+]2CCCC2)c1 ZINC000559892501 332290130 /nfs/dbraw/zinc/29/01/30/332290130.db2.gz KLZQKYXYJWKFCH-MRXNPFEDSA-N 1 3 320.477 3.621 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@@H]2CCC[C@@H]21 ZINC000560518731 332349648 /nfs/dbraw/zinc/34/96/48/332349648.db2.gz XDNATCVLCKQYAX-FHWLQOOXSA-N 1 3 310.441 3.909 20 0 DHADHO COCc1ccccc1/C=C(\C)CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000560524372 332350376 /nfs/dbraw/zinc/35/03/76/332350376.db2.gz WFYRLQJMEBRFJF-ZKTNYTPDSA-N 1 3 316.489 3.556 20 0 DHADHO COCc1ccccc1/C=C(\C)CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000560524372 332350379 /nfs/dbraw/zinc/35/03/79/332350379.db2.gz WFYRLQJMEBRFJF-ZKTNYTPDSA-N 1 3 316.489 3.556 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Oc1cccc(C)c1 ZINC000560544668 332356213 /nfs/dbraw/zinc/35/62/13/332356213.db2.gz RYGIRRFBSKIMNS-MDNKFWRPSA-N 1 3 316.489 3.615 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Oc1cccc(C)c1 ZINC000560544668 332356214 /nfs/dbraw/zinc/35/62/14/332356214.db2.gz RYGIRRFBSKIMNS-MDNKFWRPSA-N 1 3 316.489 3.615 20 0 DHADHO c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000261679130 332640508 /nfs/dbraw/zinc/64/05/08/332640508.db2.gz HVZRBHVIAPTABV-YSIASYRMSA-N 1 3 311.473 3.611 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000314135704 333088888 /nfs/dbraw/zinc/08/88/88/333088888.db2.gz SAJUOXYDFDJLPA-CYBMUJFWSA-N 1 3 316.367 3.722 20 0 DHADHO COc1ccc2cc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)ccc2c1 ZINC000514088492 333273681 /nfs/dbraw/zinc/27/36/81/333273681.db2.gz LSSWIAPYEHPSDX-NJDAHSKKSA-N 1 3 324.468 3.811 20 0 DHADHO COc1ccc2cc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)ccc2c1 ZINC000514088492 333273683 /nfs/dbraw/zinc/27/36/83/333273683.db2.gz LSSWIAPYEHPSDX-NJDAHSKKSA-N 1 3 324.468 3.811 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCCOCc1ccccc1 ZINC000390601741 333305986 /nfs/dbraw/zinc/30/59/86/333305986.db2.gz XQAKOYWMHUSMQX-UYAOXDASSA-N 1 3 318.505 3.884 20 0 DHADHO C[NH+]1CCC([C@@H]2CCN(C/C=C\c3ccc(F)cc3F)C2)CC1 ZINC000583467926 333360039 /nfs/dbraw/zinc/36/00/39/333360039.db2.gz ZSDRRRBJKVVHLC-BAHPRDJBSA-N 1 3 320.427 3.642 20 0 DHADHO CC(C)CCOCCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390788163 333393450 /nfs/dbraw/zinc/39/34/50/333393450.db2.gz DAUMYUGQWGKIEA-QUCCMNQESA-N 1 3 318.505 3.549 20 0 DHADHO CC(C)CCOCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390788163 333393451 /nfs/dbraw/zinc/39/34/51/333393451.db2.gz DAUMYUGQWGKIEA-QUCCMNQESA-N 1 3 318.505 3.549 20 0 DHADHO [NH3+]Cc1ccc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000563153633 333398396 /nfs/dbraw/zinc/39/83/96/333398396.db2.gz BWJCSZVPSOBFHJ-HXUWFJFHSA-N 1 3 322.452 3.638 20 0 DHADHO c1nc(C2CCCC2)sc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446884218 333456876 /nfs/dbraw/zinc/45/68/76/333456876.db2.gz NAIGETKROARLKI-UHFFFAOYSA-N 1 3 319.518 3.765 20 0 DHADHO Clc1ccc(CNCC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000446882667 333456881 /nfs/dbraw/zinc/45/68/81/333456881.db2.gz BHKFBRWGNAKFED-UHFFFAOYSA-N 1 3 313.272 3.957 20 0 DHADHO CC(C)[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000414370542 333946640 /nfs/dbraw/zinc/94/66/40/333946640.db2.gz WVCXDAZVEZYBDN-MJGOQNOKSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](N)[C@@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414657635 334059626 /nfs/dbraw/zinc/05/96/26/334059626.db2.gz HVYOIIHOHFBGEV-PGRDOPGGSA-N 1 3 322.496 3.757 20 0 DHADHO C[C@H](N)[C@@H]1CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414657635 334059627 /nfs/dbraw/zinc/05/96/27/334059627.db2.gz HVYOIIHOHFBGEV-PGRDOPGGSA-N 1 3 322.496 3.757 20 0 DHADHO Cc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F ZINC000414659600 334059630 /nfs/dbraw/zinc/05/96/30/334059630.db2.gz LHGGLBIFGUMOHL-DZKIICNBSA-N 1 3 312.379 3.573 20 0 DHADHO C[C@H](c1nc2ccccc2s1)N(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414675884 334067009 /nfs/dbraw/zinc/06/70/09/334067009.db2.gz GVRDXKNSCDFHIH-MGPQQGTHSA-N 1 3 303.475 3.677 20 0 DHADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CCNCC1 ZINC000414774349 334090653 /nfs/dbraw/zinc/09/06/53/334090653.db2.gz AYDICCGOIQLOGD-ZDUSSCGKSA-N 1 3 301.261 3.656 20 0 DHADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC1CC[NH2+]CC1 ZINC000414774349 334090654 /nfs/dbraw/zinc/09/06/54/334090654.db2.gz AYDICCGOIQLOGD-ZDUSSCGKSA-N 1 3 301.261 3.656 20 0 DHADHO CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801339 334102065 /nfs/dbraw/zinc/10/20/65/334102065.db2.gz TZMPJLPKXFHZRG-BZUAXINKSA-N 1 3 314.395 3.914 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)c1ccc(C(F)(F)F)cc1 ZINC000414808350 334104963 /nfs/dbraw/zinc/10/49/63/334104963.db2.gz SFGWXTJGAASNKQ-UXIGCNINSA-N 1 3 300.368 3.526 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414812551 334106214 /nfs/dbraw/zinc/10/62/14/334106214.db2.gz XKBDKAVQFKAWKZ-XPKDYRNWSA-N 1 3 314.395 3.744 20 0 DHADHO CCCC[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414816546 334107358 /nfs/dbraw/zinc/10/73/58/334107358.db2.gz PYYUKMXLUXSSCV-YJBOKZPZSA-N 1 3 319.493 3.634 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414822510 334108234 /nfs/dbraw/zinc/10/82/34/334108234.db2.gz MVQUUADYFRMNAB-UPJWGTAASA-N 1 3 300.899 3.700 20 0 DHADHO C[C@@H](NCc1cc(-c2ccccc2)cs1)[C@H]1CCC[NH2+]C1 ZINC000414853546 334127579 /nfs/dbraw/zinc/12/75/79/334127579.db2.gz KYKGGMKWVIOBCT-ZBFHGGJFSA-N 1 3 300.471 3.893 20 0 DHADHO C[C@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)[C@@H]1CCCNC1 ZINC000414865672 334135748 /nfs/dbraw/zinc/13/57/48/334135748.db2.gz ZLJUUVSXUPXIID-QREPNTDJSA-N 1 3 300.490 3.865 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)NC[C@@H]([NH3+])C1CC1 ZINC000414892064 334158498 /nfs/dbraw/zinc/15/84/98/334158498.db2.gz PFXSSCRUVLISQY-UKRRQHHQSA-N 1 3 301.261 3.641 20 0 DHADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414905624 334169014 /nfs/dbraw/zinc/16/90/14/334169014.db2.gz LOXNIKUEHDGSEI-XJKSGUPXSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414905624 334169015 /nfs/dbraw/zinc/16/90/15/334169015.db2.gz LOXNIKUEHDGSEI-XJKSGUPXSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414941261 334202400 /nfs/dbraw/zinc/20/24/00/334202400.db2.gz LHTJSQADSRLIFU-RWSFTLGLSA-N 1 3 301.261 3.512 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414941261 334202401 /nfs/dbraw/zinc/20/24/01/334202401.db2.gz LHTJSQADSRLIFU-RWSFTLGLSA-N 1 3 301.261 3.512 20 0 DHADHO C[C@@H](CN[C@@H]1CCC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415083986 334272290 /nfs/dbraw/zinc/27/22/90/334272290.db2.gz ONHJQMFJHDTJRT-NWDGAFQWSA-N 1 3 301.261 3.829 20 0 DHADHO C[C@@H](C[NH2+][C@@H]1CCCNCC1)c1c(Cl)cccc1Cl ZINC000415083986 334272292 /nfs/dbraw/zinc/27/22/92/334272292.db2.gz ONHJQMFJHDTJRT-NWDGAFQWSA-N 1 3 301.261 3.829 20 0 DHADHO C[C@@H](C[NH2+][C@H]1CCN[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414952171 334207137 /nfs/dbraw/zinc/20/71/37/334207137.db2.gz QPCTVYJUJKLSDS-ZOWXZIJZSA-N 1 3 300.368 3.539 20 0 DHADHO C[C@@H](CN[C@H]1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414952171 334207138 /nfs/dbraw/zinc/20/71/38/334207138.db2.gz QPCTVYJUJKLSDS-ZOWXZIJZSA-N 1 3 300.368 3.539 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC000414954320 334208122 /nfs/dbraw/zinc/20/81/22/334208122.db2.gz SNSQKZZEGITUTL-QIJUGHKUSA-N 1 3 322.496 3.961 20 0 DHADHO Cc1ccccc1CNC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414995991 334234824 /nfs/dbraw/zinc/23/48/24/334234824.db2.gz GARRJJLSCFQAOM-AZUAARDMSA-N 1 3 312.432 3.617 20 0 DHADHO Cc1ccccc1C[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414995991 334234825 /nfs/dbraw/zinc/23/48/25/334234825.db2.gz GARRJJLSCFQAOM-AZUAARDMSA-N 1 3 312.432 3.617 20 0 DHADHO COc1c(Cl)cc(Cl)cc1CNC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414996958 334235336 /nfs/dbraw/zinc/23/53/36/334235336.db2.gz PAXDAQVGSJGHLO-GXFFZTMASA-N 1 3 317.260 3.609 20 0 DHADHO CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414997089 334235476 /nfs/dbraw/zinc/23/54/76/334235476.db2.gz HBTFRJDFCQMWPS-CGTJXYLNSA-N 1 3 304.453 3.687 20 0 DHADHO Cc1ccc(-c2nc(CNC[C@@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000415003438 334241652 /nfs/dbraw/zinc/24/16/52/334241652.db2.gz XDUIFNMXJMIDBO-ZBFHGGJFSA-N 1 3 315.486 3.726 20 0 DHADHO C[C@H]1CCC[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000415007951 334250484 /nfs/dbraw/zinc/25/04/84/334250484.db2.gz RZNKVCXLNDLMPU-OYSPMZIOSA-N 1 3 304.453 3.687 20 0 DHADHO FC(F)(F)c1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415036157 334260454 /nfs/dbraw/zinc/26/04/54/334260454.db2.gz FJYVPLIIOFOSNH-GDBMZVCRSA-N 1 3 312.379 3.669 20 0 DHADHO [NH3+]CCC[C@H](NCc1cccc2cccnc21)c1ccccc1 ZINC000415052424 334260456 /nfs/dbraw/zinc/26/04/56/334260456.db2.gz LERIGQSUHZAOEE-IBGZPJMESA-N 1 3 305.425 3.805 20 0 DHADHO Cc1ccc2cc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)ccc2n1 ZINC000415060528 334261889 /nfs/dbraw/zinc/26/18/89/334261889.db2.gz YNPXCVBWLLYTPG-UYAOXDASSA-N 1 3 309.457 3.507 20 0 DHADHO c1c2ccccc2sc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415060182 334261897 /nfs/dbraw/zinc/26/18/97/334261897.db2.gz YJHJRYFRWXLPDQ-NVXWUHKLSA-N 1 3 300.471 3.865 20 0 DHADHO C[C@H](CNC[C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415079461 334270713 /nfs/dbraw/zinc/27/07/13/334270713.db2.gz HYJFWPZRXKLHGN-VXGBXAGGSA-N 1 3 301.261 3.686 20 0 DHADHO C[C@H](C[NH2+]C[C@@H]1CCCNC1)c1c(Cl)cccc1Cl ZINC000415079461 334270715 /nfs/dbraw/zinc/27/07/15/334270715.db2.gz HYJFWPZRXKLHGN-VXGBXAGGSA-N 1 3 301.261 3.686 20 0 DHADHO c1ccc2c(c1)C1C[C@@H](CN[C@H]3CCC[NH2+]C3)C2c2ccccc21 ZINC000415100093 334279740 /nfs/dbraw/zinc/27/97/40/334279740.db2.gz HJRYAQHCUGHCOM-TUKZGULFSA-N 1 3 318.464 3.625 20 0 DHADHO Cc1ccccc1C(C)(C)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415095283 334280929 /nfs/dbraw/zinc/28/09/29/334280929.db2.gz ZISCGSGJUZEBGR-BHIYHBOVSA-N 1 3 300.490 3.783 20 0 DHADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000534660084 334315815 /nfs/dbraw/zinc/31/58/15/334315815.db2.gz RQNHUXBABIAOIX-AEFFLSMTSA-N 1 3 322.880 3.668 20 0 DHADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000534660084 334315816 /nfs/dbraw/zinc/31/58/16/334315816.db2.gz RQNHUXBABIAOIX-AEFFLSMTSA-N 1 3 322.880 3.668 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H](CC2CC2)c2ccccc2)CC1 ZINC000531962991 334320966 /nfs/dbraw/zinc/32/09/66/334320966.db2.gz RMONSOGFBCCFDT-FQEVSTJZSA-N 1 3 316.489 3.618 20 0 DHADHO CCN(CC)C[C@@H]1CC[N@H+](CCCSCc2ccccc2)C1 ZINC000534869763 334342426 /nfs/dbraw/zinc/34/24/26/334342426.db2.gz SGXLKOUXWHRFNU-IBGZPJMESA-N 1 3 320.546 3.974 20 0 DHADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCSCc2ccccc2)C1 ZINC000534869763 334342428 /nfs/dbraw/zinc/34/24/28/334342428.db2.gz SGXLKOUXWHRFNU-IBGZPJMESA-N 1 3 320.546 3.974 20 0 DHADHO Clc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000534973441 334351372 /nfs/dbraw/zinc/35/13/72/334351372.db2.gz ROXKLNUBTHRYTK-UGSOOPFHSA-N 1 3 304.865 3.791 20 0 DHADHO Clc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000534973441 334351373 /nfs/dbraw/zinc/35/13/73/334351373.db2.gz ROXKLNUBTHRYTK-UGSOOPFHSA-N 1 3 304.865 3.791 20 0 DHADHO C[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1CCCC1 ZINC000342822091 334581223 /nfs/dbraw/zinc/58/12/23/334581223.db2.gz FQFCFAZUKDRXDF-INIZCTEOSA-N 1 3 316.489 3.828 20 0 DHADHO CN1CCC(Oc2ccc(C[NH2+]CCC(C)(C)C)cc2)CC1 ZINC000342823069 334581387 /nfs/dbraw/zinc/58/13/87/334581387.db2.gz MUXCUHVZNJCYFL-UHFFFAOYSA-N 1 3 304.478 3.685 20 0 DHADHO COCCC1(C[NH2+]C2CC(C)(C)NC(C)(C)C2)CCCCC1 ZINC000189002804 334880032 /nfs/dbraw/zinc/88/00/32/334880032.db2.gz FUVOYVXQSWUFOW-UHFFFAOYSA-N 1 3 310.526 3.872 20 0 DHADHO CC[C@H](C(=O)Nc1cccc(C[NH+](CC)CC)c1)N(CC)CC ZINC000345799588 335352079 /nfs/dbraw/zinc/35/20/79/335352079.db2.gz NZVBDXSRRWXZFA-GOSISDBHSA-N 1 3 319.493 3.587 20 0 DHADHO [NH3+]CC1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000346677028 335428933 /nfs/dbraw/zinc/42/89/33/335428933.db2.gz YXQPMIONRXTVMQ-UHFFFAOYSA-N 1 3 304.434 3.725 20 0 DHADHO Cc1ccc(-c2ncc(CN3CCC([C@H](C)[NH3+])CC3)s2)cc1 ZINC000347110735 335466567 /nfs/dbraw/zinc/46/65/67/335466567.db2.gz PSNOQDXGWDFJJT-AWEZNQCLSA-N 1 3 315.486 3.678 20 0 DHADHO CSCc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000167116389 336019651 /nfs/dbraw/zinc/01/96/51/336019651.db2.gz IDKQXFMOOKCLLP-XNJGSVPQSA-N 1 3 310.482 3.507 20 0 DHADHO c1ccc([C@@H]2C[C@H]2C[NH2+]CC2CCN(c3ccncc3)CC2)cc1 ZINC000417955216 336031119 /nfs/dbraw/zinc/03/11/19/336031119.db2.gz CUXKTWKSIOISGA-FPOVZHCZSA-N 1 3 321.468 3.691 20 0 DHADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000583661359 336035712 /nfs/dbraw/zinc/03/57/12/336035712.db2.gz LFGHZSWYZRAKOJ-OAHLLOKOSA-N 1 3 310.844 3.643 20 0 DHADHO CC(C)SCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352822223 336257694 /nfs/dbraw/zinc/25/76/94/336257694.db2.gz DVXUEDJZZCGNIU-LJQANCHMSA-N 1 3 318.530 3.726 20 0 DHADHO CC(C)SCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352822223 336257695 /nfs/dbraw/zinc/25/76/95/336257695.db2.gz DVXUEDJZZCGNIU-LJQANCHMSA-N 1 3 318.530 3.726 20 0 DHADHO CN(C)CC1(C[NH2+]Cc2cscc2C(F)(F)F)CCCC1 ZINC000352861574 336282255 /nfs/dbraw/zinc/28/22/55/336282255.db2.gz IQGLYRSCZUQLGQ-UHFFFAOYSA-N 1 3 320.424 3.979 20 0 DHADHO CCCN(CCC[NH+](C)C)Cc1cccc(-c2cccnc2)c1 ZINC000584357718 336283927 /nfs/dbraw/zinc/28/39/27/336283927.db2.gz DNWOWACXBAAHGQ-UHFFFAOYSA-N 1 3 311.473 3.912 20 0 DHADHO Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c2ccccc2n1 ZINC000301346411 336301682 /nfs/dbraw/zinc/30/16/82/336301682.db2.gz GYIJQPUGHFLHDU-QGZVFWFLSA-N 1 3 309.457 3.998 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000514099838 336303653 /nfs/dbraw/zinc/30/36/53/336303653.db2.gz RISBIVPGVXAXMT-XYPHTWIQSA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000514099838 336303654 /nfs/dbraw/zinc/30/36/54/336303654.db2.gz RISBIVPGVXAXMT-XYPHTWIQSA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000514099838 336303655 /nfs/dbraw/zinc/30/36/55/336303655.db2.gz RISBIVPGVXAXMT-XYPHTWIQSA-N 1 3 308.416 3.502 20 0 DHADHO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ccccc2n1 ZINC000301770642 336328800 /nfs/dbraw/zinc/32/88/00/336328800.db2.gz IZTDUVUGGQHYKI-OXQOHEQNSA-N 1 3 321.468 3.996 20 0 DHADHO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2ccccc2n1 ZINC000301770642 336328801 /nfs/dbraw/zinc/32/88/01/336328801.db2.gz IZTDUVUGGQHYKI-OXQOHEQNSA-N 1 3 321.468 3.996 20 0 DHADHO CCC[N@H+](C)C[C@H]1CCN(c2cc(CC)nc3ccccc32)C1 ZINC000301801084 336330987 /nfs/dbraw/zinc/33/09/87/336330987.db2.gz SHZXSANOJAAJRH-MRXNPFEDSA-N 1 3 311.473 3.965 20 0 DHADHO CCC[N@@H+](C)C[C@H]1CCN(c2cc(CC)nc3ccccc32)C1 ZINC000301801084 336330988 /nfs/dbraw/zinc/33/09/88/336330988.db2.gz SHZXSANOJAAJRH-MRXNPFEDSA-N 1 3 311.473 3.965 20 0 DHADHO C[NH+]1CCC(C)(CNCc2cnc(-c3ccsc3)s2)CC1 ZINC000355748766 336520920 /nfs/dbraw/zinc/52/09/20/336520920.db2.gz XRLFRNHKJLPFDJ-UHFFFAOYSA-N 1 3 321.515 3.693 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@H]2CCCc3ccc(O)cc32)c1 ZINC000361116214 336739439 /nfs/dbraw/zinc/73/94/39/336739439.db2.gz BZHYLJJISOVRNL-FQEVSTJZSA-N 1 3 310.441 3.621 20 0 DHADHO FC(F)c1ccc(C[C@H]2CCN(CCC[NH+]3CCCC3)C2)cc1 ZINC000375159837 337004749 /nfs/dbraw/zinc/00/47/49/337004749.db2.gz NFGHEEQCZYQMRA-QGZVFWFLSA-N 1 3 322.443 3.975 20 0 DHADHO CC[NH+](CC)CCCC1CCN([C@@H](C)c2ccccn2)CC1 ZINC000122662821 337017798 /nfs/dbraw/zinc/01/77/98/337017798.db2.gz NKNDHOCVHXLETE-KRWDZBQOSA-N 1 3 303.494 3.977 20 0 DHADHO CC[NH+](CC)CCCC1CCN([C@H](C)c2ccccn2)CC1 ZINC000122663060 337017850 /nfs/dbraw/zinc/01/78/50/337017850.db2.gz NKNDHOCVHXLETE-QGZVFWFLSA-N 1 3 303.494 3.977 20 0 DHADHO CCC[NH+]1CCC(CN[C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000122673305 337018010 /nfs/dbraw/zinc/01/80/10/337018010.db2.gz PRXDDZSSCGEHOT-SFHVURJKSA-N 1 3 320.452 3.751 20 0 DHADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000376147565 337028386 /nfs/dbraw/zinc/02/83/86/337028386.db2.gz CIKSBWQDXBXNEX-BPQIPLTHSA-N 1 3 308.510 3.577 20 0 DHADHO C([NH2+]C1CCN(CC2CCCCC2)CC1)[C@@H]1CCCSC1 ZINC000376824961 337042138 /nfs/dbraw/zinc/04/21/38/337042138.db2.gz ZDRBPGASAHYFCV-KRWDZBQOSA-N 1 3 310.551 3.764 20 0 DHADHO c1ccc(C[N@H+]2CCC3(C2)CCN(Cc2ccncc2)CC3)cc1 ZINC000377196399 337048518 /nfs/dbraw/zinc/04/85/18/337048518.db2.gz IGJHVDVBASMBRW-UHFFFAOYSA-N 1 3 321.468 3.570 20 0 DHADHO c1ccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccncc2)CC3)cc1 ZINC000377196399 337048519 /nfs/dbraw/zinc/04/85/19/337048519.db2.gz IGJHVDVBASMBRW-UHFFFAOYSA-N 1 3 321.468 3.570 20 0 DHADHO CSC1(C[NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000377541275 337054651 /nfs/dbraw/zinc/05/46/51/337054651.db2.gz LOYCUISOLSKUGI-UHFFFAOYSA-N 1 3 322.493 3.523 20 0 DHADHO CN1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@@H]1c1ccccc1 ZINC000377766730 337060427 /nfs/dbraw/zinc/06/04/27/337060427.db2.gz ZUGOYYOBCPVQIW-LPHOPBHVSA-N 1 3 316.395 3.747 20 0 DHADHO Cc1ccc(CC[C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)o1 ZINC000378184821 337067839 /nfs/dbraw/zinc/06/78/39/337067839.db2.gz PXMQBZDXCTZWPS-OAHLLOKOSA-N 1 3 304.478 3.906 20 0 DHADHO Cc1ccc(CC[C@@H](C)NC2CC[NH+](C3CCCC3)CC2)o1 ZINC000378184821 337067840 /nfs/dbraw/zinc/06/78/40/337067840.db2.gz PXMQBZDXCTZWPS-OAHLLOKOSA-N 1 3 304.478 3.906 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)CC3 ZINC000378491745 337074142 /nfs/dbraw/zinc/07/41/42/337074142.db2.gz GOSBESUDNYHHBW-IKGGRYGDSA-N 1 3 323.484 3.550 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)CC3 ZINC000378491745 337074143 /nfs/dbraw/zinc/07/41/43/337074143.db2.gz GOSBESUDNYHHBW-IKGGRYGDSA-N 1 3 323.484 3.550 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)CC3 ZINC000378491745 337074144 /nfs/dbraw/zinc/07/41/44/337074144.db2.gz GOSBESUDNYHHBW-IKGGRYGDSA-N 1 3 323.484 3.550 20 0 DHADHO C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)c1sccc1Br ZINC000514667427 337147655 /nfs/dbraw/zinc/14/76/55/337147655.db2.gz KJTLRYMOMHWXQQ-GARJFASQSA-N 1 3 317.296 3.679 20 0 DHADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000178035082 337159947 /nfs/dbraw/zinc/15/99/47/337159947.db2.gz CPJZEYGUAQNCEK-ZIFCJYIRSA-N 1 3 304.478 3.617 20 0 DHADHO CC(C)[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000582786964 337164397 /nfs/dbraw/zinc/16/43/97/337164397.db2.gz ROSZQTPDJZMGAR-SFHVURJKSA-N 1 3 304.384 3.910 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(-c2ccncc2)cc1 ZINC000180935017 337178751 /nfs/dbraw/zinc/17/87/51/337178751.db2.gz OJZVFAUZVPLRGG-JXFKEZNVSA-N 1 3 309.457 3.884 20 0 DHADHO C[C@@H]1C[C@H](NCCc2nc(C3CCCCC3)cs2)CC[N@@H+]1C ZINC000181016082 337179218 /nfs/dbraw/zinc/17/92/18/337179218.db2.gz SVRGVQFNJMVVPP-GDBMZVCRSA-N 1 3 321.534 3.806 20 0 DHADHO C[C@@H]1C[C@H](NCCc2nc(C3CCCCC3)cs2)CC[N@H+]1C ZINC000181016082 337179219 /nfs/dbraw/zinc/17/92/19/337179219.db2.gz SVRGVQFNJMVVPP-GDBMZVCRSA-N 1 3 321.534 3.806 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000191851703 337301652 /nfs/dbraw/zinc/30/16/52/337301652.db2.gz UFOYRJKYPXAGQJ-HKUYNNGSSA-N 1 3 316.489 3.617 20 0 DHADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000191851703 337301653 /nfs/dbraw/zinc/30/16/53/337301653.db2.gz UFOYRJKYPXAGQJ-HKUYNNGSSA-N 1 3 316.489 3.617 20 0 DHADHO CC[NH+]1CCC(CN[C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000584403622 337319802 /nfs/dbraw/zinc/31/98/02/337319802.db2.gz CRXHNPRZUCGWHQ-KRWDZBQOSA-N 1 3 322.880 3.875 20 0 DHADHO Clc1cccc2c1CC[C@@H]2N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420306225 337499043 /nfs/dbraw/zinc/49/90/43/337499043.db2.gz ACBXQJQJXRDFDW-KSSFIOAISA-N 1 3 304.865 3.649 20 0 DHADHO C[C@H](c1ccc(Cl)cc1)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420393413 337500498 /nfs/dbraw/zinc/50/04/98/337500498.db2.gz QKQYXIVWGYGPPW-BVGQSLNGSA-N 1 3 322.880 3.619 20 0 DHADHO C[NH+](C)C1CCC(NCc2csc(-c3ccsc3)n2)CC1 ZINC000421378807 337528997 /nfs/dbraw/zinc/52/89/97/337528997.db2.gz WETQKXINGLKHSU-UHFFFAOYSA-N 1 3 321.515 3.834 20 0 DHADHO C[NH2+]CC1CCN(Cc2cnc(C3CCCCC3)s2)CC1 ZINC000571762309 337575477 /nfs/dbraw/zinc/57/54/77/337575477.db2.gz HBDHNQHSNFAGFK-UHFFFAOYSA-N 1 3 307.507 3.622 20 0 DHADHO Cc1cccc2c1CC[C@@H]2NCc1cccc(OCC[NH+](C)C)c1 ZINC000162541007 337635314 /nfs/dbraw/zinc/63/53/14/337635314.db2.gz NLGGWSUUHFJJHA-NRFANRHFSA-N 1 3 324.468 3.713 20 0 DHADHO Cc1ccc2c(c1)[C@H](NCc1cccc(OCC[NH+](C)C)c1)CC2 ZINC000162577238 337640615 /nfs/dbraw/zinc/64/06/15/337640615.db2.gz WCOHKPHQYUERMW-OAQYLSRUSA-N 1 3 324.468 3.713 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825566 337688202 /nfs/dbraw/zinc/68/82/02/337688202.db2.gz JSMRSDRRUZDGAF-CSMYWGQOSA-N 1 3 324.415 3.643 20 0 DHADHO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422838029 337688650 /nfs/dbraw/zinc/68/86/50/337688650.db2.gz NPWPRYZCUZGBMD-KBRIMQKVSA-N 1 3 307.507 3.564 20 0 DHADHO C[C@H](Cc1ccc(Cl)cc1Cl)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422856760 337689158 /nfs/dbraw/zinc/68/91/58/337689158.db2.gz GCCJMAPMZWKBCB-FMVWZJFZSA-N 1 3 313.272 3.797 20 0 DHADHO Fc1ccc([C@@H]2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423080462 337698598 /nfs/dbraw/zinc/69/85/98/337698598.db2.gz AHCAOLISUQWPCP-DABHTEOTSA-N 1 3 316.464 3.972 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423093281 337699067 /nfs/dbraw/zinc/69/90/67/337699067.db2.gz GVZCDLJCFDTAHB-IIAWOOMASA-N 1 3 313.420 3.585 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423098637 337699301 /nfs/dbraw/zinc/69/93/01/337699301.db2.gz CZYUPKLJEFZXEL-ZIBATOQPSA-N 1 3 316.367 3.752 20 0 DHADHO CC(C)CCn1nc(CN[C@H](C)CCCC[NH3+])c2ccccc21 ZINC000423153964 337701993 /nfs/dbraw/zinc/70/19/93/337701993.db2.gz OJKBUZCIPGHXAK-MRXNPFEDSA-N 1 3 316.493 3.690 20 0 DHADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423167576 337702204 /nfs/dbraw/zinc/70/22/04/337702204.db2.gz SKVMJNCROUCETO-SIUPPRGNSA-N 1 3 306.881 3.954 20 0 DHADHO Fc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423170424 337702316 /nfs/dbraw/zinc/70/23/16/337702316.db2.gz LVMKIBVKEWCQQO-CSFFLVESSA-N 1 3 302.437 3.582 20 0 DHADHO Fc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423170425 337702322 /nfs/dbraw/zinc/70/23/22/337702322.db2.gz LVMKIBVKEWCQQO-UWAKZDDMSA-N 1 3 302.437 3.582 20 0 DHADHO FC(F)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000423173139 337702332 /nfs/dbraw/zinc/70/23/32/337702332.db2.gz XCGLFSQCBKYREH-UIEKQHFFSA-N 1 3 300.437 3.711 20 0 DHADHO Fc1ccc(C[C@@H](NC[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423218745 337705167 /nfs/dbraw/zinc/70/51/67/337705167.db2.gz VYPHGMRCBLUEHD-FXAWDEMLSA-N 1 3 312.432 3.699 20 0 DHADHO C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423400449 337715673 /nfs/dbraw/zinc/71/56/73/337715673.db2.gz VJLDIURLFMLTKQ-CQSZACIVSA-N 1 3 306.409 3.757 20 0 DHADHO Cc1cc([C@H](N[C@H](C)CCCC[NH3+])c2cccnc2)ccc1F ZINC000423419092 337716558 /nfs/dbraw/zinc/71/65/58/337716558.db2.gz AJTZFHIWSLDTEC-BEFAXECRSA-N 1 3 315.436 3.726 20 0 DHADHO CC[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423424022 337716834 /nfs/dbraw/zinc/71/68/34/337716834.db2.gz CHIAKMHVJVBHCO-ARFHVFGLSA-N 1 3 324.415 3.717 20 0 DHADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423425762 337716952 /nfs/dbraw/zinc/71/69/52/337716952.db2.gz HCJUMAZSCYNQPJ-MNOVXSKESA-N 1 3 304.356 3.595 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423392419 337718314 /nfs/dbraw/zinc/71/83/14/337718314.db2.gz QCICHIKCNLAEKM-CYBMUJFWSA-N 1 3 316.395 3.679 20 0 DHADHO FC(F)(F)c1ccc([C@@H]2CCCC[C@@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423438705 337719259 /nfs/dbraw/zinc/71/92/59/337719259.db2.gz RSRWJWGNGXUIIZ-ZOFXXKQRSA-N 1 3 324.390 3.539 20 0 DHADHO Cc1ccc([C@@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CCCC2)o1 ZINC000423443661 337719483 /nfs/dbraw/zinc/71/94/83/337719483.db2.gz QOPZQGABAICLKD-SCTDSRPQSA-N 1 3 302.462 3.797 20 0 DHADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCCNC1CC1 ZINC000423549084 337725439 /nfs/dbraw/zinc/72/54/39/337725439.db2.gz HHAAAQLYCGOCHV-CYBMUJFWSA-N 1 3 314.395 3.758 20 0 DHADHO C[NH+](C)CCC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000092380945 337903232 /nfs/dbraw/zinc/90/32/32/337903232.db2.gz GAOGGZQVRSWEHG-UHFFFAOYSA-N 1 3 304.409 3.736 20 0 DHADHO C[C@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCNC1 ZINC000514824908 337971360 /nfs/dbraw/zinc/97/13/60/337971360.db2.gz CFQXBIDITLEFKJ-IMJJTQAJSA-N 1 3 314.395 3.700 20 0 DHADHO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@@H](C)CN(C)C ZINC000425938048 338018995 /nfs/dbraw/zinc/01/89/95/338018995.db2.gz VDDNGDWBRRIQSW-CRAIPNDOSA-N 1 3 304.478 3.811 20 0 DHADHO Cc1ccc(CCC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cn1 ZINC000428270827 338045056 /nfs/dbraw/zinc/04/50/56/338045056.db2.gz WFEYTMLXEHAHRM-HKUYNNGSSA-N 1 3 315.505 3.565 20 0 DHADHO CCC[NH+]1CCC(CNCc2nc3ccc(F)cc3s2)CC1 ZINC000428846422 338062060 /nfs/dbraw/zinc/06/20/60/338062060.db2.gz CLUMVGCXPCQIBQ-UHFFFAOYSA-N 1 3 321.465 3.647 20 0 DHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@H]4CC45CCCC5)[C@@H]3C2)cc1 ZINC000429401697 338079759 /nfs/dbraw/zinc/07/97/59/338079759.db2.gz AZYDYBRSMGUIOA-YRPNKDGESA-N 1 3 310.485 3.819 20 0 DHADHO COC1(C[C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CCC1 ZINC000429424266 338080494 /nfs/dbraw/zinc/08/04/94/338080494.db2.gz ZPGFEWZVPLISBF-BBWFWOEESA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](CCSc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000431602317 338134623 /nfs/dbraw/zinc/13/46/23/338134623.db2.gz FQZOFXMAPXILFP-QZTJIDSGSA-N 1 3 318.530 3.975 20 0 DHADHO C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000431602317 338134624 /nfs/dbraw/zinc/13/46/24/338134624.db2.gz FQZOFXMAPXILFP-QZTJIDSGSA-N 1 3 318.530 3.975 20 0 DHADHO C[C@H](CCSc1ccccc1)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000431602317 338134625 /nfs/dbraw/zinc/13/46/25/338134625.db2.gz FQZOFXMAPXILFP-QZTJIDSGSA-N 1 3 318.530 3.975 20 0 DHADHO C[NH+]1CCC(C)(CNCc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432257310 338151521 /nfs/dbraw/zinc/15/15/21/338151521.db2.gz JLCVJNONPXNSJN-UHFFFAOYSA-N 1 3 319.251 3.954 20 0 DHADHO C[C@@H]1CC[C@@H](NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000432422030 338155955 /nfs/dbraw/zinc/15/59/55/338155955.db2.gz CDUVQJHGPIXKSM-MBOZVWFJSA-N 1 3 316.489 3.716 20 0 DHADHO C[C@@H]1CC[C@@H](NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000432422030 338155956 /nfs/dbraw/zinc/15/59/56/338155956.db2.gz CDUVQJHGPIXKSM-MBOZVWFJSA-N 1 3 316.489 3.716 20 0 DHADHO Cc1cc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc(C)c1F ZINC000432431559 338156336 /nfs/dbraw/zinc/15/63/36/338156336.db2.gz WSRVIVGNAYDGOD-IRXDYDNUSA-N 1 3 322.468 3.594 20 0 DHADHO Cc1cc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc(C)c1F ZINC000432431559 338156337 /nfs/dbraw/zinc/15/63/37/338156337.db2.gz WSRVIVGNAYDGOD-IRXDYDNUSA-N 1 3 322.468 3.594 20 0 DHADHO COc1ccc2cc(C[N@@H+]3CCC[C@@H](N(C)C)CC3)ccc2c1 ZINC000432795784 338168235 /nfs/dbraw/zinc/16/82/35/338168235.db2.gz YXWZNQOPJPECNP-LJQANCHMSA-N 1 3 312.457 3.765 20 0 DHADHO COc1ccc2cc(C[N@H+]3CCC[C@@H](N(C)C)CC3)ccc2c1 ZINC000432795784 338168236 /nfs/dbraw/zinc/16/82/36/338168236.db2.gz YXWZNQOPJPECNP-LJQANCHMSA-N 1 3 312.457 3.765 20 0 DHADHO COc1cc(CN2CCC[C@H]2C)cc(C[N@@H+]2CCC[C@H]2C)c1 ZINC000432832528 338169863 /nfs/dbraw/zinc/16/98/63/338169863.db2.gz OWJYCCPRVIIXEG-HZPDHXFCSA-N 1 3 302.462 3.664 20 0 DHADHO COc1cc(CN2CCC[C@H]2C)cc(C[N@H+]2CCC[C@H]2C)c1 ZINC000432832528 338169864 /nfs/dbraw/zinc/16/98/64/338169864.db2.gz OWJYCCPRVIIXEG-HZPDHXFCSA-N 1 3 302.462 3.664 20 0 DHADHO CCc1ccc([C@H]2CCN(CCC[NH+]3CCCCC3)C2)cc1 ZINC000433056842 338179058 /nfs/dbraw/zinc/17/90/58/338179058.db2.gz JENRVVFEBHBPDR-FQEVSTJZSA-N 1 3 300.490 3.914 20 0 DHADHO CC[C@@H](F)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433166257 338183747 /nfs/dbraw/zinc/18/37/47/338183747.db2.gz JSBOMXHKJWACPE-GOSISDBHSA-N 1 3 304.453 3.723 20 0 DHADHO CSc1ccc(CC[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000436306795 338268088 /nfs/dbraw/zinc/26/80/88/338268088.db2.gz PGFMMJPDNJVBIQ-UHFFFAOYSA-N 1 3 306.519 3.804 20 0 DHADHO CSc1ccc(CCNC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000436306795 338268089 /nfs/dbraw/zinc/26/80/89/338268089.db2.gz PGFMMJPDNJVBIQ-UHFFFAOYSA-N 1 3 306.519 3.804 20 0 DHADHO C[C@@H](C[NH2+]CCCCOc1ccccc1)CN1CCCCC1 ZINC000438078144 338330186 /nfs/dbraw/zinc/33/01/86/338330186.db2.gz KJLWQXZCEHRTGE-SFHVURJKSA-N 1 3 304.478 3.557 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCSc2ccc(F)cc2)[C@@H](C)C1 ZINC000440698809 338395357 /nfs/dbraw/zinc/39/53/57/338395357.db2.gz WWXYNNTWCOWFEY-WMLDXEAASA-N 1 3 310.482 3.580 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCSc2ccc(F)cc2)[C@@H](C)C1 ZINC000440698809 338395358 /nfs/dbraw/zinc/39/53/58/338395358.db2.gz WWXYNNTWCOWFEY-WMLDXEAASA-N 1 3 310.482 3.580 20 0 DHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449170980 338598957 /nfs/dbraw/zinc/59/89/57/338598957.db2.gz JVTVRFCXOOEVNQ-VZDIDWBNSA-N 1 3 308.510 3.719 20 0 DHADHO CC(C)C1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000459432269 339028815 /nfs/dbraw/zinc/02/88/15/339028815.db2.gz KXBREJUTJYDZHB-UHFFFAOYSA-N 1 3 301.478 3.855 20 0 DHADHO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459466991 339030877 /nfs/dbraw/zinc/03/08/77/339030877.db2.gz QCSNKFDMIDJOHV-IERDGZPVSA-N 1 3 321.468 3.964 20 0 DHADHO CC(C)O[C@H]1C[C@@H](NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000459639716 339039737 /nfs/dbraw/zinc/03/97/37/339039737.db2.gz VWBFMLPEJJHYRH-OWYHZJEWSA-N 1 3 308.510 3.575 20 0 DHADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000459639716 339039738 /nfs/dbraw/zinc/03/97/38/339039738.db2.gz VWBFMLPEJJHYRH-OWYHZJEWSA-N 1 3 308.510 3.575 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(F)cc2C(F)(F)F)C1 ZINC000459722427 339044246 /nfs/dbraw/zinc/04/42/46/339044246.db2.gz BHWRUSBBLDLRNW-LBPRGKRZSA-N 1 3 318.358 3.666 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(F)cc2C(F)(F)F)C1 ZINC000459722427 339044247 /nfs/dbraw/zinc/04/42/47/339044247.db2.gz BHWRUSBBLDLRNW-LBPRGKRZSA-N 1 3 318.358 3.666 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2cnc(-c3ccccc3)s2)C1 ZINC000459725968 339044570 /nfs/dbraw/zinc/04/45/70/339044570.db2.gz FTZAJFWTCASDPY-HNNXBMFYSA-N 1 3 315.486 3.632 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2cnc(-c3ccccc3)s2)C1 ZINC000459725968 339044571 /nfs/dbraw/zinc/04/45/71/339044571.db2.gz FTZAJFWTCASDPY-HNNXBMFYSA-N 1 3 315.486 3.632 20 0 DHADHO COc1ccc(F)cc1CNCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000462798360 339089576 /nfs/dbraw/zinc/08/95/76/339089576.db2.gz KNOQBVCPIKUCHN-HOTGVXAUSA-N 1 3 322.468 3.682 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000463025050 339101125 /nfs/dbraw/zinc/10/11/25/339101125.db2.gz NRLSSDVXMVPAAI-FGTMMUONSA-N 1 3 310.526 3.536 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000463025050 339101126 /nfs/dbraw/zinc/10/11/26/339101126.db2.gz NRLSSDVXMVPAAI-FGTMMUONSA-N 1 3 310.526 3.536 20 0 DHADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000463025050 339101127 /nfs/dbraw/zinc/10/11/27/339101127.db2.gz NRLSSDVXMVPAAI-FGTMMUONSA-N 1 3 310.526 3.536 20 0 DHADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCC2CCOCC2)C1 ZINC000463281234 339113169 /nfs/dbraw/zinc/11/31/69/339113169.db2.gz PFXIQGSOXJWQIV-ICSRJNTNSA-N 1 3 322.537 3.780 20 0 DHADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCC2CCOCC2)C1 ZINC000463281234 339113170 /nfs/dbraw/zinc/11/31/70/339113170.db2.gz PFXIQGSOXJWQIV-ICSRJNTNSA-N 1 3 322.537 3.780 20 0 DHADHO C1CCC(N2CCC([NH2+][C@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)C1 ZINC000466347974 339200350 /nfs/dbraw/zinc/20/03/50/339200350.db2.gz UTZAHIHOJBATPY-LMMKCTJWSA-N 1 3 320.521 3.578 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)C1 ZINC000467363700 339234152 /nfs/dbraw/zinc/23/41/52/339234152.db2.gz DLIFMDLVKKFQSW-YDZRNGNQSA-N 1 3 315.505 3.879 20 0 DHADHO OC[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)CC1CCCC1 ZINC000467434732 339238262 /nfs/dbraw/zinc/23/82/62/339238262.db2.gz WEZXFZVUGUGPKI-SFHVURJKSA-N 1 3 322.537 3.562 20 0 DHADHO OC[C@H](CNC1CC[NH+](C2CCCCC2)CC1)CC1CCCC1 ZINC000467434732 339238263 /nfs/dbraw/zinc/23/82/63/339238263.db2.gz WEZXFZVUGUGPKI-SFHVURJKSA-N 1 3 322.537 3.562 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000467435338 339238451 /nfs/dbraw/zinc/23/84/51/339238451.db2.gz XVRKJWFJBTVJHC-BQFCYCMXSA-N 1 3 304.478 3.714 20 0 DHADHO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000469303689 339285662 /nfs/dbraw/zinc/28/56/62/339285662.db2.gz VPUKKUANRISQPR-ZIFCJYIRSA-N 1 3 318.505 3.992 20 0 DHADHO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000469806763 339301359 /nfs/dbraw/zinc/30/13/59/339301359.db2.gz LEWNRQOBUJFWKU-CVEARBPZSA-N 1 3 304.478 3.856 20 0 DHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4cccc(F)c4)s3)C[C@@H]12 ZINC000469886028 339303771 /nfs/dbraw/zinc/30/37/71/339303771.db2.gz ZLFHHXJJXNYWSB-KBRIMQKVSA-N 1 3 316.445 3.723 20 0 DHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4ccccc4F)s3)C[C@H]12 ZINC000469885025 339303794 /nfs/dbraw/zinc/30/37/94/339303794.db2.gz RPCXKFVZFKTFQF-ISTRZQFTSA-N 1 3 316.445 3.723 20 0 DHADHO CC[NH2+]CC1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000470003721 339308142 /nfs/dbraw/zinc/30/81/42/339308142.db2.gz SQJRACTXXLFULJ-UHFFFAOYSA-N 1 3 316.420 3.907 20 0 DHADHO CCCN(Cc1ccc2cc(OC)ccc2c1)C1CC[NH2+]CC1 ZINC000470010787 339308412 /nfs/dbraw/zinc/30/84/12/339308412.db2.gz BMANNGHUSOBARJ-UHFFFAOYSA-N 1 3 312.457 3.812 20 0 DHADHO Cc1ccc([C@@H]2CCN(CCC[NH+]3CCCCC3)C2)c(C)c1 ZINC000471020200 339334590 /nfs/dbraw/zinc/33/45/90/339334590.db2.gz SZBYGQLFSDBRKB-LJQANCHMSA-N 1 3 300.490 3.969 20 0 DHADHO COc1ccc2cc(C[N@@H+]3CCCC34CCN(C)CC4)ccc2c1 ZINC000472609945 339375256 /nfs/dbraw/zinc/37/52/56/339375256.db2.gz KQOXKRASPLHIFN-UHFFFAOYSA-N 1 3 324.468 3.909 20 0 DHADHO COc1ccc2cc(C[N@H+]3CCCC34CCN(C)CC4)ccc2c1 ZINC000472609945 339375257 /nfs/dbraw/zinc/37/52/57/339375257.db2.gz KQOXKRASPLHIFN-UHFFFAOYSA-N 1 3 324.468 3.909 20 0 DHADHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000484505725 339688589 /nfs/dbraw/zinc/68/85/89/339688589.db2.gz VSKITCCOIALGOY-FRQCXROJSA-N 1 3 304.478 3.856 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000501375481 340079395 /nfs/dbraw/zinc/07/93/95/340079395.db2.gz BNVCCHQAFBZDJI-ROUUACIJSA-N 1 3 318.505 3.964 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000501375481 340079396 /nfs/dbraw/zinc/07/93/96/340079396.db2.gz BNVCCHQAFBZDJI-ROUUACIJSA-N 1 3 318.505 3.964 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000501416396 340080406 /nfs/dbraw/zinc/08/04/06/340080406.db2.gz DOSVSYBATUJXSA-ROUUACIJSA-N 1 3 318.505 3.964 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000501416396 340080407 /nfs/dbraw/zinc/08/04/07/340080407.db2.gz DOSVSYBATUJXSA-ROUUACIJSA-N 1 3 318.505 3.964 20 0 DHADHO COc1ccc(CN(CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)C2CC2)cc1 ZINC000502719486 340112044 /nfs/dbraw/zinc/11/20/44/340112044.db2.gz BWTSYUNOFSPCGF-LPHOPBHVSA-N 1 3 316.489 3.780 20 0 DHADHO COc1ccc(CN(CC[C@@H]2CCC[N@H+]2C)[C@@H](C)C2CC2)cc1 ZINC000502719486 340112045 /nfs/dbraw/zinc/11/20/45/340112045.db2.gz BWTSYUNOFSPCGF-LPHOPBHVSA-N 1 3 316.489 3.780 20 0 DHADHO C[NH+](C)CC1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000506894320 340203397 /nfs/dbraw/zinc/20/33/97/340203397.db2.gz WCTALRCIEXPAAJ-UHFFFAOYSA-N 1 3 306.837 3.860 20 0 DHADHO COc1c(C)cc(CN2CCC(C[NH+]3CCCC3)CC2)cc1C ZINC000506942949 340204065 /nfs/dbraw/zinc/20/40/65/340204065.db2.gz DMYRKWFSUZLUBA-UHFFFAOYSA-N 1 3 316.489 3.620 20 0 DHADHO CN1CCC[C@@H](C[N@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000508515681 340245438 /nfs/dbraw/zinc/24/54/38/340245438.db2.gz DVXDLNLTDIAOBY-CYBMUJFWSA-N 1 3 318.358 3.618 20 0 DHADHO CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000508515681 340245439 /nfs/dbraw/zinc/24/54/39/340245439.db2.gz DVXDLNLTDIAOBY-CYBMUJFWSA-N 1 3 318.358 3.618 20 0 DHADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000510668410 340305749 /nfs/dbraw/zinc/30/57/49/340305749.db2.gz IWEKTFSGPQDGGW-HMXCVIKNSA-N 1 3 312.501 3.719 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000510735347 340308760 /nfs/dbraw/zinc/30/87/60/340308760.db2.gz NTROWCVGFXHOCQ-QLFBSQMISA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000510735347 340308761 /nfs/dbraw/zinc/30/87/61/340308761.db2.gz NTROWCVGFXHOCQ-QLFBSQMISA-N 1 3 308.416 3.502 20 0 DHADHO CCC1(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000512963146 340385760 /nfs/dbraw/zinc/38/57/60/340385760.db2.gz AFZWKIPYFKUOTN-MJGOQNOKSA-N 1 3 322.537 3.826 20 0 DHADHO C[C@H](Cc1cccc(O)c1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000513221009 340397995 /nfs/dbraw/zinc/39/79/95/340397995.db2.gz ASGSMFAAONUSFG-MRXNPFEDSA-N 1 3 316.489 3.710 20 0 DHADHO C[C@H](Cc1cccc(O)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000513221009 340397996 /nfs/dbraw/zinc/39/79/96/340397996.db2.gz ASGSMFAAONUSFG-MRXNPFEDSA-N 1 3 316.489 3.710 20 0 DHADHO C[NH+](C)C1CCC(NCc2csc(-c3ccccc3)n2)CC1 ZINC000513716625 340421470 /nfs/dbraw/zinc/42/14/70/340421470.db2.gz FOWSORYQBUTMPC-UHFFFAOYSA-N 1 3 315.486 3.773 20 0 DHADHO CCC[NH+]1CCC(CN[C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194026898 340588119 /nfs/dbraw/zinc/58/81/19/340588119.db2.gz BYRDNCDYHZWDGR-GOSISDBHSA-N 1 3 324.896 3.739 20 0 DHADHO C[NH+]1CCC(C)(CNCc2cccc(Cl)c2Cl)CC1 ZINC000227329374 340598039 /nfs/dbraw/zinc/59/80/39/340598039.db2.gz MRUXPDOYXNNAQA-UHFFFAOYSA-N 1 3 301.261 3.815 20 0 DHADHO CC[C@@H](CCc1ccccc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000530218707 340783012 /nfs/dbraw/zinc/78/30/12/340783012.db2.gz MZZLRJNQHZBRIB-QAPCUYQASA-N 1 3 311.473 3.911 20 0 DHADHO CC[C@H](CCc1ccccc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000530218674 340783022 /nfs/dbraw/zinc/78/30/22/340783022.db2.gz MZZLRJNQHZBRIB-CRAIPNDOSA-N 1 3 311.473 3.911 20 0 DHADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1ccc(OC)cc1F ZINC000123778307 340794901 /nfs/dbraw/zinc/79/49/01/340794901.db2.gz HYZADNPCYZYYFD-CABCVRRESA-N 1 3 310.457 3.995 20 0 DHADHO C[C@@H]1C[C@H]1c1ccc(CN2CCC(CCC[NH+](C)C)CC2)o1 ZINC000538752476 340847650 /nfs/dbraw/zinc/84/76/50/340847650.db2.gz OERGOVZMCKVQKQ-CRAIPNDOSA-N 1 3 304.478 3.957 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1cccc(OCCN(C)C)c1 ZINC000542501428 341010843 /nfs/dbraw/zinc/01/08/43/341010843.db2.gz YSGWPXXNQISBAC-YJBOKZPZSA-N 1 3 322.518 3.563 20 0 DHADHO FC(F)(F)CSCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000543770991 341057848 /nfs/dbraw/zinc/05/78/48/341057848.db2.gz IHTQNTIMFMBNCG-UHFFFAOYSA-N 1 3 324.456 3.669 20 0 DHADHO FC(F)(F)CSCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000543770991 341057849 /nfs/dbraw/zinc/05/78/49/341057849.db2.gz IHTQNTIMFMBNCG-UHFFFAOYSA-N 1 3 324.456 3.669 20 0 DHADHO CC[NH+](CC)CCCN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000131435173 341087507 /nfs/dbraw/zinc/08/75/07/341087507.db2.gz OQMIJPFPAVIVGF-MRXNPFEDSA-N 1 3 314.477 3.563 20 0 DHADHO Cc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc(C)c1O ZINC000564286324 341114547 /nfs/dbraw/zinc/11/45/47/341114547.db2.gz HYAVYDYRFJDEOE-UHFFFAOYSA-N 1 3 304.478 3.561 20 0 DHADHO Cc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc(C)c1O ZINC000564286324 341114548 /nfs/dbraw/zinc/11/45/48/341114548.db2.gz HYAVYDYRFJDEOE-UHFFFAOYSA-N 1 3 304.478 3.561 20 0 DHADHO c1ccc(NCCC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000132004203 341114793 /nfs/dbraw/zinc/11/47/93/341114793.db2.gz ZNXKJPNTMRZHLC-UHFFFAOYSA-N 1 3 315.505 3.875 20 0 DHADHO c1ccc(NCCCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000132004203 341114794 /nfs/dbraw/zinc/11/47/94/341114794.db2.gz ZNXKJPNTMRZHLC-UHFFFAOYSA-N 1 3 315.505 3.875 20 0 DHADHO Cc1ccc(C(=O)CCN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000548159178 341250323 /nfs/dbraw/zinc/25/03/23/341250323.db2.gz HYRJBEFZCHMAIU-UHFFFAOYSA-N 1 3 316.489 3.620 20 0 DHADHO Cc1ccc(C(=O)CCN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000548159178 341250324 /nfs/dbraw/zinc/25/03/24/341250324.db2.gz HYRJBEFZCHMAIU-UHFFFAOYSA-N 1 3 316.489 3.620 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OC(C)C)[C@@H](C)C1 ZINC000245413472 341292339 /nfs/dbraw/zinc/29/23/39/341292339.db2.gz BLRWIFKOGNTPCG-FUHWJXTLSA-N 1 3 304.478 3.636 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OC(C)C)[C@@H](C)C1 ZINC000245413472 341292340 /nfs/dbraw/zinc/29/23/40/341292340.db2.gz BLRWIFKOGNTPCG-FUHWJXTLSA-N 1 3 304.478 3.636 20 0 DHADHO C[C@H](F)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000551265706 341336146 /nfs/dbraw/zinc/33/61/46/341336146.db2.gz YRMTYADLXRGKKP-JCHJZTRSSA-N 1 3 304.453 3.625 20 0 DHADHO CC(C)c1ccccc1OCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000246460786 341349601 /nfs/dbraw/zinc/34/96/01/341349601.db2.gz PVRFYHQWVCZVRK-LZLYRXPVSA-N 1 3 304.478 3.507 20 0 DHADHO CC(C)c1ccccc1OCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246460786 341349602 /nfs/dbraw/zinc/34/96/02/341349602.db2.gz PVRFYHQWVCZVRK-LZLYRXPVSA-N 1 3 304.478 3.507 20 0 DHADHO Fc1ccc2c(c1)[C@H](N1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)CC2 ZINC000246818761 341357369 /nfs/dbraw/zinc/35/73/69/341357369.db2.gz NPIUVWDQZACWFY-RYGJVYDSSA-N 1 3 314.448 3.762 20 0 DHADHO Fc1ccc2c(c1)[C@H](N1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)CC2 ZINC000246818761 341357370 /nfs/dbraw/zinc/35/73/70/341357370.db2.gz NPIUVWDQZACWFY-RYGJVYDSSA-N 1 3 314.448 3.762 20 0 DHADHO CC[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000246864570 341357926 /nfs/dbraw/zinc/35/79/26/341357926.db2.gz CQRPLHAMQNSHDA-JYYAWHABSA-N 1 3 324.896 3.816 20 0 DHADHO CC[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000246864570 341357927 /nfs/dbraw/zinc/35/79/27/341357927.db2.gz CQRPLHAMQNSHDA-JYYAWHABSA-N 1 3 324.896 3.816 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000246894971 341358369 /nfs/dbraw/zinc/35/83/69/341358369.db2.gz FOEZZVBTIWXZTK-NHYWBVRUSA-N 1 3 313.272 3.912 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2cccs2)[C@H](C)C1 ZINC000247003478 341359746 /nfs/dbraw/zinc/35/97/46/341359746.db2.gz KTXFLCRUAMRVJZ-ZACQAIPSSA-N 1 3 324.534 3.926 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2cccs2)[C@H](C)C1 ZINC000247003478 341359747 /nfs/dbraw/zinc/35/97/47/341359747.db2.gz KTXFLCRUAMRVJZ-ZACQAIPSSA-N 1 3 324.534 3.926 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000248397625 341376421 /nfs/dbraw/zinc/37/64/21/341376421.db2.gz IFDGSNBLKCYBFO-JZXOWHBKSA-N 1 3 316.489 3.999 20 0 DHADHO Fc1ccc2c(c1)CC[C@@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249095944 341393827 /nfs/dbraw/zinc/39/38/27/341393827.db2.gz LXZOBRMFHFXMAG-UWJYYQICSA-N 1 3 324.443 3.925 20 0 DHADHO Fc1ccc2c(c1)CC[C@@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249095944 341393828 /nfs/dbraw/zinc/39/38/28/341393828.db2.gz LXZOBRMFHFXMAG-UWJYYQICSA-N 1 3 324.443 3.925 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249269286 341395634 /nfs/dbraw/zinc/39/56/34/341395634.db2.gz JRGRBHRGJYDKEF-RBSFLKMASA-N 1 3 306.416 3.818 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000249385224 341396954 /nfs/dbraw/zinc/39/69/54/341396954.db2.gz ZEUVYHUCROTTOA-CHWSQXEVSA-N 1 3 300.368 3.698 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000249383684 341397002 /nfs/dbraw/zinc/39/70/02/341397002.db2.gz WJTSDFUVUGDDML-OCCSQVGLSA-N 1 3 309.523 3.741 20 0 DHADHO C[C@@H]1C[C@@H](NCc2cccc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000554734271 341462568 /nfs/dbraw/zinc/46/25/68/341462568.db2.gz IDRMPFYMPQXYKS-IIBYNOLFSA-N 1 3 324.468 3.965 20 0 DHADHO CC[NH+]1CCC(CN[C@@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000564509414 341502900 /nfs/dbraw/zinc/50/29/00/341502900.db2.gz XQOPZVMZNCIBPQ-GOSISDBHSA-N 1 3 310.432 3.983 20 0 DHADHO CC[NH+]1CCC(CN[C@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000564509434 341502963 /nfs/dbraw/zinc/50/29/63/341502963.db2.gz XQOPZVMZNCIBPQ-SFHVURJKSA-N 1 3 310.432 3.983 20 0 DHADHO C[NH+](C)CCCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000267286792 341590517 /nfs/dbraw/zinc/59/05/17/341590517.db2.gz WRVLBQYITSRVAO-LJQANCHMSA-N 1 3 300.421 3.847 20 0 DHADHO COc1cccc2c1CCC[C@H]2NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000573082236 341716461 /nfs/dbraw/zinc/71/64/61/341716461.db2.gz AMABXVIVPHZQJE-AUUYWEPGSA-N 1 3 310.441 3.882 20 0 DHADHO Nc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000576269209 341837159 /nfs/dbraw/zinc/83/71/59/341837159.db2.gz IARKCBZGRNBNTD-LWYYNNOASA-N 1 3 313.489 3.547 20 0 DHADHO CC(C)[C@@H](C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000177586400 341921560 /nfs/dbraw/zinc/92/15/60/341921560.db2.gz ONTBKVRHAMXTLJ-KRWDZBQOSA-N 1 3 317.521 3.599 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000365074370 519722335 /nfs/dbraw/zinc/72/23/35/519722335.db2.gz VYKBLOGTQSKZTO-YSTOQKLRSA-N 1 3 322.537 3.539 20 0 DHADHO CC(C)[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000181941451 519820975 /nfs/dbraw/zinc/82/09/75/519820975.db2.gz SZFIGZMWXGUUOO-ACJLOTCBSA-N 1 3 308.416 3.736 20 0 DHADHO CC(C)[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000181941451 519820976 /nfs/dbraw/zinc/82/09/76/519820976.db2.gz SZFIGZMWXGUUOO-ACJLOTCBSA-N 1 3 308.416 3.736 20 0 DHADHO CC(C)n1cc([C@H](C)NCCCC[NH+]2CCC(C)CC2)cn1 ZINC000158201550 519978207 /nfs/dbraw/zinc/97/82/07/519978207.db2.gz WTHGKGIKMZMPHU-KRWDZBQOSA-N 1 3 306.498 3.627 20 0 DHADHO CC(C)n1nccc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000337177274 520101431 /nfs/dbraw/zinc/10/14/31/520101431.db2.gz JMEYHACSVFUFLQ-UHFFFAOYSA-N 1 3 318.509 3.552 20 0 DHADHO CCOCCC[N@@H+]1CC[C@@H](N[C@@H](C)c2cccs2)[C@H](C)C1 ZINC000154483587 521707839 /nfs/dbraw/zinc/70/78/39/521707839.db2.gz AYTHYABSPIZFLN-OWCLPIDISA-N 1 3 310.507 3.536 20 0 DHADHO CCOCCC[N@H+]1CC[C@@H](N[C@@H](C)c2cccs2)[C@H](C)C1 ZINC000154483587 521707841 /nfs/dbraw/zinc/70/78/41/521707841.db2.gz AYTHYABSPIZFLN-OWCLPIDISA-N 1 3 310.507 3.536 20 0 DHADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000337340903 521905145 /nfs/dbraw/zinc/90/51/45/521905145.db2.gz PUBGZRVOEBSRCO-TZIWHRDSSA-N 1 3 323.484 3.959 20 0 DHADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000337340900 521907212 /nfs/dbraw/zinc/90/72/12/521907212.db2.gz PUBGZRVOEBSRCO-CTNGQTDRSA-N 1 3 323.484 3.959 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)CN1CCCCC1 ZINC000337330098 524498425 /nfs/dbraw/zinc/49/84/25/524498425.db2.gz GEPWHLPBAKLLNU-QWFCFKBJSA-N 1 3 315.505 3.819 20 0 DHADHO Cc1cccc([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000162523729 524829182 /nfs/dbraw/zinc/82/91/82/524829182.db2.gz XDPVXSVLDMDGOL-QGZVFWFLSA-N 1 3 312.457 3.786 20 0 DHADHO C[C@@H](F)CCN1CCCC2(CCC[N@H+](CC[C@@H](C)F)C2)C1 ZINC000368240405 524972695 /nfs/dbraw/zinc/97/26/95/524972695.db2.gz JCVPCXXZFDMNCT-YNPPLXCJSA-N 1 3 302.453 3.661 20 0 DHADHO C[C@@H](F)CCN1CCCC2(CCC[N@@H+](CC[C@@H](C)F)C2)C1 ZINC000368240405 524972705 /nfs/dbraw/zinc/97/27/05/524972705.db2.gz JCVPCXXZFDMNCT-YNPPLXCJSA-N 1 3 302.453 3.661 20 0 DHADHO C[C@@H]1C[C@H](N[C@@H]2CCc3cc(Br)ccc32)CC[N@@H+]1C ZINC000156156355 525448603 /nfs/dbraw/zinc/44/86/03/525448603.db2.gz UBGDZCJEMMWINT-DJSGYFEHSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H]1C[C@H](N[C@@H]2CCc3cc(Br)ccc32)CC[N@H+]1C ZINC000156156355 525448608 /nfs/dbraw/zinc/44/86/08/525448608.db2.gz UBGDZCJEMMWINT-DJSGYFEHSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000188775338 525684450 /nfs/dbraw/zinc/68/44/50/525684450.db2.gz OQTDNWOAXFMVIV-JMSVASOKSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000188775338 525684457 /nfs/dbraw/zinc/68/44/57/525684457.db2.gz OQTDNWOAXFMVIV-JMSVASOKSA-N 1 3 300.368 3.839 20 0 DHADHO Cc1ccsc1[C@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000162506529 525886596 /nfs/dbraw/zinc/88/65/96/525886596.db2.gz JVHDMPMZKHPFCQ-HNNXBMFYSA-N 1 3 318.486 3.848 20 0 DHADHO Cn1ccc(CNCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000124600158 527359009 /nfs/dbraw/zinc/35/90/09/527359009.db2.gz LFSYFZKNUPPZRX-UHFFFAOYSA-N 1 3 311.473 3.691 20 0 DHADHO Cn1ccc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000124561788 527359185 /nfs/dbraw/zinc/35/91/85/527359185.db2.gz KPLXJKOZDNZHCU-UHFFFAOYSA-N 1 3 311.473 3.691 20 0 DHADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN(CC(C)C)CC1 ZINC000289237472 537021158 /nfs/dbraw/zinc/02/11/58/537021158.db2.gz MNISTHVLUODNBU-KRWDZBQOSA-N 1 3 320.452 3.532 20 0 DHADHO C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OC1CCCCCC1 ZINC000441392418 1013106505 /nfs/dbraw/zinc/10/65/05/1013106505.db2.gz IUDCRSIRYGLXJC-PXNSSMCTSA-N 1 3 320.521 3.675 20 0 DHADHO C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)OC1CCCCCC1 ZINC000441392418 1013106509 /nfs/dbraw/zinc/10/65/09/1013106509.db2.gz IUDCRSIRYGLXJC-PXNSSMCTSA-N 1 3 320.521 3.675 20 0 DHADHO Fc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(F)c1 ZINC001167970801 1013386641 /nfs/dbraw/zinc/38/66/41/1013386641.db2.gz NIYZSUFEFFJWLJ-AYHJJNSGSA-N 1 3 320.427 3.502 20 0 DHADHO Fc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(F)c1 ZINC001167970801 1013386651 /nfs/dbraw/zinc/38/66/51/1013386651.db2.gz NIYZSUFEFFJWLJ-AYHJJNSGSA-N 1 3 320.427 3.502 20 0 DHADHO CC1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)Cc2ccccc2C1 ZINC001167972855 1013405102 /nfs/dbraw/zinc/40/51/02/1013405102.db2.gz CXVFPSPKNXSHSQ-IHWFROFDSA-N 1 3 310.485 3.539 20 0 DHADHO CC(C)CC1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCOCC1 ZINC001167975080 1013422449 /nfs/dbraw/zinc/42/24/49/1013422449.db2.gz GQWLISJYRTXFKV-YQQQUEKLSA-N 1 3 320.521 3.577 20 0 DHADHO Cc1ccc(-c2ncc(C[NH2+][C@@H](C)CCN(C)C)s2)cc1C ZINC000655720672 1013664698 /nfs/dbraw/zinc/66/46/98/1013664698.db2.gz CNOZMXDZJGNACU-HNNXBMFYSA-N 1 3 317.502 3.857 20 0 DHADHO CCC(C)(C)C1CCC([NH2+]CCN2CCN(C)C(C)(C)C2)CC1 ZINC000441366880 1013725867 /nfs/dbraw/zinc/72/58/67/1013725867.db2.gz OQCGEEATNXVUPH-UHFFFAOYSA-N 1 3 323.569 3.597 20 0 DHADHO C[C@H](Cc1ccccn1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000655837815 1013762195 /nfs/dbraw/zinc/76/21/95/1013762195.db2.gz WRLQSXUXOJWWSI-MBOZVWFJSA-N 1 3 315.505 3.645 20 0 DHADHO C[C@@H](c1ccc(Br)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000070169708 1013883555 /nfs/dbraw/zinc/88/35/55/1013883555.db2.gz UHAKKOHMKDIYPM-QWHCGFSZSA-N 1 3 311.267 3.571 20 0 DHADHO C[C@H](c1ccc(Br)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000070169709 1013884240 /nfs/dbraw/zinc/88/42/40/1013884240.db2.gz UHAKKOHMKDIYPM-CHWSQXEVSA-N 1 3 311.267 3.571 20 0 DHADHO F[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000340525583 1013916686 /nfs/dbraw/zinc/91/66/86/1013916686.db2.gz WRZVNFWMQGANOV-BMSWRWNDSA-N 1 3 302.437 3.662 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000656200618 1014105633 /nfs/dbraw/zinc/10/56/33/1014105633.db2.gz BGXAAWZWVCIGRP-VXGBXAGGSA-N 1 3 311.420 3.713 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(F)cc1 ZINC000398043748 1014116784 /nfs/dbraw/zinc/11/67/84/1014116784.db2.gz QNVGXPISMYGWGF-OXQOHEQNSA-N 1 3 312.432 3.826 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(F)cc1 ZINC000398043748 1014116785 /nfs/dbraw/zinc/11/67/85/1014116785.db2.gz QNVGXPISMYGWGF-OXQOHEQNSA-N 1 3 312.432 3.826 20 0 DHADHO Cc1cncc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000189926029 1014225539 /nfs/dbraw/zinc/22/55/39/1014225539.db2.gz CNLCOKZQAVAGIG-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1cncc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000189926029 1014225547 /nfs/dbraw/zinc/22/55/47/1014225547.db2.gz CNLCOKZQAVAGIG-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO C[C@@H]1CC([NH2+]Cc2cccn2C)C[C@@H](C)N1Cc1ccccc1 ZINC001168004858 1014377485 /nfs/dbraw/zinc/37/74/85/1014377485.db2.gz ASVIFKYLESCNSZ-IAGOWNOFSA-N 1 3 311.473 3.556 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-c2cccs2)cc1 ZINC000665237616 1014509040 /nfs/dbraw/zinc/50/90/40/1014509040.db2.gz FPJMGVJKKUPXDU-PBHICJAKSA-N 1 3 300.471 3.893 20 0 DHADHO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000427690478 1014516560 /nfs/dbraw/zinc/51/65/60/1014516560.db2.gz OMDLCMKSUOLSHX-PMACEKPBSA-N 1 3 302.506 3.964 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1(N)CCCC1 ZINC000665249523 1014553789 /nfs/dbraw/zinc/55/37/89/1014553789.db2.gz RXQMVMWOZVLWSI-OLZOCXBDSA-N 1 3 303.475 3.649 20 0 DHADHO c1ccc2c(c1)CC[C@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665261453 1014596773 /nfs/dbraw/zinc/59/67/73/1014596773.db2.gz CSHLVFXQBCSDFQ-SFHLNBCPSA-N 1 3 320.436 3.519 20 0 DHADHO Clc1cccc([C@H]2CCC[C@@H]([NH2+]CC34CC(C3)CN4)C2)c1 ZINC000665279423 1014664599 /nfs/dbraw/zinc/66/45/99/1014664599.db2.gz BYGXLUNXLRBNJA-ONWXTNQRSA-N 1 3 304.865 3.708 20 0 DHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665280748 1014670521 /nfs/dbraw/zinc/67/05/21/1014670521.db2.gz KBOYJZGNVCVCCM-SWLSCSKDSA-N 1 3 318.490 3.538 20 0 DHADHO Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000665282923 1014678880 /nfs/dbraw/zinc/67/88/80/1014678880.db2.gz DXKPBTPRKSMAMP-YWZLYKJASA-N 1 3 309.457 3.885 20 0 DHADHO Cc1cccc2c1CCC[C@@H]2[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000665282922 1014679227 /nfs/dbraw/zinc/67/92/27/1014679227.db2.gz DXKPBTPRKSMAMP-QRWLVFNGSA-N 1 3 309.457 3.885 20 0 DHADHO CC(C)[N@H+](C)C[C@@H](O)CN(CC1CCC1)[C@@H](C)c1ccccc1 ZINC001167454419 1014703996 /nfs/dbraw/zinc/70/39/96/1014703996.db2.gz WABPZEZMJWQVOO-FXAWDEMLSA-N 1 3 318.505 3.551 20 0 DHADHO CC(C)[N@@H+](C)C[C@@H](O)CN(CC1CCC1)[C@@H](C)c1ccccc1 ZINC001167454419 1014704006 /nfs/dbraw/zinc/70/40/06/1014704006.db2.gz WABPZEZMJWQVOO-FXAWDEMLSA-N 1 3 318.505 3.551 20 0 DHADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(F)c2cccnc12 ZINC000349388312 1014736290 /nfs/dbraw/zinc/73/62/90/1014736290.db2.gz YLDRWEJVYVFEKK-UHFFFAOYSA-N 1 3 315.436 3.682 20 0 DHADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(F)c2cccnc12 ZINC000349388312 1014736296 /nfs/dbraw/zinc/73/62/96/1014736296.db2.gz YLDRWEJVYVFEKK-UHFFFAOYSA-N 1 3 315.436 3.682 20 0 DHADHO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)CCC2 ZINC000521609741 1014747367 /nfs/dbraw/zinc/74/73/67/1014747367.db2.gz KUXOIQXDZHQSCZ-YWZLYKJASA-N 1 3 309.457 3.885 20 0 DHADHO CCCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000442880301 1014759954 /nfs/dbraw/zinc/75/99/54/1014759954.db2.gz YESXMOTVNDULOT-IBGZPJMESA-N 1 3 317.521 3.534 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000665301128 1014777417 /nfs/dbraw/zinc/77/74/17/1014777417.db2.gz OYPUBOXNQSFLCK-BTYIYWSLSA-N 1 3 323.484 3.867 20 0 DHADHO C[C@H](N)c1ccn(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168023881 1015055800 /nfs/dbraw/zinc/05/58/00/1015055800.db2.gz YSAUFCJPJTZUCI-JYJNAYRXSA-N 1 3 312.461 3.517 20 0 DHADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000114478281 1015192647 /nfs/dbraw/zinc/19/26/47/1015192647.db2.gz DDVHRSJTDKODQM-CHWSQXEVSA-N 1 3 300.368 3.650 20 0 DHADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](CN(C)C)C1 ZINC000114478281 1015192654 /nfs/dbraw/zinc/19/26/54/1015192654.db2.gz DDVHRSJTDKODQM-CHWSQXEVSA-N 1 3 300.368 3.650 20 0 DHADHO CC1(N2CCC2)CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000895672343 1015254975 /nfs/dbraw/zinc/25/49/75/1015254975.db2.gz WWNBLQGUMWMKSD-UHFFFAOYSA-N 1 3 321.468 3.809 20 0 DHADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCN(C)C(C)C)cc1OC ZINC000474463717 1015379721 /nfs/dbraw/zinc/37/97/21/1015379721.db2.gz FZNAKTPYZKQONN-HOTGVXAUSA-N 1 3 322.493 3.516 20 0 DHADHO CCOC[C@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000474818119 1015618656 /nfs/dbraw/zinc/61/86/56/1015618656.db2.gz PZBPPNVKHHYUQU-VQIMIIECSA-N 1 3 308.510 3.578 20 0 DHADHO CCSC[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001173294642 1033652721 /nfs/dbraw/zinc/65/27/21/1033652721.db2.gz GTSCBWUATYZDTN-OAHLLOKOSA-N 1 3 324.509 3.769 20 0 DHADHO CCCCc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000151357266 1016036433 /nfs/dbraw/zinc/03/64/33/1016036433.db2.gz AROZYHMQWQSEBV-QGZVFWFLSA-N 1 3 318.505 3.527 20 0 DHADHO CC(C)CCC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccccc1 ZINC000361891486 1032144995 /nfs/dbraw/zinc/14/49/95/1032144995.db2.gz XNLDTKCXKJKYRP-LJQANCHMSA-N 1 3 318.505 3.600 20 0 DHADHO CCSCC[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000336711902 1016702999 /nfs/dbraw/zinc/70/29/99/1016702999.db2.gz LOLPLOIYWACIQE-GOSISDBHSA-N 1 3 306.519 3.631 20 0 DHADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cc(-c3ccccc3)cs2)C1 ZINC000347056558 1016709039 /nfs/dbraw/zinc/70/90/39/1016709039.db2.gz VLKVOCDNYOFWDF-ZBFHGGJFSA-N 1 3 300.471 3.974 20 0 DHADHO CN1CCC2(CCC[N@@H+]2Cc2cc3ccccc3s2)CC1 ZINC000475127159 1016987373 /nfs/dbraw/zinc/98/73/73/1016987373.db2.gz HWGGUWJHZHHHOJ-UHFFFAOYSA-N 1 3 300.471 3.962 20 0 DHADHO CN1CCC2(CCC[N@H+]2Cc2cc3ccccc3s2)CC1 ZINC000475127159 1016987385 /nfs/dbraw/zinc/98/73/85/1016987385.db2.gz HWGGUWJHZHHHOJ-UHFFFAOYSA-N 1 3 300.471 3.962 20 0 DHADHO CCCOCc1ccccc1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623362376 1016989414 /nfs/dbraw/zinc/98/94/14/1016989414.db2.gz QMZXLGRPCNUWDV-GOSISDBHSA-N 1 3 304.478 3.576 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(Cl)c1 ZINC000623432409 1017044583 /nfs/dbraw/zinc/04/45/83/1017044583.db2.gz QNCOXXVVCFCIFF-UKRRQHHQSA-N 1 3 310.869 3.570 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Oc1cccc(Cl)c1 ZINC000623432409 1017044595 /nfs/dbraw/zinc/04/45/95/1017044595.db2.gz QNCOXXVVCFCIFF-UKRRQHHQSA-N 1 3 310.869 3.570 20 0 DHADHO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)CCC2 ZINC000361965501 1032176141 /nfs/dbraw/zinc/17/61/41/1032176141.db2.gz DHSFJFBZMPAIRM-TXPKVOOTSA-N 1 3 302.462 3.535 20 0 DHADHO CC(C)COc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000121212751 1032429608 /nfs/dbraw/zinc/42/96/08/1032429608.db2.gz GTILOLXTCHHOQS-IAGOWNOFSA-N 1 3 304.478 3.714 20 0 DHADHO CC(C)COc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000121212751 1032429616 /nfs/dbraw/zinc/42/96/16/1032429616.db2.gz GTILOLXTCHHOQS-IAGOWNOFSA-N 1 3 304.478 3.714 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000121229181 1032429885 /nfs/dbraw/zinc/42/98/85/1032429885.db2.gz RQDBJKJVNZVEEH-CHWSQXEVSA-N 1 3 316.367 3.578 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000121229181 1032429905 /nfs/dbraw/zinc/42/99/05/1032429905.db2.gz RQDBJKJVNZVEEH-CHWSQXEVSA-N 1 3 316.367 3.578 20 0 DHADHO c1oc2ccccc2c1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066343 1032471736 /nfs/dbraw/zinc/47/17/36/1032471736.db2.gz JNFLFHYSTDLSGK-BEFAXECRSA-N 1 3 310.441 3.882 20 0 DHADHO c1oc2ccccc2c1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066343 1032471753 /nfs/dbraw/zinc/47/17/53/1032471753.db2.gz JNFLFHYSTDLSGK-BEFAXECRSA-N 1 3 310.441 3.882 20 0 DHADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(OC(F)F)cc1 ZINC000579712822 1011957809 /nfs/dbraw/zinc/95/78/09/1011957809.db2.gz CUZYNWVWJBOODO-GFCCVEGCSA-N 1 3 306.356 3.598 20 0 DHADHO CCOc1c(Cl)cccc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424381586 1012018775 /nfs/dbraw/zinc/01/87/75/1012018775.db2.gz RCPROUIIFSRLAC-AWEZNQCLSA-N 1 3 322.880 3.703 20 0 DHADHO CC(C)CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000322948175 1012328991 /nfs/dbraw/zinc/32/89/91/1012328991.db2.gz SCCPBGPSEMXGAH-YQQQUEKLSA-N 1 3 316.489 3.826 20 0 DHADHO COCCC1(C[NH2+]C[C@H](C)CN2CCCCC2)CCCCC1 ZINC000436286423 1012707580 /nfs/dbraw/zinc/70/75/80/1012707580.db2.gz HIWQTRUNNWXPRQ-SFHVURJKSA-N 1 3 310.526 3.685 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000517228200 1012935735 /nfs/dbraw/zinc/93/57/35/1012935735.db2.gz KCZVGMFXJUVXSP-HUUCEWRRSA-N 1 3 310.432 3.606 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000517228199 1012936630 /nfs/dbraw/zinc/93/66/30/1012936630.db2.gz KCZVGMFXJUVXSP-GJZGRUSLSA-N 1 3 310.432 3.606 20 0 DHADHO COc1ccc(C2CCC([NH2+]C[C@@H](C)CN(C)C)CC2)cc1 ZINC000425942869 1012988959 /nfs/dbraw/zinc/98/89/59/1012988959.db2.gz GZBVYMDELXYBEZ-KLHKWILBSA-N 1 3 304.478 3.509 20 0 DHADHO COCc1ccccc1/C=C(\C)CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000623656749 1017155928 /nfs/dbraw/zinc/15/59/28/1017155928.db2.gz AWGTVCXBAVMMEF-WQJNHMDYSA-N 1 3 316.489 3.558 20 0 DHADHO COCc1ccccc1/C=C(\C)CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656749 1017155934 /nfs/dbraw/zinc/15/59/34/1017155934.db2.gz AWGTVCXBAVMMEF-WQJNHMDYSA-N 1 3 316.489 3.558 20 0 DHADHO Clc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000716335667 1032696010 /nfs/dbraw/zinc/69/60/10/1032696010.db2.gz RIIBJJWPZUGMHM-KBPBESRZSA-N 1 3 313.272 3.752 20 0 DHADHO Clc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000716335667 1032696015 /nfs/dbraw/zinc/69/60/15/1032696015.db2.gz RIIBJJWPZUGMHM-KBPBESRZSA-N 1 3 313.272 3.752 20 0 DHADHO CC[C@@H](COCC1CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000657560678 1017386068 /nfs/dbraw/zinc/38/60/68/1017386068.db2.gz CACWHYILHUAGFM-KRWDZBQOSA-N 1 3 308.510 3.578 20 0 DHADHO CC[C@@H](COCC1CC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000657560678 1017386078 /nfs/dbraw/zinc/38/60/78/1017386078.db2.gz CACWHYILHUAGFM-KRWDZBQOSA-N 1 3 308.510 3.578 20 0 DHADHO CSCC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716685105 1032702649 /nfs/dbraw/zinc/70/26/49/1032702649.db2.gz WZLNOWKQKAQGSP-LULLPPNCSA-N 1 3 318.530 3.771 20 0 DHADHO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1cccc(Cl)c1 ZINC000173374993 1032703617 /nfs/dbraw/zinc/70/36/17/1032703617.db2.gz LYUFTZWFSOMURS-GOSISDBHSA-N 1 3 324.896 3.882 20 0 DHADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000020566098 1032707602 /nfs/dbraw/zinc/70/76/02/1032707602.db2.gz JZZSVSOGHQAYMI-UHFFFAOYSA-N 1 3 320.424 3.976 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc2ncsc2c1 ZINC000444641871 1017612607 /nfs/dbraw/zinc/61/26/07/1017612607.db2.gz SFHUGWAAHUYKKW-CQSZACIVSA-N 1 3 303.475 3.823 20 0 DHADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCN(C)C1)CCCO2 ZINC000624120844 1017692200 /nfs/dbraw/zinc/69/22/00/1017692200.db2.gz ICZFTIWCZRCRHN-SJLPKXTDSA-N 1 3 302.462 3.530 20 0 DHADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000624122673 1017694489 /nfs/dbraw/zinc/69/44/89/1017694489.db2.gz YGBROSRVOLXFMR-MNEFBYGVSA-N 1 3 304.453 3.783 20 0 DHADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C12CCC2 ZINC000181626527 1017777773 /nfs/dbraw/zinc/77/77/73/1017777773.db2.gz XRUYRWJBPGIVPL-MOPGFXCFSA-N 1 3 320.521 3.578 20 0 DHADHO CCO[C@H]1C[C@@H](NC2CC[NH+](CC3CCCC3)CC2)C12CCC2 ZINC000181626527 1017777792 /nfs/dbraw/zinc/77/77/92/1017777792.db2.gz XRUYRWJBPGIVPL-MOPGFXCFSA-N 1 3 320.521 3.578 20 0 DHADHO CC(C)Oc1cccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000523863064 1017811825 /nfs/dbraw/zinc/81/18/25/1017811825.db2.gz IGCVXYCKORATGB-GOSISDBHSA-N 1 3 306.494 3.930 20 0 DHADHO CC(C)Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC001167646998 1017940821 /nfs/dbraw/zinc/94/08/21/1017940821.db2.gz JLBSEVNVAKHHTP-UXHICEINSA-N 1 3 300.490 3.801 20 0 DHADHO CC(C)Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC001167646998 1017940833 /nfs/dbraw/zinc/94/08/33/1017940833.db2.gz JLBSEVNVAKHHTP-UXHICEINSA-N 1 3 300.490 3.801 20 0 DHADHO C[C@H]([NH2+]CCc1ccc(F)c(F)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185669183 1018123701 /nfs/dbraw/zinc/12/37/01/1018123701.db2.gz JTRPHFOEOQIZKH-GOEBONIOSA-N 1 3 322.443 3.750 20 0 DHADHO C[C@@H]([NH2+]CCCc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185747616 1018129000 /nfs/dbraw/zinc/12/90/00/1018129000.db2.gz ZFAZSRXZKBXQLT-MJGOQNOKSA-N 1 3 300.490 3.862 20 0 DHADHO CC[C@]1(C)CCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658162445 1018184792 /nfs/dbraw/zinc/18/47/92/1018184792.db2.gz DFFSLCVVCJFILW-WOJBJXKFSA-N 1 3 315.505 3.852 20 0 DHADHO CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000446759530 1018246557 /nfs/dbraw/zinc/24/65/57/1018246557.db2.gz GKEXWDOCBKEWHR-UYAOXDASSA-N 1 3 318.505 3.549 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCCc3ccco3)CC2)C1 ZINC000658327010 1018477859 /nfs/dbraw/zinc/47/78/59/1018477859.db2.gz MEWMORXUUNEBOK-SJLPKXTDSA-N 1 3 304.478 3.845 20 0 DHADHO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000583564433 1018562824 /nfs/dbraw/zinc/56/28/24/1018562824.db2.gz QDBDMGWFIGIGMN-PXTPFGJHSA-N 1 3 316.464 3.767 20 0 DHADHO Cc1cccc2c1CC[C@H]([NH+]1C(C)(C)CC(N)CC1(C)C)C2 ZINC001171553685 1032773807 /nfs/dbraw/zinc/77/38/07/1032773807.db2.gz UPAXWOZOWYXHET-KRWDZBQOSA-N 1 3 300.490 3.833 20 0 DHADHO Cc1cccc2c1CC[C@@H]([NH+]1C(C)(C)CC(N)CC1(C)C)C2 ZINC001171553686 1032774663 /nfs/dbraw/zinc/77/46/63/1032774663.db2.gz UPAXWOZOWYXHET-QGZVFWFLSA-N 1 3 300.490 3.833 20 0 DHADHO COc1ccc2cc([C@H](C)N[C@@H](C)CC[NH+](C)C)ccc2c1 ZINC000315399598 1032776788 /nfs/dbraw/zinc/77/67/88/1032776788.db2.gz UYBFYPLACAZCFI-GJZGRUSLSA-N 1 3 300.446 3.839 20 0 DHADHO C[C@@H](NCCC1(C[NH3+])CC1)c1csc(-c2ccccc2F)n1 ZINC000650748261 1018653280 /nfs/dbraw/zinc/65/32/80/1018653280.db2.gz QSRNUJJZCGOVSG-GFCCVEGCSA-N 1 3 319.449 3.729 20 0 DHADHO [NH3+]CC1([C@H]2CCCCN2CC[C@H]2CC2(Cl)Cl)CCC1 ZINC000903811193 1018762411 /nfs/dbraw/zinc/76/24/11/1018762411.db2.gz JNQIKUZVRYQACW-QWHCGFSZSA-N 1 3 305.293 3.554 20 0 DHADHO C[NH+](C)CC1CCN(Cc2cc(Cl)nc3ccccc23)CC1 ZINC000782478598 1018982413 /nfs/dbraw/zinc/98/24/13/1018982413.db2.gz QHKPEVKXGOEFAF-UHFFFAOYSA-N 1 3 317.864 3.662 20 0 DHADHO Cc1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc(C)c1O ZINC000263876804 1032802849 /nfs/dbraw/zinc/80/28/49/1032802849.db2.gz ZIVDMFMWNDFIBB-UHFFFAOYSA-N 1 3 324.468 3.895 20 0 DHADHO Cc1ccc(N2C[C@H](CC[NH3+])c3ccccc32)c(CN(C)C)c1 ZINC001168550319 1019035616 /nfs/dbraw/zinc/03/56/16/1019035616.db2.gz YTHGLDZROOKWGA-INIZCTEOSA-N 1 3 309.457 3.641 20 0 DHADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171619368 1032804459 /nfs/dbraw/zinc/80/44/59/1032804459.db2.gz LQYOQBRFBXTNHI-AWEZNQCLSA-N 1 3 306.469 3.998 20 0 DHADHO C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171625084 1032805183 /nfs/dbraw/zinc/80/51/83/1032805183.db2.gz BDZFUDDVNVARRD-CQSZACIVSA-N 1 3 304.478 3.564 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995072 1032807206 /nfs/dbraw/zinc/80/72/06/1032807206.db2.gz CCNWDAGINOBPSU-OLZOCXBDSA-N 1 3 312.910 3.987 20 0 DHADHO C[C@@H]1C(=O)CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)C12CCCC2 ZINC001171644908 1032809540 /nfs/dbraw/zinc/80/95/40/1032809540.db2.gz UGKYMSPUEJNCCH-OAHLLOKOSA-N 1 3 320.521 3.862 20 0 DHADHO CCc1ccc(-c2nc(CN3CC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000923483070 1019232724 /nfs/dbraw/zinc/23/27/24/1019232724.db2.gz WXIHDGZEIBANIY-OAHLLOKOSA-N 1 3 315.486 3.543 20 0 DHADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000166479038 1019367602 /nfs/dbraw/zinc/36/76/02/1019367602.db2.gz XCUKNJCAJVFLIH-HUUCEWRRSA-N 1 3 306.881 3.834 20 0 DHADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000166479038 1019367612 /nfs/dbraw/zinc/36/76/12/1019367612.db2.gz XCUKNJCAJVFLIH-HUUCEWRRSA-N 1 3 306.881 3.834 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(OCc2ccccc2)c1 ZINC000105480551 1019430973 /nfs/dbraw/zinc/43/09/73/1019430973.db2.gz GHHOXVVHBCHMQC-UTKZUKDTSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(OCc2ccccc2)c1 ZINC000105480551 1019430982 /nfs/dbraw/zinc/43/09/82/1019430982.db2.gz GHHOXVVHBCHMQC-UTKZUKDTSA-N 1 3 324.468 3.695 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC001171637913 1032834036 /nfs/dbraw/zinc/83/40/36/1032834036.db2.gz SIFMYIHVMDZOMV-LBPRGKRZSA-N 1 3 306.416 3.912 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC001171637913 1032834050 /nfs/dbraw/zinc/83/40/50/1032834050.db2.gz SIFMYIHVMDZOMV-LBPRGKRZSA-N 1 3 306.416 3.912 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](c3ccccn3)C2)CC1(C)C ZINC001171637847 1032835729 /nfs/dbraw/zinc/83/57/29/1032835729.db2.gz PXLVNGGDOOJJFJ-HNNXBMFYSA-N 1 3 301.478 3.522 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CC[C@H](c3ccccn3)C2)CC1(C)C ZINC001171637847 1032835741 /nfs/dbraw/zinc/83/57/41/1032835741.db2.gz PXLVNGGDOOJJFJ-HNNXBMFYSA-N 1 3 301.478 3.522 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C(C)(C)C(F)F ZINC000657868507 1019593919 /nfs/dbraw/zinc/59/39/19/1019593919.db2.gz UUSSWMXRDOHBLZ-NVXWUHKLSA-N 1 3 324.459 3.820 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000685455677 1019839912 /nfs/dbraw/zinc/83/99/12/1019839912.db2.gz IIXWFQBZERYUGR-MJJDPTRDSA-N 1 3 308.416 3.531 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2oc(C)nc2C)CC1 ZINC000685572287 1019958466 /nfs/dbraw/zinc/95/84/66/1019958466.db2.gz JYDSUGVLPSAWOJ-UHFFFAOYSA-N 1 3 307.482 3.625 20 0 DHADHO CCOC1CCC([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000657969679 1020046191 /nfs/dbraw/zinc/04/61/91/1020046191.db2.gz SZQWQIHZSOILDM-AAILRHKWSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccccn1 ZINC000658061819 1020111748 /nfs/dbraw/zinc/11/17/48/1020111748.db2.gz CUQPPQQYMLBQBP-ZIFCJYIRSA-N 1 3 315.505 3.818 20 0 DHADHO Cl/C=C\C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000903446616 1020439720 /nfs/dbraw/zinc/43/97/20/1020439720.db2.gz ZSGPTXMCDBTBPD-HJAIQDOCSA-N 1 3 304.865 3.914 20 0 DHADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000766045677 1020596336 /nfs/dbraw/zinc/59/63/36/1020596336.db2.gz TUVJEONBLBQSSA-RDTXWAMCSA-N 1 3 304.478 3.639 20 0 DHADHO CC[C@@H]1CN(C[C@H](C)c2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647497827 1020768092 /nfs/dbraw/zinc/76/80/92/1020768092.db2.gz WTWPNXWAYFSLEX-WOSRLPQWSA-N 1 3 314.395 3.868 20 0 DHADHO CC(C)[C@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCO1 ZINC000537936356 1032945745 /nfs/dbraw/zinc/94/57/45/1032945745.db2.gz OGZPBUQSZGJBLE-BTHPGYMESA-N 1 3 322.537 3.823 20 0 DHADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccncc1 ZINC000174076117 1020953812 /nfs/dbraw/zinc/95/38/12/1020953812.db2.gz AKWRFQIGZPVRGE-BRIRTLKKSA-N 1 3 321.468 3.928 20 0 DHADHO Cc1nc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)sc1C ZINC000892590853 1021051758 /nfs/dbraw/zinc/05/17/58/1021051758.db2.gz YCNYSFQIBYEYHK-OKILXGFUSA-N 1 3 309.523 3.608 20 0 DHADHO Cc1nc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)sc1C ZINC000892590853 1021051760 /nfs/dbraw/zinc/05/17/60/1021051760.db2.gz YCNYSFQIBYEYHK-OKILXGFUSA-N 1 3 309.523 3.608 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCC[C@H]1F ZINC000414297083 1021069779 /nfs/dbraw/zinc/06/97/79/1021069779.db2.gz YGGOBKRSIFKUKP-OQIJWPOYSA-N 1 3 304.453 3.767 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCC[C@H]1F ZINC000414297083 1021069786 /nfs/dbraw/zinc/06/97/86/1021069786.db2.gz YGGOBKRSIFKUKP-OQIJWPOYSA-N 1 3 304.453 3.767 20 0 DHADHO c1coc([C@@H]2C[C@H]2N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000414347872 1021117969 /nfs/dbraw/zinc/11/79/69/1021117969.db2.gz NWUPPKJAJYYVBO-OMQSBVIBSA-N 1 3 322.452 3.636 20 0 DHADHO c1coc([C@@H]2C[C@H]2N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000414347872 1021117972 /nfs/dbraw/zinc/11/79/72/1021117972.db2.gz NWUPPKJAJYYVBO-OMQSBVIBSA-N 1 3 322.452 3.636 20 0 DHADHO c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000414347872 1021117975 /nfs/dbraw/zinc/11/79/75/1021117975.db2.gz NWUPPKJAJYYVBO-OMQSBVIBSA-N 1 3 322.452 3.636 20 0 DHADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423481507 1021257915 /nfs/dbraw/zinc/25/79/15/1021257915.db2.gz WWMACEMYNQCDEP-KANFNMMFSA-N 1 3 304.453 3.543 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000252130555 1021275011 /nfs/dbraw/zinc/27/50/11/1021275011.db2.gz KSBIEBDGDHVBCN-KDOFPFPSSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000252130555 1021275013 /nfs/dbraw/zinc/27/50/13/1021275013.db2.gz KSBIEBDGDHVBCN-KDOFPFPSSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000252130555 1021275017 /nfs/dbraw/zinc/27/50/17/1021275017.db2.gz KSBIEBDGDHVBCN-KDOFPFPSSA-N 1 3 306.881 3.661 20 0 DHADHO COc1ccccc1[C@H](NC[C@@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000091335650 1021276574 /nfs/dbraw/zinc/27/65/74/1021276574.db2.gz LHBIDKORABKUGI-OXJNMPFZSA-N 1 3 316.489 3.858 20 0 DHADHO COc1ccccc1[C@H](NC[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000091335650 1021276581 /nfs/dbraw/zinc/27/65/81/1021276581.db2.gz LHBIDKORABKUGI-OXJNMPFZSA-N 1 3 316.489 3.858 20 0 DHADHO Cc1cccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000537971864 1032969296 /nfs/dbraw/zinc/96/92/96/1032969296.db2.gz KGRUCHWEDOFWMD-SCTDSRPQSA-N 1 3 318.505 3.843 20 0 DHADHO C[C@@H]1C[N@@H+]([C@H]2CCN(Cc3ccccc3)C(C)(C)C2)[C@@H](C)CO1 ZINC001171986195 1032971317 /nfs/dbraw/zinc/97/13/17/1032971317.db2.gz GJWRQOAZSGVJCP-SCTDSRPQSA-N 1 3 316.489 3.539 20 0 DHADHO C[C@@H]1C[N@H+]([C@H]2CCN(Cc3ccccc3)C(C)(C)C2)[C@@H](C)CO1 ZINC001171986195 1032971333 /nfs/dbraw/zinc/97/13/33/1032971333.db2.gz GJWRQOAZSGVJCP-SCTDSRPQSA-N 1 3 316.489 3.539 20 0 DHADHO Fc1cc(C[NH2+]C2CCN(C3CCC3)CC2)ccc1C(F)F ZINC000892678869 1021373475 /nfs/dbraw/zinc/37/34/75/1021373475.db2.gz IMADGGGVRRJWNQ-UHFFFAOYSA-N 1 3 312.379 3.870 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058515 1021506914 /nfs/dbraw/zinc/50/69/14/1021506914.db2.gz LCYIBQGVERYOFG-CABCVRRESA-N 1 3 300.421 3.971 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058515 1021506918 /nfs/dbraw/zinc/50/69/18/1021506918.db2.gz LCYIBQGVERYOFG-CABCVRRESA-N 1 3 300.421 3.971 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058515 1021506922 /nfs/dbraw/zinc/50/69/22/1021506922.db2.gz LCYIBQGVERYOFG-CABCVRRESA-N 1 3 300.421 3.971 20 0 DHADHO C[NH+](C)CCCC1CCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000093688622 1021650496 /nfs/dbraw/zinc/65/04/96/1021650496.db2.gz SGWKDFSTRIILFA-UHFFFAOYSA-N 1 3 323.550 3.994 20 0 DHADHO C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000261916854 1021850692 /nfs/dbraw/zinc/85/06/92/1021850692.db2.gz HCYMMGBEWBSLMY-SGMGOOAPSA-N 1 3 316.367 3.705 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3cc(Cl)ccc31)C2 ZINC001172107394 1033012646 /nfs/dbraw/zinc/01/26/46/1033012646.db2.gz WRJDHBUCZMXUFA-KYHPRHEASA-N 1 3 304.865 3.932 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3cc(Cl)ccc31)C2 ZINC001172107394 1033012653 /nfs/dbraw/zinc/01/26/53/1033012653.db2.gz WRJDHBUCZMXUFA-KYHPRHEASA-N 1 3 304.865 3.932 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000556869359 1021910702 /nfs/dbraw/zinc/91/07/02/1021910702.db2.gz GXIIACHHAMNDJE-LSDHHAIUSA-N 1 3 310.432 3.607 20 0 DHADHO COc1cccc(C2(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCC2)c1 ZINC001172113607 1033020733 /nfs/dbraw/zinc/02/07/33/1033020733.db2.gz IAGPNGODDQGOHW-NNZMDNLPSA-N 1 3 314.473 3.679 20 0 DHADHO COc1cccc(C2(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001172113607 1033020742 /nfs/dbraw/zinc/02/07/42/1033020742.db2.gz IAGPNGODDQGOHW-NNZMDNLPSA-N 1 3 314.473 3.679 20 0 DHADHO c1ccc(CN2CCCC[C@@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000309887730 1022181634 /nfs/dbraw/zinc/18/16/34/1022181634.db2.gz ADFWSPNALPKXAP-PMACEKPBSA-N 1 3 314.473 3.571 20 0 DHADHO C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001205997037 1022224766 /nfs/dbraw/zinc/22/47/66/1022224766.db2.gz YWEROVLNZDKPFZ-WCQYABFASA-N 1 3 301.261 3.800 20 0 DHADHO CO[C@H](CN1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000659943327 1022229529 /nfs/dbraw/zinc/22/95/29/1022229529.db2.gz BGTMEDLTQUZITF-RBUKOAKNSA-N 1 3 308.510 3.532 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001169109597 1022268293 /nfs/dbraw/zinc/26/82/93/1022268293.db2.gz FQXNKXNPGKBPSR-AKHDSKFASA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001169109597 1022268303 /nfs/dbraw/zinc/26/83/03/1022268303.db2.gz FQXNKXNPGKBPSR-AKHDSKFASA-N 1 3 302.437 3.882 20 0 DHADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000659989619 1022305568 /nfs/dbraw/zinc/30/55/68/1022305568.db2.gz PUTVETVKHUDMMZ-QWFCFKBJSA-N 1 3 300.490 3.844 20 0 DHADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000659989619 1022305584 /nfs/dbraw/zinc/30/55/84/1022305584.db2.gz PUTVETVKHUDMMZ-QWFCFKBJSA-N 1 3 300.490 3.844 20 0 DHADHO CC[NH+]1CCC(n2c3ccccc3nc2[C@@H]2CCCCN2)CC1 ZINC001169263904 1022319989 /nfs/dbraw/zinc/31/99/89/1022319989.db2.gz COSJQZJXPHHZQU-KRWDZBQOSA-N 1 3 312.461 3.508 20 0 DHADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000368528414 1022336686 /nfs/dbraw/zinc/33/66/86/1022336686.db2.gz QEQDPQWKVPCQDM-LPHOPBHVSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H](CCc1ccco1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000157403282 1022546774 /nfs/dbraw/zinc/54/67/74/1022546774.db2.gz CQFLGFZPQYFPLC-INIZCTEOSA-N 1 3 304.478 3.987 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158613111 1022649072 /nfs/dbraw/zinc/64/90/72/1022649072.db2.gz PXICJSQTPRUXLI-WMZOPIPTSA-N 1 3 306.881 3.689 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158613111 1022649081 /nfs/dbraw/zinc/64/90/81/1022649081.db2.gz PXICJSQTPRUXLI-WMZOPIPTSA-N 1 3 306.881 3.689 20 0 DHADHO CCCCCOc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1OC ZINC000414929638 1022928230 /nfs/dbraw/zinc/92/82/30/1022928230.db2.gz RWARYYMXBKNETO-SJORKVTESA-N 1 3 320.477 3.624 20 0 DHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCC=CO1 ZINC000194037699 1023149601 /nfs/dbraw/zinc/14/96/01/1023149601.db2.gz QVNMPVGZFOTXNM-PMACEKPBSA-N 1 3 314.473 3.523 20 0 DHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCC=CO1 ZINC000194037699 1023149604 /nfs/dbraw/zinc/14/96/04/1023149604.db2.gz QVNMPVGZFOTXNM-PMACEKPBSA-N 1 3 314.473 3.523 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H]1CCC=CO1 ZINC000194212513 1023158872 /nfs/dbraw/zinc/15/88/72/1023158872.db2.gz JALNTIIZLCVCLH-XLIONFOSSA-N 1 3 314.473 3.843 20 0 DHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H]1CCC=CO1 ZINC000194212513 1023158875 /nfs/dbraw/zinc/15/88/75/1023158875.db2.gz JALNTIIZLCVCLH-XLIONFOSSA-N 1 3 314.473 3.843 20 0 DHADHO c1cc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)co1 ZINC000769538937 1023176025 /nfs/dbraw/zinc/17/60/25/1023176025.db2.gz ZDWHKXVBPSSFEN-UHFFFAOYSA-N 1 3 310.441 3.768 20 0 DHADHO c1cc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)co1 ZINC000769538937 1023176029 /nfs/dbraw/zinc/17/60/29/1023176029.db2.gz ZDWHKXVBPSSFEN-UHFFFAOYSA-N 1 3 310.441 3.768 20 0 DHADHO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001172340434 1033123218 /nfs/dbraw/zinc/12/32/18/1033123218.db2.gz KAQPQBLGBMMVSO-CEXWTWQISA-N 1 3 310.526 3.921 20 0 DHADHO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001172340434 1033123225 /nfs/dbraw/zinc/12/32/25/1033123225.db2.gz KAQPQBLGBMMVSO-CEXWTWQISA-N 1 3 310.526 3.921 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cccc3c2OC(C)(C)C3)[C@H](C)C1 ZINC000538717381 1033142871 /nfs/dbraw/zinc/14/28/71/1033142871.db2.gz XNCSCBROGDHXDS-CRAIPNDOSA-N 1 3 316.489 3.562 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)[C@H](C)C1 ZINC000538717381 1033142873 /nfs/dbraw/zinc/14/28/73/1033142873.db2.gz XNCSCBROGDHXDS-CRAIPNDOSA-N 1 3 316.489 3.562 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccc(O)c2)CC1 ZINC000538721637 1033147588 /nfs/dbraw/zinc/14/75/88/1033147588.db2.gz WGWXEYVKAINITN-KRWDZBQOSA-N 1 3 316.489 3.869 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cccc(O)c2)CC1 ZINC000538721637 1033147593 /nfs/dbraw/zinc/14/75/93/1033147593.db2.gz WGWXEYVKAINITN-KRWDZBQOSA-N 1 3 316.489 3.869 20 0 DHADHO C1CC1[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000651928395 1023649844 /nfs/dbraw/zinc/64/98/44/1023649844.db2.gz FZRKRVMMELUOLR-HXUWFJFHSA-N 1 3 320.521 3.578 20 0 DHADHO CC(C)CCC[C@H](C)N1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001170070317 1023764919 /nfs/dbraw/zinc/76/49/19/1023764919.db2.gz CWQCKYQONJCBDN-KRWDZBQOSA-N 1 3 303.494 3.632 20 0 DHADHO CC1CC[NH+](CCCCN[C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788525460 1023905179 /nfs/dbraw/zinc/90/51/79/1023905179.db2.gz DOCMKEAEXSBNFE-INIZCTEOSA-N 1 3 321.896 3.824 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2ccccc2C)C[C@H]1C ZINC000531141207 1024033268 /nfs/dbraw/zinc/03/32/68/1024033268.db2.gz RVHLHZIASLSZEP-QZTJIDSGSA-N 1 3 304.478 3.569 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCCOc2ccccc2C)C[C@H]1C ZINC000531141207 1024033283 /nfs/dbraw/zinc/03/32/83/1024033283.db2.gz RVHLHZIASLSZEP-QZTJIDSGSA-N 1 3 304.478 3.569 20 0 DHADHO CC[C@H](CC(C)C)[NH+]1CCC(N)(Cc2ccc(F)cc2)CC1 ZINC001172401953 1033186077 /nfs/dbraw/zinc/18/60/77/1033186077.db2.gz RGNHXLXREOXPSC-GOSISDBHSA-N 1 3 306.469 3.986 20 0 DHADHO C[C@H](c1ccc(F)c(F)c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291130 1024070793 /nfs/dbraw/zinc/07/07/93/1024070793.db2.gz BKOWUSNGAOPVGE-CJNGLKHVSA-N 1 3 308.416 3.737 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2NC1CC[NH+](C2CCC2)CC1 ZINC000269048668 1024230513 /nfs/dbraw/zinc/23/05/13/1024230513.db2.gz VHDUNRVZQDCFSQ-FQEVSTJZSA-N 1 3 314.473 3.679 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000643456648 1024242957 /nfs/dbraw/zinc/24/29/57/1024242957.db2.gz RCQPUWGZFZQJTD-SJORKVTESA-N 1 3 320.358 3.982 20 0 DHADHO Cc1ccncc1CCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000278871200 1024252296 /nfs/dbraw/zinc/25/22/96/1024252296.db2.gz GEWOTLPMEFFXOV-HKUYNNGSSA-N 1 3 315.505 3.565 20 0 DHADHO CC[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000453060182 1024309044 /nfs/dbraw/zinc/30/90/44/1024309044.db2.gz JMGJBZHGMYBMOE-GOSISDBHSA-N 1 3 318.486 3.929 20 0 DHADHO c1ccc(CN2CC[C@H]([NH2+]Cc3cccnc3)[C@H]3CCC[C@@H]32)cc1 ZINC000453061276 1024309146 /nfs/dbraw/zinc/30/91/46/1024309146.db2.gz SNPKHEPVVWKMNX-HKBOAZHASA-N 1 3 321.468 3.614 20 0 DHADHO Cc1cc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000453082080 1024320216 /nfs/dbraw/zinc/32/02/16/1024320216.db2.gz MBFAJBGKUQLYBB-IJEWVQPXSA-N 1 3 310.507 3.597 20 0 DHADHO C[C@H](CCCc1cccnc1)[NH2+]CCCN1CCCC[C@H]1C ZINC000453090883 1024326044 /nfs/dbraw/zinc/32/60/44/1024326044.db2.gz POTBIJIPOQPBCH-QZTJIDSGSA-N 1 3 303.494 3.647 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453091900 1024326710 /nfs/dbraw/zinc/32/67/10/1024326710.db2.gz NDDYXFPNZBDXAR-WMLDXEAASA-N 1 3 322.518 3.777 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)[C@H]1CCCOC1 ZINC000883352216 1024396617 /nfs/dbraw/zinc/39/66/17/1024396617.db2.gz WZIXJWBHKXOFDC-BWPNAZKDSA-N 1 3 322.537 3.824 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)[C@@H]1CCCOC1 ZINC000883352217 1024397883 /nfs/dbraw/zinc/39/78/83/1024397883.db2.gz WZIXJWBHKXOFDC-CUDHKJQZSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663464189 1024398735 /nfs/dbraw/zinc/39/87/35/1024398735.db2.gz DHTBWYIJRVCVHT-DZGCQCFKSA-N 1 3 306.416 3.819 20 0 DHADHO C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466457 1024405314 /nfs/dbraw/zinc/40/53/14/1024405314.db2.gz TZAAELXVVNEVMR-PXNSSMCTSA-N 1 3 315.505 3.504 20 0 DHADHO COC1(C[NH2+]C2CCN(CC3CCCCC3)CC2)CCCC1 ZINC000790962478 1024406762 /nfs/dbraw/zinc/40/67/62/1024406762.db2.gz MJNMJSXOWLNIOI-UHFFFAOYSA-N 1 3 308.510 3.580 20 0 DHADHO COC1(CNC2CC[NH+](CC3CCCCC3)CC2)CCCC1 ZINC000790962478 1024406767 /nfs/dbraw/zinc/40/67/67/1024406767.db2.gz MJNMJSXOWLNIOI-UHFFFAOYSA-N 1 3 308.510 3.580 20 0 DHADHO C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466966 1024409630 /nfs/dbraw/zinc/40/96/30/1024409630.db2.gz CHAOYEQYYDXMFT-APWZRJJASA-N 1 3 318.480 3.858 20 0 DHADHO Cc1ccoc1C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000531864346 1024410330 /nfs/dbraw/zinc/41/03/30/1024410330.db2.gz XHHUKCOQIKUVRP-YRWFTTLQSA-N 1 3 312.457 3.834 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N3CCC[C@@]4(CCOC4)C3)CC2)C1 ZINC000453346494 1024474039 /nfs/dbraw/zinc/47/40/39/1024474039.db2.gz FLLXTBZOUBHOSR-MISYRCLQSA-N 1 3 320.521 3.532 20 0 DHADHO COc1ccccc1-c1ccc(CNCC[C@@H]([NH3+])C(C)C)cc1 ZINC000663499285 1024487477 /nfs/dbraw/zinc/48/74/77/1024487477.db2.gz IDGHWXRHFKKQFW-LJQANCHMSA-N 1 3 312.457 3.825 20 0 DHADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc2c(c1)COC2 ZINC000271479590 1024517729 /nfs/dbraw/zinc/51/77/29/1024517729.db2.gz NBLOJSCQFNZNOH-CQSZACIVSA-N 1 3 302.462 3.630 20 0 DHADHO Brc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000643522341 1024517965 /nfs/dbraw/zinc/51/79/65/1024517965.db2.gz LWUCEOUBXOGUHO-GDBMZVCRSA-N 1 3 323.278 3.558 20 0 DHADHO C[N@H+](CCCCNCc1ncc(-c2ccccc2)s1)C1CC1 ZINC000453597914 1024537685 /nfs/dbraw/zinc/53/76/85/1024537685.db2.gz ORKJHJQAMRKSDH-UHFFFAOYSA-N 1 3 315.486 3.774 20 0 DHADHO C[N@@H+](CCCCNCc1ncc(-c2ccccc2)s1)C1CC1 ZINC000453597914 1024537696 /nfs/dbraw/zinc/53/76/96/1024537696.db2.gz ORKJHJQAMRKSDH-UHFFFAOYSA-N 1 3 315.486 3.774 20 0 DHADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001168163622 1024733059 /nfs/dbraw/zinc/73/30/59/1024733059.db2.gz ARLXEZBXQJHEGO-CQSZACIVSA-N 1 3 306.881 3.864 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666239422 1024825225 /nfs/dbraw/zinc/82/52/25/1024825225.db2.gz JPUMKSUTWUQASM-HOCLYGCPSA-N 1 3 306.881 3.517 20 0 DHADHO C[N@H+](CCN)Cc1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC001204700077 1024856247 /nfs/dbraw/zinc/85/62/47/1024856247.db2.gz WTQDDPLWPOIYTR-UHFFFAOYSA-N 1 3 324.346 3.643 20 0 DHADHO C[N@@H+](CCN)Cc1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC001204700077 1024856269 /nfs/dbraw/zinc/85/62/69/1024856269.db2.gz WTQDDPLWPOIYTR-UHFFFAOYSA-N 1 3 324.346 3.643 20 0 DHADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172549980 1033243436 /nfs/dbraw/zinc/24/34/36/1033243436.db2.gz SAEYBMLNPYELHZ-CGXNFDGLSA-N 1 3 312.501 3.986 20 0 DHADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172549980 1033243449 /nfs/dbraw/zinc/24/34/49/1033243449.db2.gz SAEYBMLNPYELHZ-CGXNFDGLSA-N 1 3 312.501 3.986 20 0 DHADHO c1ccc2c(c1)CC[C@H](C[NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC000666341805 1024984626 /nfs/dbraw/zinc/98/46/26/1024984626.db2.gz QZJXEORIZBJUGT-KRWDZBQOSA-N 1 3 312.501 3.788 20 0 DHADHO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000353513078 1025101637 /nfs/dbraw/zinc/10/16/37/1025101637.db2.gz DXKNTNNDUFQQNF-IUODEOHRSA-N 1 3 318.383 3.966 20 0 DHADHO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000539071935 1033269408 /nfs/dbraw/zinc/26/94/08/1033269408.db2.gz FWPQEHHLDKFDHL-FCGDIQPGSA-N 1 3 310.526 3.680 20 0 DHADHO CC[NH+]1CCC(CNCc2c(Cl)cccc2Cl)CC1 ZINC000044517579 1025256119 /nfs/dbraw/zinc/25/61/19/1025256119.db2.gz XPDFIGCFAUVBDQ-UHFFFAOYSA-N 1 3 301.261 3.815 20 0 DHADHO CCC[NH+]1CCC(N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000236797053 1025322820 /nfs/dbraw/zinc/32/28/20/1025322820.db2.gz DHDMDANWBSCQEQ-LJQANCHMSA-N 1 3 302.462 3.610 20 0 DHADHO CCCC[C@H](CC)CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000438095982 1025370988 /nfs/dbraw/zinc/37/09/88/1025370988.db2.gz IHZQLCJDCNUQHB-VQTJNVASSA-N 1 3 323.569 3.695 20 0 DHADHO CCCC[C@H](CC)CCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000438095982 1025371002 /nfs/dbraw/zinc/37/10/02/1025371002.db2.gz IHZQLCJDCNUQHB-VQTJNVASSA-N 1 3 323.569 3.695 20 0 DHADHO CCc1oc2ccccc2c1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354178125 1025375733 /nfs/dbraw/zinc/37/57/33/1025375733.db2.gz UYPJQQDWKBZNJF-FQEVSTJZSA-N 1 3 312.457 3.913 20 0 DHADHO CCc1oc2ccccc2c1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354178125 1025375744 /nfs/dbraw/zinc/37/57/44/1025375744.db2.gz UYPJQQDWKBZNJF-FQEVSTJZSA-N 1 3 312.457 3.913 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(C(F)F)CC3)CC2)C1 ZINC000355173752 1025625621 /nfs/dbraw/zinc/62/56/21/1025625621.db2.gz YVSDCUCDTMRLOZ-UKRRQHHQSA-N 1 3 300.437 3.664 20 0 DHADHO CCc1noc(CC)c1CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC000886538225 1025688449 /nfs/dbraw/zinc/68/84/49/1025688449.db2.gz DIJGVRSCIHNBME-UHFFFAOYSA-N 1 3 319.493 3.686 20 0 DHADHO Cc1csc(C[C@H]2CCC[N@H+](CCCN3CCCCC3)C2)n1 ZINC000886691329 1025794725 /nfs/dbraw/zinc/79/47/25/1025794725.db2.gz BODXHLDEBNFQNN-QGZVFWFLSA-N 1 3 321.534 3.582 20 0 DHADHO Cc1csc(C[C@H]2CCC[N@@H+](CCCN3CCCCC3)C2)n1 ZINC000886691329 1025794740 /nfs/dbraw/zinc/79/47/40/1025794740.db2.gz BODXHLDEBNFQNN-QGZVFWFLSA-N 1 3 321.534 3.582 20 0 DHADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccnc1 ZINC000245659126 1026116050 /nfs/dbraw/zinc/11/60/50/1026116050.db2.gz FFKMSHBGOZOKCJ-LRGNLBRXSA-N 1 3 321.468 3.928 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(OCC3CC3)cc1)C2 ZINC000289731818 1026149266 /nfs/dbraw/zinc/14/92/66/1026149266.db2.gz PVBXQYAPFHQXAB-DFNIBXOVSA-N 1 3 314.473 3.532 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(OCC3CC3)cc1)C2 ZINC000289731818 1026149276 /nfs/dbraw/zinc/14/92/76/1026149276.db2.gz PVBXQYAPFHQXAB-DFNIBXOVSA-N 1 3 314.473 3.532 20 0 DHADHO CCCCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C(C)(C)C ZINC000808719012 1026367714 /nfs/dbraw/zinc/36/77/14/1026367714.db2.gz RZVWFOOKQWGBKQ-QGZVFWFLSA-N 1 3 311.558 3.597 20 0 DHADHO CCC(CC)(CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)OC ZINC000430143704 1026468469 /nfs/dbraw/zinc/46/84/69/1026468469.db2.gz XTVAMOXAYWGCDZ-SJLPKXTDSA-N 1 3 310.526 3.824 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)C1CCOCC1 ZINC000513335401 1026481391 /nfs/dbraw/zinc/48/13/91/1026481391.db2.gz OVNONIQQTPGVLJ-DBVUQKKJSA-N 1 3 322.537 3.824 20 0 DHADHO CN1CC[C@H]([NH2+]CCOc2ccc3ccccc3c2)[C@@H]2CCC[C@H]21 ZINC000513656536 1026551382 /nfs/dbraw/zinc/55/13/82/1026551382.db2.gz UVXAFUJZCYACAO-PCCBWWKXSA-N 1 3 324.468 3.681 20 0 DHADHO COc1cc(CN(C)Cc2ccc(C[NH+](C)C)cc2)ccc1C ZINC000809738608 1026609896 /nfs/dbraw/zinc/60/98/96/1026609896.db2.gz BKEBCBGNJWCQCD-UHFFFAOYSA-N 1 3 312.457 3.697 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000280758965 1026705007 /nfs/dbraw/zinc/70/50/07/1026705007.db2.gz FGWUBDXRVPXPIT-UONOGXRCSA-N 1 3 314.395 3.568 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000280758969 1026705964 /nfs/dbraw/zinc/70/59/64/1026705964.db2.gz FGWUBDXRVPXPIT-ZIAGYGMSSA-N 1 3 314.395 3.568 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)N(C)CC[C@H]1CCC[NH2+]C1 ZINC000420300341 1026800347 /nfs/dbraw/zinc/80/03/47/1026800347.db2.gz KCFGSQLTTHIOIK-UONOGXRCSA-N 1 3 303.475 3.679 20 0 DHADHO COc1ccc([C@H](C[NH3+])CN(C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000420321327 1026803744 /nfs/dbraw/zinc/80/37/44/1026803744.db2.gz RGUQWRBBGHGSJM-RHSMWYFYSA-N 1 3 316.420 3.570 20 0 DHADHO Cc1occc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000414452434 1026806378 /nfs/dbraw/zinc/80/63/78/1026806378.db2.gz LCXARALNBFQQIN-PMACEKPBSA-N 1 3 310.441 3.542 20 0 DHADHO Cc1occc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000414452434 1026806388 /nfs/dbraw/zinc/80/63/88/1026806388.db2.gz LCXARALNBFQQIN-PMACEKPBSA-N 1 3 310.441 3.542 20 0 DHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC000420326279 1026807114 /nfs/dbraw/zinc/80/71/14/1026807114.db2.gz XCBREOVPSHPQDZ-TZIWHRDSSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC000420326279 1026807120 /nfs/dbraw/zinc/80/71/20/1026807120.db2.gz XCBREOVPSHPQDZ-TZIWHRDSSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@@H](CN)C[NH2+][C@H](c2ccccc2)C(C)C)cc1 ZINC000420377522 1026808185 /nfs/dbraw/zinc/80/81/85/1026808185.db2.gz SFEXIMUWDCKUGR-ICSRJNTNSA-N 1 3 312.457 3.724 20 0 DHADHO C[NH+](C)CCOc1cccc(CNCc2cccc(C3CC3)c2)c1 ZINC000421337342 1026961165 /nfs/dbraw/zinc/96/11/65/1026961165.db2.gz YSHRUXFALZXBOE-UHFFFAOYSA-N 1 3 324.468 3.794 20 0 DHADHO CCC[NH+]1CCC(CNCc2ccnc(Cl)c2Cl)CC1 ZINC000811478487 1027016826 /nfs/dbraw/zinc/01/68/26/1027016826.db2.gz IYJWLEDKOFBDJK-UHFFFAOYSA-N 1 3 316.276 3.600 20 0 DHADHO FC(F)C1CC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000811518983 1027020419 /nfs/dbraw/zinc/02/04/19/1027020419.db2.gz UJFFMTUCHVCPGB-AOCRQIFASA-N 1 3 322.443 3.922 20 0 DHADHO CCSCCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000571288869 1027114718 /nfs/dbraw/zinc/11/47/18/1027114718.db2.gz JECHLAKJETZMIS-HNNXBMFYSA-N 1 3 312.548 3.563 20 0 DHADHO CCSCCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000571288869 1027114729 /nfs/dbraw/zinc/11/47/29/1027114729.db2.gz JECHLAKJETZMIS-HNNXBMFYSA-N 1 3 312.548 3.563 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc2ccccc2c1 ZINC000422702031 1027297352 /nfs/dbraw/zinc/29/73/52/1027297352.db2.gz JWHJHTXMIUOMSC-CQSZACIVSA-N 1 3 305.425 3.853 20 0 DHADHO Cc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422698266 1027297982 /nfs/dbraw/zinc/29/79/82/1027297982.db2.gz YKLVAMGDICPZLF-PZJWPPBQSA-N 1 3 322.452 3.649 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCCCCOCCc2ccccc2)c2ccccc21 ZINC000422724283 1027305319 /nfs/dbraw/zinc/30/53/19/1027305319.db2.gz VGDGYSXSDXVPPO-LEWJYISDSA-N 1 3 324.468 3.760 20 0 DHADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772411 1027314821 /nfs/dbraw/zinc/31/48/21/1027314821.db2.gz YHZCYICHDMIJSB-YEWWUXTCSA-N 1 3 314.454 3.655 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H]1NCCSCc1cccc2ccccc21 ZINC000422761592 1027324830 /nfs/dbraw/zinc/32/48/30/1027324830.db2.gz MZITZWXTCNCDOS-MSOLQXFVSA-N 1 3 300.471 3.542 20 0 DHADHO CC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422789500 1027329840 /nfs/dbraw/zinc/32/98/40/1027329840.db2.gz WXZUPYLHUTXEHU-ZJOUEHCJSA-N 1 3 322.452 3.983 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)[NH2+][C@H]3CCC[C@@H]3N)cc2)cs1 ZINC000422811172 1027330761 /nfs/dbraw/zinc/33/07/61/1027330761.db2.gz VLORMYNKKNYSCV-UVBJJODRSA-N 1 3 301.459 3.649 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000422833363 1027334662 /nfs/dbraw/zinc/33/46/62/1027334662.db2.gz GOIQYGOEJXCRDK-ACRUOGEOSA-N 1 3 308.469 3.730 20 0 DHADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccccc1COCc1ccccc1 ZINC000422867376 1027345438 /nfs/dbraw/zinc/34/54/38/1027345438.db2.gz SAVYANDYXKIRKQ-WIYYLYMNSA-N 1 3 324.468 3.620 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000422885217 1027351228 /nfs/dbraw/zinc/35/12/28/1027351228.db2.gz GKUKEVDDBKAQKB-UYAOXDASSA-N 1 3 305.425 3.835 20 0 DHADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000422870379 1027355314 /nfs/dbraw/zinc/35/53/14/1027355314.db2.gz YRCCWSWWFSNIQS-SFTDATJTSA-N 1 3 324.468 3.620 20 0 DHADHO CC(C)c1nc(CC[NH2+][C@H]2C[C@H](N)c3ccccc32)cs1 ZINC000422900691 1027355758 /nfs/dbraw/zinc/35/57/58/1027355758.db2.gz JWMRWGYTQQYAAH-HOTGVXAUSA-N 1 3 301.459 3.543 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422926072 1027361527 /nfs/dbraw/zinc/36/15/27/1027361527.db2.gz WCZGBGZDSRBYRJ-TXCZRRACSA-N 1 3 322.880 3.618 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NC1(c2cccc(Br)c2)CCC1 ZINC000422940002 1027369872 /nfs/dbraw/zinc/36/98/72/1027369872.db2.gz MRQGIANOMLZWGH-NWDGAFQWSA-N 1 3 311.267 3.544 20 0 DHADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422994511 1027384036 /nfs/dbraw/zinc/38/40/36/1027384036.db2.gz HXWVNNBKAFAIIE-LJDZDVQXSA-N 1 3 314.473 3.558 20 0 DHADHO Clc1ccccc1OCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422997415 1027388050 /nfs/dbraw/zinc/38/80/50/1027388050.db2.gz AXYYEHSPBLVOIJ-USXIJHARSA-N 1 3 322.880 3.619 20 0 DHADHO C[C@H](CCC[NH3+])NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000423045752 1027393178 /nfs/dbraw/zinc/39/31/78/1027393178.db2.gz CMBFSUPUIRNONR-GFCCVEGCSA-N 1 3 315.442 3.773 20 0 DHADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423024135 1027394984 /nfs/dbraw/zinc/39/49/84/1027394984.db2.gz LBMRARBNAYUHHI-JKSUJKDBSA-N 1 3 310.844 3.760 20 0 DHADHO C[C@@H](NCC1(c2ccc(Cl)cc2Cl)CCC1)C1C[NH2+]C1 ZINC000423019718 1027395133 /nfs/dbraw/zinc/39/51/33/1027395133.db2.gz WVWHJSVCSFZKCD-LLVKDONJSA-N 1 3 313.272 3.613 20 0 DHADHO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C1CCNCC1 ZINC000423020466 1027395393 /nfs/dbraw/zinc/39/53/93/1027395393.db2.gz BOJACNCSOMAFGY-RYUDHWBXSA-N 1 3 300.368 3.539 20 0 DHADHO COCC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423107938 1027425651 /nfs/dbraw/zinc/42/56/51/1027425651.db2.gz QIROKCIKLLHBRV-ZETOZRRWSA-N 1 3 319.276 3.786 20 0 DHADHO COCCC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCCCC1 ZINC000423065243 1027403424 /nfs/dbraw/zinc/40/34/24/1027403424.db2.gz SYQMDCOMYQAWEX-QZTJIDSGSA-N 1 3 302.462 3.708 20 0 DHADHO COCCC[C@H](Cc1ccccc1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423091088 1027414309 /nfs/dbraw/zinc/41/43/09/1027414309.db2.gz ZFHLZDRDQSXAIV-QMMLZNLJSA-N 1 3 324.468 3.759 20 0 DHADHO [NH3+][C@@H]1CCCCC[C@@H]1NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423099263 1027414882 /nfs/dbraw/zinc/41/48/82/1027414882.db2.gz LVAQDHAMANATJA-YCUKKYJWSA-N 1 3 310.844 3.975 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423098628 1027415667 /nfs/dbraw/zinc/41/56/67/1027415667.db2.gz CZLPPGYUVGWXJV-GXTWGEPZSA-N 1 3 300.899 3.831 20 0 DHADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423100076 1027416924 /nfs/dbraw/zinc/41/69/24/1027416924.db2.gz GDZPKWKHFFTMBD-SZMVWBNQSA-N 1 3 322.880 3.525 20 0 DHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423128336 1027421306 /nfs/dbraw/zinc/42/13/06/1027421306.db2.gz VRYBLYAREPLQCN-MTFMMBMASA-N 1 3 316.489 3.807 20 0 DHADHO COc1ccc([C@H](Cc2ccccc2)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423126637 1027421632 /nfs/dbraw/zinc/42/16/32/1027421632.db2.gz SBFMFYDZNNZIBY-YRNRMSPPSA-N 1 3 312.457 3.694 20 0 DHADHO Fc1cccc2c1CCC[C@@H]2N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423144970 1027429012 /nfs/dbraw/zinc/42/90/12/1027429012.db2.gz INKWRHGNSQOPDV-DSLXNQLJSA-N 1 3 302.437 3.713 20 0 DHADHO FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+]C2CCNCC2)c1 ZINC000423111159 1027429617 /nfs/dbraw/zinc/42/96/17/1027429617.db2.gz VZOKRPVDIMGPOC-JKSUJKDBSA-N 1 3 312.379 3.683 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCCc2c(F)cccc21 ZINC000423148332 1027432040 /nfs/dbraw/zinc/43/20/40/1027432040.db2.gz VDJXGYFMBBAXDE-ORAYPTAESA-N 1 3 313.420 3.716 20 0 DHADHO Cc1cccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423160080 1027437805 /nfs/dbraw/zinc/43/78/05/1027437805.db2.gz GUJMOTKSKVZMPL-NBHGPNQESA-N 1 3 322.452 3.902 20 0 DHADHO Cc1cc([C@@H](C)NCCC[NH2+]Cc2cccnc2)cc(C)c1F ZINC000423190200 1027449683 /nfs/dbraw/zinc/44/96/83/1027449683.db2.gz QLNRLQZVDGVCHP-MRXNPFEDSA-N 1 3 315.436 3.668 20 0 DHADHO COc1ccc([C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)C(C)C)cc1 ZINC000575147306 1027458778 /nfs/dbraw/zinc/45/87/78/1027458778.db2.gz SFXQYEUXUYSXIN-ZIFCJYIRSA-N 1 3 304.478 3.855 20 0 DHADHO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C(C)C)cc1 ZINC000575147306 1027458785 /nfs/dbraw/zinc/45/87/85/1027458785.db2.gz SFXQYEUXUYSXIN-ZIFCJYIRSA-N 1 3 304.478 3.855 20 0 DHADHO C[C@H]([NH3+])CCN[C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423223261 1027465886 /nfs/dbraw/zinc/46/58/86/1027465886.db2.gz FQRNYODDWLWQCC-SMDDNHRTSA-N 1 3 319.449 3.654 20 0 DHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423251106 1027476354 /nfs/dbraw/zinc/47/63/54/1027476354.db2.gz WBFGSTMKDTYISL-FOIQADDNSA-N 1 3 320.440 3.531 20 0 DHADHO CC(C)[C@H](N)C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423284473 1027482629 /nfs/dbraw/zinc/48/26/29/1027482629.db2.gz YBIPJRDMUILJFG-MSOLQXFVSA-N 1 3 317.864 3.592 20 0 DHADHO COc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000423292685 1027485847 /nfs/dbraw/zinc/48/58/47/1027485847.db2.gz NYQVMMPZQMGULL-KBPBESRZSA-N 1 3 314.429 3.574 20 0 DHADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423278786 1027494538 /nfs/dbraw/zinc/49/45/38/1027494538.db2.gz RNOQDCFJEXFVPF-LSDHHAIUSA-N 1 3 315.486 3.850 20 0 DHADHO CC(C)[C@@H]([NH2+]C[C@H](N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423314660 1027497031 /nfs/dbraw/zinc/49/70/31/1027497031.db2.gz HLYHROHTIHAIRV-LSDHHAIUSA-N 1 3 300.368 3.729 20 0 DHADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC1(N)CCC1 ZINC000423319485 1027500174 /nfs/dbraw/zinc/50/01/74/1027500174.db2.gz FMEAELMDWULIOW-GFCCVEGCSA-N 1 3 301.459 3.651 20 0 DHADHO C[C@@H]([NH2+]CC1(N)CCC1)c1cccc(OCc2ccccc2)c1 ZINC000423316497 1027500565 /nfs/dbraw/zinc/50/05/65/1027500565.db2.gz BSJIYWOSATUAIB-MRXNPFEDSA-N 1 3 310.441 3.798 20 0 DHADHO CC(C)C[C@@H](Cc1ccc(Cl)cc1Cl)NCC1C[NH2+]C1 ZINC000423302450 1027504698 /nfs/dbraw/zinc/50/46/98/1027504698.db2.gz JNESKYRGFRUPIY-HNNXBMFYSA-N 1 3 315.288 3.760 20 0 DHADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(OCc2ccccc2)cc1 ZINC000423334534 1027515461 /nfs/dbraw/zinc/51/54/61/1027515461.db2.gz WQRZBXKEZUBFFK-FOIQADDNSA-N 1 3 310.441 3.654 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@@]1(C)CCC[NH2+]C1 ZINC000423349120 1027516908 /nfs/dbraw/zinc/51/69/08/1027516908.db2.gz VEAJFJCZQCMWFZ-QUCCMNQESA-N 1 3 311.473 3.833 20 0 DHADHO C[C@H](CCCC[NH3+])N[C@H](C)c1csc(-c2ccccc2)n1 ZINC000423442124 1027543096 /nfs/dbraw/zinc/54/30/96/1027543096.db2.gz UXJPOQDVMOCRRR-ZIAGYGMSSA-N 1 3 303.475 3.978 20 0 DHADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423437145 1027552525 /nfs/dbraw/zinc/55/25/25/1027552525.db2.gz GDAARXFLJYLGBS-VWYCJHECSA-N 1 3 306.397 3.727 20 0 DHADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423483437 1027572141 /nfs/dbraw/zinc/57/21/41/1027572141.db2.gz XUPQHKVQESNDOR-JQWIXIFHSA-N 1 3 306.397 3.729 20 0 DHADHO COc1cccc2cc([C@@H](C)NCc3ccc(C[NH3+])cc3)oc21 ZINC000576637550 1027643488 /nfs/dbraw/zinc/64/34/88/1027643488.db2.gz LMEKPXUWDXHDKX-CYBMUJFWSA-N 1 3 310.397 3.751 20 0 DHADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(-c3ccncc3)c2)C1 ZINC000576985442 1027689568 /nfs/dbraw/zinc/68/95/68/1027689568.db2.gz YXDKUZCFKIYXTD-LEWJYISDSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(-c3ccncc3)c2)C1 ZINC000576985442 1027689573 /nfs/dbraw/zinc/68/95/73/1027689573.db2.gz YXDKUZCFKIYXTD-LEWJYISDSA-N 1 3 321.468 3.665 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCC2(c3c(F)cccc3F)CCCC2)C1 ZINC000577004906 1027691666 /nfs/dbraw/zinc/69/16/66/1027691666.db2.gz OHJPXKIUZLRFFU-KBPBESRZSA-N 1 3 308.416 3.636 20 0 DHADHO CC(C)c1nccn1[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000364579431 1027843903 /nfs/dbraw/zinc/84/39/03/1027843903.db2.gz MDWARLZZFFWINF-SFHVURJKSA-N 1 3 318.509 3.519 20 0 DHADHO CC(C)c1nccn1[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000364579431 1027843923 /nfs/dbraw/zinc/84/39/23/1027843923.db2.gz MDWARLZZFFWINF-SFHVURJKSA-N 1 3 318.509 3.519 20 0 DHADHO Cc1ncccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000527989312 1028015151 /nfs/dbraw/zinc/01/51/51/1028015151.db2.gz XOQOIDZZWWTQRT-MZADTFQBSA-N 1 3 321.468 3.675 20 0 DHADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@@H]1OCCc2sccc21 ZINC000366527953 1028091226 /nfs/dbraw/zinc/09/12/26/1028091226.db2.gz JWVIGMQOPRDXEK-GUYCJALGSA-N 1 3 322.518 3.603 20 0 DHADHO COCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000367086625 1028134847 /nfs/dbraw/zinc/13/48/47/1028134847.db2.gz MBDLKPRBLVDPOE-AZUAARDMSA-N 1 3 322.537 3.826 20 0 DHADHO C[NH+]1CCC2(CCCN2C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000367308348 1028162417 /nfs/dbraw/zinc/16/24/17/1028162417.db2.gz OIXYEOHZCFMLIB-DUXPYHPUSA-N 1 3 306.400 3.538 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](C)c2cc(F)cc(F)c2)C[C@@H]1C ZINC000449031144 1028272043 /nfs/dbraw/zinc/27/20/43/1028272043.db2.gz UMNZYPJTWOGBHQ-DEYYWGMASA-N 1 3 310.432 3.873 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)C[C@H](C)c2cc(F)cc(F)c2)C[C@@H]1C ZINC000449031144 1028272057 /nfs/dbraw/zinc/27/20/57/1028272057.db2.gz UMNZYPJTWOGBHQ-DEYYWGMASA-N 1 3 310.432 3.873 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC000449092720 1028365849 /nfs/dbraw/zinc/36/58/49/1028365849.db2.gz MYXJUYBHDAGQHX-HOTGVXAUSA-N 1 3 300.446 3.685 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@@H]3OCCC[C@H]23)CC1 ZINC000449267592 1028493928 /nfs/dbraw/zinc/49/39/28/1028493928.db2.gz AEHSHLPJLBPCDB-KURKYZTESA-N 1 3 322.537 3.823 20 0 DHADHO COc1cc(C[NH2+]C2CC(N3CCCCC3)C2)cc2ccccc21 ZINC000449297143 1028520843 /nfs/dbraw/zinc/52/08/43/1028520843.db2.gz FHRUNGHEBMYBAJ-UHFFFAOYSA-N 1 3 324.468 3.955 20 0 DHADHO COC1(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCCC1 ZINC000449345782 1028556385 /nfs/dbraw/zinc/55/63/85/1028556385.db2.gz JUZICOXPBFRDHU-FUHWJXTLSA-N 1 3 308.510 3.578 20 0 DHADHO Cc1cccnc1C(C)(C)CNC1CC[NH+](C2CCCC2)CC1 ZINC000565511937 1028596664 /nfs/dbraw/zinc/59/66/64/1028596664.db2.gz YWNYTUKDSVDHHH-UHFFFAOYSA-N 1 3 315.505 3.664 20 0 DHADHO Cc1cccnc1C(C)(C)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000565511937 1028596671 /nfs/dbraw/zinc/59/66/71/1028596671.db2.gz YWNYTUKDSVDHHH-UHFFFAOYSA-N 1 3 315.505 3.664 20 0 DHADHO N[C@H]1C[C@@H]([NH2+]CCc2ccc3ccccc3n2)c2ccccc21 ZINC000565886101 1028648381 /nfs/dbraw/zinc/64/83/81/1028648381.db2.gz JYNWMWQEEDESFJ-AZUAARDMSA-N 1 3 303.409 3.512 20 0 DHADHO Cc1cccnc1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449484401 1028693692 /nfs/dbraw/zinc/69/36/92/1028693692.db2.gz MFQPSRUFVJXIJE-UHFFFAOYSA-N 1 3 315.505 3.709 20 0 DHADHO C[C@@H]1C[C@@H](N[C@H](c2cccnc2)C2CCCCC2)CC[N@@H+]1C ZINC000372064466 1028802417 /nfs/dbraw/zinc/80/24/17/1028802417.db2.gz DUFMAYYJJNUTQL-MNEFBYGVSA-N 1 3 301.478 3.775 20 0 DHADHO C[C@@H]1C[C@@H](N[C@H](c2cccnc2)C2CCCCC2)CC[N@H+]1C ZINC000372064466 1028802443 /nfs/dbraw/zinc/80/24/43/1028802443.db2.gz DUFMAYYJJNUTQL-MNEFBYGVSA-N 1 3 301.478 3.775 20 0 DHADHO CC1(C)SC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000566986514 1028814281 /nfs/dbraw/zinc/81/42/81/1028814281.db2.gz GECJQLSTVXAUCK-ZJPYXAASSA-N 1 3 316.514 3.666 20 0 DHADHO CC1(C)SC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000566986514 1028814292 /nfs/dbraw/zinc/81/42/92/1028814292.db2.gz GECJQLSTVXAUCK-ZJPYXAASSA-N 1 3 316.514 3.666 20 0 DHADHO CCO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449756213 1028976880 /nfs/dbraw/zinc/97/68/80/1028976880.db2.gz OWNDLVISTACVBL-NXWXRZEISA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](N[C@H]1C[C@H]1c1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411520833 1029147188 /nfs/dbraw/zinc/14/71/88/1029147188.db2.gz XCNJWNTUMXHIJH-QHERXFFYSA-N 1 3 316.464 3.924 20 0 DHADHO C[C@H](N[C@H]1C[C@H]1c1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411520833 1029147200 /nfs/dbraw/zinc/14/72/00/1029147200.db2.gz XCNJWNTUMXHIJH-QHERXFFYSA-N 1 3 316.464 3.924 20 0 DHADHO C[C@H]([NH2+][C@H]1C[C@H]1c1cccc(F)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000411520833 1029147208 /nfs/dbraw/zinc/14/72/08/1029147208.db2.gz XCNJWNTUMXHIJH-QHERXFFYSA-N 1 3 316.464 3.924 20 0 DHADHO c1cc2cc(CC[NH2+]C3CCN(C4CCCC4)CC3)ccc2[nH]1 ZINC000374211808 1029239066 /nfs/dbraw/zinc/23/90/66/1029239066.db2.gz QAMDGUZNRVBXPB-UHFFFAOYSA-N 1 3 311.473 3.707 20 0 DHADHO c1cc2cc(CCNC3CC[NH+](C4CCCC4)CC3)ccc2[nH]1 ZINC000374211808 1029239076 /nfs/dbraw/zinc/23/90/76/1029239076.db2.gz QAMDGUZNRVBXPB-UHFFFAOYSA-N 1 3 311.473 3.707 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccccc1Cl ZINC000817909022 1029273463 /nfs/dbraw/zinc/27/34/63/1029273463.db2.gz WMEKNAIRFSDVKZ-CHWSQXEVSA-N 1 3 317.864 3.784 20 0 DHADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccc(CC[NH3+])cc1)CCCO2 ZINC000817948861 1029289806 /nfs/dbraw/zinc/28/98/06/1029289806.db2.gz LUWVREZGKDIBAQ-HXUWFJFHSA-N 1 3 324.468 3.808 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21)[C@H](C)N ZINC000817978224 1029317716 /nfs/dbraw/zinc/31/77/16/1029317716.db2.gz YROMGNYXWZJOQM-IMSIIYSGSA-N 1 3 300.418 3.704 20 0 DHADHO COCC[NH2+]C1CCN(C[C@H](CC(C)C)c2ccccc2)CC1 ZINC000570167273 1029327012 /nfs/dbraw/zinc/32/70/12/1029327012.db2.gz WVCGVMKHDRHMAG-IBGZPJMESA-N 1 3 318.505 3.517 20 0 DHADHO Cc1cccnc1C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000570238790 1029336069 /nfs/dbraw/zinc/33/60/69/1029336069.db2.gz YNODJXXSUQPHAN-ROUUACIJSA-N 1 3 323.484 3.636 20 0 DHADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCC1CCCCC1 ZINC000570366396 1029358328 /nfs/dbraw/zinc/35/83/28/1029358328.db2.gz ZKJBVMBUAZONGJ-GUDVDZBRSA-N 1 3 308.510 3.530 20 0 DHADHO COc1c(C(C)(C)C)cc(N[C@@H](N)CCC[NH3+])cc1C(C)(C)C ZINC001170900875 1029371096 /nfs/dbraw/zinc/37/10/96/1029371096.db2.gz QZJZNDUDMNWJIR-MRXNPFEDSA-N 1 3 321.509 3.726 20 0 DHADHO CC1CC[NH+](C[C@H]2CCCN(C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000450326081 1029378536 /nfs/dbraw/zinc/37/85/36/1029378536.db2.gz XBRSVNAUTNZTFR-DLBZAZTESA-N 1 3 314.464 3.866 20 0 DHADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cc3ccccc3s2)C1 ZINC000571007101 1029442627 /nfs/dbraw/zinc/44/26/27/1029442627.db2.gz XRSPBWOECBODSW-WBVHZDCISA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cc3ccccc3s2)C1 ZINC000571007101 1029442630 /nfs/dbraw/zinc/44/26/30/1029442630.db2.gz XRSPBWOECBODSW-WBVHZDCISA-N 1 3 300.471 3.817 20 0 DHADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3ccccc3s2)C1 ZINC000571007101 1029442632 /nfs/dbraw/zinc/44/26/32/1029442632.db2.gz XRSPBWOECBODSW-WBVHZDCISA-N 1 3 300.471 3.817 20 0 DHADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3ccccc3s2)C1 ZINC000571007101 1029442635 /nfs/dbraw/zinc/44/26/35/1029442635.db2.gz XRSPBWOECBODSW-WBVHZDCISA-N 1 3 300.471 3.817 20 0 DHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)c2ccccc2)CC1 ZINC000819077801 1029479791 /nfs/dbraw/zinc/47/97/91/1029479791.db2.gz DFPUIYCNVGUFSO-LAUBAEHRSA-N 1 3 324.468 3.535 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(Cl)c(OC)c2)[C@@H](C)C1 ZINC000450572358 1029553913 /nfs/dbraw/zinc/55/39/13/1029553913.db2.gz UNMRBPNGXKBYNZ-XJKSGUPXSA-N 1 3 310.869 3.511 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)c(OC)c2)[C@@H](C)C1 ZINC000450572358 1029553927 /nfs/dbraw/zinc/55/39/27/1029553927.db2.gz UNMRBPNGXKBYNZ-XJKSGUPXSA-N 1 3 310.869 3.511 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000450724329 1029634818 /nfs/dbraw/zinc/63/48/18/1029634818.db2.gz GFKJZAJGVVKAGM-ZNMIVQPWSA-N 1 3 300.437 3.664 20 0 DHADHO NCCC[N@H+](C1CCCCC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170948336 1029732029 /nfs/dbraw/zinc/73/20/29/1029732029.db2.gz GDVKENHVTNHFDT-QGZVFWFLSA-N 1 3 304.453 3.667 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170948336 1029732038 /nfs/dbraw/zinc/73/20/38/1029732038.db2.gz GDVKENHVTNHFDT-QGZVFWFLSA-N 1 3 304.453 3.667 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2ccc(Cl)cc2)C[C@@H]1C ZINC000530662788 1029948669 /nfs/dbraw/zinc/94/86/69/1029948669.db2.gz BVHUZHCXJYXQIM-DOTOQJQBSA-N 1 3 324.896 3.914 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCCOc2ccc(Cl)cc2)C[C@@H]1C ZINC000530662788 1029948674 /nfs/dbraw/zinc/94/86/74/1029948674.db2.gz BVHUZHCXJYXQIM-DOTOQJQBSA-N 1 3 324.896 3.914 20 0 DHADHO CCCOc1cc(C)ccc1C[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000468983090 1029986771 /nfs/dbraw/zinc/98/67/71/1029986771.db2.gz KSWTXTYWINIORQ-AEFFLSMTSA-N 1 3 304.478 3.604 20 0 DHADHO C[NH+](C)C1(C)CCC(NCc2ncc(C(F)(F)F)s2)CC1 ZINC000865765311 1030015108 /nfs/dbraw/zinc/01/51/08/1030015108.db2.gz QAPWLFDIUWHANO-UHFFFAOYSA-N 1 3 321.412 3.514 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cc(Cl)cc2cccnc21 ZINC000290622173 1030128294 /nfs/dbraw/zinc/12/82/94/1030128294.db2.gz XHLXJKCWYHCZHJ-GUYCJALGSA-N 1 3 317.864 3.660 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc(Cl)cc2cccnc21 ZINC000290622173 1030128318 /nfs/dbraw/zinc/12/83/18/1030128318.db2.gz XHLXJKCWYHCZHJ-GUYCJALGSA-N 1 3 317.864 3.660 20 0 DHADHO CCSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCN(CC)C1 ZINC000924704671 1030166304 /nfs/dbraw/zinc/16/63/04/1030166304.db2.gz GTHYCOWOISGLGZ-JKSUJKDBSA-N 1 3 306.519 3.661 20 0 DHADHO COc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000866289809 1030208671 /nfs/dbraw/zinc/20/86/71/1030208671.db2.gz KOGJJQWBNDGIJP-GOSISDBHSA-N 1 3 302.462 3.535 20 0 DHADHO C[N@H+]1CC=C(CN[C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866314807 1030224780 /nfs/dbraw/zinc/22/47/80/1030224780.db2.gz PFTZWGAEFFUKRH-OAQYLSRUSA-N 1 3 321.468 3.607 20 0 DHADHO C[N@@H+]1CC=C(CN[C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866314807 1030224794 /nfs/dbraw/zinc/22/47/94/1030224794.db2.gz PFTZWGAEFFUKRH-OAQYLSRUSA-N 1 3 321.468 3.607 20 0 DHADHO Cc1cc(C)cc([C@@H](NCC2CC[NH+](C)CC2)c2cccnc2)c1 ZINC000924964184 1030238941 /nfs/dbraw/zinc/23/89/41/1030238941.db2.gz OZSJNQGJRAUWQW-NRFANRHFSA-N 1 3 323.484 3.719 20 0 DHADHO COc1cc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000925008061 1030248912 /nfs/dbraw/zinc/24/89/12/1030248912.db2.gz BCSHDWKTIGFADG-JKSUJKDBSA-N 1 3 312.457 3.841 20 0 DHADHO COc1cc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc2ccccc21 ZINC000925008061 1030248926 /nfs/dbraw/zinc/24/89/26/1030248926.db2.gz BCSHDWKTIGFADG-JKSUJKDBSA-N 1 3 312.457 3.841 20 0 DHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCCc3nccs3)CC2)C1 ZINC000358043903 1030297303 /nfs/dbraw/zinc/29/73/03/1030297303.db2.gz WZZGICRUGUCMRJ-RDJZCZTQSA-N 1 3 321.534 3.708 20 0 DHADHO CC(C)[C@H](C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)c1cccnc1 ZINC000925539020 1030392655 /nfs/dbraw/zinc/39/26/55/1030392655.db2.gz XWGMAJXRODYFSC-SLFFLAALSA-N 1 3 315.505 3.579 20 0 DHADHO C[C@H]([NH3+])[C@H](N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000925536927 1030393277 /nfs/dbraw/zinc/39/32/77/1030393277.db2.gz SXLNUMAOEBNYRS-MXAVVETBSA-N 1 3 300.368 3.786 20 0 DHADHO C[C@H](NCc1ccc2c(c1)COC2)c1cccc(C[NH+](C)C)c1 ZINC000925569281 1030409164 /nfs/dbraw/zinc/40/91/64/1030409164.db2.gz ZXMRTQNHNBBTJJ-HNNXBMFYSA-N 1 3 310.441 3.629 20 0 DHADHO c1ccc(C[NH+]2CCC(N[C@@H](c3cccnc3)C3CC3)CC2)cc1 ZINC000358352411 1030449817 /nfs/dbraw/zinc/44/98/17/1030449817.db2.gz IVVYBFNWSQKMDZ-OAQYLSRUSA-N 1 3 321.468 3.787 20 0 DHADHO CSCC1CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925681082 1030451321 /nfs/dbraw/zinc/45/13/21/1030451321.db2.gz VVJDDGBPHJXNGT-SYNTWQANSA-N 1 3 310.551 3.666 20 0 DHADHO CC1(C)C[C@@H]([NH3+])C[C@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000925723902 1030465357 /nfs/dbraw/zinc/46/53/57/1030465357.db2.gz DJXIPPDJLJXSJR-NXOAAHMSSA-N 1 3 322.880 3.666 20 0 DHADHO Cc1nc([C@@H](C)NCCCCCC2CC[NH2+]CC2)c(C)s1 ZINC000925807864 1030505284 /nfs/dbraw/zinc/50/52/84/1030505284.db2.gz KYTSEFXXQGIFQU-CYBMUJFWSA-N 1 3 309.523 3.971 20 0 DHADHO c1cnc2ccc(CC[NH2+][C@@H]3CCNC[C@H]3C3CCCC3)cc2c1 ZINC000925815364 1030509503 /nfs/dbraw/zinc/50/95/03/1030509503.db2.gz XBMRQQILWQMGKA-PZJWPPBQSA-N 1 3 323.484 3.535 20 0 DHADHO C[C@@H](c1ccc(Br)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358507404 1030517635 /nfs/dbraw/zinc/51/76/35/1030517635.db2.gz KGRKLSKAHOTJNK-ZDUSSCGKSA-N 1 3 323.278 3.586 20 0 DHADHO Cc1ccc(-c2cc(C[N@@H+](C)[C@H]3CCN(C)[C@@H](C)C3)on2)cc1 ZINC000246951116 1030665767 /nfs/dbraw/zinc/66/57/67/1030665767.db2.gz RCICKZJPNUIYCE-RDJZCZTQSA-N 1 3 313.445 3.565 20 0 DHADHO Cc1ccc(-c2cc(C[N@H+](C)[C@H]3CCN(C)[C@@H](C)C3)on2)cc1 ZINC000246951116 1030665779 /nfs/dbraw/zinc/66/57/79/1030665779.db2.gz RCICKZJPNUIYCE-RDJZCZTQSA-N 1 3 313.445 3.565 20 0 DHADHO Cc1ccc([C@H](NCC[C@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000926571798 1030801423 /nfs/dbraw/zinc/80/14/23/1030801423.db2.gz CMQSFEUPJWISKB-NQIIRXRSSA-N 1 3 323.484 3.801 20 0 DHADHO Cc1ccc([C@H](NCC[C@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000926571798 1030801439 /nfs/dbraw/zinc/80/14/39/1030801439.db2.gz CMQSFEUPJWISKB-NQIIRXRSSA-N 1 3 323.484 3.801 20 0 DHADHO CSC[C@H]([NH2+]CCCN(C)C)c1ccc(C(F)(F)F)cc1 ZINC000359201900 1030839673 /nfs/dbraw/zinc/83/96/73/1030839673.db2.gz BFUFAEFHYAUGPL-AWEZNQCLSA-N 1 3 320.424 3.651 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171110255 1030989670 /nfs/dbraw/zinc/98/96/70/1030989670.db2.gz MGBNRLRZRQISSI-OKZBNKHCSA-N 1 3 306.881 3.660 20 0 DHADHO CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000359593523 1031051045 /nfs/dbraw/zinc/05/10/45/1031051045.db2.gz RZTAEHGCRQGBNS-OXQOHEQNSA-N 1 3 309.457 3.884 20 0 DHADHO CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000359593523 1031051055 /nfs/dbraw/zinc/05/10/55/1031051055.db2.gz RZTAEHGCRQGBNS-OXQOHEQNSA-N 1 3 309.457 3.884 20 0 DHADHO C[NH2+]CCC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000262002756 1031088904 /nfs/dbraw/zinc/08/89/04/1031088904.db2.gz QIXWGLKIVPRSDM-UHFFFAOYSA-N 1 3 315.486 3.632 20 0 DHADHO CN(CCC[NH+]1CCCC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171131595 1031201670 /nfs/dbraw/zinc/20/16/70/1031201670.db2.gz YAOFUYYYJYWBAG-SFHVURJKSA-N 1 3 306.881 3.615 20 0 DHADHO Cc1ccc(-c2ccc(CN[C@H]3CCC[NH2+]CC3)s2)cc1 ZINC000666855180 1031420402 /nfs/dbraw/zinc/42/04/02/1031420402.db2.gz CJVRYEHKMSGDOT-INIZCTEOSA-N 1 3 300.471 3.955 20 0 DHADHO CC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000872040742 1031425996 /nfs/dbraw/zinc/42/59/96/1031425996.db2.gz MVYUBCGQJFSSPJ-LPHOPBHVSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCOc1cccc(C(C)(C)C)c1 ZINC000536870113 1031463090 /nfs/dbraw/zinc/46/30/90/1031463090.db2.gz LHPAJKHIGSPQFW-MDZRGWNJSA-N 1 3 318.505 3.681 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCOc1cccc(C(C)(C)C)c1 ZINC000536870113 1031463097 /nfs/dbraw/zinc/46/30/97/1031463097.db2.gz LHPAJKHIGSPQFW-MDZRGWNJSA-N 1 3 318.505 3.681 20 0 DHADHO CC(C)c1ccccc1NC(=O)[C@H](C)N(C)CCCCCC[NH3+] ZINC000872155290 1031535463 /nfs/dbraw/zinc/53/54/63/1031535463.db2.gz QNBWRQTWYAOJDU-INIZCTEOSA-N 1 3 319.493 3.588 20 0 DHADHO c1c2ccccc2sc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000293874332 1031668796 /nfs/dbraw/zinc/66/87/96/1031668796.db2.gz ZUGXLNDBDOCEME-CVEARBPZSA-N 1 3 300.471 3.660 20 0 DHADHO c1c2ccccc2sc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000293874332 1031668805 /nfs/dbraw/zinc/66/88/05/1031668805.db2.gz ZUGXLNDBDOCEME-CVEARBPZSA-N 1 3 300.471 3.660 20 0 DHADHO c1cc([C@@H]2CCCN2Cc2cc3c(s2)CC[NH2+]C3)cs1 ZINC000873202973 1031758297 /nfs/dbraw/zinc/75/82/97/1031758297.db2.gz KHFXHAPPPLMLBM-HNNXBMFYSA-N 1 3 304.484 3.792 20 0 DHADHO COc1ccc([C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C2CC2)cc1 ZINC000873244539 1031772880 /nfs/dbraw/zinc/77/28/80/1031772880.db2.gz MQTDPXJAJBMWNW-SJLPKXTDSA-N 1 3 302.462 3.514 20 0 DHADHO [NH3+][C@H]1C[C@@H](CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000873252473 1031775861 /nfs/dbraw/zinc/77/58/61/1031775861.db2.gz SNHSHLZPDFFRAN-HNJNHCNJSA-N 1 3 318.823 3.895 20 0 DHADHO Cc1ccccc1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000096245645 1033317151 /nfs/dbraw/zinc/31/71/51/1033317151.db2.gz DNDNDXMPAWGLSX-SFTDATJTSA-N 1 3 306.453 3.559 20 0 DHADHO CC[C@H](N[C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000643521510 1033331273 /nfs/dbraw/zinc/33/12/73/1033331273.db2.gz NQCBQLIUTYKKML-CABCVRRESA-N 1 3 311.267 3.632 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCS[C@@H](C)C3)CC2)C1 ZINC000927028921 1033339592 /nfs/dbraw/zinc/33/95/92/1033339592.db2.gz BSPZCYGUADQKCB-FZCLSBEQSA-N 1 3 310.551 3.903 20 0 DHADHO CN1CC[C@@H]2C[N@@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001172822013 1033383873 /nfs/dbraw/zinc/38/38/73/1033383873.db2.gz OXUNDSWYCSWLAV-YZDRJCRTSA-N 1 3 312.501 3.671 20 0 DHADHO CN1CC[C@@H]2C[N@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001172822013 1033383878 /nfs/dbraw/zinc/38/38/78/1033383878.db2.gz OXUNDSWYCSWLAV-YZDRJCRTSA-N 1 3 312.501 3.671 20 0 DHADHO Cc1ccc2c(c1)C[C@@H](N1CCC([NH3+])(c3ccccc3)CC1)CC2 ZINC001172827300 1033389905 /nfs/dbraw/zinc/38/99/05/1033389905.db2.gz BIGWJUUAMVXMDA-NRFANRHFSA-N 1 3 320.480 3.802 20 0 DHADHO C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc([O-])c1F ZINC000927039696 1033413691 /nfs/dbraw/zinc/41/36/91/1033413691.db2.gz VSICAQNLQDRZPI-WRSVWVKZSA-N 1 3 306.425 3.589 20 0 DHADHO CCc1cnc(CN(CC(C)C)CC2CC[NH+](C)CC2)s1 ZINC000877767632 1033441899 /nfs/dbraw/zinc/44/18/99/1033441899.db2.gz QMNOEYCFHODAMN-UHFFFAOYSA-N 1 3 309.523 3.505 20 0 DHADHO Cc1cc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc[nH+]1 ZINC000478261259 1033442088 /nfs/dbraw/zinc/44/20/88/1033442088.db2.gz OYUVTQYGDYLDJD-GOSISDBHSA-N 1 3 315.848 3.714 20 0 DHADHO CO[C@H]1CCC[C@H](N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001172930277 1033475581 /nfs/dbraw/zinc/47/55/81/1033475581.db2.gz RKANRDNHLQFCCS-IRXDYDNUSA-N 1 3 322.880 3.547 20 0 DHADHO CN(CCCOc1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000478535327 1033509461 /nfs/dbraw/zinc/50/94/61/1033509461.db2.gz GTWOFUCLKDGHLX-GOSISDBHSA-N 1 3 312.457 3.683 20 0 DHADHO CC[NH+](CC)C1CCC(N2CCOC[C@@H]2c2ccccc2)CC1 ZINC001173110040 1033545899 /nfs/dbraw/zinc/54/58/99/1033545899.db2.gz NICMWQPQASOLIS-SOAGJPPSSA-N 1 3 316.489 3.713 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000878411396 1033695090 /nfs/dbraw/zinc/69/50/90/1033695090.db2.gz JFECUHBEMCTPRE-ULQDDVLXSA-N 1 3 322.537 3.823 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000553463411 1033708112 /nfs/dbraw/zinc/70/81/12/1033708112.db2.gz HSNOWYDPHNBFTQ-ICSRJNTNSA-N 1 3 318.505 3.530 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000553463411 1033708121 /nfs/dbraw/zinc/70/81/21/1033708121.db2.gz HSNOWYDPHNBFTQ-ICSRJNTNSA-N 1 3 318.505 3.530 20 0 DHADHO C[C@H](CCCC(F)(F)F)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000480174732 1034113001 /nfs/dbraw/zinc/11/30/01/1034113001.db2.gz BBFBMFWPGZZBEY-KFWWJZLASA-N 1 3 324.431 3.587 20 0 DHADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2cccc(OC)c2)c1 ZINC000177298145 1034150117 /nfs/dbraw/zinc/15/01/17/1034150117.db2.gz ZUUDJBOTBCZWSS-MRXNPFEDSA-N 1 3 312.457 3.998 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2cccc(OC)c2)c1 ZINC000177298145 1034150121 /nfs/dbraw/zinc/15/01/21/1034150121.db2.gz ZUUDJBOTBCZWSS-MRXNPFEDSA-N 1 3 312.457 3.998 20 0 DHADHO Cc1cc(C[NH+]2CCC(C)(N3CCC3)CC2)c2ccccc2n1 ZINC000880472741 1034343704 /nfs/dbraw/zinc/34/37/04/1034343704.db2.gz AIOBGJNKWHHXOW-UHFFFAOYSA-N 1 3 309.457 3.603 20 0 DHADHO COC1(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCCCC1 ZINC000480679185 1034396775 /nfs/dbraw/zinc/39/67/75/1034396775.db2.gz JFSKJVNIHLWCEX-HKUYNNGSSA-N 1 3 322.537 3.968 20 0 DHADHO COCC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000554993711 1034450647 /nfs/dbraw/zinc/45/06/47/1034450647.db2.gz DMVROVJFLKULCI-UHFFFAOYSA-N 1 3 322.537 3.970 20 0 DHADHO c1ccc(CCCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000480879250 1034491321 /nfs/dbraw/zinc/49/13/21/1034491321.db2.gz KYKBTMPITRDPFI-PZJWPPBQSA-N 1 3 312.501 3.958 20 0 DHADHO c1ccc(CCCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000480879250 1034491333 /nfs/dbraw/zinc/49/13/33/1034491333.db2.gz KYKBTMPITRDPFI-PZJWPPBQSA-N 1 3 312.501 3.958 20 0 DHADHO CCC[NH+]1CCC(CNCc2nc(C(C)(C)C)cs2)CC1 ZINC000865451264 1034654642 /nfs/dbraw/zinc/65/46/42/1034654642.db2.gz LAGNCXPPDWMAAA-UHFFFAOYSA-N 1 3 309.523 3.652 20 0 DHADHO CCCCN(CCOCC1CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174985107 1034746018 /nfs/dbraw/zinc/74/60/18/1034746018.db2.gz WJIMQVSBURWMMS-UHFFFAOYSA-N 1 3 310.526 3.824 20 0 DHADHO CC(C)CN(CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCc2cccnc21 ZINC000481344625 1034768504 /nfs/dbraw/zinc/76/85/04/1034768504.db2.gz SRMKWHYMNMNELD-OALUTQOASA-N 1 3 315.505 3.901 20 0 DHADHO CC(C)CN(CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCc2cccnc21 ZINC000481344625 1034768514 /nfs/dbraw/zinc/76/85/14/1034768514.db2.gz SRMKWHYMNMNELD-OALUTQOASA-N 1 3 315.505 3.901 20 0 DHADHO CCC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000192785206 1034818941 /nfs/dbraw/zinc/81/89/41/1034818941.db2.gz BROUKDBVQSHHBV-HXUWFJFHSA-N 1 3 317.521 3.534 20 0 DHADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCN1CCCC1 ZINC000481910546 1035032951 /nfs/dbraw/zinc/03/29/51/1035032951.db2.gz AVPTZGOAHKRTIU-AWEZNQCLSA-N 1 3 314.395 3.712 20 0 DHADHO [NH3+]C[C@H]1C[C@H](N[C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000902487579 1035221738 /nfs/dbraw/zinc/22/17/38/1035221738.db2.gz KPWYULGYFDORHD-NQMVMOMDSA-N 1 3 305.274 3.759 20 0 DHADHO CCOc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1OC ZINC000162306383 1035234015 /nfs/dbraw/zinc/23/40/15/1035234015.db2.gz OSQGYVZNZVYMRJ-INIZCTEOSA-N 1 3 320.477 3.621 20 0 DHADHO COc1ccc2c(c1)[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000483186438 1035240186 /nfs/dbraw/zinc/24/01/86/1035240186.db2.gz QGSUDRNXDUENLD-QZTJIDSGSA-N 1 3 304.478 3.639 20 0 DHADHO COc1ccc2c(c1)[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000483186441 1035240240 /nfs/dbraw/zinc/24/02/40/1035240240.db2.gz QGSUDRNXDUENLD-ZWKOTPCHSA-N 1 3 304.478 3.639 20 0 DHADHO COc1cccc(-c2ccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)c1 ZINC000483717220 1035292467 /nfs/dbraw/zinc/29/24/67/1035292467.db2.gz YWHMAWYHHNFNHH-HRAATJIYSA-N 1 3 324.468 3.792 20 0 DHADHO COc1cccc(-c2ccc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)c1 ZINC000483717220 1035292468 /nfs/dbraw/zinc/29/24/68/1035292468.db2.gz YWHMAWYHHNFNHH-HRAATJIYSA-N 1 3 324.468 3.792 20 0 DHADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001206303622 1035369349 /nfs/dbraw/zinc/36/93/49/1035369349.db2.gz DZYAIUHNOBILBH-OAHLLOKOSA-N 1 3 318.358 3.795 20 0 DHADHO CC(C)[NH2+]C1CCN([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000191301015 1035677503 /nfs/dbraw/zinc/67/75/03/1035677503.db2.gz CPPFHNZUSKVSCV-UXHICEINSA-N 1 3 300.490 3.959 20 0 DHADHO Cc1c([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)cnn1C(C)(C)C ZINC000191500057 1035696030 /nfs/dbraw/zinc/69/60/30/1035696030.db2.gz PVXAZCPLOZZHJX-OAHLLOKOSA-N 1 3 320.525 3.719 20 0 DHADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000191570346 1035703308 /nfs/dbraw/zinc/70/33/08/1035703308.db2.gz UUAMPLAPNJPBSW-RTBURBONSA-N 1 3 323.569 3.597 20 0 DHADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000494747519 1035854639 /nfs/dbraw/zinc/85/46/39/1035854639.db2.gz ICXKUDPFWAKKAL-LNLFQRSKSA-N 1 3 304.478 3.617 20 0 DHADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cc3c(cccc3O)s2)C1 ZINC001181534520 1035935125 /nfs/dbraw/zinc/93/51/25/1035935125.db2.gz MDFKLABJRNGWIJ-CJNGLKHVSA-N 1 3 316.470 3.523 20 0 DHADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cc3c(cccc3O)s2)C1 ZINC001181534520 1035935134 /nfs/dbraw/zinc/93/51/34/1035935134.db2.gz MDFKLABJRNGWIJ-CJNGLKHVSA-N 1 3 316.470 3.523 20 0 DHADHO CCc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000540171294 1035991775 /nfs/dbraw/zinc/99/17/75/1035991775.db2.gz QHUCHUSHNSMBOB-OWCLPIDISA-N 1 3 324.534 3.851 20 0 DHADHO Clc1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250233580 1036258443 /nfs/dbraw/zinc/25/84/43/1036258443.db2.gz CBAYTMIUNPYFSM-CCRGXQTGSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250233580 1036258461 /nfs/dbraw/zinc/25/84/61/1036258461.db2.gz CBAYTMIUNPYFSM-CCRGXQTGSA-N 1 3 304.865 3.802 20 0 DHADHO CCCN1CCC([N@H+](C)Cc2ccc(OCC)c(F)c2)CC1 ZINC000495158130 1036295576 /nfs/dbraw/zinc/29/55/76/1036295576.db2.gz PWKVCHLJLXPSPC-UHFFFAOYSA-N 1 3 308.441 3.531 20 0 DHADHO CCCN1CCC([N@@H+](C)Cc2ccc(OCC)c(F)c2)CC1 ZINC000495158130 1036295593 /nfs/dbraw/zinc/29/55/93/1036295593.db2.gz PWKVCHLJLXPSPC-UHFFFAOYSA-N 1 3 308.441 3.531 20 0 DHADHO C[C@@H]([NH2+]CCCc1ccsc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000541603143 1036384787 /nfs/dbraw/zinc/38/47/87/1036384787.db2.gz NRNQSERGGMKCOJ-NVXWUHKLSA-N 1 3 306.519 3.923 20 0 DHADHO C[C@H](NCCOC1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601701 1036386494 /nfs/dbraw/zinc/38/64/94/1036386494.db2.gz NBIFVNRUUXCIPN-ROUUACIJSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@H](NCCOC1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601701 1036386509 /nfs/dbraw/zinc/38/65/09/1036386509.db2.gz NBIFVNRUUXCIPN-ROUUACIJSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@H]([NH2+]CCOC1CCCCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000541601701 1036386525 /nfs/dbraw/zinc/38/65/25/1036386525.db2.gz NBIFVNRUUXCIPN-ROUUACIJSA-N 1 3 322.537 3.968 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCN(C)C(C)C)CC3 ZINC000491357329 1036557842 /nfs/dbraw/zinc/55/78/42/1036557842.db2.gz YEQUPUIQWRLCGL-MRXNPFEDSA-N 1 3 313.489 3.654 20 0 DHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC/C=C\c2ccncc2)C1 ZINC000487332139 1036673804 /nfs/dbraw/zinc/67/38/04/1036673804.db2.gz ZCNXROARDKGUAL-DEEXUGAQSA-N 1 3 307.441 3.520 20 0 DHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC/C=C\c2ccncc2)C1 ZINC000487332139 1036673811 /nfs/dbraw/zinc/67/38/11/1036673811.db2.gz ZCNXROARDKGUAL-DEEXUGAQSA-N 1 3 307.441 3.520 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488339465 1036967934 /nfs/dbraw/zinc/96/79/34/1036967934.db2.gz ZWJSLWKCQMCDFS-UHFFFAOYSA-N 1 3 317.452 3.861 20 0 DHADHO CCCc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc2n1 ZINC000488716380 1037117630 /nfs/dbraw/zinc/11/76/30/1037117630.db2.gz BVDGRGAEEYXXLY-HXUWFJFHSA-N 1 3 309.457 3.719 20 0 DHADHO CCCc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1 ZINC000488716380 1037117640 /nfs/dbraw/zinc/11/76/40/1037117640.db2.gz BVDGRGAEEYXXLY-HXUWFJFHSA-N 1 3 309.457 3.719 20 0 DHADHO C[C@@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309685313 1037171327 /nfs/dbraw/zinc/17/13/27/1037171327.db2.gz APAORFZGVGTQOM-VQIMIIECSA-N 1 3 312.432 3.826 20 0 DHADHO COc1ccc(C)cc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000310328645 1037225467 /nfs/dbraw/zinc/22/54/67/1037225467.db2.gz ZPJAFUVTZANKST-LJQANCHMSA-N 1 3 324.468 3.615 20 0 DHADHO C[C@@H]([NH2+]CCOc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000393832526 1037233911 /nfs/dbraw/zinc/23/39/11/1037233911.db2.gz LBZXCVHUGKXOKT-UYAOXDASSA-N 1 3 324.468 3.566 20 0 DHADHO COc1ccc2cc([C@H](C)N[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2c1 ZINC000322927521 1037258668 /nfs/dbraw/zinc/25/86/68/1037258668.db2.gz NMCRZXMGRGRSFP-VCBZYWHSSA-N 1 3 312.457 3.982 20 0 DHADHO COc1ccc2cc([C@H](C)N[C@H]3CC[N@@H+](C)[C@H](C)C3)ccc2c1 ZINC000322927521 1037258676 /nfs/dbraw/zinc/25/86/76/1037258676.db2.gz NMCRZXMGRGRSFP-VCBZYWHSSA-N 1 3 312.457 3.982 20 0 DHADHO COc1ccc2cc([C@H](C)N[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2c1 ZINC000322927523 1037259099 /nfs/dbraw/zinc/25/90/99/1037259099.db2.gz NMCRZXMGRGRSFP-ZRGWGRIASA-N 1 3 312.457 3.982 20 0 DHADHO COc1ccc2cc([C@H](C)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2c1 ZINC000322927523 1037259111 /nfs/dbraw/zinc/25/91/11/1037259111.db2.gz NMCRZXMGRGRSFP-ZRGWGRIASA-N 1 3 312.457 3.982 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(C(C)C)cc32)C1 ZINC000489563301 1037490417 /nfs/dbraw/zinc/49/04/17/1037490417.db2.gz WEGSQNXCNRDWMA-LPHOPBHVSA-N 1 3 316.489 3.955 20 0 DHADHO CC(C)P(CCNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001187301755 1037617453 /nfs/dbraw/zinc/61/74/53/1037617453.db2.gz IPLRTOHCNGKXTQ-UHFFFAOYSA-N 1 3 322.433 3.777 20 0 DHADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183726764 1037704408 /nfs/dbraw/zinc/70/44/08/1037704408.db2.gz ZQLCTYGSVGJFFC-CVSAEHQPSA-N 1 3 306.416 3.818 20 0 DHADHO C[C@H](C[NH2+]C1CC(c2ccccc2Cl)C1)CN1CCCC1 ZINC000062078444 1037845054 /nfs/dbraw/zinc/84/50/54/1037845054.db2.gz RVUNMGQMELDWNN-QQFBHYJXSA-N 1 3 306.881 3.908 20 0 DHADHO CS[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001201857827 1037908269 /nfs/dbraw/zinc/90/82/69/1037908269.db2.gz SZBIRXZMZLBFQA-QZTJIDSGSA-N 1 3 310.551 3.905 20 0 DHADHO Cc1ccc(SC[C@@H](C)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000186473794 1037908921 /nfs/dbraw/zinc/90/89/21/1037908921.db2.gz CAGAGRPWPJJVMA-MRXNPFEDSA-N 1 3 306.519 3.938 20 0 DHADHO COc1ccc(Cl)cc1CNCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000916834702 1037987421 /nfs/dbraw/zinc/98/74/21/1037987421.db2.gz UYWYWARXSXEHRS-OAHLLOKOSA-N 1 3 324.896 3.950 20 0 DHADHO COc1ccc(Cl)cc1CNCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000916834702 1037987438 /nfs/dbraw/zinc/98/74/38/1037987438.db2.gz UYWYWARXSXEHRS-OAHLLOKOSA-N 1 3 324.896 3.950 20 0 DHADHO CC1(C)CC(N[C@@H]2Cc3ccc(Cl)cc3C2)CC(C)(C)[NH2+]1 ZINC000126465909 1038066242 /nfs/dbraw/zinc/06/62/42/1038066242.db2.gz IJPHUEQLNGYLJW-OAHLLOKOSA-N 1 3 306.881 3.706 20 0 DHADHO Cc1cscc1CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000494486704 1038120540 /nfs/dbraw/zinc/12/05/40/1038120540.db2.gz PEJVFXIGUWGCRT-OAHLLOKOSA-N 1 3 318.486 3.848 20 0 DHADHO CCCOc1ccc(C[NH2+]C2CCN(C(C)C)CC2)c(C)c1 ZINC000189268883 1038127493 /nfs/dbraw/zinc/12/74/93/1038127493.db2.gz VGYSBIMYLMQMAA-UHFFFAOYSA-N 1 3 304.478 3.746 20 0 DHADHO Fc1ccccc1C1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168380188 1038186280 /nfs/dbraw/zinc/18/62/80/1038186280.db2.gz PYIGIBXZLNMABC-UHFFFAOYSA-N 1 3 316.464 3.880 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1CN1CCCCC1 ZINC000775383734 1038310123 /nfs/dbraw/zinc/31/01/23/1038310123.db2.gz PGZPQEAWIPFLRD-XYJFISCASA-N 1 3 316.489 3.988 20 0 DHADHO CN(CCn1ccc2cc(Cl)ccc21)C[C@H]1CCC[N@H+](C)C1 ZINC001191174004 1038455340 /nfs/dbraw/zinc/45/53/40/1038455340.db2.gz MQUUNLRTDDDKHZ-HNNXBMFYSA-N 1 3 319.880 3.568 20 0 DHADHO CN(CCn1ccc2cc(Cl)ccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC001191174004 1038455342 /nfs/dbraw/zinc/45/53/42/1038455342.db2.gz MQUUNLRTDDDKHZ-HNNXBMFYSA-N 1 3 319.880 3.568 20 0 DHADHO C[C@H]([NH2+]CCNc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000775513304 1038604715 /nfs/dbraw/zinc/60/47/15/1038604715.db2.gz WERFHAATHNBIID-ICSRJNTNSA-N 1 3 323.484 3.599 20 0 DHADHO C[C@H]1CCN(Cc2c(F)cccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205603020 1038676665 /nfs/dbraw/zinc/67/66/65/1038676665.db2.gz MUDASNYMBGTBRO-RYUDHWBXSA-N 1 3 318.358 3.651 20 0 DHADHO C[C@@H]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205604010 1038684134 /nfs/dbraw/zinc/68/41/34/1038684134.db2.gz UDOUZTQHVCPAEO-DGCLKSJQSA-N 1 3 318.358 3.651 20 0 DHADHO C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205604841 1038692188 /nfs/dbraw/zinc/69/21/88/1038692188.db2.gz YCPFIGRTTKIMRP-YPMHNXCESA-N 1 3 301.261 3.800 20 0 DHADHO C[C@@H]1CCN(Cc2cc(F)ccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205616896 1038720509 /nfs/dbraw/zinc/72/05/09/1038720509.db2.gz HLRQCCAUOLTYCC-NEPJUHHUSA-N 1 3 318.358 3.651 20 0 DHADHO C[C@H](N[C@@H](C[NH3+])C1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000573793376 1039072847 /nfs/dbraw/zinc/07/28/47/1039072847.db2.gz IOQJROOGKXVBNO-YWZLYKJASA-N 1 3 309.457 3.917 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(Br)cc1 ZINC000020128985 182189698 /nfs/dbraw/zinc/18/96/98/182189698.db2.gz REONTDXYVADSCN-CYBMUJFWSA-N 1 3 311.267 3.586 20 0 DHADHO Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000272419442 130029102 /nfs/dbraw/zinc/02/91/02/130029102.db2.gz NDPPRECNYMVEOL-WKCHPHFGSA-N 1 3 321.468 3.675 20 0 DHADHO Clc1cccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000366661594 131399948 /nfs/dbraw/zinc/39/99/48/131399948.db2.gz DFSTWUDCDJORPA-DDBAPUKQSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1cccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000366661594 131399949 /nfs/dbraw/zinc/39/99/49/131399949.db2.gz DFSTWUDCDJORPA-DDBAPUKQSA-N 1 3 304.865 3.802 20 0 DHADHO CCCCN1CCC([NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297631889 132026325 /nfs/dbraw/zinc/02/63/25/132026325.db2.gz JIVQLJHNCOGDHV-INIZCTEOSA-N 1 3 321.896 3.967 20 0 DHADHO CCCCN1CCC([NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297631893 132026357 /nfs/dbraw/zinc/02/63/57/132026357.db2.gz JIVQLJHNCOGDHV-MRXNPFEDSA-N 1 3 321.896 3.967 20 0 DHADHO C[C@H](C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1)CN(C)C ZINC000391742477 335087530 /nfs/dbraw/zinc/08/75/30/335087530.db2.gz SJVDPAWZJVZIJH-QZTJIDSGSA-N 1 3 310.485 3.994 20 0 DHADHO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000556611570 331720248 /nfs/dbraw/zinc/72/02/48/331720248.db2.gz PYDBWXALYOHANR-FXAWDEMLSA-N 1 3 316.489 3.828 20 0 DHADHO [NH3+][C@@H]1C[C@H](NC[C@H](c2ccccc2)N2CCCC2)c2ccccc21 ZINC000261764036 332001429 /nfs/dbraw/zinc/00/14/29/332001429.db2.gz WAJHJCATJGPIFW-QHAWAJNXSA-N 1 3 321.468 3.558 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccc(-c3ccncc3)cc2)CC1 ZINC000363756954 332241249 /nfs/dbraw/zinc/24/12/49/332241249.db2.gz JAPUTTTXYFTZBJ-UHFFFAOYSA-N 1 3 309.457 3.713 20 0 DHADHO CCCCN(C)C[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000559858794 332286163 /nfs/dbraw/zinc/28/61/63/332286163.db2.gz VUWYZSRXAITMOF-SXLOBPIMSA-N 1 3 317.521 3.532 20 0 DHADHO CCC[NH+]1CCC(N[C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000560252457 332323965 /nfs/dbraw/zinc/32/39/65/332323965.db2.gz WQDYRKTWSWFXFS-OALUTQOASA-N 1 3 316.489 3.697 20 0 DHADHO CC(C)[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H](CO)C(C)C ZINC000449513003 332330420 /nfs/dbraw/zinc/33/04/20/332330420.db2.gz RCXAWSSUCIVBOZ-VQTJNVASSA-N 1 3 324.553 3.662 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Sc1ccccc1 ZINC000560525156 332351498 /nfs/dbraw/zinc/35/14/98/332351498.db2.gz XLYDWXYMYXEVNA-DDBAPUKQSA-N 1 3 304.503 3.630 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Sc1ccccc1 ZINC000560525156 332351499 /nfs/dbraw/zinc/35/14/99/332351499.db2.gz XLYDWXYMYXEVNA-DDBAPUKQSA-N 1 3 304.503 3.630 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cccc(-c3ccccn3)c2)[C@@H]2CCC[C@@H]21 ZINC000560542733 332355676 /nfs/dbraw/zinc/35/56/76/332355676.db2.gz GEPUMOKWPLLYJU-JBACZVJFSA-N 1 3 321.468 3.711 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cccc(-c3ccccn3)c2)[C@@H]2CCC[C@@H]21 ZINC000560542733 332355677 /nfs/dbraw/zinc/35/56/77/332355677.db2.gz GEPUMOKWPLLYJU-JBACZVJFSA-N 1 3 321.468 3.711 20 0 DHADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000314544477 333141716 /nfs/dbraw/zinc/14/17/16/333141716.db2.gz XZFJFWKMPHJLKZ-GFCCVEGCSA-N 1 3 318.383 3.824 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1F ZINC000119866609 333261065 /nfs/dbraw/zinc/26/10/65/333261065.db2.gz LGEFIENHKWJOGW-ZDUSSCGKSA-N 1 3 308.441 3.748 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCC1)c1cccc(Br)c1 ZINC000020128990 333280929 /nfs/dbraw/zinc/28/09/29/333280929.db2.gz GQBYUZPPSBTKCI-ZDUSSCGKSA-N 1 3 311.267 3.586 20 0 DHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCCOCc1ccccc1 ZINC000390601737 333305859 /nfs/dbraw/zinc/30/58/59/333305859.db2.gz XQAKOYWMHUSMQX-ICSRJNTNSA-N 1 3 318.505 3.884 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCC1)c1cc(Br)cs1 ZINC000193951131 333308127 /nfs/dbraw/zinc/30/81/27/333308127.db2.gz BVFBTHKOPNUFNV-NSHDSACASA-N 1 3 317.296 3.647 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000021520557 333389053 /nfs/dbraw/zinc/38/90/53/333389053.db2.gz ZMMXLHHAKZZHHC-QGZVFWFLSA-N 1 3 304.503 3.935 20 0 DHADHO CCCC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccc1 ZINC000531686973 333542746 /nfs/dbraw/zinc/54/27/46/333542746.db2.gz VQMUZTAPNHVNKK-HXUWFJFHSA-N 1 3 317.521 3.535 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000531699822 333547371 /nfs/dbraw/zinc/54/73/71/333547371.db2.gz KOSWCPQOEWEJQQ-JFIYKMOQSA-N 1 3 304.478 3.856 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)CN1CCCCC1 ZINC000069382222 333570060 /nfs/dbraw/zinc/57/00/60/333570060.db2.gz BZYUKWJWYGBCQZ-ILXRZTDVSA-N 1 3 306.416 3.819 20 0 DHADHO Cc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F ZINC000414659601 334059506 /nfs/dbraw/zinc/05/95/06/334059506.db2.gz LHGGLBIFGUMOHL-LZWOXQAQSA-N 1 3 312.379 3.573 20 0 DHADHO COc1ccccc1-c1ccc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000414666986 334062388 /nfs/dbraw/zinc/06/23/88/334062388.db2.gz XFPVTZUFKBQJHB-QFBILLFUSA-N 1 3 324.468 3.921 20 0 DHADHO COc1ccc(-c2ccccc2)cc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000414669122 334063968 /nfs/dbraw/zinc/06/39/68/334063968.db2.gz KEFBFVNHFGSCTA-DFQSSKMNSA-N 1 3 322.452 3.531 20 0 DHADHO CC(C)C[C@H](C)CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000414708193 334071974 /nfs/dbraw/zinc/07/19/74/334071974.db2.gz CNRWAFOLNHUJMC-PKOBYXMFSA-N 1 3 303.494 3.708 20 0 DHADHO C[C@@H]1C[C@H](CN(CCC(F)(F)F)Cc2ccccc2)CC[NH2+]1 ZINC000414741707 334078722 /nfs/dbraw/zinc/07/87/22/334078722.db2.gz FOMOXNNXJFIFMO-GDBMZVCRSA-N 1 3 314.395 3.829 20 0 DHADHO C[C@@H]1C[C@@H](CN2CCCC[C@@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC000414755057 334085671 /nfs/dbraw/zinc/08/56/71/334085671.db2.gz OOQXVHDYDMWARC-QWQRMKEZSA-N 1 3 308.416 3.880 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414793543 334098778 /nfs/dbraw/zinc/09/87/78/334098778.db2.gz DRMRMSGAYJMVLI-XNRPHZJLSA-N 1 3 314.395 3.744 20 0 DHADHO CC(C)[C@H]([NH3+])CNCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414800663 334101643 /nfs/dbraw/zinc/10/16/43/334101643.db2.gz SNUHTCUTVPIEPI-LJQANCHMSA-N 1 3 318.411 3.670 20 0 DHADHO Cc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc2cccnc12 ZINC000414804050 334103756 /nfs/dbraw/zinc/10/37/56/334103756.db2.gz DRFQWGXHFCWVAX-OAHLLOKOSA-N 1 3 305.425 3.853 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000414805007 334104021 /nfs/dbraw/zinc/10/40/21/334104021.db2.gz GBJZYAJBPCJQSP-LLVKDONJSA-N 1 3 324.346 3.737 20 0 DHADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(OC(F)F)c(Cl)c1 ZINC000414807828 334104204 /nfs/dbraw/zinc/10/42/04/334104204.db2.gz ROQODUCLQGWHFE-WCQYABFASA-N 1 3 318.795 3.549 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)c1ccc(C(F)(F)F)cc1 ZINC000414808349 334104984 /nfs/dbraw/zinc/10/49/84/334104984.db2.gz SFGWXTJGAASNKQ-OSAQELSMSA-N 1 3 300.368 3.526 20 0 DHADHO COc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1Cl ZINC000414811968 334105161 /nfs/dbraw/zinc/10/51/61/334105161.db2.gz QKJSQSPZUHVTDZ-LBPRGKRZSA-N 1 3 304.821 3.658 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821303 334108417 /nfs/dbraw/zinc/10/84/17/334108417.db2.gz AYBMBDFODMGZQB-YGOACVGDSA-N 1 3 312.379 3.509 20 0 DHADHO C[C@@H]([NH2+]CCCc1c(Cl)cccc1Cl)[C@@H]1CCCNC1 ZINC000414820915 334108475 /nfs/dbraw/zinc/10/84/75/334108475.db2.gz KMCUDQQDXYZIRF-CHWSQXEVSA-N 1 3 315.288 3.904 20 0 DHADHO C[C@@H](NCCCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414820915 334108476 /nfs/dbraw/zinc/10/84/76/334108476.db2.gz KMCUDQQDXYZIRF-CHWSQXEVSA-N 1 3 315.288 3.904 20 0 DHADHO C[C@@H]([NH2+]CCCc1c(Cl)cccc1Cl)[C@H]1CCCNC1 ZINC000414820916 334108519 /nfs/dbraw/zinc/10/85/19/334108519.db2.gz KMCUDQQDXYZIRF-OLZOCXBDSA-N 1 3 315.288 3.904 20 0 DHADHO C[C@@H](NCCCc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414820916 334108520 /nfs/dbraw/zinc/10/85/20/334108520.db2.gz KMCUDQQDXYZIRF-OLZOCXBDSA-N 1 3 315.288 3.904 20 0 DHADHO Clc1ccc(OC2CCCC2)c(CNCC[C@H]2CC[NH2+]C2)c1 ZINC000414830374 334110577 /nfs/dbraw/zinc/11/05/77/334110577.db2.gz LYASZJKUHFEGHA-CQSZACIVSA-N 1 3 322.880 3.751 20 0 DHADHO Fc1ccc(CNCC[C@@H]2CCC[NH2+]C2)c(Cl)c1Cl ZINC000414832611 334110977 /nfs/dbraw/zinc/11/09/77/334110977.db2.gz FGQFIZTUZAYLAH-JTQLQIEISA-N 1 3 305.224 3.612 20 0 DHADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000414835300 334111361 /nfs/dbraw/zinc/11/13/61/334111361.db2.gz IINCLLHSWIZELJ-ZYSHUDEJSA-N 1 3 304.478 3.555 20 0 DHADHO C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000414835300 334111362 /nfs/dbraw/zinc/11/13/62/334111362.db2.gz IINCLLHSWIZELJ-ZYSHUDEJSA-N 1 3 304.478 3.555 20 0 DHADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCNC1 ZINC000414854516 334127833 /nfs/dbraw/zinc/12/78/33/334127833.db2.gz LYFKHLLQNVYQLA-UKRRQHHQSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCNC1 ZINC000414854513 334127815 /nfs/dbraw/zinc/12/78/15/334127815.db2.gz LYFKHLLQNVYQLA-HIFRSBDPSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@H](NCc1ccc(-c2ccccc2)s1)[C@H]1CCC[NH2+]C1 ZINC000414858326 334131863 /nfs/dbraw/zinc/13/18/63/334131863.db2.gz RKFILMAKIAHWDX-HOCLYGCPSA-N 1 3 300.471 3.893 20 0 DHADHO C[C@@H](CC[NH3+])NC/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414901175 334164998 /nfs/dbraw/zinc/16/49/98/334164998.db2.gz WXMKTJJCJIOBAM-AFCDSYGPSA-N 1 3 310.441 3.606 20 0 DHADHO c1ccc(CC(C[NH2+][C@@H]2CCCNCC2)Cc2ccccc2)cc1 ZINC000414915399 334176842 /nfs/dbraw/zinc/17/68/42/334176842.db2.gz MNMXXKGAOYZLPU-JOCHJYFZSA-N 1 3 322.496 3.820 20 0 DHADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000293684546 334200861 /nfs/dbraw/zinc/20/08/61/334200861.db2.gz RQEMBXUKBFKWRB-NUJGCVRESA-N 1 3 316.489 3.566 20 0 DHADHO COc1ccccc1-c1ccc(C[NH2+]C2(C)CCNCC2)cc1 ZINC000414944604 334204214 /nfs/dbraw/zinc/20/42/14/334204214.db2.gz QGEQVKLIPPVMPY-UHFFFAOYSA-N 1 3 310.441 3.594 20 0 DHADHO CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000414949449 334206438 /nfs/dbraw/zinc/20/64/38/334206438.db2.gz NLEHGEQNKNNAQI-QOJCHSLYSA-N 1 3 316.489 3.840 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC000414954316 334207973 /nfs/dbraw/zinc/20/79/73/334207973.db2.gz SNSQKZZEGITUTL-COPCDDAFSA-N 1 3 322.496 3.961 20 0 DHADHO Cc1ccc(-c2ccc(C[NH2+][C@H]3CCN[C@H](C)C3)s2)cc1 ZINC000414959017 334211004 /nfs/dbraw/zinc/21/10/04/334211004.db2.gz WWHKZSLKTOYEPT-ZBFHGGJFSA-N 1 3 300.471 3.954 20 0 DHADHO CC[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414986568 334228830 /nfs/dbraw/zinc/22/88/30/334228830.db2.gz IZSKANAAYSMGDG-RRFJBIMHSA-N 1 3 300.368 3.668 20 0 DHADHO C[C@@H](CC[NH2+][C@@H]1CCCNCC1)c1cccc(C(F)(F)F)c1 ZINC000415085498 334274301 /nfs/dbraw/zinc/27/43/01/334274301.db2.gz IHQOCXNHGDTHHI-XJKSGUPXSA-N 1 3 314.395 3.931 20 0 DHADHO C[C@@H](CCN[C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415085498 334274303 /nfs/dbraw/zinc/27/43/03/334274303.db2.gz IHQOCXNHGDTHHI-XJKSGUPXSA-N 1 3 314.395 3.931 20 0 DHADHO CC[C@@H](N)C[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414994285 334233303 /nfs/dbraw/zinc/23/33/03/334233303.db2.gz UTMGYSINSZRITI-MBNRZODZSA-N 1 3 310.441 3.606 20 0 DHADHO COc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414996964 334235329 /nfs/dbraw/zinc/23/53/29/334235329.db2.gz PAXDAQVGSJGHLO-ZWNOBZJWSA-N 1 3 317.260 3.609 20 0 DHADHO C[C@@H]([NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)[C@H](C)N ZINC000415019706 334259424 /nfs/dbraw/zinc/25/94/24/334259424.db2.gz SICQWFKVCKODHT-NWDGAFQWSA-N 1 3 306.356 3.582 20 0 DHADHO COc1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000415046523 334261232 /nfs/dbraw/zinc/26/12/32/334261232.db2.gz CQMKGOINACCFJE-QGZVFWFLSA-N 1 3 318.848 3.918 20 0 DHADHO c1cncc(-c2cccc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)c1 ZINC000415056987 334261655 /nfs/dbraw/zinc/26/16/55/334261655.db2.gz STSQCKGTLXKORJ-SFTDATJTSA-N 1 3 321.468 3.713 20 0 DHADHO CCOc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1F ZINC000415055854 334261805 /nfs/dbraw/zinc/26/18/05/334261805.db2.gz PCJMWYHKOIBKIJ-SFHVURJKSA-N 1 3 316.420 3.794 20 0 DHADHO c1c2ccccc2sc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415060181 334261985 /nfs/dbraw/zinc/26/19/85/334261985.db2.gz YJHJRYFRWXLPDQ-DOTOQJQBSA-N 1 3 300.471 3.865 20 0 DHADHO CCSc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000534496901 334277844 /nfs/dbraw/zinc/27/78/44/334277844.db2.gz KVMGWOTUFHDFEJ-CABCVRRESA-N 1 3 304.503 3.934 20 0 DHADHO CCSc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000534496901 334277845 /nfs/dbraw/zinc/27/78/45/334277845.db2.gz KVMGWOTUFHDFEJ-CABCVRRESA-N 1 3 304.503 3.934 20 0 DHADHO CC(C)C[C@@H]([NH3+])CNC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415093627 334280771 /nfs/dbraw/zinc/28/07/71/334280771.db2.gz CHYFDYCODDIHRG-IUODEOHRSA-N 1 3 302.384 3.772 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415115488 334283513 /nfs/dbraw/zinc/28/35/13/334283513.db2.gz YLUGCBLTKCFPRC-GTAWCEEGSA-N 1 3 316.489 3.665 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415128858 334285480 /nfs/dbraw/zinc/28/54/80/334285480.db2.gz OJUUVVBLCXRVEH-VQIMIIECSA-N 1 3 324.468 3.779 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccccc2)CC1 ZINC000531932741 334297200 /nfs/dbraw/zinc/29/72/00/334297200.db2.gz RZBNZDYSHRHZJZ-XLIONFOSSA-N 1 3 300.490 3.862 20 0 DHADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c(OC(C)C)c1 ZINC000531992149 334366385 /nfs/dbraw/zinc/36/63/85/334366385.db2.gz JVWKFOJGAUNKJB-SOLBZPMBSA-N 1 3 304.478 3.601 20 0 DHADHO CCCC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccccc1 ZINC000343935191 335203089 /nfs/dbraw/zinc/20/30/89/335203089.db2.gz XVHKIFHBDSWHFN-HXUWFJFHSA-N 1 3 317.521 3.535 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)c3ncccc3c2)[C@@H](C)C1 ZINC000346221210 335385493 /nfs/dbraw/zinc/38/54/93/335385493.db2.gz OADUYJJTXFHFKQ-LPHOPBHVSA-N 1 3 311.473 3.705 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)c3ncccc3c2)[C@@H](C)C1 ZINC000346221210 335385494 /nfs/dbraw/zinc/38/54/94/335385494.db2.gz OADUYJJTXFHFKQ-LPHOPBHVSA-N 1 3 311.473 3.705 20 0 DHADHO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccccc1OCCN(C)C ZINC000532205558 335915249 /nfs/dbraw/zinc/91/52/49/335915249.db2.gz JTGHIUGNZOUWKC-QGZVFWFLSA-N 1 3 304.478 3.852 20 0 DHADHO CCN(CC)CCC[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000351470537 336036268 /nfs/dbraw/zinc/03/62/68/336036268.db2.gz CWMKJRXGYHIDOU-IBGZPJMESA-N 1 3 303.494 3.621 20 0 DHADHO CCN(CC)CCC[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000351470537 336036270 /nfs/dbraw/zinc/03/62/70/336036270.db2.gz CWMKJRXGYHIDOU-IBGZPJMESA-N 1 3 303.494 3.621 20 0 DHADHO CN1CCCC[C@H]1CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000351609480 336050000 /nfs/dbraw/zinc/05/00/00/336050000.db2.gz RURFLZFVAJFJAF-KRWDZBQOSA-N 1 3 320.452 3.543 20 0 DHADHO FC1(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000526978181 336277718 /nfs/dbraw/zinc/27/77/18/336277718.db2.gz GSTLPZPOTBHHKW-UHFFFAOYSA-N 1 3 310.844 3.644 20 0 DHADHO COc1cccc2cc([C@H](C)[NH2+]CC(C)(C)CN(C)C)oc21 ZINC000192900988 336282803 /nfs/dbraw/zinc/28/28/03/336282803.db2.gz GWCGIZSJLWZXOH-ZDUSSCGKSA-N 1 3 304.434 3.680 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000514099835 336304549 /nfs/dbraw/zinc/30/45/49/336304549.db2.gz RISBIVPGVXAXMT-COXVUDFISA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000514099835 336304550 /nfs/dbraw/zinc/30/45/50/336304550.db2.gz RISBIVPGVXAXMT-COXVUDFISA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000514099835 336304551 /nfs/dbraw/zinc/30/45/51/336304551.db2.gz RISBIVPGVXAXMT-COXVUDFISA-N 1 3 308.416 3.502 20 0 DHADHO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c2ccccc2n1 ZINC000301418256 336305432 /nfs/dbraw/zinc/30/54/32/336305432.db2.gz GQJFXBCCAFSLIY-SJORKVTESA-N 1 3 309.457 3.995 20 0 DHADHO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c2ccccc2n1 ZINC000301418256 336305433 /nfs/dbraw/zinc/30/54/33/336305433.db2.gz GQJFXBCCAFSLIY-SJORKVTESA-N 1 3 309.457 3.995 20 0 DHADHO CCCc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)c2ccccc2n1 ZINC000301795743 336330412 /nfs/dbraw/zinc/33/04/12/336330412.db2.gz PVGNNIFLTDIERK-KRWDZBQOSA-N 1 3 307.441 3.638 20 0 DHADHO CCc1c(C)nc2ccccc2c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000302037217 336344661 /nfs/dbraw/zinc/34/46/61/336344661.db2.gz MJQCBYOTCLACLX-INIZCTEOSA-N 1 3 309.457 3.780 20 0 DHADHO Cc1ccc2nccc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000302220311 336354537 /nfs/dbraw/zinc/35/45/37/336354537.db2.gz MADYMJGWAALWIA-OXJNMPFZSA-N 1 3 321.468 3.996 20 0 DHADHO Cc1ccc2nccc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000302220311 336354538 /nfs/dbraw/zinc/35/45/38/336354538.db2.gz MADYMJGWAALWIA-OXJNMPFZSA-N 1 3 321.468 3.996 20 0 DHADHO COc1ccccc1[C@@H](CNc1cc[nH+]c(C)c1)N1CCCC1 ZINC000302257259 336356250 /nfs/dbraw/zinc/35/62/50/336356250.db2.gz CGJGSFQWOAWDDF-GOSISDBHSA-N 1 3 311.429 3.648 20 0 DHADHO c1nc(C2CCCC2)sc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357060316 336572190 /nfs/dbraw/zinc/57/21/90/336572190.db2.gz YIHOFCBJJWDZDU-INIZCTEOSA-N 1 3 319.518 3.622 20 0 DHADHO C[C@@H](c1cccnc1)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000360222067 336705037 /nfs/dbraw/zinc/70/50/37/336705037.db2.gz HYIWPPDSDRYADG-KRWDZBQOSA-N 1 3 301.478 3.587 20 0 DHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccc(O)cc2)CC1 ZINC000368446046 336844907 /nfs/dbraw/zinc/84/49/07/336844907.db2.gz RUXAOJUDMRVIHL-JXFKEZNVSA-N 1 3 316.489 3.567 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccc(O)cc2)CC1 ZINC000368446049 336844958 /nfs/dbraw/zinc/84/49/58/336844958.db2.gz RUXAOJUDMRVIHL-UZLBHIALSA-N 1 3 316.489 3.567 20 0 DHADHO C[N@@H+]1CCC[C@H](CNC[C@@H]2CCC(C)(C)O2)[C@H]1c1ccccc1 ZINC000375453115 337011393 /nfs/dbraw/zinc/01/13/93/337011393.db2.gz BELTXDDNWDJCHT-CEXWTWQISA-N 1 3 316.489 3.617 20 0 DHADHO C[N@H+]1CCC[C@H](CNC[C@@H]2CCC(C)(C)O2)[C@H]1c1ccccc1 ZINC000375453115 337011394 /nfs/dbraw/zinc/01/13/94/337011394.db2.gz BELTXDDNWDJCHT-CEXWTWQISA-N 1 3 316.489 3.617 20 0 DHADHO COCCC1(CN2CCC([NH2+]C3CCCC3)CC2)CCCCC1 ZINC000376281973 337030562 /nfs/dbraw/zinc/03/05/62/337030562.db2.gz LTIFKGGLZAHXQM-UHFFFAOYSA-N 1 3 322.537 3.970 20 0 DHADHO C[N@H+]([C@H]1CCc2ccccc21)C1CCN(c2ccncc2)CC1 ZINC000377690833 337058492 /nfs/dbraw/zinc/05/84/92/337058492.db2.gz GSSSIGWYUYFYDY-FQEVSTJZSA-N 1 3 307.441 3.670 20 0 DHADHO C[N@@H+]([C@H]1CCc2ccccc21)C1CCN(c2ccncc2)CC1 ZINC000377690833 337058493 /nfs/dbraw/zinc/05/84/93/337058493.db2.gz GSSSIGWYUYFYDY-FQEVSTJZSA-N 1 3 307.441 3.670 20 0 DHADHO C[C@H](C[N@H+](C)C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000377696770 337058716 /nfs/dbraw/zinc/05/87/16/337058716.db2.gz NLTDBUCXPXZXQG-QGZVFWFLSA-N 1 3 309.457 3.786 20 0 DHADHO C[C@H](C[N@@H+](C)C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000377696770 337058717 /nfs/dbraw/zinc/05/87/17/337058717.db2.gz NLTDBUCXPXZXQG-QGZVFWFLSA-N 1 3 309.457 3.786 20 0 DHADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)CCO1 ZINC000378401372 337071987 /nfs/dbraw/zinc/07/19/87/337071987.db2.gz JYDZXWCHVDWTCT-WMZOPIPTSA-N 1 3 308.510 3.577 20 0 DHADHO CSC1(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CCC1 ZINC000193803243 337080293 /nfs/dbraw/zinc/08/02/93/337080293.db2.gz PZFKAPVTNPOOQY-OAHLLOKOSA-N 1 3 322.518 3.563 20 0 DHADHO CCC[NH+]1CCC(CN[C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182062107 337186025 /nfs/dbraw/zinc/18/60/25/337186025.db2.gz RSNWNFBTPILMJH-SFHVURJKSA-N 1 3 320.452 3.751 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CC3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC000185522203 337248823 /nfs/dbraw/zinc/24/88/23/337248823.db2.gz PMQJIQGPYVJRPV-KNIAUWFNSA-N 1 3 318.427 3.771 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CC3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC000185522203 337248824 /nfs/dbraw/zinc/24/88/24/337248824.db2.gz PMQJIQGPYVJRPV-KNIAUWFNSA-N 1 3 318.427 3.771 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cccc(-c3cccnc3)c2)[C@H]2CCC[C@H]21 ZINC000583220735 337277616 /nfs/dbraw/zinc/27/76/16/337277616.db2.gz VAVKAZGOHUCAKB-QHAWAJNXSA-N 1 3 321.468 3.711 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cccc(-c3cccnc3)c2)[C@H]2CCC[C@H]21 ZINC000583220735 337277617 /nfs/dbraw/zinc/27/76/17/337277617.db2.gz VAVKAZGOHUCAKB-QHAWAJNXSA-N 1 3 321.468 3.711 20 0 DHADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCCN1CCCC1 ZINC000583233152 337281450 /nfs/dbraw/zinc/28/14/50/337281450.db2.gz WLQZAWOCZOMBJS-SQFISAMPSA-N 1 3 324.415 3.767 20 0 DHADHO CN(Cc1cccnc1)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726038 337386665 /nfs/dbraw/zinc/38/66/65/337386665.db2.gz ULNRZGOYRHBFND-UHFFFAOYSA-N 1 3 323.484 3.816 20 0 DHADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CC12CCSCC2 ZINC000421371931 337533292 /nfs/dbraw/zinc/53/32/92/337533292.db2.gz FECDMLZEAYDEIA-INIZCTEOSA-N 1 3 322.562 3.906 20 0 DHADHO Cc1[nH]c2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2c1C ZINC000422724569 337684074 /nfs/dbraw/zinc/68/40/74/337684074.db2.gz WAWRFNOWDCSLQV-QXAKKESOSA-N 1 3 311.473 3.795 20 0 DHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422724518 337684093 /nfs/dbraw/zinc/68/40/93/337684093.db2.gz VWSUUVNUDKXBPG-ZBFHGGJFSA-N 1 3 314.395 3.745 20 0 DHADHO CC(C)Oc1ccc(CC[C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422725006 337684220 /nfs/dbraw/zinc/68/42/20/337684220.db2.gz XHEWXFTZXKHTCT-UBLGTCEWSA-N 1 3 316.489 3.668 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(c2ccccc2)CC1 ZINC000422728791 337684423 /nfs/dbraw/zinc/68/44/23/337684423.db2.gz ARXLEFLPAMUAGM-IEBWSBKVSA-N 1 3 315.505 3.556 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(COc2ccccc2)c1 ZINC000422737454 337684484 /nfs/dbraw/zinc/68/44/84/337684484.db2.gz ZMYNEVPDDSROGO-DYESRHJHSA-N 1 3 324.468 3.743 20 0 DHADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772410 337685809 /nfs/dbraw/zinc/68/58/09/337685809.db2.gz YHZCYICHDMIJSB-JOQOYGCGSA-N 1 3 314.454 3.655 20 0 DHADHO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422769684 337685814 /nfs/dbraw/zinc/68/58/14/337685814.db2.gz WAJVWABBAYROTD-UJWQCDCRSA-N 1 3 322.537 3.728 20 0 DHADHO COc1ccc([C@H](C)CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422775854 337686080 /nfs/dbraw/zinc/68/60/80/337686080.db2.gz BMPHTXRIZMEYOP-XWPNQZOQSA-N 1 3 316.489 3.699 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)Sc1ccccc1 ZINC000422794934 337687068 /nfs/dbraw/zinc/68/70/68/337687068.db2.gz UUOITSYNUDOOBL-UONOGXRCSA-N 1 3 315.486 3.680 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCc2ccccc21 ZINC000422810179 337687700 /nfs/dbraw/zinc/68/77/00/337687700.db2.gz SZRSCKCYFUDRSQ-WMLDXEAASA-N 1 3 309.457 3.619 20 0 DHADHO C[C@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)C1CNC1 ZINC000422890937 337690324 /nfs/dbraw/zinc/69/03/24/337690324.db2.gz JOYQATIIBMOZHX-SFHVURJKSA-N 1 3 322.496 3.818 20 0 DHADHO CC(C)c1nc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cs1 ZINC000422906031 337690716 /nfs/dbraw/zinc/69/07/16/337690716.db2.gz TZCIGCROPVNPBL-IXDOHACOSA-N 1 3 321.534 3.709 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1nc(C2CCCCC2)cs1 ZINC000422912785 337691042 /nfs/dbraw/zinc/69/10/42/337691042.db2.gz OASTUACGIBLRKV-ZBFHGGJFSA-N 1 3 321.534 3.711 20 0 DHADHO COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422939505 337692582 /nfs/dbraw/zinc/69/25/82/337692582.db2.gz FXBFPSBEKQWSEX-OAGGEKHMSA-N 1 3 322.518 3.531 20 0 DHADHO c1c2ccccc2sc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422900766 337693193 /nfs/dbraw/zinc/69/31/93/337693193.db2.gz JYPIGXYPABRECS-GVDBMIGSSA-N 1 3 300.471 3.912 20 0 DHADHO C[C@@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422984428 337693706 /nfs/dbraw/zinc/69/37/06/337693706.db2.gz AWEZKFFLFTYVMU-ZTNFWEORSA-N 1 3 308.425 3.593 20 0 DHADHO C[C@@H]([NH3+])C[C@@H](C)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422957294 337694904 /nfs/dbraw/zinc/69/49/04/337694904.db2.gz NCUYXMXCFSITKY-VXGBXAGGSA-N 1 3 300.368 3.800 20 0 DHADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000423030882 337696420 /nfs/dbraw/zinc/69/64/20/337696420.db2.gz KBOZVNTUXZDYDO-XOQVMUHJSA-N 1 3 304.453 3.830 20 0 DHADHO CCC(CC)[C@@H]1C[C@H](N[C@H](C)C[C@H]2CCCCC[NH2+]2)CCO1 ZINC000423036595 337696727 /nfs/dbraw/zinc/69/67/27/337696727.db2.gz ARKVTNQTXHOYFX-OWYHZJEWSA-N 1 3 310.526 3.871 20 0 DHADHO FC(F)(F)c1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423060057 337697686 /nfs/dbraw/zinc/69/76/86/337697686.db2.gz NHLZVYGFHMLEDW-XYPWUTKMSA-N 1 3 324.390 3.610 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092322 337699038 /nfs/dbraw/zinc/69/90/38/337699038.db2.gz BIZTVNPVRQTBHF-YEWWUXTCSA-N 1 3 313.420 3.585 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423098635 337699441 /nfs/dbraw/zinc/69/94/41/337699441.db2.gz CZYUPKLJEFZXEL-PGUXBMHVSA-N 1 3 316.367 3.752 20 0 DHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423098630 337699446 /nfs/dbraw/zinc/69/94/46/337699446.db2.gz CZLPPGYUVGWXJV-OCCSQVGLSA-N 1 3 300.899 3.831 20 0 DHADHO Fc1cccc([C@@H]2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423105709 337699692 /nfs/dbraw/zinc/69/96/92/337699692.db2.gz ZJSDTNMYZHBOLL-QDGKJQRMSA-N 1 3 316.464 3.972 20 0 DHADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423171071 337702238 /nfs/dbraw/zinc/70/22/38/337702238.db2.gz NIWCCDIISUCEFD-PBHICJAKSA-N 1 3 306.881 3.640 20 0 DHADHO Fc1cc(F)cc(CC2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423169570 337702256 /nfs/dbraw/zinc/70/22/56/337702256.db2.gz ZJGNMUJVWRKDAN-DFNIBXOVSA-N 1 3 320.427 3.502 20 0 DHADHO C[C@H]([NH3+])CCN[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423227185 337705846 /nfs/dbraw/zinc/70/58/46/337705846.db2.gz UTDNMTOFIOFHJF-GXTWGEPZSA-N 1 3 301.459 3.514 20 0 DHADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1OC(F)F ZINC000423247247 337707041 /nfs/dbraw/zinc/70/70/41/337707041.db2.gz KWAOWDXPJSQBNB-WDEREUQCSA-N 1 3 318.795 3.592 20 0 DHADHO Fc1ccc([C@@H](NCC[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423261382 337708084 /nfs/dbraw/zinc/70/80/84/337708084.db2.gz SBOZSZRQWNERAV-UZLBHIALSA-N 1 3 312.432 3.894 20 0 DHADHO Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423277525 337708930 /nfs/dbraw/zinc/70/89/30/337708930.db2.gz OJBIXCNNIHLBGT-YUTCNCBUSA-N 1 3 309.523 3.917 20 0 DHADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423292637 337710426 /nfs/dbraw/zinc/71/04/26/337710426.db2.gz NPIIAEQWHHOSRJ-SGTLLEGYSA-N 1 3 314.404 3.631 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000423293563 337710507 /nfs/dbraw/zinc/71/05/07/337710507.db2.gz RSZSYZWIEQIACV-CVEARBPZSA-N 1 3 320.440 3.743 20 0 DHADHO C[C@H](CN)C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423306830 337711329 /nfs/dbraw/zinc/71/13/29/337711329.db2.gz MBCBBHSZDFEVPX-ZLDLUXBVSA-N 1 3 300.368 3.526 20 0 DHADHO C[C@H](C[NH3+])CN[C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423308890 337711364 /nfs/dbraw/zinc/71/13/64/337711364.db2.gz PCSIOKRGALBBKN-MLGOLLRUSA-N 1 3 308.878 3.870 20 0 DHADHO [NH3+]CCCCN[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000423319395 337711863 /nfs/dbraw/zinc/71/18/63/337711863.db2.gz FDZCXCHYTWAMRI-KRWDZBQOSA-N 1 3 306.812 3.897 20 0 DHADHO COc1ccc([C@H](NCCCC[NH3+])c2ccccc2Cl)cc1 ZINC000423336101 337712802 /nfs/dbraw/zinc/71/28/02/337712802.db2.gz UQQGJGSKJQAAFQ-SFHVURJKSA-N 1 3 318.848 3.767 20 0 DHADHO C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000423400351 337715587 /nfs/dbraw/zinc/71/55/87/337715587.db2.gz QGNYGMMPQPVOLX-FIKXCTNHSA-N 1 3 316.489 3.550 20 0 DHADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CCCO2 ZINC000423406510 337715941 /nfs/dbraw/zinc/71/59/41/337715941.db2.gz YUSCVCOKHHLEJT-FQEVSTJZSA-N 1 3 322.452 3.910 20 0 DHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423394974 337718639 /nfs/dbraw/zinc/71/86/39/337718639.db2.gz ROACJQLOPZCAON-FQEVSTJZSA-N 1 3 322.452 3.811 20 0 DHADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCCNC2CC2)cc1F ZINC000423533505 337724678 /nfs/dbraw/zinc/72/46/78/337724678.db2.gz XQNYKQKUZFDQMN-WMZOPIPTSA-N 1 3 320.452 3.592 20 0 DHADHO CC[C@H](C)C[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000093079262 337911835 /nfs/dbraw/zinc/91/18/35/337911835.db2.gz BMBNELRAALVHIV-SFHVURJKSA-N 1 3 318.505 3.693 20 0 DHADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000516117414 338005678 /nfs/dbraw/zinc/00/56/78/338005678.db2.gz CSMUYCVVGLWRQE-VQTJNVASSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CC[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000516117414 338005679 /nfs/dbraw/zinc/00/56/79/338005679.db2.gz CSMUYCVVGLWRQE-VQTJNVASSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000516117415 338005706 /nfs/dbraw/zinc/00/57/06/338005706.db2.gz CSMUYCVVGLWRQE-WOJBJXKFSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CC[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000516117415 338005707 /nfs/dbraw/zinc/00/57/07/338005707.db2.gz CSMUYCVVGLWRQE-WOJBJXKFSA-N 1 3 300.490 3.769 20 0 DHADHO C[C@H]([NH3+])[C@H]1CCCN(CCCOc2ccc3ccccc3c2)C1 ZINC000430586173 338109204 /nfs/dbraw/zinc/10/92/04/338109204.db2.gz VKMNKFPNJDLXSG-LPHOPBHVSA-N 1 3 312.457 3.668 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCSCc2ccccc2)[C@H](C)C1 ZINC000430750965 338113707 /nfs/dbraw/zinc/11/37/07/338113707.db2.gz QYAJPXPKBYIGMD-SJLPKXTDSA-N 1 3 306.519 3.582 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCSCc2ccccc2)[C@H](C)C1 ZINC000430750965 338113708 /nfs/dbraw/zinc/11/37/08/338113708.db2.gz QYAJPXPKBYIGMD-SJLPKXTDSA-N 1 3 306.519 3.582 20 0 DHADHO CCC[N@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C1CCNCC1 ZINC000431098340 338122507 /nfs/dbraw/zinc/12/25/07/338122507.db2.gz CTFVSQOMYUBOFQ-UHFFFAOYSA-N 1 3 316.489 3.778 20 0 DHADHO CCC[N@@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C1CCNCC1 ZINC000431098340 338122508 /nfs/dbraw/zinc/12/25/08/338122508.db2.gz CTFVSQOMYUBOFQ-UHFFFAOYSA-N 1 3 316.489 3.778 20 0 DHADHO C[NH+]1CCC(C)(CNCc2csc(Cl)c2Cl)CC1 ZINC000432255686 338151459 /nfs/dbraw/zinc/15/14/59/338151459.db2.gz DDARXJBRWDPKKY-UHFFFAOYSA-N 1 3 307.290 3.876 20 0 DHADHO Cc1cc(C)c([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC000432404991 338154918 /nfs/dbraw/zinc/15/49/18/338154918.db2.gz GBDSVYSYWIQIDG-RTBURBONSA-N 1 3 318.505 3.763 20 0 DHADHO Cc1cc(C)c([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC000432404991 338154919 /nfs/dbraw/zinc/15/49/19/338154919.db2.gz GBDSVYSYWIQIDG-RTBURBONSA-N 1 3 318.505 3.763 20 0 DHADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432413440 338155360 /nfs/dbraw/zinc/15/53/60/338155360.db2.gz MOEYIJGXGUIWCC-AOIWGVFYSA-N 1 3 316.489 3.634 20 0 DHADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432413440 338155361 /nfs/dbraw/zinc/15/53/61/338155361.db2.gz MOEYIJGXGUIWCC-AOIWGVFYSA-N 1 3 316.489 3.634 20 0 DHADHO CC(C)(C)OC1CC(CC[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000432421941 338156030 /nfs/dbraw/zinc/15/60/30/338156030.db2.gz RDUUBSBIZOGWAZ-UHFFFAOYSA-N 1 3 310.526 3.823 20 0 DHADHO CCCc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432423843 338156096 /nfs/dbraw/zinc/15/60/96/338156096.db2.gz LJJIRPWBTHXEJU-ROUUACIJSA-N 1 3 318.505 3.791 20 0 DHADHO CCCc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432423843 338156097 /nfs/dbraw/zinc/15/60/97/338156097.db2.gz LJJIRPWBTHXEJU-ROUUACIJSA-N 1 3 318.505 3.791 20 0 DHADHO CN(C)[C@@H]1CCC[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000432793618 338168098 /nfs/dbraw/zinc/16/80/98/338168098.db2.gz PPKUUHBYFQVMDR-AABGKKOBSA-N 1 3 300.490 3.913 20 0 DHADHO CN(C)[C@@H]1CCC[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000432793618 338168099 /nfs/dbraw/zinc/16/80/99/338168099.db2.gz PPKUUHBYFQVMDR-AABGKKOBSA-N 1 3 300.490 3.913 20 0 DHADHO COc1ccccc1-c1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000435383506 338238442 /nfs/dbraw/zinc/23/84/42/338238442.db2.gz HHHMTJJVRIHQOF-KRWDZBQOSA-N 1 3 310.441 3.533 20 0 DHADHO CC(C)CN1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436225850 338262471 /nfs/dbraw/zinc/26/24/71/338262471.db2.gz GMEGRLIAULYNPB-UHFFFAOYSA-N 1 3 303.425 3.517 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436274963 338265039 /nfs/dbraw/zinc/26/50/39/338265039.db2.gz NXNZYOHNCKHSCO-ZCNNSNEGSA-N 1 3 300.490 3.719 20 0 DHADHO C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000436471095 338273314 /nfs/dbraw/zinc/27/33/14/338273314.db2.gz QWTDBJFDKVMRPM-YWZLYKJASA-N 1 3 307.441 3.574 20 0 DHADHO CSCC1CCC([NH2+]Cc2ccc(CN(C)C)cc2)CC1 ZINC000449059275 338589264 /nfs/dbraw/zinc/58/92/64/338589264.db2.gz AWVRWNFPESNVGH-UHFFFAOYSA-N 1 3 306.519 3.760 20 0 DHADHO CC(C)(C)CC(C)(C)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000449112638 338594471 /nfs/dbraw/zinc/59/44/71/338594471.db2.gz DFJSGRTXIXDOIC-UHFFFAOYSA-N 1 3 310.526 3.682 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449175982 338599388 /nfs/dbraw/zinc/59/93/88/338599388.db2.gz LLJVXGOFRIXYBY-BZSNNMDCSA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000459427941 339028684 /nfs/dbraw/zinc/02/86/84/339028684.db2.gz ALXLYAWWJATQST-UHFFFAOYSA-N 1 3 301.478 3.856 20 0 DHADHO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)[C@@H](C)C2 ZINC000459469393 339031093 /nfs/dbraw/zinc/03/10/93/339031093.db2.gz SENXVNNWYDNBQL-KKSFZXQISA-N 1 3 321.468 3.882 20 0 DHADHO C[C@@H]1CCC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1C ZINC000459537474 339034618 /nfs/dbraw/zinc/03/46/18/339034618.db2.gz YDSFFNRNFRFLED-BRWVUGGUSA-N 1 3 301.478 3.712 20 0 DHADHO c1ccc2c(c1)CC[C@H]2CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459562206 339035837 /nfs/dbraw/zinc/03/58/37/339035837.db2.gz FONRMVLQOYCARK-SFHVURJKSA-N 1 3 321.468 3.760 20 0 DHADHO CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000459670600 339042119 /nfs/dbraw/zinc/04/21/19/339042119.db2.gz UEVKDHJNDRKVHQ-UAXWRAGISA-N 1 3 310.844 3.655 20 0 DHADHO CC[N@H+]1CC[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000459670600 339042120 /nfs/dbraw/zinc/04/21/20/339042120.db2.gz UEVKDHJNDRKVHQ-UAXWRAGISA-N 1 3 310.844 3.655 20 0 DHADHO Cc1ccc(-c2ncc(CNCC[C@@H]3CCC[N@@H+](C)C3)s2)o1 ZINC000459742406 339045634 /nfs/dbraw/zinc/04/56/34/339045634.db2.gz WDQAIVGQHIDKGQ-AWEZNQCLSA-N 1 3 319.474 3.533 20 0 DHADHO Cc1ccc(-c2ncc(CNCC[C@@H]3CCC[N@H+](C)C3)s2)o1 ZINC000459742406 339045635 /nfs/dbraw/zinc/04/56/35/339045635.db2.gz WDQAIVGQHIDKGQ-AWEZNQCLSA-N 1 3 319.474 3.533 20 0 DHADHO COc1cc2ccccc2cc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459790091 339048825 /nfs/dbraw/zinc/04/88/25/339048825.db2.gz QTAKXKBDVKUBTE-INIZCTEOSA-N 1 3 312.457 3.670 20 0 DHADHO COc1cc2ccccc2cc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459790091 339048826 /nfs/dbraw/zinc/04/88/26/339048826.db2.gz QTAKXKBDVKUBTE-INIZCTEOSA-N 1 3 312.457 3.670 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000462481484 339079802 /nfs/dbraw/zinc/07/98/02/339079802.db2.gz AMIPTVFEMMAGBM-WMZOPIPTSA-N 1 3 309.457 3.772 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000462481484 339079803 /nfs/dbraw/zinc/07/98/03/339079803.db2.gz AMIPTVFEMMAGBM-WMZOPIPTSA-N 1 3 309.457 3.772 20 0 DHADHO FCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000462816452 339091568 /nfs/dbraw/zinc/09/15/68/339091568.db2.gz LOPUJZKXNDGICN-CEXWTWQISA-N 1 3 304.453 3.626 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463036517 339102370 /nfs/dbraw/zinc/10/23/70/339102370.db2.gz TZQVRHOJNHKYLF-HLLBOEOZSA-N 1 3 304.478 3.997 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463036517 339102371 /nfs/dbraw/zinc/10/23/71/339102371.db2.gz TZQVRHOJNHKYLF-HLLBOEOZSA-N 1 3 304.478 3.997 20 0 DHADHO CC1CC[NH+](C[C@@H]2CCCN(CCCC3CCOCC3)C2)CC1 ZINC000463283553 339113286 /nfs/dbraw/zinc/11/32/86/339113286.db2.gz UMLOVGFHRGGVDZ-HXUWFJFHSA-N 1 3 322.537 3.637 20 0 DHADHO CC1CCN(C[C@@H]2CCC[N@H+](CCCC3CCOCC3)C2)CC1 ZINC000463283553 339113287 /nfs/dbraw/zinc/11/32/87/339113287.db2.gz UMLOVGFHRGGVDZ-HXUWFJFHSA-N 1 3 322.537 3.637 20 0 DHADHO CC1CCN(C[C@@H]2CCC[N@@H+](CCCC3CCOCC3)C2)CC1 ZINC000463283553 339113288 /nfs/dbraw/zinc/11/32/88/339113288.db2.gz UMLOVGFHRGGVDZ-HXUWFJFHSA-N 1 3 322.537 3.637 20 0 DHADHO CCN1CCC[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000466361842 339200800 /nfs/dbraw/zinc/20/08/00/339200800.db2.gz YUXPAIBTKRMGDW-SHARSMKWSA-N 1 3 306.416 3.677 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OC(C)C)[C@@H](C)C1 ZINC000469210018 339283220 /nfs/dbraw/zinc/28/32/20/339283220.db2.gz GKWCXFJHTRIHCM-WMZOPIPTSA-N 1 3 304.478 3.602 20 0 DHADHO CCCN1CCC([N@H+](C)CCOc2cccc(Cl)c2)CC1 ZINC000470214837 339314508 /nfs/dbraw/zinc/31/45/08/339314508.db2.gz QZTMIEXXZHUHKL-UHFFFAOYSA-N 1 3 310.869 3.525 20 0 DHADHO CCCN1CCC([N@@H+](C)CCOc2cccc(Cl)c2)CC1 ZINC000470214837 339314509 /nfs/dbraw/zinc/31/45/09/339314509.db2.gz QZTMIEXXZHUHKL-UHFFFAOYSA-N 1 3 310.869 3.525 20 0 DHADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)CC1CCOCC1 ZINC000470255551 339315335 /nfs/dbraw/zinc/31/53/35/339315335.db2.gz PJCVZKIUGXZWEB-UHFFFAOYSA-N 1 3 308.510 3.580 20 0 DHADHO CCC(O)(CC)CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000471782230 339353747 /nfs/dbraw/zinc/35/37/47/339353747.db2.gz RVNFPAQWCCRTIM-AEFFLSMTSA-N 1 3 310.526 3.560 20 0 DHADHO CCC(O)(CC)CC[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000471782230 339353748 /nfs/dbraw/zinc/35/37/48/339353748.db2.gz RVNFPAQWCCRTIM-AEFFLSMTSA-N 1 3 310.526 3.560 20 0 DHADHO C[C@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)CN1CCCCC1 ZINC000474048992 339399171 /nfs/dbraw/zinc/39/91/71/339399171.db2.gz ZBMMFZJEHALSMI-HUUCEWRRSA-N 1 3 302.453 3.912 20 0 DHADHO c1ccc2c(c1)nccc2NC1CC[NH+](C2CCCCC2)CC1 ZINC000474167830 339405177 /nfs/dbraw/zinc/40/51/77/339405177.db2.gz IARWIXXQCGQORC-UHFFFAOYSA-N 1 3 309.457 3.866 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000479532545 339539697 /nfs/dbraw/zinc/53/96/97/339539697.db2.gz QBZRGRRIHNWRNG-IKGGRYGDSA-N 1 3 304.478 3.714 20 0 DHADHO CC[NH+](CC)CC1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000488405408 339779984 /nfs/dbraw/zinc/77/99/84/339779984.db2.gz APGUFUCVSGCWGW-MRXNPFEDSA-N 1 3 304.478 3.810 20 0 DHADHO C/C(=C\c1ccccc1C(F)(F)F)CNC1CC[NH+](C)CC1 ZINC000501456834 340081437 /nfs/dbraw/zinc/08/14/37/340081437.db2.gz VKQJCXIDTHDOSP-ACCUITESSA-N 1 3 312.379 3.793 20 0 DHADHO C[NH+](C)CCCC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000501784892 340088641 /nfs/dbraw/zinc/08/86/41/340088641.db2.gz JWTNMZDURKVRNP-UHFFFAOYSA-N 1 3 324.896 3.773 20 0 DHADHO Cc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)ccc1Cl ZINC000503561423 340130694 /nfs/dbraw/zinc/13/06/94/340130694.db2.gz CHFNNBBDQMNUDG-HOTGVXAUSA-N 1 3 324.896 3.627 20 0 DHADHO CC[NH+](CC)CC1CCN(C/C=C/c2ccccc2OC)CC1 ZINC000506869318 340203041 /nfs/dbraw/zinc/20/30/41/340203041.db2.gz YSIKBBAMDKATFL-CSKARUKUSA-N 1 3 316.489 3.762 20 0 DHADHO COCc1ccccc1/C=C(/C)CN1CCC(C[NH+](C)C)CC1 ZINC000507209150 340213690 /nfs/dbraw/zinc/21/36/90/340213690.db2.gz HTNFCJOQKPUEDZ-LGMDPLHJSA-N 1 3 316.489 3.510 20 0 DHADHO C1=C(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCC1 ZINC000507462619 340220734 /nfs/dbraw/zinc/22/07/34/340220734.db2.gz PIPZRXQEMMBWFT-QHAWAJNXSA-N 1 3 310.485 3.987 20 0 DHADHO CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](CN3CCC(C)CC3)C2)CCO1 ZINC000507803652 340232032 /nfs/dbraw/zinc/23/20/32/340232032.db2.gz LASZGYARDSEHOL-HSALFYBXSA-N 1 3 322.537 3.636 20 0 DHADHO CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CN3CCC(C)CC3)C2)CCO1 ZINC000507803652 340232033 /nfs/dbraw/zinc/23/20/33/340232033.db2.gz LASZGYARDSEHOL-HSALFYBXSA-N 1 3 322.537 3.636 20 0 DHADHO CC[C@@H]1C[C@H](CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCO1 ZINC000507803652 340232034 /nfs/dbraw/zinc/23/20/34/340232034.db2.gz LASZGYARDSEHOL-HSALFYBXSA-N 1 3 322.537 3.636 20 0 DHADHO CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)CC(F)(F)F ZINC000402549422 340242224 /nfs/dbraw/zinc/24/22/24/340242224.db2.gz DNHBCPBIXRXGEN-BYNSBNAKSA-N 1 3 306.416 3.865 20 0 DHADHO CN1CCC[C@H](C[N@H+](C)Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000508560556 340246519 /nfs/dbraw/zinc/24/65/19/340246519.db2.gz KUNWFTYWGHNMFH-LBPRGKRZSA-N 1 3 318.358 3.618 20 0 DHADHO CN1CCC[C@H](C[N@@H+](C)Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000508560556 340246520 /nfs/dbraw/zinc/24/65/20/340246520.db2.gz KUNWFTYWGHNMFH-LBPRGKRZSA-N 1 3 318.358 3.618 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000510648042 340304890 /nfs/dbraw/zinc/30/48/90/340304890.db2.gz DIVJKGLONDHHMI-ILXRZTDVSA-N 1 3 310.432 3.748 20 0 DHADHO CC(C)CCn1cccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000511494258 340328487 /nfs/dbraw/zinc/32/84/87/340328487.db2.gz JZHHDTVPAFFKJS-UHFFFAOYSA-N 1 3 305.510 3.698 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2sc(C)nc2C)CC1 ZINC000172805051 340342763 /nfs/dbraw/zinc/34/27/63/340342763.db2.gz FSGKFAJQCZWCQL-UHFFFAOYSA-N 1 3 309.523 3.704 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2sc(C)nc2C)CC1 ZINC000172805051 340342764 /nfs/dbraw/zinc/34/27/64/340342764.db2.gz FSGKFAJQCZWCQL-UHFFFAOYSA-N 1 3 309.523 3.704 20 0 DHADHO CCC1(CC)[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C[C@@H]1OC ZINC000512318382 340356791 /nfs/dbraw/zinc/35/67/91/340356791.db2.gz OTVRSSKTEZWGOS-RWQQGDIJSA-N 1 3 322.537 3.823 20 0 DHADHO c1coc(CC[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000512652787 340371198 /nfs/dbraw/zinc/37/11/98/340371198.db2.gz BMBHMCCCYAXUSI-TYPHKJRUSA-N 1 3 324.468 3.712 20 0 DHADHO c1coc(CCN[C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512652787 340371199 /nfs/dbraw/zinc/37/11/99/340371199.db2.gz BMBHMCCCYAXUSI-TYPHKJRUSA-N 1 3 324.468 3.712 20 0 DHADHO c1coc(CCN[C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512652787 340371200 /nfs/dbraw/zinc/37/12/00/340371200.db2.gz BMBHMCCCYAXUSI-TYPHKJRUSA-N 1 3 324.468 3.712 20 0 DHADHO CCC1(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000512964250 340385916 /nfs/dbraw/zinc/38/59/16/340385916.db2.gz NZMWRIGABBPWGS-HKUYNNGSSA-N 1 3 322.537 3.826 20 0 DHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(O)CCCCCC3)CC2)C1 ZINC000513207684 340397310 /nfs/dbraw/zinc/39/73/10/340397310.db2.gz DIOOSQYPZIONTO-PKOBYXMFSA-N 1 3 322.537 3.704 20 0 DHADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3(O)CCCCCC3)CC2)C1 ZINC000513207684 340397311 /nfs/dbraw/zinc/39/73/11/340397311.db2.gz DIOOSQYPZIONTO-PKOBYXMFSA-N 1 3 322.537 3.704 20 0 DHADHO Cc1ccc([C@H](CNc2ccnc3ccccc32)[NH+]2CCCC2)o1 ZINC000521930914 340557870 /nfs/dbraw/zinc/55/78/70/340557870.db2.gz FXGNMOHJOJYQCF-IBGZPJMESA-N 1 3 321.424 3.807 20 0 DHADHO CCCC[C@H](CC)CC[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000538851001 340857883 /nfs/dbraw/zinc/85/78/83/340857883.db2.gz ONRPXLSATSNKPR-SFHVURJKSA-N 1 3 323.569 3.741 20 0 DHADHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000539071066 340870452 /nfs/dbraw/zinc/87/04/52/340870452.db2.gz MTCGPPUOFOFADK-FHWLQOOXSA-N 1 3 318.505 3.843 20 0 DHADHO CC[C@@H](NCC1(C[NH2+][C@H](CC)C(C)(C)C)COC1)C(C)(C)C ZINC000542967467 341027471 /nfs/dbraw/zinc/02/74/71/341027471.db2.gz MSCYCBWJTWOYHW-HZPDHXFCSA-N 1 3 312.542 3.832 20 0 DHADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000543446149 341045156 /nfs/dbraw/zinc/04/51/56/341045156.db2.gz CNPCMDBASPWAFJ-QUCCMNQESA-N 1 3 302.506 3.823 20 0 DHADHO C[C@H](CC1CCCCC1)C[NH+]1CCC(OCCN(C)C)CC1 ZINC000543632224 341052286 /nfs/dbraw/zinc/05/22/86/341052286.db2.gz YBXQPINUZLDMLC-QGZVFWFLSA-N 1 3 310.526 3.636 20 0 DHADHO COc1ccc(C)cc1[C@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000544895376 341097893 /nfs/dbraw/zinc/09/78/93/341097893.db2.gz WKCQOVRFAKYDNT-INIZCTEOSA-N 1 3 304.478 3.776 20 0 DHADHO CCOc1ccccc1[C@@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000546227308 341158028 /nfs/dbraw/zinc/15/80/28/341158028.db2.gz SZAZVTUYMNKAGK-MRXNPFEDSA-N 1 3 304.478 3.858 20 0 DHADHO CCCC[C@H](CC)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000546230024 341158353 /nfs/dbraw/zinc/15/83/53/341158353.db2.gz NHNLNEQVYYEAFK-IBGZPJMESA-N 1 3 323.569 3.693 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000134152631 341207940 /nfs/dbraw/zinc/20/79/40/341207940.db2.gz MNZVWORTWZAPAN-UHFFFAOYSA-N 1 3 314.477 3.507 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000134152631 341207941 /nfs/dbraw/zinc/20/79/41/341207941.db2.gz MNZVWORTWZAPAN-UHFFFAOYSA-N 1 3 314.477 3.507 20 0 DHADHO c1cnc2ccc(CN3CCC(C[NH+]4CCCC4)CC3)cc2c1 ZINC000134208455 341209326 /nfs/dbraw/zinc/20/93/26/341209326.db2.gz REZXCMAWYXSCMF-UHFFFAOYSA-N 1 3 309.457 3.543 20 0 DHADHO C[NH+]1CCC(CCNCc2cccc(Cl)c2Cl)CC1 ZINC000134404324 341214845 /nfs/dbraw/zinc/21/48/45/341214845.db2.gz LJBQVZXMFZUEKN-UHFFFAOYSA-N 1 3 301.261 3.815 20 0 DHADHO Cc1ccccc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000078913007 341249333 /nfs/dbraw/zinc/24/93/33/341249333.db2.gz UPTFXZFNGCTYLX-UHFFFAOYSA-N 1 3 308.469 3.792 20 0 DHADHO CC1=CC[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000551309290 341338038 /nfs/dbraw/zinc/33/80/38/341338038.db2.gz QSHNEZGBCISBAY-SFHVURJKSA-N 1 3 314.473 3.748 20 0 DHADHO CCCCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000551529139 341344043 /nfs/dbraw/zinc/34/40/43/341344043.db2.gz CBNMVLFCIAVSCV-SJORKVTESA-N 1 3 304.478 3.858 20 0 DHADHO CCCCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000551529139 341344044 /nfs/dbraw/zinc/34/40/44/341344044.db2.gz CBNMVLFCIAVSCV-SJORKVTESA-N 1 3 304.478 3.858 20 0 DHADHO C[C@@H](CCN(C)C)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551536724 341344623 /nfs/dbraw/zinc/34/46/23/341344623.db2.gz RNODRVFPIBWJAQ-LBPRGKRZSA-N 1 3 323.893 3.893 20 0 DHADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCCN(C)C(C)C)cc1 ZINC000551537939 341344848 /nfs/dbraw/zinc/34/48/48/341344848.db2.gz WFTWIACSZKFBLE-ATZDWAIDSA-N 1 3 304.478 3.507 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000246896146 341358321 /nfs/dbraw/zinc/35/83/21/341358321.db2.gz FBHGLGNMEZZDME-BXWFABGCSA-N 1 3 302.462 3.535 20 0 DHADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000552046616 341364686 /nfs/dbraw/zinc/36/46/86/341364686.db2.gz MOCKPKQPKKBLRJ-AABGKKOBSA-N 1 3 300.490 3.575 20 0 DHADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2F)[C@@H](C)C1 ZINC000247979842 341371820 /nfs/dbraw/zinc/37/18/20/341371820.db2.gz MHEQHVPXHYKAQJ-BXWFABGCSA-N 1 3 322.468 3.613 20 0 DHADHO CC[NH+](CC)C[C@@H]1CCN([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387043 341376156 /nfs/dbraw/zinc/37/61/56/341376156.db2.gz OQZWNFALQDZWJC-AEFFLSMTSA-N 1 3 306.469 3.811 20 0 DHADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387043 341376157 /nfs/dbraw/zinc/37/61/57/341376157.db2.gz OQZWNFALQDZWJC-AEFFLSMTSA-N 1 3 306.469 3.811 20 0 DHADHO CCN(CC)C[C@@H]1CC[N@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387043 341376158 /nfs/dbraw/zinc/37/61/58/341376158.db2.gz OQZWNFALQDZWJC-AEFFLSMTSA-N 1 3 306.469 3.811 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000249376602 341396733 /nfs/dbraw/zinc/39/67/33/341396733.db2.gz KWIRTMCTVYZWOB-CHWSQXEVSA-N 1 3 300.368 3.698 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000249385227 341397037 /nfs/dbraw/zinc/39/70/37/341397037.db2.gz ZEUVYHUCROTTOA-OLZOCXBDSA-N 1 3 300.368 3.698 20 0 DHADHO C[C@H]([NH2+]C1CCC(c2ccc(F)cc2)CC1)[C@H]1CCCNC1 ZINC000568733452 341679897 /nfs/dbraw/zinc/67/98/97/341679897.db2.gz QAKJJJFOHAUXPV-JGWYNZBZSA-N 1 3 304.453 3.830 20 0 DHADHO C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1F ZINC000294247235 341710992 /nfs/dbraw/zinc/71/09/92/341710992.db2.gz PSCQCWHIYLQHSM-ZDUSSCGKSA-N 1 3 317.383 3.679 20 0 DHADHO CN(C)Cc1cccc(C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000577566994 341918230 /nfs/dbraw/zinc/91/82/30/341918230.db2.gz KYVXAJWIIMHMBF-UHFFFAOYSA-N 1 3 320.839 3.873 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000337282260 519771191 /nfs/dbraw/zinc/77/11/91/519771191.db2.gz IFSRYLUDAVJWLP-GOSISDBHSA-N 1 3 318.505 3.822 20 0 DHADHO CC(C)n1cc([C@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000157893362 519978592 /nfs/dbraw/zinc/97/85/92/519978592.db2.gz OQWBLGIHTHYQFU-SJORKVTESA-N 1 3 306.498 3.769 20 0 DHADHO CC(C)n1cc([C@H](C)NCCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000157893362 519978599 /nfs/dbraw/zinc/97/85/99/519978599.db2.gz OQWBLGIHTHYQFU-SJORKVTESA-N 1 3 306.498 3.769 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337340752 521008720 /nfs/dbraw/zinc/00/87/20/521008720.db2.gz PRUSWGSSVHNDOC-UYAOXDASSA-N 1 3 315.505 3.819 20 0 DHADHO CC1CC[NH+](Cc2ccc(CNCc3cccn3C)cc2)CC1 ZINC000161576799 521025960 /nfs/dbraw/zinc/02/59/60/521025960.db2.gz PSFATKFIDFGNLG-UHFFFAOYSA-N 1 3 311.473 3.547 20 0 DHADHO CCCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000154535323 521074236 /nfs/dbraw/zinc/07/42/36/521074236.db2.gz GIPYNSLRNPACGI-MAUKXSAKSA-N 1 3 317.477 3.517 20 0 DHADHO CCCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000154535323 521074239 /nfs/dbraw/zinc/07/42/39/521074239.db2.gz GIPYNSLRNPACGI-MAUKXSAKSA-N 1 3 317.477 3.517 20 0 DHADHO CCOC1CC(CC[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000365051601 521644761 /nfs/dbraw/zinc/64/47/61/521644761.db2.gz GAZZORHKXKSXIX-OYGLOCFBSA-N 1 3 322.537 3.824 20 0 DHADHO CCOC1CC(CCNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000365051601 521644765 /nfs/dbraw/zinc/64/47/65/521644765.db2.gz GAZZORHKXKSXIX-OYGLOCFBSA-N 1 3 322.537 3.824 20 0 DHADHO CCOC1CC(CC[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365051599 521644809 /nfs/dbraw/zinc/64/48/09/521644809.db2.gz GAZZORHKXKSXIX-KTLDDFEXSA-N 1 3 322.537 3.824 20 0 DHADHO CCOC1CC(CCNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365051599 521644814 /nfs/dbraw/zinc/64/48/14/521644814.db2.gz GAZZORHKXKSXIX-KTLDDFEXSA-N 1 3 322.537 3.824 20 0 DHADHO CN(CCC[NH2+]C1CCC2(CCCO2)CC1)C1CCCCC1 ZINC000364798922 522768478 /nfs/dbraw/zinc/76/84/78/522768478.db2.gz MDNPVTLTYKHOIZ-UHFFFAOYSA-N 1 3 308.510 3.722 20 0 DHADHO COc1cc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)ccc1SC ZINC000132156522 522905570 /nfs/dbraw/zinc/90/55/70/522905570.db2.gz UOJQQVWHXATFCJ-CYBMUJFWSA-N 1 3 310.507 3.656 20 0 DHADHO COCCC[NH+]1CCC(N[C@H]2CCCCc3ccccc32)CC1 ZINC000159189700 523299886 /nfs/dbraw/zinc/29/98/86/523299886.db2.gz MQFCWIYYOQIUIW-FQEVSTJZSA-N 1 3 316.489 3.545 20 0 DHADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)N1CCCCC1 ZINC000337270813 524195694 /nfs/dbraw/zinc/19/56/94/524195694.db2.gz ZZAYZURQXVBZRN-QWFCFKBJSA-N 1 3 315.505 3.962 20 0 DHADHO C[C@H](NCc1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000124300339 525456479 /nfs/dbraw/zinc/45/64/79/525456479.db2.gz FVYJCYADUPFREO-HNNXBMFYSA-N 1 3 316.420 3.617 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000129488308 525616746 /nfs/dbraw/zinc/61/67/46/525616746.db2.gz GYHVHUZPSYXEEJ-XUJVJEKNSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000129488308 525616753 /nfs/dbraw/zinc/61/67/53/525616753.db2.gz GYHVHUZPSYXEEJ-XUJVJEKNSA-N 1 3 300.368 3.839 20 0 DHADHO c1coc(-c2ncc(CNCCCCC[NH+]3CCCC3)s2)c1 ZINC000339500344 526561835 /nfs/dbraw/zinc/56/18/35/526561835.db2.gz ZWGUQYMXSCOLNX-UHFFFAOYSA-N 1 3 319.474 3.759 20 0 DHADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1nc2ccccc2n1C ZINC000119957888 535521767 /nfs/dbraw/zinc/52/17/67/535521767.db2.gz CUTBYXBJHYQNGX-HZPDHXFCSA-N 1 3 316.493 3.734 20 0 DHADHO CC[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C)c1 ZINC000286292711 535894711 /nfs/dbraw/zinc/89/47/11/535894711.db2.gz WHBSOKYWJWPDRB-XLIONFOSSA-N 1 3 316.489 3.537 20 0 DHADHO Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)s1 ZINC001167964044 1013197144 /nfs/dbraw/zinc/19/71/44/1013197144.db2.gz LUTLLEFCEMYIAA-ALOPSCKCSA-N 1 3 304.503 3.594 20 0 DHADHO Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)s1 ZINC001167964044 1013197147 /nfs/dbraw/zinc/19/71/47/1013197147.db2.gz LUTLLEFCEMYIAA-ALOPSCKCSA-N 1 3 304.503 3.594 20 0 DHADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(O)c(F)c1 ZINC000323003511 1013262118 /nfs/dbraw/zinc/26/21/18/1013262118.db2.gz LNWHQSAETMDOBT-UHFFFAOYSA-N 1 3 316.420 3.663 20 0 DHADHO CCC1([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000520269969 1013693409 /nfs/dbraw/zinc/69/34/09/1013693409.db2.gz HYXOEACQFFBVSW-AEFFLSMTSA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000280798665 1013724453 /nfs/dbraw/zinc/72/44/53/1013724453.db2.gz IGLVXHLRDLDEEK-QFBILLFUSA-N 1 3 301.478 3.633 20 0 DHADHO C[C@@H](c1cccc(Br)c1)N1CCC[C@H](CC[NH3+])C1 ZINC000070169472 1013883374 /nfs/dbraw/zinc/88/33/74/1013883374.db2.gz YTJFZQUQWXIAOQ-QWHCGFSZSA-N 1 3 311.267 3.571 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423095558 1027413260 /nfs/dbraw/zinc/41/32/60/1027413260.db2.gz FKPZFLMZYXTXOC-UKJIMTQDSA-N 1 3 301.261 3.955 20 0 DHADHO C[C@@H]1CCC(C)(C)N1CC1(C[N@@H+]2[C@H](C)CCC2(C)C)COC1 ZINC000650287728 1014176886 /nfs/dbraw/zinc/17/68/86/1014176886.db2.gz YVSHADDURBJAKV-HZPDHXFCSA-N 1 3 308.510 3.529 20 0 DHADHO C[C@@H]1CCC(C)(C)N1CC1(C[N@H+]2[C@H](C)CCC2(C)C)COC1 ZINC000650287728 1014176891 /nfs/dbraw/zinc/17/68/91/1014176891.db2.gz YVSHADDURBJAKV-HZPDHXFCSA-N 1 3 308.510 3.529 20 0 DHADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000427690481 1014516827 /nfs/dbraw/zinc/51/68/27/1014516827.db2.gz OMDLCMKSUOLSHX-WOJBJXKFSA-N 1 3 302.506 3.964 20 0 DHADHO C[C@H]([NH2+]CC1(N)CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000665249525 1014556155 /nfs/dbraw/zinc/55/61/55/1014556155.db2.gz RXQMVMWOZVLWSI-STQMWFEESA-N 1 3 303.475 3.649 20 0 DHADHO C[C@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc2n[nH]cc2c1 ZINC000581125281 1014572616 /nfs/dbraw/zinc/57/26/16/1014572616.db2.gz HGGJDNWAQKAGOI-BOUXLOLZSA-N 1 3 320.440 3.707 20 0 DHADHO C[C@H](NC(CCC(F)(F)F)CCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000665272908 1014629519 /nfs/dbraw/zinc/62/95/19/1014629519.db2.gz NHGSZIXITKVBRP-GXSJLCMTSA-N 1 3 320.321 3.770 20 0 DHADHO Clc1ccc([C@H]2CCC[C@@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000665280010 1014669279 /nfs/dbraw/zinc/66/92/79/1014669279.db2.gz RAKWBXJNIHRCTA-ONWXTNQRSA-N 1 3 304.865 3.708 20 0 DHADHO Cc1cc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)sc1Br ZINC000665281928 1014669700 /nfs/dbraw/zinc/66/97/00/1014669700.db2.gz MLDFZININIXSAH-GHMZBOCLSA-N 1 3 319.312 3.843 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2cncc(C)c2)CC1)CC(C)C ZINC000442898572 1014767753 /nfs/dbraw/zinc/76/77/53/1014767753.db2.gz JEWFVJMQKIOBLF-UHFFFAOYSA-N 1 3 317.521 3.970 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2cncc(C)c2)CC1)CC(C)C ZINC000442898572 1014767764 /nfs/dbraw/zinc/76/77/64/1014767764.db2.gz JEWFVJMQKIOBLF-UHFFFAOYSA-N 1 3 317.521 3.970 20 0 DHADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2C)C1 ZINC000442996928 1014783965 /nfs/dbraw/zinc/78/39/65/1014783965.db2.gz XMWJTZQJTDNAEG-CQSZACIVSA-N 1 3 314.395 3.835 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000442989689 1014788415 /nfs/dbraw/zinc/78/84/15/1014788415.db2.gz ITOZYPQFYPTCLN-JKSUJKDBSA-N 1 3 314.395 3.976 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474079919 1014962309 /nfs/dbraw/zinc/96/23/09/1014962309.db2.gz JMDWGCRMMHOOQS-DNVCBOLYSA-N 1 3 316.489 3.739 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474079919 1014962319 /nfs/dbraw/zinc/96/23/19/1014962319.db2.gz JMDWGCRMMHOOQS-DNVCBOLYSA-N 1 3 316.489 3.739 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000895392006 1015128002 /nfs/dbraw/zinc/12/80/02/1015128002.db2.gz JEYJMNRUIPABGA-LBPRGKRZSA-N 1 3 323.893 3.771 20 0 DHADHO Clc1cccc(CC[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000157102049 1015466184 /nfs/dbraw/zinc/46/61/84/1015466184.db2.gz MYXROMPBRVBZNX-UHFFFAOYSA-N 1 3 306.881 3.879 20 0 DHADHO Clc1cccc(CCNC2CC[NH+](C3CCCC3)CC2)c1 ZINC000157102049 1015466194 /nfs/dbraw/zinc/46/61/94/1015466194.db2.gz MYXROMPBRVBZNX-UHFFFAOYSA-N 1 3 306.881 3.879 20 0 DHADHO Cc1nn(C(C)C)c(C)c1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000891746388 1015585251 /nfs/dbraw/zinc/58/52/51/1015585251.db2.gz UMMHKMXRDPXRNT-UHFFFAOYSA-N 1 3 320.525 3.633 20 0 DHADHO Cc1nn(C(C)C)c(C)c1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000891746388 1015585263 /nfs/dbraw/zinc/58/52/63/1015585263.db2.gz UMMHKMXRDPXRNT-UHFFFAOYSA-N 1 3 320.525 3.633 20 0 DHADHO CC[NH+]1CCC(NCCc2nc(C3CCCCC3)cs2)CC1 ZINC000341688723 1015673364 /nfs/dbraw/zinc/67/33/64/1015673364.db2.gz JVGYCSRVLMMCOH-UHFFFAOYSA-N 1 3 321.534 3.807 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000341695210 1015674970 /nfs/dbraw/zinc/67/49/70/1015674970.db2.gz JZBJATRPXVSYFO-DNVCBOLYSA-N 1 3 304.453 3.913 20 0 DHADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341756080 1015722316 /nfs/dbraw/zinc/72/23/16/1015722316.db2.gz BYQJVJNOOIENDA-OAHLLOKOSA-N 1 3 310.869 3.731 20 0 DHADHO CN(C)[C@@H]1CCC[N@H+](CCCCCOc2ccccc2)CC1 ZINC000277500072 1016448198 /nfs/dbraw/zinc/44/81/98/1016448198.db2.gz NWGBTSYIQTUNGG-GOSISDBHSA-N 1 3 304.478 3.652 20 0 DHADHO CN(C)[C@@H]1CCC[N@@H+](CCCCCOc2ccccc2)CC1 ZINC000277500072 1016448200 /nfs/dbraw/zinc/44/82/00/1016448200.db2.gz NWGBTSYIQTUNGG-GOSISDBHSA-N 1 3 304.478 3.652 20 0 DHADHO Cc1cnccc1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000582162205 1016459252 /nfs/dbraw/zinc/45/92/52/1016459252.db2.gz VONZVEUJMLUESB-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1cnccc1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000582162205 1016459284 /nfs/dbraw/zinc/45/92/84/1016459284.db2.gz VONZVEUJMLUESB-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO c1c2ccncc2sc1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000657386451 1016563575 /nfs/dbraw/zinc/56/35/75/1016563575.db2.gz GMAARCULIPTGLX-UHFFFAOYSA-N 1 3 315.486 3.793 20 0 DHADHO CCCN1CCC([N@H+](C)Cc2ccc(OC(C)C)cc2)CC1 ZINC000171940353 1016619435 /nfs/dbraw/zinc/61/94/35/1016619435.db2.gz BGNYXGQBOKLDEY-UHFFFAOYSA-N 1 3 304.478 3.780 20 0 DHADHO CCCN1CCC([N@@H+](C)Cc2ccc(OC(C)C)cc2)CC1 ZINC000171940353 1016619443 /nfs/dbraw/zinc/61/94/43/1016619443.db2.gz BGNYXGQBOKLDEY-UHFFFAOYSA-N 1 3 304.478 3.780 20 0 DHADHO [NH3+]C[C@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000347041409 1016709160 /nfs/dbraw/zinc/70/91/60/1016709160.db2.gz KULGLQXGAALTOD-CYBMUJFWSA-N 1 3 304.434 3.725 20 0 DHADHO Cc1ccccc1C[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)C1CC1 ZINC000671294816 1016865746 /nfs/dbraw/zinc/86/57/46/1016865746.db2.gz LHYASHJUUGTSIH-OXQOHEQNSA-N 1 3 300.490 3.638 20 0 DHADHO CN1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)CC1(C)C ZINC000623377094 1017002132 /nfs/dbraw/zinc/00/21/32/1017002132.db2.gz MPQCFXGKNIQLQI-MRXNPFEDSA-N 1 3 304.478 3.826 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(C)c1 ZINC000623440719 1017050871 /nfs/dbraw/zinc/05/08/71/1017050871.db2.gz HRMJJCKPXKVKBU-IAGOWNOFSA-N 1 3 304.478 3.615 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Oc1cccc(C)c1 ZINC000623440719 1017050880 /nfs/dbraw/zinc/05/08/80/1017050880.db2.gz HRMJJCKPXKVKBU-IAGOWNOFSA-N 1 3 304.478 3.615 20 0 DHADHO CCC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(OC)cc1 ZINC000361972744 1032178762 /nfs/dbraw/zinc/17/87/62/1032178762.db2.gz TZZWGKZZVLBWOF-LNLFQRSKSA-N 1 3 304.478 3.999 20 0 DHADHO C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+](C)C1CCNCC1 ZINC001246692379 1032201403 /nfs/dbraw/zinc/20/14/03/1032201403.db2.gz FYTRLZKJZREXIM-NSHDSACASA-N 1 3 301.261 3.608 20 0 DHADHO C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+](C)C1CCNCC1 ZINC001246692379 1032201412 /nfs/dbraw/zinc/20/14/12/1032201412.db2.gz FYTRLZKJZREXIM-NSHDSACASA-N 1 3 301.261 3.608 20 0 DHADHO C[NH+](C)C1CCC(N2Cc3ccc(Br)cc3C2)CC1 ZINC001168316431 1032226291 /nfs/dbraw/zinc/22/62/91/1032226291.db2.gz YPYCRLDEPQQMNM-UHFFFAOYSA-N 1 3 323.278 3.638 20 0 DHADHO CCC[C@@H](C(=O)c1ccccc1)N(C)C1CCC([NH+](C)C)CC1 ZINC001168331137 1032318821 /nfs/dbraw/zinc/31/88/21/1032318821.db2.gz ZVNUXRKYBQXPDI-ACBHZAAOSA-N 1 3 316.489 3.843 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000120419970 1032368030 /nfs/dbraw/zinc/36/80/30/1032368030.db2.gz OEIOZTQSWJBGNI-AWEZNQCLSA-N 1 3 312.404 3.815 20 0 DHADHO COc1ccc2cc([C@@H](C)NC[C@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000121216778 1032428248 /nfs/dbraw/zinc/42/82/48/1032428248.db2.gz KKZFOSXLKDZUCE-HZPDHXFCSA-N 1 3 312.457 3.841 20 0 DHADHO COc1ccc2cc([C@@H](C)NC[C@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000121216778 1032428251 /nfs/dbraw/zinc/42/82/51/1032428251.db2.gz KKZFOSXLKDZUCE-HZPDHXFCSA-N 1 3 312.457 3.841 20 0 DHADHO C[C@@H](CCCC[NH3+])NCc1c(Cl)cccc1OC(F)F ZINC000666937630 1032443813 /nfs/dbraw/zinc/44/38/13/1032443813.db2.gz JLAGHBRPEKXKTL-JTQLQIEISA-N 1 3 306.784 3.549 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CCCCS2)CC1 ZINC000541555112 1032580682 /nfs/dbraw/zinc/58/06/82/1032580682.db2.gz MKNAEXVBOBLZQM-KBAYOESNSA-N 1 3 310.551 3.905 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(OC(F)(F)F)cc1 ZINC000424335821 1011986812 /nfs/dbraw/zinc/98/68/12/1011986812.db2.gz PIBIWTGYHRHZBE-LERXQTSPSA-N 1 3 302.340 3.506 20 0 DHADHO CCOc1ccc([C@H](CC)[NH2+][C@@H]2CCCC[C@H]2N)cc1OCC ZINC000424375342 1012013441 /nfs/dbraw/zinc/01/34/41/1012013441.db2.gz MVCLGTJODUMVHI-IXDOHACOSA-N 1 3 320.477 3.795 20 0 DHADHO [NH3+]C[C@@H]1CC[C@H](N[C@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000643542725 1012039278 /nfs/dbraw/zinc/03/92/78/1012039278.db2.gz KDHOPVIWFDVMLW-LIVBEALHSA-N 1 3 321.424 3.634 20 0 DHADHO CC[NH+](CC)CCCN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000683141844 1012103860 /nfs/dbraw/zinc/10/38/60/1012103860.db2.gz WYIGGUGAKUKADD-PMACEKPBSA-N 1 3 318.505 3.818 20 0 DHADHO CC[NH+](CC)CCCN[C@H](C)Cc1ccc(F)cc1Cl ZINC001172854523 1033422681 /nfs/dbraw/zinc/42/26/81/1033422681.db2.gz OVIPXWCWGLGNRE-CYBMUJFWSA-N 1 3 300.849 3.732 20 0 DHADHO CCN(CC)CCC[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC001172854523 1033422694 /nfs/dbraw/zinc/42/26/94/1033422694.db2.gz OVIPXWCWGLGNRE-CYBMUJFWSA-N 1 3 300.849 3.732 20 0 DHADHO c1c(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000515232812 1012582528 /nfs/dbraw/zinc/58/25/28/1012582528.db2.gz YYKWJWPXFGUAQT-BRWVUGGUSA-N 1 3 304.503 3.637 20 0 DHADHO CCc1nc(C)c([C@H](C)NCc2cccc(C[NH+](C)C)c2)s1 ZINC000123592197 1032651461 /nfs/dbraw/zinc/65/14/61/1032651461.db2.gz ZAFVCZHBYQEJOV-ZDUSSCGKSA-N 1 3 317.502 3.926 20 0 DHADHO C[C@@H](CCC[NH3+])NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000516632347 1012805395 /nfs/dbraw/zinc/80/53/95/1012805395.db2.gz UZHGUKQPXUJKRM-NSHDSACASA-N 1 3 309.866 3.681 20 0 DHADHO FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CCCN(C3CC3)C2)C1 ZINC001280178334 1012808135 /nfs/dbraw/zinc/80/81/35/1012808135.db2.gz XPZAQIBMMBNDBW-OAHLLOKOSA-N 1 3 304.400 3.669 20 0 DHADHO FC(F)(F)CCC[N@H+]1CCC[C@@]2(CCCN(C3CC3)C2)C1 ZINC001280178334 1012808154 /nfs/dbraw/zinc/80/81/54/1012808154.db2.gz XPZAQIBMMBNDBW-OAHLLOKOSA-N 1 3 304.400 3.669 20 0 DHADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425941599 1012984461 /nfs/dbraw/zinc/98/44/61/1012984461.db2.gz CBDNLEDEVQUAJF-ZIAGYGMSSA-N 1 3 317.502 3.967 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cnc(C(C)(C)C)nc1 ZINC000342726927 1017099049 /nfs/dbraw/zinc/09/90/49/1017099049.db2.gz JROIAPHDSQXJEX-MRXNPFEDSA-N 1 3 318.509 3.518 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cnc(C(C)(C)C)nc1 ZINC000342726927 1017099057 /nfs/dbraw/zinc/09/90/57/1017099057.db2.gz JROIAPHDSQXJEX-MRXNPFEDSA-N 1 3 318.509 3.518 20 0 DHADHO C[C@@H]([NH2+]CCCCOC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000475312716 1017134552 /nfs/dbraw/zinc/13/45/52/1017134552.db2.gz MQSDPRIMUQMODR-IAGOWNOFSA-N 1 3 310.526 3.824 20 0 DHADHO C[C@H]([NH2+]CCCCOC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000475312718 1017134708 /nfs/dbraw/zinc/13/47/08/1017134708.db2.gz MQSDPRIMUQMODR-IRXDYDNUSA-N 1 3 310.526 3.824 20 0 DHADHO CC[NH+](CC)CCOC1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000075007726 1017286515 /nfs/dbraw/zinc/28/65/15/1017286515.db2.gz MMHYDWXYCLLTQR-INIZCTEOSA-N 1 3 322.468 3.710 20 0 DHADHO CSCC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716685111 1032702145 /nfs/dbraw/zinc/70/21/45/1032702145.db2.gz WZLNOWKQKAQGSP-WNHJNPCNSA-N 1 3 318.530 3.771 20 0 DHADHO CSC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716682805 1032702600 /nfs/dbraw/zinc/70/26/00/1032702600.db2.gz POLANNXOHSRLHQ-BZSNNMDCSA-N 1 3 316.514 3.525 20 0 DHADHO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716685979 1032703595 /nfs/dbraw/zinc/70/35/95/1032703595.db2.gz YSIQMEAUYNBDOL-BHNDVYRESA-N 1 3 316.514 3.523 20 0 DHADHO CC[C@@H](CSC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716684810 1032703633 /nfs/dbraw/zinc/70/36/33/1032703633.db2.gz VVWAIGTVHNHQRK-OKYOBFRVSA-N 1 3 318.530 3.771 20 0 DHADHO CCCn1cc(CN2CCC(CCC[NH+](CC)CC)CC2)cn1 ZINC000180789366 1017507019 /nfs/dbraw/zinc/50/70/19/1017507019.db2.gz GWPOKOPAFVIAKU-UHFFFAOYSA-N 1 3 320.525 3.627 20 0 DHADHO C[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1(F)F ZINC000716731668 1032706717 /nfs/dbraw/zinc/70/67/17/1032706717.db2.gz MFLAZAWFWCLGOY-MHORFTMASA-N 1 3 320.427 3.674 20 0 DHADHO C(=C/c1ccccc1)\C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657611987 1017571842 /nfs/dbraw/zinc/57/18/42/1017571842.db2.gz HMUMAEBSZCKVFL-QPJJXVBHSA-N 1 3 321.468 3.597 20 0 DHADHO CC[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613146 1017575207 /nfs/dbraw/zinc/57/52/07/1017575207.db2.gz WRMMIOKKXIIOCZ-YLJYHZDGSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613563 1017583697 /nfs/dbraw/zinc/58/36/97/1017583697.db2.gz NNAMVXHQEAVGQF-VQIMIIECSA-N 1 3 315.505 3.708 20 0 DHADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613560 1017584234 /nfs/dbraw/zinc/58/42/34/1017584234.db2.gz NNAMVXHQEAVGQF-APWZRJJASA-N 1 3 315.505 3.708 20 0 DHADHO c1cc(CN2CCC(C[NH2+]CC3CCCCCC3)CC2)ccn1 ZINC000657613763 1017585553 /nfs/dbraw/zinc/58/55/53/1017585553.db2.gz RCQBZKQXYSVOPI-UHFFFAOYSA-N 1 3 315.505 3.854 20 0 DHADHO CCC[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000624120619 1017691173 /nfs/dbraw/zinc/69/11/73/1017691173.db2.gz CNHQVSUGKCIGEN-LPHOPBHVSA-N 1 3 304.478 3.858 20 0 DHADHO CCC[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000624120619 1017691177 /nfs/dbraw/zinc/69/11/77/1017691177.db2.gz CNHQVSUGKCIGEN-LPHOPBHVSA-N 1 3 304.478 3.858 20 0 DHADHO CCC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(OC)cc1 ZINC000624120619 1017691182 /nfs/dbraw/zinc/69/11/82/1017691182.db2.gz CNHQVSUGKCIGEN-LPHOPBHVSA-N 1 3 304.478 3.858 20 0 DHADHO CCC[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000624120618 1017692889 /nfs/dbraw/zinc/69/28/89/1017692889.db2.gz CNHQVSUGKCIGEN-APWZRJJASA-N 1 3 304.478 3.858 20 0 DHADHO CCC[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000624120618 1017692896 /nfs/dbraw/zinc/69/28/96/1017692896.db2.gz CNHQVSUGKCIGEN-APWZRJJASA-N 1 3 304.478 3.858 20 0 DHADHO CCC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(OC)cc1 ZINC000624120618 1017692902 /nfs/dbraw/zinc/69/29/02/1017692902.db2.gz CNHQVSUGKCIGEN-APWZRJJASA-N 1 3 304.478 3.858 20 0 DHADHO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)ccc1SC ZINC000624121446 1017695575 /nfs/dbraw/zinc/69/55/75/1017695575.db2.gz WMWQJMVONAQILC-HUUCEWRRSA-N 1 3 322.518 3.800 20 0 DHADHO COc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCCCN(C)C3)oc21 ZINC000624122063 1017696964 /nfs/dbraw/zinc/69/69/64/1017696964.db2.gz IXYMSWZUOALDIU-LSDHHAIUSA-N 1 3 316.445 3.824 20 0 DHADHO CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624122627 1017697006 /nfs/dbraw/zinc/69/70/06/1017697006.db2.gz XACLEWUHLNZWSJ-JKSUJKDBSA-N 1 3 306.519 3.661 20 0 DHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624123712 1017697063 /nfs/dbraw/zinc/69/70/63/1017697063.db2.gz RIQNIYODWGXEAX-XAMWDVODSA-N 1 3 316.489 3.509 20 0 DHADHO C[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1ccccc1 ZINC000182067703 1017858951 /nfs/dbraw/zinc/85/89/51/1017858951.db2.gz LPDIDJDIGUYQLI-QGZVFWFLSA-N 1 3 300.490 3.862 20 0 DHADHO CC(C)C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccccn1 ZINC000183952996 1018050029 /nfs/dbraw/zinc/05/00/29/1018050029.db2.gz MFCOOIMFCDHUND-GOSISDBHSA-N 1 3 303.494 3.880 20 0 DHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3ccn(C)c3)cc2)C1 ZINC000123258643 1018057727 /nfs/dbraw/zinc/05/77/27/1018057727.db2.gz KPEBFTGANUSJCZ-KRWDZBQOSA-N 1 3 311.473 3.547 20 0 DHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3ccn(C)c3)cc2)C1 ZINC000123258643 1018057744 /nfs/dbraw/zinc/05/77/44/1018057744.db2.gz KPEBFTGANUSJCZ-KRWDZBQOSA-N 1 3 311.473 3.547 20 0 DHADHO Cc1ccc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000154003283 1018093241 /nfs/dbraw/zinc/09/32/41/1018093241.db2.gz BHXJBTOCWKUKBS-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1ccc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000154003283 1018093255 /nfs/dbraw/zinc/09/32/55/1018093255.db2.gz BHXJBTOCWKUKBS-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO C[C@@H]([NH2+]CCCOc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185690785 1018125893 /nfs/dbraw/zinc/12/58/93/1018125893.db2.gz CULLDHBCOPNQDO-MSOLQXFVSA-N 1 3 316.489 3.698 20 0 DHADHO CN(C)CC1(C[NH2+][C@@H]2CCCNc3ccccc32)CCCC1 ZINC000193287523 1018138859 /nfs/dbraw/zinc/13/88/59/1018138859.db2.gz RSOZMERCMHTNIS-GOSISDBHSA-N 1 3 301.478 3.645 20 0 DHADHO C[NH+](C)CC1(CN[C@@H]2CCCNc3ccccc32)CCCC1 ZINC000193287523 1018138867 /nfs/dbraw/zinc/13/88/67/1018138867.db2.gz RSOZMERCMHTNIS-GOSISDBHSA-N 1 3 301.478 3.645 20 0 DHADHO C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380299062 1018140707 /nfs/dbraw/zinc/14/07/07/1018140707.db2.gz HKCOPYWDOGJOBF-UPJWGTAASA-N 1 3 313.272 3.986 20 0 DHADHO CCCNc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000193357758 1018141170 /nfs/dbraw/zinc/14/11/70/1018141170.db2.gz WCRGTLAWABTTFE-UHFFFAOYSA-N 1 3 303.494 3.861 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(SC(F)(F)F)cc2)C1 ZINC000841054951 1018152154 /nfs/dbraw/zinc/15/21/54/1018152154.db2.gz IFMXZPBZTOQWOR-RYUDHWBXSA-N 1 3 304.381 3.658 20 0 DHADHO Cc1cccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000380945275 1018214570 /nfs/dbraw/zinc/21/45/70/1018214570.db2.gz OKWNLNAPMAWFFC-FQEVSTJZSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1cccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000380945275 1018214576 /nfs/dbraw/zinc/21/45/76/1018214576.db2.gz OKWNLNAPMAWFFC-FQEVSTJZSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1cc(C[N@@H+](C)CC[C@H]2CCCCN2C)c2ccccc2n1 ZINC000525272115 1018218337 /nfs/dbraw/zinc/21/83/37/1018218337.db2.gz JBJKNWXKBSVWHV-GOSISDBHSA-N 1 3 311.473 3.849 20 0 DHADHO Cc1cc(C[N@H+](C)CC[C@H]2CCCCN2C)c2ccccc2n1 ZINC000525272115 1018218347 /nfs/dbraw/zinc/21/83/47/1018218347.db2.gz JBJKNWXKBSVWHV-GOSISDBHSA-N 1 3 311.473 3.849 20 0 DHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCOC(C)(C)C)CC1 ZINC000658184012 1018223707 /nfs/dbraw/zinc/22/37/07/1018223707.db2.gz HAIUSXVXPPTFIZ-FUHWJXTLSA-N 1 3 310.526 3.824 20 0 DHADHO Clc1cccc(Cl)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000446886699 1018289329 /nfs/dbraw/zinc/28/93/29/1018289329.db2.gz IYIGTBMXLREUHM-UHFFFAOYSA-N 1 3 313.272 3.957 20 0 DHADHO C/C(=C/c1ccccc1)C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000525484850 1018302331 /nfs/dbraw/zinc/30/23/31/1018302331.db2.gz UORHHANKWSGQFX-GWVOEYNXSA-N 1 3 316.489 3.569 20 0 DHADHO c1coc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000447519304 1018403240 /nfs/dbraw/zinc/40/32/40/1018403240.db2.gz GMPDLEZNAOQIST-LDLYASANSA-N 1 3 310.441 3.607 20 0 DHADHO c1coc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000447519304 1018403248 /nfs/dbraw/zinc/40/32/48/1018403248.db2.gz GMPDLEZNAOQIST-LDLYASANSA-N 1 3 310.441 3.607 20 0 DHADHO C[NH+](C)CC1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000447797629 1018473987 /nfs/dbraw/zinc/47/39/87/1018473987.db2.gz LUQVTOMKVKKUSA-UHFFFAOYSA-N 1 3 312.860 3.685 20 0 DHADHO Cc1ccc(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)nc1 ZINC000675552408 1018524114 /nfs/dbraw/zinc/52/41/14/1018524114.db2.gz DKKPALFRLLDKCU-WGMWDUQUSA-N 1 3 323.484 3.636 20 0 DHADHO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000583564431 1018564684 /nfs/dbraw/zinc/56/46/84/1018564684.db2.gz QDBDMGWFIGIGMN-LJDSDSDDSA-N 1 3 316.464 3.767 20 0 DHADHO COc1ccc2cc([C@H](C)N[C@H](C)CC[NH+](C)C)ccc2c1 ZINC000315399597 1032776041 /nfs/dbraw/zinc/77/60/41/1032776041.db2.gz UYBFYPLACAZCFI-CABCVRRESA-N 1 3 300.446 3.839 20 0 DHADHO C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000675880228 1018622606 /nfs/dbraw/zinc/62/26/06/1018622606.db2.gz CIVWQUJNPZFRCD-KBXCAEBGSA-N 1 3 322.880 3.634 20 0 DHADHO c1cc2cccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2s1 ZINC000650740834 1018630486 /nfs/dbraw/zinc/63/04/86/1018630486.db2.gz SGXHLYOCUJCYAM-GVDBMIGSSA-N 1 3 300.471 3.912 20 0 DHADHO C[C@H](C[N@@H+]1CCCN(c2ccncc2)CC1)C1CCCCC1 ZINC001171554683 1032776366 /nfs/dbraw/zinc/77/63/66/1032776366.db2.gz NFAQYCJMKXWATQ-QGZVFWFLSA-N 1 3 301.478 3.810 20 0 DHADHO C[C@H](C[N@H+]1CCCN(c2ccncc2)CC1)C1CCCCC1 ZINC001171554683 1032776382 /nfs/dbraw/zinc/77/63/82/1032776382.db2.gz NFAQYCJMKXWATQ-QGZVFWFLSA-N 1 3 301.478 3.810 20 0 DHADHO [NH3+]CC1([C@@H]2CCCCN2CC[C@@H]2CC2(Cl)Cl)CCC1 ZINC000903811192 1018763281 /nfs/dbraw/zinc/76/32/81/1018763281.db2.gz JNQIKUZVRYQACW-OLZOCXBDSA-N 1 3 305.293 3.554 20 0 DHADHO CN1C(C)(C)CC([NH2+]CC(C)(C)Cc2cccnc2)CC1(C)C ZINC001171630272 1032794796 /nfs/dbraw/zinc/79/47/96/1032794796.db2.gz KLBKRQONKFRNPO-UHFFFAOYSA-N 1 3 317.521 3.891 20 0 DHADHO CC(C)CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000584080626 1018930308 /nfs/dbraw/zinc/93/03/08/1018930308.db2.gz KUTYOYQDHNVAHL-YLJYHZDGSA-N 1 3 318.505 3.884 20 0 DHADHO CC(C)CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000584080626 1018930319 /nfs/dbraw/zinc/93/03/19/1018930319.db2.gz KUTYOYQDHNVAHL-YLJYHZDGSA-N 1 3 318.505 3.884 20 0 DHADHO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171624120 1032808666 /nfs/dbraw/zinc/80/86/66/1032808666.db2.gz NDUUNMOBKALREI-OAHLLOKOSA-N 1 3 318.505 3.954 20 0 DHADHO C[C@@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1CCC(F)(F)CC1 ZINC000635003878 1019119539 /nfs/dbraw/zinc/11/95/39/1019119539.db2.gz BPERHHQPCCLLOG-RHSMWYFYSA-N 1 3 310.432 3.750 20 0 DHADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCCCOc2ccccc2)C1 ZINC000081635648 1019222843 /nfs/dbraw/zinc/22/28/43/1019222843.db2.gz XNRSOJNEKXUKCK-LJQANCHMSA-N 1 3 316.489 3.509 20 0 DHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCCCOc2ccccc2)C1 ZINC000081635648 1019222852 /nfs/dbraw/zinc/22/28/52/1019222852.db2.gz XNRSOJNEKXUKCK-LJQANCHMSA-N 1 3 316.489 3.509 20 0 DHADHO CC(C)[C@H]1OCCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090218292 1019384820 /nfs/dbraw/zinc/38/48/20/1019384820.db2.gz NIIOQUMNZYDOSD-FXAWDEMLSA-N 1 3 322.537 3.824 20 0 DHADHO COc1ccc(-c2ccc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)cc1 ZINC000090115114 1019400442 /nfs/dbraw/zinc/40/04/42/1019400442.db2.gz PUHSVSCOZDAJAA-KKSFZXQISA-N 1 3 324.468 3.792 20 0 DHADHO COc1ccc(-c2ccc(CN[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)cc1 ZINC000090115114 1019400448 /nfs/dbraw/zinc/40/04/48/1019400448.db2.gz PUHSVSCOZDAJAA-KKSFZXQISA-N 1 3 324.468 3.792 20 0 DHADHO C[NH+]1C(C)(C)CC(N2CCC[C@H]2c2ccccn2)CC1(C)C ZINC001171638151 1032836086 /nfs/dbraw/zinc/83/60/86/1032836086.db2.gz UNRGCWMILUWJIU-KRWDZBQOSA-N 1 3 301.478 3.870 20 0 DHADHO Oc1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000107801032 1019563498 /nfs/dbraw/zinc/56/34/98/1019563498.db2.gz AGIUAXGKHCQRCJ-UHFFFAOYSA-N 1 3 310.441 3.668 20 0 DHADHO CCCOCc1ccccc1C[NH2+]C1CCN(CCC)CC1 ZINC000163641331 1019596363 /nfs/dbraw/zinc/59/63/63/1019596363.db2.gz PSVFKLYVPOKESQ-UHFFFAOYSA-N 1 3 304.478 3.577 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(O)c1 ZINC000685429102 1019816748 /nfs/dbraw/zinc/81/67/48/1019816748.db2.gz DTDJXOCQCRQDKB-FUHIMQAGSA-N 1 3 324.468 3.953 20 0 DHADHO c1ccc2cc(OCCCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000166857181 1019831633 /nfs/dbraw/zinc/83/16/33/1019831633.db2.gz WXRAVGBZGHDZSR-VQTJNVASSA-N 1 3 324.468 3.825 20 0 DHADHO c1ccc2cc(OCCCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000166857181 1019831647 /nfs/dbraw/zinc/83/16/47/1019831647.db2.gz WXRAVGBZGHDZSR-VQTJNVASSA-N 1 3 324.468 3.825 20 0 DHADHO COCC(C)(C)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000685632333 1019990075 /nfs/dbraw/zinc/99/00/75/1019990075.db2.gz ARFVOZUDLMGCBW-LJQANCHMSA-N 1 3 318.505 3.551 20 0 DHADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(C(F)F)nc1 ZINC000657974319 1020056314 /nfs/dbraw/zinc/05/63/14/1020056314.db2.gz NNKLRFULEMQUIL-CYBMUJFWSA-N 1 3 311.420 3.792 20 0 DHADHO C[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccccn1 ZINC000658061817 1020111952 /nfs/dbraw/zinc/11/19/52/1020111952.db2.gz CUQPPQQYMLBQBP-ZHALLVOQSA-N 1 3 315.505 3.818 20 0 DHADHO CC[C@H](COCC1CC1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000658091007 1020134297 /nfs/dbraw/zinc/13/42/97/1020134297.db2.gz OGQFKLZZHITHHG-POAQFYNOSA-N 1 3 322.537 3.824 20 0 DHADHO Cc1ccncc1CCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000658126242 1020175578 /nfs/dbraw/zinc/17/55/78/1020175578.db2.gz LMMYHOFQQTUFMQ-OXQOHEQNSA-N 1 3 315.505 3.565 20 0 DHADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCCC1 ZINC000658166385 1020200756 /nfs/dbraw/zinc/20/07/56/1020200756.db2.gz UTLHDZCTDKEERW-FQEVSTJZSA-N 1 3 315.505 3.852 20 0 DHADHO CCC[C@H](C)CCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000625275978 1020445046 /nfs/dbraw/zinc/44/50/46/1020445046.db2.gz KSZMKEPEDKWPQZ-IBGZPJMESA-N 1 3 323.569 3.693 20 0 DHADHO CC(C)N1CCC([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000892479555 1020456902 /nfs/dbraw/zinc/45/69/02/1020456902.db2.gz GPJPPCSEOZGLGL-UHFFFAOYSA-N 1 3 300.368 3.726 20 0 DHADHO CC[C@@H]1CN(C[C@H](C)c2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647497829 1020768302 /nfs/dbraw/zinc/76/83/02/1020768302.db2.gz WTWPNXWAYFSLEX-ZENOOKHLSA-N 1 3 314.395 3.868 20 0 DHADHO CCCCN1CCC([NH2+][C@@H]2CCc3ccc(OC)cc32)CC1 ZINC000173231535 1020905406 /nfs/dbraw/zinc/90/54/06/1020905406.db2.gz FFLYLCXKODLINZ-LJQANCHMSA-N 1 3 302.462 3.537 20 0 DHADHO C[C@@H](C[NH2+]C[C@@H]1CCCN(CC2CC2)C1)Cc1ccccc1 ZINC000668818307 1020959675 /nfs/dbraw/zinc/95/96/75/1020959675.db2.gz GIUKJKXHEZKGKR-XLIONFOSSA-N 1 3 300.490 3.577 20 0 DHADHO CC(C)[NH+]1CCC(NCC2(c3c(F)cccc3F)CCC2)CC1 ZINC000414230706 1021016904 /nfs/dbraw/zinc/01/69/04/1021016904.db2.gz GNELJZDBUOJPAD-UHFFFAOYSA-N 1 3 322.443 3.849 20 0 DHADHO CO[C@@](C)([C@H](C)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000414240583 1021024151 /nfs/dbraw/zinc/02/41/51/1021024151.db2.gz NNSCCXOROXWHFJ-FVCZOJIISA-N 1 3 322.537 3.823 20 0 DHADHO Cc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000537971954 1032967384 /nfs/dbraw/zinc/96/73/84/1032967384.db2.gz ODNGHNJMUBWZFZ-CEXWTWQISA-N 1 3 318.505 3.843 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2ccccc2)C2CC2)C[C@@H](C)O1 ZINC000091311201 1021276682 /nfs/dbraw/zinc/27/66/82/1021276682.db2.gz GZJSAOINMRYRAC-HLIPFELVSA-N 1 3 316.489 3.617 20 0 DHADHO CC(C)(C)N1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000850035783 1021399001 /nfs/dbraw/zinc/39/90/01/1021399001.db2.gz CHNMIIQFKJVOBX-UHFFFAOYSA-N 1 3 303.475 3.649 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000572546968 1021499058 /nfs/dbraw/zinc/49/90/58/1021499058.db2.gz UFNUVJYXYNNAAF-KSSFIOAISA-N 1 3 306.881 3.593 20 0 DHADHO C(C1CCCCC1)N1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000850431024 1021528205 /nfs/dbraw/zinc/52/82/05/1021528205.db2.gz RVIRYWKPEDVDOO-QGZVFWFLSA-N 1 3 310.551 3.906 20 0 DHADHO CC(C)OCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064087 1032987435 /nfs/dbraw/zinc/98/74/35/1032987435.db2.gz FNOBBIBLUBUWDH-ACDBMABISA-N 1 3 316.489 3.587 20 0 DHADHO CC(C)OCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064087 1032987443 /nfs/dbraw/zinc/98/74/43/1032987443.db2.gz FNOBBIBLUBUWDH-ACDBMABISA-N 1 3 316.489 3.587 20 0 DHADHO COc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000093336949 1021563535 /nfs/dbraw/zinc/56/35/35/1021563535.db2.gz OMSITRHPFHNUNE-HXUWFJFHSA-N 1 3 324.468 3.649 20 0 DHADHO COc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000093336949 1021563541 /nfs/dbraw/zinc/56/35/41/1021563541.db2.gz OMSITRHPFHNUNE-HXUWFJFHSA-N 1 3 324.468 3.649 20 0 DHADHO CCCCC[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850517243 1021573563 /nfs/dbraw/zinc/57/35/63/1021573563.db2.gz WZXAPLSRGGADLR-KRWDZBQOSA-N 1 3 303.494 3.852 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCSc3ccccc3C1)C2 ZINC001172131092 1032999757 /nfs/dbraw/zinc/99/97/57/1032999757.db2.gz UQWAVLOHLOPSGG-BJWYYQGGSA-N 1 3 302.487 3.610 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCSc3ccccc3C1)C2 ZINC001172131092 1032999771 /nfs/dbraw/zinc/99/97/71/1032999771.db2.gz UQWAVLOHLOPSGG-BJWYYQGGSA-N 1 3 302.487 3.610 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3c1c(F)ccc3F)C2 ZINC001172108671 1033011363 /nfs/dbraw/zinc/01/13/63/1033011363.db2.gz CWUAIRMXKJYCSJ-JRATXPSKSA-N 1 3 306.400 3.557 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccccc2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000556872482 1021915362 /nfs/dbraw/zinc/91/53/62/1021915362.db2.gz XTLNIPTVYJFLIM-CWRNSKLLSA-N 1 3 312.379 3.668 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccccc2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000556872482 1021915368 /nfs/dbraw/zinc/91/53/68/1021915368.db2.gz XTLNIPTVYJFLIM-CWRNSKLLSA-N 1 3 312.379 3.668 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000556872482 1021915381 /nfs/dbraw/zinc/91/53/81/1021915381.db2.gz XTLNIPTVYJFLIM-CWRNSKLLSA-N 1 3 312.379 3.668 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@H]2CCCc3ccc(F)cc32)[C@@H]2CCC[C@H]21 ZINC000556880758 1021922037 /nfs/dbraw/zinc/92/20/37/1021922037.db2.gz SMZZPMUQNJJISF-DSLXNQLJSA-N 1 3 302.437 3.666 20 0 DHADHO C[N@H+]1CC[C@H](N[C@H]2CCCc3ccc(F)cc32)[C@@H]2CCC[C@H]21 ZINC000556880758 1021922049 /nfs/dbraw/zinc/92/20/49/1021922049.db2.gz SMZZPMUQNJJISF-DSLXNQLJSA-N 1 3 302.437 3.666 20 0 DHADHO C[C@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001205994357 1022154264 /nfs/dbraw/zinc/15/42/64/1022154264.db2.gz LCTQNNOMGDANTN-WCQYABFASA-N 1 3 318.358 3.651 20 0 DHADHO C[C@H]1CN(Cc2cccc(Cl)c2Cl)CCC[C@H]1C[NH3+] ZINC001205996609 1022222425 /nfs/dbraw/zinc/22/24/25/1022222425.db2.gz XVBDGXFZILGABA-RYUDHWBXSA-N 1 3 301.261 3.800 20 0 DHADHO C[C@@H]1CN(Cc2cccc(Cl)c2Cl)CCC[C@H]1C[NH3+] ZINC001205996607 1022223007 /nfs/dbraw/zinc/22/30/07/1022223007.db2.gz XVBDGXFZILGABA-NEPJUHHUSA-N 1 3 301.261 3.800 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1cccc(F)c1)C1CCC1)C2 ZINC001169101307 1022246975 /nfs/dbraw/zinc/24/69/75/1022246975.db2.gz RAIKZWQIFGYREG-OKYOBFRVSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1cccc(F)c1)C1CCC1)C2 ZINC001169101307 1022246979 /nfs/dbraw/zinc/24/69/79/1022246979.db2.gz RAIKZWQIFGYREG-OKYOBFRVSA-N 1 3 302.437 3.882 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3c(F)cc(F)cc31)C2 ZINC001169125313 1022260209 /nfs/dbraw/zinc/26/02/09/1022260209.db2.gz YSUGAISKEZYFIX-ZUMXRPEOSA-N 1 3 306.400 3.557 20 0 DHADHO C[C@H]([NH3+])[C@@H](NC1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000925535723 1022260330 /nfs/dbraw/zinc/26/03/30/1022260330.db2.gz JVUOISSIUNTPIL-VYESFELBSA-N 1 3 300.368 3.786 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)c1)C2 ZINC001169109412 1022266617 /nfs/dbraw/zinc/26/66/17/1022266617.db2.gz ICFLVQZTFTXWNU-OSYLJGHBSA-N 1 3 302.462 3.579 20 0 DHADHO c1cc2ccc(CNC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000310077760 1022362111 /nfs/dbraw/zinc/36/21/11/1022362111.db2.gz HFZLBTIQBBMGOU-IBGZPJMESA-N 1 3 319.452 3.780 20 0 DHADHO c1cc2ccc(CNC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000310077760 1022362126 /nfs/dbraw/zinc/36/21/26/1022362126.db2.gz HFZLBTIQBBMGOU-IBGZPJMESA-N 1 3 319.452 3.780 20 0 DHADHO Cc1csc(CCCC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)n1 ZINC000925567820 1022533456 /nfs/dbraw/zinc/53/34/56/1022533456.db2.gz QFECUYPFYGZOKX-IAGOWNOFSA-N 1 3 321.534 3.532 20 0 DHADHO CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)CC(F)F ZINC000660256645 1022822136 /nfs/dbraw/zinc/82/21/36/1022822136.db2.gz MODKSAKMVICWSB-SOUVJXGZSA-N 1 3 302.453 3.910 20 0 DHADHO COC1(CCN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC1 ZINC000338997498 1022842481 /nfs/dbraw/zinc/84/24/81/1022842481.db2.gz NIQKNOJGVLSXIT-MSOLQXFVSA-N 1 3 308.510 3.532 20 0 DHADHO COC1(CCN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCC1 ZINC000338997498 1022842482 /nfs/dbraw/zinc/84/24/82/1022842482.db2.gz NIQKNOJGVLSXIT-MSOLQXFVSA-N 1 3 308.510 3.532 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000414908361 1022905046 /nfs/dbraw/zinc/90/50/46/1022905046.db2.gz BGVFNFUYSKTPDX-GHMZBOCLSA-N 1 3 306.759 3.718 20 0 DHADHO CCCCCOc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC ZINC000414929633 1022927364 /nfs/dbraw/zinc/92/73/64/1022927364.db2.gz RWARYYMXBKNETO-IAGOWNOFSA-N 1 3 320.477 3.624 20 0 DHADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000164806814 1022961508 /nfs/dbraw/zinc/96/15/08/1022961508.db2.gz BBOZXDYLMDXJNG-GJYPPUQNSA-N 1 3 316.489 3.826 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000089513136 1023087940 /nfs/dbraw/zinc/08/79/40/1023087940.db2.gz IIXMPWNJEICSFX-GOSISDBHSA-N 1 3 318.530 3.870 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000769872683 1023237292 /nfs/dbraw/zinc/23/72/92/1023237292.db2.gz HMCDSWKYYWZWRH-GFCCVEGCSA-N 1 3 319.424 3.597 20 0 DHADHO FC1(F)CC12CCC([NH2+][C@H]1CCNC[C@H]1C1CCCC1)CC2 ZINC000925710647 1023321434 /nfs/dbraw/zinc/32/14/34/1023321434.db2.gz XIJDIBIGKIVQEI-YZUHTNEWSA-N 1 3 312.448 3.712 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCN[C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651829496 1023578551 /nfs/dbraw/zinc/57/85/51/1023578551.db2.gz DPUUPWQHOXGLCZ-SWLSCSKDSA-N 1 3 310.844 3.788 20 0 DHADHO C[N@H+]1CCC[C@@H](CCN[C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651829496 1023578557 /nfs/dbraw/zinc/57/85/57/1023578557.db2.gz DPUUPWQHOXGLCZ-SWLSCSKDSA-N 1 3 310.844 3.788 20 0 DHADHO C[C@@H]1CC[C@H]([NH+]2CCC(N)(Cc3ccccc3)CC2)C[C@@H]1C ZINC001172368504 1033148478 /nfs/dbraw/zinc/14/84/78/1033148478.db2.gz ITPBBRJPWACPOL-AOIWGVFYSA-N 1 3 300.490 3.847 20 0 DHADHO C[C@@H]1CC[C@H]([NH+]2CCC(N)(Cc3cccc(F)c3)CC2)C[C@@H]1C ZINC001172371623 1033150811 /nfs/dbraw/zinc/15/08/11/1033150811.db2.gz VNVAUNLCICZAAG-GJYPPUQNSA-N 1 3 318.480 3.986 20 0 DHADHO C[C@H](CCN1CCC[C@@H](CCF)C1)[N@H+]1CCC[C@H](CCF)C1 ZINC000661690249 1023687789 /nfs/dbraw/zinc/68/77/89/1023687789.db2.gz KTKWRGRNJNWMNB-FGTMMUONSA-N 1 3 316.480 3.908 20 0 DHADHO C[C@H](CCN1CCC[C@@H](CCF)C1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000661690249 1023687783 /nfs/dbraw/zinc/68/77/83/1023687783.db2.gz KTKWRGRNJNWMNB-FGTMMUONSA-N 1 3 316.480 3.908 20 0 DHADHO C[C@H](CC[N@@H+]1CCC[C@@H](CCF)C1)N1CCC[C@H](CCF)C1 ZINC000661690249 1023687794 /nfs/dbraw/zinc/68/77/94/1023687794.db2.gz KTKWRGRNJNWMNB-FGTMMUONSA-N 1 3 316.480 3.908 20 0 DHADHO C[C@H](CC[N@H+]1CCC[C@@H](CCF)C1)N1CCC[C@H](CCF)C1 ZINC000661690249 1023687799 /nfs/dbraw/zinc/68/77/99/1023687799.db2.gz KTKWRGRNJNWMNB-FGTMMUONSA-N 1 3 316.480 3.908 20 0 DHADHO CCOCC[C@H](C)[NH+]1CCC(N(CC)Cc2ccccc2)CC1 ZINC001172429387 1033168013 /nfs/dbraw/zinc/16/80/13/1033168013.db2.gz XMZFYOXXTFGCOH-SFHVURJKSA-N 1 3 318.505 3.788 20 0 DHADHO COc1ccc([C@@H](C)CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000246009613 1023897131 /nfs/dbraw/zinc/89/71/31/1023897131.db2.gz YELHUESBWIOLEO-ROUUACIJSA-N 1 3 316.489 3.607 20 0 DHADHO CN(C)CC[C@H]([NH2+][C@@H]1CCc2ccc(Cl)nc21)C(C)(C)C ZINC000788602500 1023913134 /nfs/dbraw/zinc/91/31/34/1023913134.db2.gz BMPCMAHEXBAFJO-KGLIPLIRSA-N 1 3 309.885 3.678 20 0 DHADHO CCN([C@H]1CCOC1)C1CC[NH+]([C@H](C)CCCC(C)C)CC1 ZINC001170088698 1023928137 /nfs/dbraw/zinc/92/81/37/1023928137.db2.gz YCJHICADSVOAOH-MJGOQNOKSA-N 1 3 310.526 3.776 20 0 DHADHO c1ccc([C@H]2CSCCN2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662248848 1024029683 /nfs/dbraw/zinc/02/96/83/1024029683.db2.gz KXAAOWZAGYJRFZ-HXUWFJFHSA-N 1 3 324.493 3.622 20 0 DHADHO CC[C@H](CC(C)C)[NH+]1CCC(N)(Cc2ccc(OC)cc2)CC1 ZINC001172399731 1033183808 /nfs/dbraw/zinc/18/38/08/1033183808.db2.gz LKQGQMKZPQJSFI-GOSISDBHSA-N 1 3 318.505 3.856 20 0 DHADHO C[C@@H](c1cc(F)ccc1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298407 1024080407 /nfs/dbraw/zinc/08/04/07/1024080407.db2.gz WAMSEBTVXZCNJB-DZGCQCFKSA-N 1 3 308.416 3.737 20 0 DHADHO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663343814 1024171734 /nfs/dbraw/zinc/17/17/34/1024171734.db2.gz FSXMPTMLJMBDBR-HKUYNNGSSA-N 1 3 300.490 3.638 20 0 DHADHO COCCC1(C[NH2+]C[C@H]2CCCN(CC3CC3)C2)CCCCC1 ZINC000663344502 1024174315 /nfs/dbraw/zinc/17/43/15/1024174315.db2.gz UNIVBUVKTISHCO-LJQANCHMSA-N 1 3 322.537 3.685 20 0 DHADHO CC[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)CCO2 ZINC000269050404 1024230357 /nfs/dbraw/zinc/23/03/57/1024230357.db2.gz VVASOADNNNOUMA-LJQANCHMSA-N 1 3 314.473 3.679 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000453088616 1024324446 /nfs/dbraw/zinc/32/44/46/1024324446.db2.gz RJSWJCKVSNIPDM-UXLLHSPISA-N 1 3 310.507 3.678 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccncc1 ZINC000453106312 1024334827 /nfs/dbraw/zinc/33/48/27/1024334827.db2.gz IQCPGDJMIIJTNZ-CTNGQTDRSA-N 1 3 323.484 3.687 20 0 DHADHO CC1CCC(O)(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000663463535 1024394959 /nfs/dbraw/zinc/39/49/59/1024394959.db2.gz DMJWEOSKSLACRJ-OWODTTCDSA-N 1 3 322.537 3.560 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CCOCc2ccccc2)C1 ZINC000877019964 1033208271 /nfs/dbraw/zinc/20/82/71/1033208271.db2.gz IQMAPVCSRBNVQH-ICSRJNTNSA-N 1 3 318.505 3.692 20 0 DHADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000271268690 1024479595 /nfs/dbraw/zinc/47/95/95/1024479595.db2.gz AFXZIBXLQHJUKX-OWCLPIDISA-N 1 3 307.457 3.629 20 0 DHADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000271268690 1024479599 /nfs/dbraw/zinc/47/95/99/1024479599.db2.gz AFXZIBXLQHJUKX-OWCLPIDISA-N 1 3 307.457 3.629 20 0 DHADHO FCc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000791617941 1024526862 /nfs/dbraw/zinc/52/68/62/1024526862.db2.gz GSHLPNVRURGNOC-OYRHEFFESA-N 1 3 324.443 3.720 20 0 DHADHO FCc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000791617941 1024526870 /nfs/dbraw/zinc/52/68/70/1024526870.db2.gz GSHLPNVRURGNOC-OYRHEFFESA-N 1 3 324.443 3.720 20 0 DHADHO CO[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000532237008 1024586165 /nfs/dbraw/zinc/58/61/65/1024586165.db2.gz SKJYAVLCQURKBH-KRWDZBQOSA-N 1 3 324.896 3.880 20 0 DHADHO CC[N@H+](CCCN1CCCC1)Cc1cc(C)c2ncccc2c1 ZINC000349361739 1024708812 /nfs/dbraw/zinc/70/88/12/1024708812.db2.gz BWNQFFCSYGUUMZ-UHFFFAOYSA-N 1 3 311.473 3.851 20 0 DHADHO CC[N@@H+](CCCN1CCCC1)Cc1cc(C)c2ncccc2c1 ZINC000349361739 1024708823 /nfs/dbraw/zinc/70/88/23/1024708823.db2.gz BWNQFFCSYGUUMZ-UHFFFAOYSA-N 1 3 311.473 3.851 20 0 DHADHO CC[C@H]1C[C@H](N2CCC([N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC001170223697 1024709215 /nfs/dbraw/zinc/70/92/15/1024709215.db2.gz QUIBLDQBKRCKCH-UXHICEINSA-N 1 3 316.489 3.540 20 0 DHADHO CC[C@H]1C[C@H](N2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC001170223697 1024709221 /nfs/dbraw/zinc/70/92/21/1024709221.db2.gz QUIBLDQBKRCKCH-UXHICEINSA-N 1 3 316.489 3.540 20 0 DHADHO CC[C@@H]1C[C@H](N2CCC([N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC001170223701 1024710544 /nfs/dbraw/zinc/71/05/44/1024710544.db2.gz QUIBLDQBKRCKCH-WOJBJXKFSA-N 1 3 316.489 3.540 20 0 DHADHO CC[C@@H]1C[C@H](N2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC001170223701 1024710555 /nfs/dbraw/zinc/71/05/55/1024710555.db2.gz QUIBLDQBKRCKCH-WOJBJXKFSA-N 1 3 316.489 3.540 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC001170387219 1024761200 /nfs/dbraw/zinc/76/12/00/1024761200.db2.gz RTOJYCKXYFLXNT-MOPGFXCFSA-N 1 3 318.505 3.692 20 0 DHADHO CC[C@H]([NH2+]CCCN1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000319865145 1024854907 /nfs/dbraw/zinc/85/49/07/1024854907.db2.gz SEMVITBLFLKSDK-KRWDZBQOSA-N 1 3 320.477 3.621 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCSc3c(F)cccc32)[C@H]2CCC[C@H]21 ZINC000353401803 1025055317 /nfs/dbraw/zinc/05/53/17/1025055317.db2.gz IGLBROGYCGCMCV-VJUNAUMWSA-N 1 3 320.477 3.825 20 0 DHADHO C[N@H+]1CC[C@H](N[C@@H]2CCSc3c(F)cccc32)[C@H]2CCC[C@H]21 ZINC000353401803 1025055325 /nfs/dbraw/zinc/05/53/25/1025055325.db2.gz IGLBROGYCGCMCV-VJUNAUMWSA-N 1 3 320.477 3.825 20 0 DHADHO Cc1scc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1C ZINC000635024370 1025216438 /nfs/dbraw/zinc/21/64/38/1025216438.db2.gz XHSIQFCOFNUXEW-MSOLQXFVSA-N 1 3 300.471 3.948 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCOc1ccc(C(C)(C)C)cc1 ZINC000539072662 1033269166 /nfs/dbraw/zinc/26/91/66/1033269166.db2.gz PPCCTYVTUJZIGS-MDZRGWNJSA-N 1 3 318.505 3.681 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCOc1ccc(C(C)(C)C)cc1 ZINC000539072662 1033269177 /nfs/dbraw/zinc/26/91/77/1033269177.db2.gz PPCCTYVTUJZIGS-MDZRGWNJSA-N 1 3 318.505 3.681 20 0 DHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCCC(F)(F)F ZINC000282569017 1025291681 /nfs/dbraw/zinc/29/16/81/1025291681.db2.gz UZIMFEMMHKFETN-HNNXBMFYSA-N 1 3 314.395 3.829 20 0 DHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC(F)(F)F ZINC000282569017 1025291689 /nfs/dbraw/zinc/29/16/89/1025291689.db2.gz UZIMFEMMHKFETN-HNNXBMFYSA-N 1 3 314.395 3.829 20 0 DHADHO CC(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1 ZINC001204089846 1033278856 /nfs/dbraw/zinc/27/88/56/1033278856.db2.gz RQVNXPYOOMIGAI-YSIASYRMSA-N 1 3 316.489 3.541 20 0 DHADHO CCc1oc2ccccc2c1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354178126 1025376455 /nfs/dbraw/zinc/37/64/55/1025376455.db2.gz UYPJQQDWKBZNJF-HXUWFJFHSA-N 1 3 312.457 3.913 20 0 DHADHO CCc1oc2ccccc2c1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354178126 1025376463 /nfs/dbraw/zinc/37/64/63/1025376463.db2.gz UYPJQQDWKBZNJF-HXUWFJFHSA-N 1 3 312.457 3.913 20 0 DHADHO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000539094283 1033276205 /nfs/dbraw/zinc/27/62/05/1033276205.db2.gz UYHAINYUUPABIO-UGSOOPFHSA-N 1 3 304.453 3.912 20 0 DHADHO COCc1cccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924683606 1033276260 /nfs/dbraw/zinc/27/62/60/1033276260.db2.gz GHIFSXMAZUCEAT-INIZCTEOSA-N 1 3 312.457 3.745 20 0 DHADHO c1ccc([C@@H]2CCC[C@H]([NH+]3CCN(c4ccncc4)CC3)C2)cc1 ZINC001172543627 1033276354 /nfs/dbraw/zinc/27/63/54/1033276354.db2.gz HGSZOZMWJNVRHT-CTNGQTDRSA-N 1 3 321.468 3.930 20 0 DHADHO CO[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000885953926 1025417845 /nfs/dbraw/zinc/41/78/45/1025417845.db2.gz JRHBGKSXDCWWOB-HKUYNNGSSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cn2c(n1)CCCC2 ZINC000924685496 1033290165 /nfs/dbraw/zinc/29/01/65/1033290165.db2.gz JKWQBCXMHXBKIB-IAGOWNOFSA-N 1 3 318.509 3.525 20 0 DHADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cn2c(n1)CCCC2 ZINC000924685496 1033290168 /nfs/dbraw/zinc/29/01/68/1033290168.db2.gz JKWQBCXMHXBKIB-IAGOWNOFSA-N 1 3 318.509 3.525 20 0 DHADHO CN(C)CC1(C[NH2+][C@@H]2CCCOc3ccccc32)CCCC1 ZINC000355070655 1025598317 /nfs/dbraw/zinc/59/83/17/1025598317.db2.gz SYJOPUIOEBMFRI-QGZVFWFLSA-N 1 3 302.462 3.612 20 0 DHADHO COc1cccc(CNC2CCC(C)([NH+]3CCCC3)CC2)c1F ZINC000886641281 1025754613 /nfs/dbraw/zinc/75/46/13/1025754613.db2.gz FJLQSZVFMFFZGW-UHFFFAOYSA-N 1 3 320.452 3.721 20 0 DHADHO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(CSC(F)F)o2)CCN1C ZINC000093644782 1026120373 /nfs/dbraw/zinc/12/03/73/1026120373.db2.gz DQXISHOETYQQDI-RYUDHWBXSA-N 1 3 318.433 3.650 20 0 DHADHO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(CSC(F)F)o2)CCN1C ZINC000093644782 1026120377 /nfs/dbraw/zinc/12/03/77/1026120377.db2.gz DQXISHOETYQQDI-RYUDHWBXSA-N 1 3 318.433 3.650 20 0 DHADHO COCCCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000894140914 1026154044 /nfs/dbraw/zinc/15/40/44/1026154044.db2.gz HOVMOZLSYSTCGZ-NXEWRWPSSA-N 1 3 316.489 3.759 20 0 DHADHO COCCCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000894140914 1026154050 /nfs/dbraw/zinc/15/40/50/1026154050.db2.gz HOVMOZLSYSTCGZ-NXEWRWPSSA-N 1 3 316.489 3.759 20 0 DHADHO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000532968436 1026154830 /nfs/dbraw/zinc/15/48/30/1026154830.db2.gz CUSVIBUAXVFEQB-QUCCMNQESA-N 1 3 300.490 3.816 20 0 DHADHO C[C@H](CCc1ccccc1)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000532968436 1026154834 /nfs/dbraw/zinc/15/48/34/1026154834.db2.gz CUSVIBUAXVFEQB-QUCCMNQESA-N 1 3 300.490 3.816 20 0 DHADHO Fc1ccc(C2CC(NC3CC([NH+]4CCCCC4)C3)C2)c(F)c1 ZINC000894171182 1026313783 /nfs/dbraw/zinc/31/37/83/1026313783.db2.gz CVYDSUYSLIJSEB-UHFFFAOYSA-N 1 3 320.427 3.817 20 0 DHADHO COCc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738128 1026610925 /nfs/dbraw/zinc/61/09/25/1026610925.db2.gz QBXONRRJCJJFDE-UHFFFAOYSA-N 1 3 312.457 3.527 20 0 DHADHO C[C@H](c1ccccc1Cl)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420382473 1026811682 /nfs/dbraw/zinc/81/16/82/1026811682.db2.gz PUNWHQVEXRWUIL-JEBQAFNWSA-N 1 3 322.880 3.619 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)NC[C@H]1CCC[NH2+]C1 ZINC000420399436 1026814390 /nfs/dbraw/zinc/81/43/90/1026814390.db2.gz HUNZLATWRPWMLK-ROUUACIJSA-N 1 3 314.498 3.930 20 0 DHADHO C[NH+](C)CCCCCCCNCc1ccnc(Cl)c1Cl ZINC000811476871 1027016222 /nfs/dbraw/zinc/01/62/22/1027016222.db2.gz VBRHPYVQVFVBKM-UHFFFAOYSA-N 1 3 318.292 3.990 20 0 DHADHO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)n1 ZINC000421848199 1027075146 /nfs/dbraw/zinc/07/51/46/1027075146.db2.gz ABKYTURWFCSJGS-KKSFZXQISA-N 1 3 323.484 3.699 20 0 DHADHO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)n1 ZINC000421848199 1027075151 /nfs/dbraw/zinc/07/51/51/1027075151.db2.gz ABKYTURWFCSJGS-KKSFZXQISA-N 1 3 323.484 3.699 20 0 DHADHO Cc1ccc(OC(F)F)c([C@@H](C)NCC2=CC[N@H+](C)CC2)c1 ZINC000271828777 1027154635 /nfs/dbraw/zinc/15/46/35/1027154635.db2.gz DONHDXGXDNPBAM-CYBMUJFWSA-N 1 3 310.388 3.509 20 0 DHADHO Cc1ccc(OC(F)F)c([C@@H](C)NCC2=CC[N@@H+](C)CC2)c1 ZINC000271828777 1027154642 /nfs/dbraw/zinc/15/46/42/1027154642.db2.gz DONHDXGXDNPBAM-CYBMUJFWSA-N 1 3 310.388 3.509 20 0 DHADHO CC[NH+]1CCC(CCN[C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000572787743 1027230288 /nfs/dbraw/zinc/23/02/88/1027230288.db2.gz XSAVWKLSPNOHQM-SFHVURJKSA-N 1 3 318.509 3.743 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000572991589 1027251712 /nfs/dbraw/zinc/25/17/12/1027251712.db2.gz KBXXWJXJJSUCMK-UHFFFAOYSA-N 1 3 316.489 3.972 20 0 DHADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422700587 1027295846 /nfs/dbraw/zinc/29/58/46/1027295846.db2.gz AHIPPDNDHHNPOM-MAUKXSAKSA-N 1 3 311.473 3.911 20 0 DHADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422742854 1027309970 /nfs/dbraw/zinc/30/99/70/1027309970.db2.gz QUXDUFSUQRSYSL-ZHFAOOELSA-N 1 3 321.468 3.556 20 0 DHADHO CC[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)c1ccc(OC)cc1 ZINC000422769812 1027316027 /nfs/dbraw/zinc/31/60/27/1027316027.db2.gz UBRVIBPUMDXMGD-AUUYWEPGSA-N 1 3 313.445 3.659 20 0 DHADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775259 1027320406 /nfs/dbraw/zinc/32/04/06/1027320406.db2.gz AWOCTEVTKJCNFH-OIISXLGYSA-N 1 3 321.896 3.558 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000422794424 1027323353 /nfs/dbraw/zinc/32/33/53/1027323353.db2.gz GMWYADCRONJPMP-LLVKDONJSA-N 1 3 323.362 3.718 20 0 DHADHO [NH3+][C@H]1C[C@H](NCCc2c[nH]c3cc(F)ccc23)c2ccccc21 ZINC000422830810 1027333593 /nfs/dbraw/zinc/33/35/93/1027333593.db2.gz DBXPBEURHJIAOZ-HKUYNNGSSA-N 1 3 309.388 3.584 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924958207 1027338747 /nfs/dbraw/zinc/33/87/47/1027338747.db2.gz CWHQIIIFXALOOI-IAGOWNOFSA-N 1 3 318.505 3.685 20 0 DHADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000422862928 1027341388 /nfs/dbraw/zinc/34/13/88/1027341388.db2.gz OFKYSRHEMXCETL-NHCUHLMSSA-N 1 3 324.468 3.620 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc(COCc2ccccc2)c1 ZINC000422860534 1027342876 /nfs/dbraw/zinc/34/28/76/1027342876.db2.gz LMELUPUVFFRENA-DLBZAZTESA-N 1 3 312.457 3.619 20 0 DHADHO C[C@@H]([NH2+]CCc1nc(C2CCCCC2)cs1)[C@@H]1CCCCN1 ZINC000422906660 1027357180 /nfs/dbraw/zinc/35/71/80/1027357180.db2.gz ABEIPJGARLISRW-ZBFHGGJFSA-N 1 3 321.534 3.854 20 0 DHADHO c1c2ccccc2oc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422923150 1027361600 /nfs/dbraw/zinc/36/16/00/1027361600.db2.gz RHBTWCXSLFCIAV-CEXWTWQISA-N 1 3 312.457 3.876 20 0 DHADHO CC(C)(CO)[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422965881 1027372584 /nfs/dbraw/zinc/37/25/84/1027372584.db2.gz MHMQMYQYKNFTCT-VAMGGRTRSA-N 1 3 324.468 3.523 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422920641 1027373667 /nfs/dbraw/zinc/37/36/67/1027373667.db2.gz MLBNYJMWHAFVSX-BNEJOLLZSA-N 1 3 322.880 3.618 20 0 DHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)c2ccccc21 ZINC000422994806 1027385960 /nfs/dbraw/zinc/38/59/60/1027385960.db2.gz WIJUFHWONRERFQ-MXEMCNAFSA-N 1 3 322.452 3.859 20 0 DHADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000423019962 1027392882 /nfs/dbraw/zinc/39/28/82/1027392882.db2.gz YBLYGFFNFBYSIX-GJZGRUSLSA-N 1 3 313.272 3.885 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000423019961 1027393857 /nfs/dbraw/zinc/39/38/57/1027393857.db2.gz YBLYGFFNFBYSIX-CABCVRRESA-N 1 3 313.272 3.885 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000422995713 1027395459 /nfs/dbraw/zinc/39/54/59/1027395459.db2.gz YWAQTBIVRHRWMX-LIRRHRJNSA-N 1 3 309.457 3.922 20 0 DHADHO c1cncc(-c2cccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)c1 ZINC000423044859 1027399716 /nfs/dbraw/zinc/39/97/16/1027399716.db2.gz BXVJFESAPKGNGX-PCCBWWKXSA-N 1 3 321.468 3.759 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423045968 1027400198 /nfs/dbraw/zinc/40/01/98/1027400198.db2.gz DNIOCWTXDPVZEJ-IPHXSNPTSA-N 1 3 322.452 3.850 20 0 DHADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC000423066815 1027407757 /nfs/dbraw/zinc/40/77/57/1027407757.db2.gz YBFQXDQGFPQUCU-HOTGVXAUSA-N 1 3 310.844 3.760 20 0 DHADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2cccc(Cl)c2F)CCCC1 ZINC000423078676 1027410533 /nfs/dbraw/zinc/41/05/33/1027410533.db2.gz OXWZJZCRVZZNPW-HUUCEWRRSA-N 1 3 310.844 3.760 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCC2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000423090833 1027413739 /nfs/dbraw/zinc/41/37/39/1027413739.db2.gz YLSBZCREFUEXCU-NHCUHLMSSA-N 1 3 321.468 3.637 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCC2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000423090832 1027415299 /nfs/dbraw/zinc/41/52/99/1027415299.db2.gz YLSBZCREFUEXCU-LEWJYISDSA-N 1 3 321.468 3.637 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCCCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000423117276 1027418101 /nfs/dbraw/zinc/41/81/01/1027418101.db2.gz UPQQFQHQNDSRNL-UYAOXDASSA-N 1 3 323.415 3.974 20 0 DHADHO Cc1cc2cc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423115791 1027418726 /nfs/dbraw/zinc/41/87/26/1027418726.db2.gz YSCAIEXTMBQHRR-YSIASYRMSA-N 1 3 311.473 3.877 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(C(C)(F)F)cc1 ZINC000423126978 1027421192 /nfs/dbraw/zinc/42/11/92/1027421192.db2.gz BKXWMBYTQPYHTP-LBPRGKRZSA-N 1 3 319.399 3.811 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423105088 1027424023 /nfs/dbraw/zinc/42/40/23/1027424023.db2.gz NBPSUZHEJLYHSI-OGHNNQOOSA-N 1 3 310.869 3.523 20 0 DHADHO FC(F)(F)c1cccc([C@H]2CCC[C@@H]2[NH2+]C2CCNCC2)c1 ZINC000423111156 1027427505 /nfs/dbraw/zinc/42/75/05/1027427505.db2.gz VZOKRPVDIMGPOC-CVEARBPZSA-N 1 3 312.379 3.683 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H]1CCc2ccccc21 ZINC000423149839 1027432722 /nfs/dbraw/zinc/43/27/22/1027432722.db2.gz XXVSNPJWYPOTTA-WMLDXEAASA-N 1 3 309.457 3.619 20 0 DHADHO COc1cccc([C@@H]2C[C@H]2CN[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423186271 1027439417 /nfs/dbraw/zinc/43/94/17/1027439417.db2.gz OEOGQSPLXHXYNJ-GAZPGATBSA-N 1 3 308.425 3.533 20 0 DHADHO Cc1cc(C)c2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3C)CCCO2 ZINC000295923110 1027490124 /nfs/dbraw/zinc/49/01/24/1027490124.db2.gz KAMVCSNECKEXON-RGPMPMONSA-N 1 3 314.473 3.732 20 0 DHADHO COc1cc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])ccc1SC ZINC000423274430 1027492841 /nfs/dbraw/zinc/49/28/41/1027492841.db2.gz KLPZPYZZCIPBCW-QEJZJMRPSA-N 1 3 308.491 3.585 20 0 DHADHO NC1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CCC1 ZINC000423318299 1027501065 /nfs/dbraw/zinc/50/10/65/1027501065.db2.gz DNHLMWIEYDWMNJ-CQSZACIVSA-N 1 3 313.470 3.659 20 0 DHADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295956322 1027501904 /nfs/dbraw/zinc/50/19/04/1027501904.db2.gz MQSYMPXZYZMROT-GIZCOMSASA-N 1 3 302.437 3.664 20 0 DHADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295956322 1027501916 /nfs/dbraw/zinc/50/19/16/1027501916.db2.gz MQSYMPXZYZMROT-GIZCOMSASA-N 1 3 302.437 3.664 20 0 DHADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000423297906 1027503682 /nfs/dbraw/zinc/50/36/82/1027503682.db2.gz MKHJTCXYTVNSGV-WDEREUQCSA-N 1 3 307.438 3.503 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000423325437 1027510807 /nfs/dbraw/zinc/51/08/07/1027510807.db2.gz JSEXZCXAMPRFOX-QWQRMKEZSA-N 1 3 317.502 3.768 20 0 DHADHO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)[C@@H](C)N)CCC3)cc1 ZINC000423447433 1027545330 /nfs/dbraw/zinc/54/53/30/1027545330.db2.gz OZXNMYXGEMFKSU-UMVBOHGHSA-N 1 3 315.486 3.821 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423443922 1027545380 /nfs/dbraw/zinc/54/53/80/1027545380.db2.gz LAISHHSVWXRCFC-COPLHBTASA-N 1 3 319.449 3.652 20 0 DHADHO C[C@H](N[C@@H]1CCc2c1cccc2O)c1cccc(C[NH+](C)C)c1 ZINC000924966360 1027637930 /nfs/dbraw/zinc/63/79/30/1027637930.db2.gz DPIIKHHIRYCOLK-IFXJQAMLSA-N 1 3 310.441 3.792 20 0 DHADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(-c3ccncc3)c2)C1 ZINC000576985448 1027689631 /nfs/dbraw/zinc/68/96/31/1027689631.db2.gz YXDKUZCFKIYXTD-SFTDATJTSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(-c3ccncc3)c2)C1 ZINC000576985448 1027689640 /nfs/dbraw/zinc/68/96/40/1027689640.db2.gz YXDKUZCFKIYXTD-SFTDATJTSA-N 1 3 321.468 3.665 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000578617378 1028195123 /nfs/dbraw/zinc/19/51/23/1028195123.db2.gz JWTMJFFWDQUOJL-KFKAGJAMSA-N 1 3 323.484 3.911 20 0 DHADHO Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000367593279 1028212239 /nfs/dbraw/zinc/21/22/39/1028212239.db2.gz HEADHRATAKKOLH-PKOBYXMFSA-N 1 3 309.457 3.563 20 0 DHADHO CCN(C)C[C@H]1CC[N@H+](Cc2cccc3c(OC)cccc23)C1 ZINC000449038372 1028280758 /nfs/dbraw/zinc/28/07/58/1028280758.db2.gz UDDFESFXOOQKCH-MRXNPFEDSA-N 1 3 312.457 3.622 20 0 DHADHO CCN(C)C[C@H]1CC[N@@H+](Cc2cccc3c(OC)cccc23)C1 ZINC000449038372 1028280775 /nfs/dbraw/zinc/28/07/75/1028280775.db2.gz UDDFESFXOOQKCH-MRXNPFEDSA-N 1 3 312.457 3.622 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCc2cccnc2)CC1 ZINC000449075921 1028339687 /nfs/dbraw/zinc/33/96/87/1028339687.db2.gz OBUVZIXVWVCFGO-UHFFFAOYSA-N 1 3 317.521 3.893 20 0 DHADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H]3CCCC34CCC4)C2)cc1 ZINC000449120113 1028374890 /nfs/dbraw/zinc/37/48/90/1028374890.db2.gz BQZMDJCRBWTSGI-PMACEKPBSA-N 1 3 312.501 3.863 20 0 DHADHO COC[C@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449189819 1028427361 /nfs/dbraw/zinc/42/73/61/1028427361.db2.gz MYJKRBIDFGLESD-KRWDZBQOSA-N 1 3 310.526 3.680 20 0 DHADHO [NH3+][C@H]1C[C@H](NCCc2ccc(OC(F)F)cc2)c2ccccc21 ZINC000564823893 1028506180 /nfs/dbraw/zinc/50/61/80/1028506180.db2.gz NGWWFECOYHIUOC-IRXDYDNUSA-N 1 3 318.367 3.565 20 0 DHADHO COc1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc2ccccc21 ZINC000449330942 1028541315 /nfs/dbraw/zinc/54/13/15/1028541315.db2.gz MSKMHJAEBDUGIG-AZUAARDMSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc2ccccc21 ZINC000449330942 1028541327 /nfs/dbraw/zinc/54/13/27/1028541327.db2.gz MSKMHJAEBDUGIG-AZUAARDMSA-N 1 3 324.468 3.765 20 0 DHADHO CC(C)c1nccn1[C@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000370494810 1028609807 /nfs/dbraw/zinc/60/98/07/1028609807.db2.gz KSPZZNRJZHJLIF-MSOLQXFVSA-N 1 3 318.509 3.518 20 0 DHADHO CC(C)c1nccn1[C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000370494810 1028609815 /nfs/dbraw/zinc/60/98/15/1028609815.db2.gz KSPZZNRJZHJLIF-MSOLQXFVSA-N 1 3 318.509 3.518 20 0 DHADHO CC(C)c1nccn1[C@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000370494810 1028609821 /nfs/dbraw/zinc/60/98/21/1028609821.db2.gz KSPZZNRJZHJLIF-MSOLQXFVSA-N 1 3 318.509 3.518 20 0 DHADHO CC(C)c1nccn1[C@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000370494810 1028609826 /nfs/dbraw/zinc/60/98/26/1028609826.db2.gz KSPZZNRJZHJLIF-MSOLQXFVSA-N 1 3 318.509 3.518 20 0 DHADHO CC[N@@H+]1CC[C@@H](NCc2ccccc2-c2ccncc2)[C@H](C)C1 ZINC000371207745 1028678108 /nfs/dbraw/zinc/67/81/08/1028678108.db2.gz FNOBYAKPRHFZNW-OXQOHEQNSA-N 1 3 309.457 3.569 20 0 DHADHO CC[N@H+]1CC[C@@H](NCc2ccccc2-c2ccncc2)[C@H](C)C1 ZINC000371207745 1028678111 /nfs/dbraw/zinc/67/81/11/1028678111.db2.gz FNOBYAKPRHFZNW-OXQOHEQNSA-N 1 3 309.457 3.569 20 0 DHADHO CC(C)[C@H](CO)[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000449513001 1028738576 /nfs/dbraw/zinc/73/85/76/1028738576.db2.gz RCXAWSSUCIVBOZ-PMACEKPBSA-N 1 3 324.553 3.662 20 0 DHADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc2ccccc21 ZINC000449561448 1028801603 /nfs/dbraw/zinc/80/16/03/1028801603.db2.gz VBSQNAOSRYEWJI-AYHJJNSGSA-N 1 3 310.441 3.563 20 0 DHADHO CC1(C)SC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000566986513 1028814033 /nfs/dbraw/zinc/81/40/33/1028814033.db2.gz GECJQLSTVXAUCK-XMTFNYHQSA-N 1 3 316.514 3.666 20 0 DHADHO CC1(C)SC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000566986513 1028814045 /nfs/dbraw/zinc/81/40/45/1028814045.db2.gz GECJQLSTVXAUCK-XMTFNYHQSA-N 1 3 316.514 3.666 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@]2(C)CCCS2)C1 ZINC000628156281 1028910992 /nfs/dbraw/zinc/91/09/92/1028910992.db2.gz KDMATFAJHSQQTL-KZNAEPCWSA-N 1 3 310.551 3.859 20 0 DHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@]2(C)CCCS2)C1 ZINC000628156281 1028911009 /nfs/dbraw/zinc/91/10/09/1028911009.db2.gz KDMATFAJHSQQTL-KZNAEPCWSA-N 1 3 310.551 3.859 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc3ccc(C)cc3c2)C[C@H]1C ZINC000411311810 1029097048 /nfs/dbraw/zinc/09/70/48/1029097048.db2.gz XXRAZRPLEVQBQK-VQIMIIECSA-N 1 3 311.473 3.848 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc3ccc(C)cc3c2)C[C@H]1C ZINC000411311810 1029097062 /nfs/dbraw/zinc/09/70/62/1029097062.db2.gz XXRAZRPLEVQBQK-VQIMIIECSA-N 1 3 311.473 3.848 20 0 DHADHO c1ccc2c(c1)CC(C[NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC000569160973 1029185549 /nfs/dbraw/zinc/18/55/49/1029185549.db2.gz BPJBJUVRSGUODI-UHFFFAOYSA-N 1 3 312.501 3.646 20 0 DHADHO Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H](N)c4ccccc43)C2)cc1 ZINC000817898114 1029269038 /nfs/dbraw/zinc/26/90/38/1029269038.db2.gz ZZBKHXKDHZPFQH-ORYQWCPZSA-N 1 3 321.468 3.698 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000817909031 1029273591 /nfs/dbraw/zinc/27/35/91/1029273591.db2.gz WMEKNAIRFSDVKZ-QWHCGFSZSA-N 1 3 317.864 3.784 20 0 DHADHO C[C@H]1C[C@H](NCc2ccc(CC[NH3+])cc2)c2ccsc2S1 ZINC000817948480 1029290660 /nfs/dbraw/zinc/29/06/60/1029290660.db2.gz KMULPFGOVVNLEK-LRDDRELGSA-N 1 3 318.511 3.965 20 0 DHADHO C[C@H]([NH3+])CCN[C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817951045 1029293758 /nfs/dbraw/zinc/29/37/58/1029293758.db2.gz ANPCVPIEUDDHAQ-IINYFYTJSA-N 1 3 300.418 3.706 20 0 DHADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1cnc2ccsc2c1 ZINC000817950542 1029295014 /nfs/dbraw/zinc/29/50/14/1029295014.db2.gz ZPTJXVQOGCZYKL-ZDUSSCGKSA-N 1 3 311.454 3.648 20 0 DHADHO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccc(SC(F)F)cc1 ZINC000817966985 1029307281 /nfs/dbraw/zinc/30/72/81/1029307281.db2.gz BCXQNWCIXNKJMK-COPLHBTASA-N 1 3 300.418 3.650 20 0 DHADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1cccc(-c2ccccc2)c1 ZINC000629520331 1029355263 /nfs/dbraw/zinc/35/52/63/1029355263.db2.gz GLYGIOJXJJXTRX-INIZCTEOSA-N 1 3 310.441 3.512 20 0 DHADHO CC1CC[NH+](C[C@H]2CCCN(C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000450326082 1029377956 /nfs/dbraw/zinc/37/79/56/1029377956.db2.gz XBRSVNAUTNZTFR-IAGOWNOFSA-N 1 3 314.464 3.866 20 0 DHADHO Clc1ccc(-c2nc(CNCC[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000570543106 1029380640 /nfs/dbraw/zinc/38/06/40/1029380640.db2.gz GBBMCOXQYLGQRI-LBPRGKRZSA-N 1 3 321.877 3.553 20 0 DHADHO c1cc2ccc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2[nH]1 ZINC000529534537 1029394781 /nfs/dbraw/zinc/39/47/81/1029394781.db2.gz FGSVLNPTNUKWBP-FXAWDEMLSA-N 1 3 309.457 3.617 20 0 DHADHO c1cc2ccc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2[nH]1 ZINC000529534537 1029394796 /nfs/dbraw/zinc/39/47/96/1029394796.db2.gz FGSVLNPTNUKWBP-FXAWDEMLSA-N 1 3 309.457 3.617 20 0 DHADHO Cc1cnccc1CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000530216416 1029785694 /nfs/dbraw/zinc/78/56/94/1029785694.db2.gz BGNVKAGYPJAJIC-SFTDATJTSA-N 1 3 323.484 3.562 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@H]2CCc3cccc(F)c3C2)CC1(C)C ZINC001170960933 1029822724 /nfs/dbraw/zinc/82/27/24/1029822724.db2.gz JHXXGSVGTRZATN-HNNXBMFYSA-N 1 3 318.480 3.924 20 0 DHADHO CCSCCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121808525 1029860135 /nfs/dbraw/zinc/86/01/35/1029860135.db2.gz HHYFLMMGECPEIG-AEFFLSMTSA-N 1 3 306.519 3.724 20 0 DHADHO CCSCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121808525 1029860144 /nfs/dbraw/zinc/86/01/44/1029860144.db2.gz HHYFLMMGECPEIG-AEFFLSMTSA-N 1 3 306.519 3.724 20 0 DHADHO CCC(CC)N1CCC([NH2+][C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170976725 1029944446 /nfs/dbraw/zinc/94/44/46/1029944446.db2.gz WWOCQSDBGGABQA-KRWDZBQOSA-N 1 3 318.480 3.926 20 0 DHADHO CCC(CC)[NH+]1CCC(N[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170976725 1029944459 /nfs/dbraw/zinc/94/44/59/1029944459.db2.gz WWOCQSDBGGABQA-KRWDZBQOSA-N 1 3 318.480 3.926 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCCOc2ccc(Cl)cc2)C[C@H]1C ZINC000530662791 1029949156 /nfs/dbraw/zinc/94/91/56/1029949156.db2.gz BVHUZHCXJYXQIM-WBVHZDCISA-N 1 3 324.896 3.914 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCCOc2ccc(Cl)cc2)C[C@H]1C ZINC000530662791 1029949169 /nfs/dbraw/zinc/94/91/69/1029949169.db2.gz BVHUZHCXJYXQIM-WBVHZDCISA-N 1 3 324.896 3.914 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2cc(C)c(O)c(C)c2)c1 ZINC000290227630 1029956965 /nfs/dbraw/zinc/95/69/65/1029956965.db2.gz FPYYHMLVXPQTLM-UHFFFAOYSA-N 1 3 312.457 3.751 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2cc(C)c(O)c(C)c2)c1 ZINC000290227630 1029956975 /nfs/dbraw/zinc/95/69/75/1029956975.db2.gz FPYYHMLVXPQTLM-UHFFFAOYSA-N 1 3 312.457 3.751 20 0 DHADHO C[NH+](C)C1(C)CCC(NCc2nc(C(C)(C)C)cs2)CC1 ZINC000865765155 1030013494 /nfs/dbraw/zinc/01/34/94/1030013494.db2.gz YFULGEKEIZHIGJ-UHFFFAOYSA-N 1 3 309.523 3.793 20 0 DHADHO CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000924854502 1030206704 /nfs/dbraw/zinc/20/67/04/1030206704.db2.gz HNAAWDZNYNJLFG-PMACEKPBSA-N 1 3 322.537 3.682 20 0 DHADHO CC[NH+]1CCC(CN[C@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000924955304 1030234454 /nfs/dbraw/zinc/23/44/54/1030234454.db2.gz NLKCEKOXHFVDLC-OAQYLSRUSA-N 1 3 323.484 3.801 20 0 DHADHO Cc1ncc2c(n1)CCC[C@@H]2N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925082243 1030266916 /nfs/dbraw/zinc/26/69/16/1030266916.db2.gz IRSCRDMLXDMSTG-LIRRHRJNSA-N 1 3 324.472 3.575 20 0 DHADHO Cc1noc(C)c1[C@H](C)NC1CCC([NH+]2CCCCC2)CC1 ZINC000925230585 1030315434 /nfs/dbraw/zinc/31/54/34/1030315434.db2.gz YLDMJQBNZOATNC-IGEOTXOUSA-N 1 3 305.466 3.739 20 0 DHADHO CC[C@H]1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC000823747997 1030388853 /nfs/dbraw/zinc/38/88/53/1030388853.db2.gz PYUBANRSNQCSBJ-OALUTQOASA-N 1 3 308.510 3.578 20 0 DHADHO [NH3+][C@H]1C[C@H](NCCc2nc(C3CCCCC3)cs2)C12CCC2 ZINC000925571743 1030408580 /nfs/dbraw/zinc/40/85/80/1030408580.db2.gz NIHZLFFVBGXTSI-HOTGVXAUSA-N 1 3 319.518 3.593 20 0 DHADHO C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925646984 1030432484 /nfs/dbraw/zinc/43/24/84/1030432484.db2.gz XJIPLCMZNUSMOU-FOIQADDNSA-N 1 3 309.457 3.945 20 0 DHADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3ccccc3Cl)C1)[NH2+]2 ZINC000925677044 1030451566 /nfs/dbraw/zinc/45/15/66/1030451566.db2.gz VKKKCUSVXCXOQQ-NAKMTTOXSA-N 1 3 304.865 3.705 20 0 DHADHO C[C@]1(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1(Cl)Cl ZINC000925694992 1030455692 /nfs/dbraw/zinc/45/56/92/1030455692.db2.gz VQLJLFSTFXKOLO-KKUMJFAQSA-N 1 3 319.320 3.718 20 0 DHADHO CCC1([NH3+])CCN([C@@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000925757908 1030485586 /nfs/dbraw/zinc/48/55/86/1030485586.db2.gz WGGMQSHIJWLZCK-KBPBESRZSA-N 1 3 317.502 3.992 20 0 DHADHO CC(C)[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc2ccccc2o1 ZINC000925780396 1030496459 /nfs/dbraw/zinc/49/64/59/1030496459.db2.gz FNMQHQKGPHULKD-YOEHRIQHSA-N 1 3 322.399 3.964 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCCc2ccc3ncccc3c2)c2ccccc21 ZINC000925814691 1030505914 /nfs/dbraw/zinc/50/59/14/1030505914.db2.gz OJZFTBJOKACNFO-UYAOXDASSA-N 1 3 303.409 3.512 20 0 DHADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1cc(Cl)cc(Cl)c1F ZINC000925829620 1030512852 /nfs/dbraw/zinc/51/28/52/1030512852.db2.gz PKPYMSUHIXRPNN-MWLCHTKSSA-N 1 3 323.239 3.537 20 0 DHADHO c1ccc2ncc(CC[NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)cc2c1 ZINC000925834163 1030513967 /nfs/dbraw/zinc/51/39/67/1030513967.db2.gz VSKLXADUGIAUMG-TZIWHRDSSA-N 1 3 323.484 3.535 20 0 DHADHO CC[N@@H+]1CC[C@@H](CNC/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000558482811 1030597925 /nfs/dbraw/zinc/59/79/25/1030597925.db2.gz NIFCKBUZHDCBQM-LTBFUDJGSA-N 1 3 324.415 3.623 20 0 DHADHO CC[N@H+]1CC[C@@H](CNC/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000558482811 1030597932 /nfs/dbraw/zinc/59/79/32/1030597932.db2.gz NIFCKBUZHDCBQM-LTBFUDJGSA-N 1 3 324.415 3.623 20 0 DHADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCCN(C2CCC2)C1 ZINC000926119576 1030625464 /nfs/dbraw/zinc/62/54/64/1030625464.db2.gz MOFZAZVHIFUWLH-WNJABXAVSA-N 1 3 308.535 3.656 20 0 DHADHO Cc1cnc([C@H](C)C[NH2+]C2CCN(CCC(C)C)CC2)s1 ZINC000926161279 1030637184 /nfs/dbraw/zinc/63/71/84/1030637184.db2.gz TUIASKBBXOPDAS-CQSZACIVSA-N 1 3 309.523 3.655 20 0 DHADHO Cc1cnc([C@H](C)CNC2CC[NH+](CCC(C)C)CC2)s1 ZINC000926161279 1030637192 /nfs/dbraw/zinc/63/71/92/1030637192.db2.gz TUIASKBBXOPDAS-CQSZACIVSA-N 1 3 309.523 3.655 20 0 DHADHO CC(C)[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000359013497 1030727518 /nfs/dbraw/zinc/72/75/18/1030727518.db2.gz IQHHIDVERBFUGZ-PZJWPPBQSA-N 1 3 323.484 3.890 20 0 DHADHO CC(C)[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000359013497 1030727526 /nfs/dbraw/zinc/72/75/26/1030727526.db2.gz IQHHIDVERBFUGZ-PZJWPPBQSA-N 1 3 323.484 3.890 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C12CCC2 ZINC000248409669 1030742872 /nfs/dbraw/zinc/74/28/72/1030742872.db2.gz XCTLADPRJCRXPL-ZAWLATJESA-N 1 3 320.521 3.577 20 0 DHADHO C[C@@H](O)[C@@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000926731966 1030891369 /nfs/dbraw/zinc/89/13/69/1030891369.db2.gz NOCNTQFRWVCWFQ-RZQQEMMASA-N 1 3 312.457 3.521 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000252802301 1030926423 /nfs/dbraw/zinc/92/64/23/1030926423.db2.gz LBZPVTDAEHCOAU-LEWJYISDSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000252802301 1030926434 /nfs/dbraw/zinc/92/64/34/1030926434.db2.gz LBZPVTDAEHCOAU-LEWJYISDSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@H]2C[N@H+](Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000252802301 1030926448 /nfs/dbraw/zinc/92/64/48/1030926448.db2.gz LBZPVTDAEHCOAU-LEWJYISDSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000252802301 1030926459 /nfs/dbraw/zinc/92/64/59/1030926459.db2.gz LBZPVTDAEHCOAU-LEWJYISDSA-N 1 3 321.468 3.665 20 0 DHADHO C[C@@H]1C[C@H](N(C)Cc2cccc(N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000261644668 1031042209 /nfs/dbraw/zinc/04/22/09/1031042209.db2.gz GXIUPDDMDSIJIL-DYESRHJHSA-N 1 3 323.484 3.754 20 0 DHADHO C[C@@H]1C[C@H](N(C)Cc2cccc(N)c2)CC[N@H+]1Cc1ccccc1 ZINC000261644668 1031042227 /nfs/dbraw/zinc/04/22/27/1031042227.db2.gz GXIUPDDMDSIJIL-DYESRHJHSA-N 1 3 323.484 3.754 20 0 DHADHO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000359622948 1031069973 /nfs/dbraw/zinc/06/99/73/1031069973.db2.gz UCKBDJKVQXFRKN-QGZVFWFLSA-N 1 3 324.468 3.890 20 0 DHADHO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000359622948 1031069988 /nfs/dbraw/zinc/06/99/88/1031069988.db2.gz UCKBDJKVQXFRKN-QGZVFWFLSA-N 1 3 324.468 3.890 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@@]2(c3ccccc3)CCCO2)CC1 ZINC000927114133 1031099328 /nfs/dbraw/zinc/09/93/28/1031099328.db2.gz BZIGKYXVIDLNLU-HXUWFJFHSA-N 1 3 316.489 3.545 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000162460994 1031182207 /nfs/dbraw/zinc/18/22/07/1031182207.db2.gz JXRPXEVSFZTKAF-QGZVFWFLSA-N 1 3 309.457 3.885 20 0 DHADHO CC(C)O[C@@H](CN1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000293081362 1031317265 /nfs/dbraw/zinc/31/72/65/1031317265.db2.gz WGQLNFNAQVQYEB-VQTJNVASSA-N 1 3 316.489 3.570 20 0 DHADHO CC(C)O[C@@H](CN1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000293081362 1031317281 /nfs/dbraw/zinc/31/72/81/1031317281.db2.gz WGQLNFNAQVQYEB-VQTJNVASSA-N 1 3 316.489 3.570 20 0 DHADHO CC(C)O[C@H](CN1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000293081366 1031318621 /nfs/dbraw/zinc/31/86/21/1031318621.db2.gz WGQLNFNAQVQYEB-WOJBJXKFSA-N 1 3 316.489 3.570 20 0 DHADHO CC(C)O[C@H](CN1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000293081366 1031318639 /nfs/dbraw/zinc/31/86/39/1031318639.db2.gz WGQLNFNAQVQYEB-WOJBJXKFSA-N 1 3 316.489 3.570 20 0 DHADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([O-])c1F ZINC000872021904 1031406243 /nfs/dbraw/zinc/40/62/43/1031406243.db2.gz FVQZOSIRMUAFKG-HUUCEWRRSA-N 1 3 308.441 3.694 20 0 DHADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc([O-])c1F ZINC000872021904 1031406251 /nfs/dbraw/zinc/40/62/51/1031406251.db2.gz FVQZOSIRMUAFKG-HUUCEWRRSA-N 1 3 308.441 3.694 20 0 DHADHO CCC[C@H](NC[C@@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000360430049 1031423372 /nfs/dbraw/zinc/42/33/72/1031423372.db2.gz VTDOBSSJKHMIEE-APWZRJJASA-N 1 3 304.478 3.858 20 0 DHADHO CCC[C@H](C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000537203208 1031539356 /nfs/dbraw/zinc/53/93/56/1031539356.db2.gz QXYHZVGJQHVYLH-AQNXPRMDSA-N 1 3 300.490 3.986 20 0 DHADHO CCC[C@H](C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000537203208 1031539364 /nfs/dbraw/zinc/53/93/64/1031539364.db2.gz QXYHZVGJQHVYLH-AQNXPRMDSA-N 1 3 300.490 3.986 20 0 DHADHO C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210320 1031760102 /nfs/dbraw/zinc/76/01/02/1031760102.db2.gz BYTHIOKGPDFNJS-GWCFXTLKSA-N 1 3 318.408 3.557 20 0 DHADHO CC(C)n1nccc1CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232188 1031767243 /nfs/dbraw/zinc/76/72/43/1031767243.db2.gz MPXWKWHXLQUYOV-QFBILLFUSA-N 1 3 318.509 3.584 20 0 DHADHO CC(C)(C)c1nc(CN[C@H]2CCCCC23CC[NH2+]CC3)cs1 ZINC000873232319 1031768233 /nfs/dbraw/zinc/76/82/33/1031768233.db2.gz FCSKECZPNVRKIO-HNNXBMFYSA-N 1 3 321.534 3.843 20 0 DHADHO COc1ccc([C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C2CC2)cc1 ZINC000873244540 1031773073 /nfs/dbraw/zinc/77/30/73/1031773073.db2.gz MQTDPXJAJBMWNW-WMZOPIPTSA-N 1 3 302.462 3.514 20 0 DHADHO C[C@H](Cc1cccnc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000897971555 1031884966 /nfs/dbraw/zinc/88/49/66/1031884966.db2.gz ZMPSSYAJSKPDGN-SQGPQFPESA-N 1 3 315.505 3.645 20 0 DHADHO CC(C)CCN1CCC([NH2+][C@@H](c2ccncc2)C2CC2)CC1 ZINC000898317715 1032035270 /nfs/dbraw/zinc/03/52/70/1032035270.db2.gz LBSYACUXLCPDRY-LJQANCHMSA-N 1 3 301.478 3.633 20 0 DHADHO CC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000643522063 1033337305 /nfs/dbraw/zinc/33/73/05/1033337305.db2.gz HFVYYLNRDVJERC-DZGCQCFKSA-N 1 3 316.367 3.768 20 0 DHADHO CC(C)(C[NH2+][C@@H](Cc1ccccc1)C1CC1)CN1CCCC1 ZINC000477933616 1033372520 /nfs/dbraw/zinc/37/25/20/1033372520.db2.gz SXXKZINUXBOIFY-IBGZPJMESA-N 1 3 300.490 3.719 20 0 DHADHO CC(C)(C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)CN1CCCC1 ZINC000477938210 1033373842 /nfs/dbraw/zinc/37/38/42/1033373842.db2.gz NOBNWIDBLBXOTP-QGZVFWFLSA-N 1 3 306.881 3.519 20 0 DHADHO Cc1ccc2c(c1)C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)CC2 ZINC001172836758 1033399959 /nfs/dbraw/zinc/39/99/59/1033399959.db2.gz XBXNEQMVOKRSFX-FXAWDEMLSA-N 1 3 300.490 3.706 20 0 DHADHO C[NH+]1CCC2(CCN(Cc3cncc4ccccc43)CC2)CC1 ZINC000877684127 1033410011 /nfs/dbraw/zinc/41/00/11/1033410011.db2.gz HNLZYVIHNKJZPW-UHFFFAOYSA-N 1 3 309.457 3.543 20 0 DHADHO CO[C@H]1CCC[C@H]([N@H+](C)C2CCN(C3CCCCC3)CC2)C1 ZINC001172953409 1033494688 /nfs/dbraw/zinc/49/46/88/1033494688.db2.gz OVLCOBOXQKFBDX-OALUTQOASA-N 1 3 308.510 3.673 20 0 DHADHO CO[C@H]1CCC[C@H]([N@@H+](C)C2CCN(C3CCCCC3)CC2)C1 ZINC001172953409 1033494692 /nfs/dbraw/zinc/49/46/92/1033494692.db2.gz OVLCOBOXQKFBDX-OALUTQOASA-N 1 3 308.510 3.673 20 0 DHADHO CC[NH+](CC)C1CCC(N2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001173109645 1033545340 /nfs/dbraw/zinc/54/53/40/1033545340.db2.gz IWIAQLVEEWDQFB-NRXISQOPSA-N 1 3 306.416 3.709 20 0 DHADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173198969 1033589729 /nfs/dbraw/zinc/58/97/29/1033589729.db2.gz NFFWYLAJNXKXKG-NRGCRIOASA-N 1 3 316.489 3.839 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CC[C@H](c3ccccc3)O2)[C@@H](C)C1 ZINC000878258900 1033638491 /nfs/dbraw/zinc/63/84/91/1033638491.db2.gz WYBMLRBTBJIBIX-FRYIKTPZSA-N 1 3 316.489 3.569 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CC[C@H](c3ccccc3)O2)[C@@H](C)C1 ZINC000878258900 1033638499 /nfs/dbraw/zinc/63/84/99/1033638499.db2.gz WYBMLRBTBJIBIX-FRYIKTPZSA-N 1 3 316.489 3.569 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)[C@H]1CCCN(C2CCC2)C1 ZINC000878411373 1033694372 /nfs/dbraw/zinc/69/43/72/1033694372.db2.gz IPVSSHGZDDXBPZ-BQFCYCMXSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](NC[C@@H]1CCCC(C)(C)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411373 1033694378 /nfs/dbraw/zinc/69/43/78/1033694378.db2.gz IPVSSHGZDDXBPZ-BQFCYCMXSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](NC[C@@H]1CCCC(C)(C)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411373 1033694382 /nfs/dbraw/zinc/69/43/82/1033694382.db2.gz IPVSSHGZDDXBPZ-BQFCYCMXSA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)N(Cc1ccnn1-c1cc[nH+]cc1)Cc1cccc(F)c1 ZINC000667503578 1033797577 /nfs/dbraw/zinc/79/75/77/1033797577.db2.gz PWENVAJEXGJMAR-UHFFFAOYSA-N 1 3 324.403 3.817 20 0 DHADHO CC(C)[N@H+](Cc1ccnn1-c1ccncc1)Cc1cccc(F)c1 ZINC000667503578 1033797586 /nfs/dbraw/zinc/79/75/86/1033797586.db2.gz PWENVAJEXGJMAR-UHFFFAOYSA-N 1 3 324.403 3.817 20 0 DHADHO CC(C)[N@@H+](Cc1ccnn1-c1ccncc1)Cc1cccc(F)c1 ZINC000667503578 1033797598 /nfs/dbraw/zinc/79/75/98/1033797598.db2.gz PWENVAJEXGJMAR-UHFFFAOYSA-N 1 3 324.403 3.817 20 0 DHADHO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)NCCC[NH+](C)C ZINC000479849234 1033925744 /nfs/dbraw/zinc/92/57/44/1033925744.db2.gz HUJAVSXJMLZSST-NWDGAFQWSA-N 1 3 319.276 3.691 20 0 DHADHO C[C@@H](NCCC[NH+](C)C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000479849239 1033926132 /nfs/dbraw/zinc/92/61/32/1033926132.db2.gz HUJAVSXJMLZSST-VXGBXAGGSA-N 1 3 319.276 3.691 20 0 DHADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000554074530 1033951128 /nfs/dbraw/zinc/95/11/28/1033951128.db2.gz ZBBHQRIZJBNCOR-ZCNNSNEGSA-N 1 3 314.517 3.965 20 0 DHADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000554074528 1033952782 /nfs/dbraw/zinc/95/27/82/1033952782.db2.gz ZBBHQRIZJBNCOR-VAMGGRTRSA-N 1 3 314.517 3.965 20 0 DHADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000554074526 1033953144 /nfs/dbraw/zinc/95/31/44/1033953144.db2.gz ZBBHQRIZJBNCOR-AQNXPRMDSA-N 1 3 314.517 3.965 20 0 DHADHO C[C@H](CNc1ccnc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000554181503 1034011790 /nfs/dbraw/zinc/01/17/90/1034011790.db2.gz ZBKLOWPMTXLDOH-MRXNPFEDSA-N 1 3 317.436 3.515 20 0 DHADHO C[C@H](CNc1ccnc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000554181503 1034011795 /nfs/dbraw/zinc/01/17/95/1034011795.db2.gz ZBKLOWPMTXLDOH-MRXNPFEDSA-N 1 3 317.436 3.515 20 0 DHADHO C[C@@H](NCc1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178024461 1034202776 /nfs/dbraw/zinc/20/27/76/1034202776.db2.gz JGDUVYAAMUDCFE-CQSZACIVSA-N 1 3 304.459 3.539 20 0 DHADHO COc1ccc(CN(CC[C@H]2CCC[N@@H+]2C)C(C)(C)C)cc1 ZINC000554747579 1034312610 /nfs/dbraw/zinc/31/26/10/1034312610.db2.gz PHTKDSCDOOUWKS-QGZVFWFLSA-N 1 3 304.478 3.780 20 0 DHADHO COc1ccc(CN(CC[C@H]2CCC[N@H+]2C)C(C)(C)C)cc1 ZINC000554747579 1034312618 /nfs/dbraw/zinc/31/26/18/1034312618.db2.gz PHTKDSCDOOUWKS-QGZVFWFLSA-N 1 3 304.478 3.780 20 0 DHADHO C[C@H]([NH2+][C@H]1CCc2cccnc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000380066696 1034447042 /nfs/dbraw/zinc/44/70/42/1034447042.db2.gz POBKDWKLSSFWEL-DBVUQKKJSA-N 1 3 321.468 3.569 20 0 DHADHO CN1Cc2c(Nc3[nH]cc[nH+]3)cccc2[C@H](c2ccccc2)C1 ZINC001176085253 1035193814 /nfs/dbraw/zinc/19/38/14/1035193814.db2.gz HIGRVLHYNNBALI-INIZCTEOSA-N 1 3 304.397 3.731 20 0 DHADHO CN1Cc2c(Nc3[nH]cc[nH+]3)cccc2[C@@H](c2ccccc2)C1 ZINC001176085257 1035194039 /nfs/dbraw/zinc/19/40/39/1035194039.db2.gz HIGRVLHYNNBALI-MRXNPFEDSA-N 1 3 304.397 3.731 20 0 DHADHO Cc1cccc(CN(C)Cc2ccnn2-c2cc[nH+]cc2)c1C ZINC000668184422 1035211690 /nfs/dbraw/zinc/21/16/90/1035211690.db2.gz DWGHYMKMDHANRN-UHFFFAOYSA-N 1 3 306.413 3.516 20 0 DHADHO C[C@H]1C[C@@H](N(C)CCc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000194602518 1035241451 /nfs/dbraw/zinc/24/14/51/1035241451.db2.gz ZBKORHDEHRKUFC-LRDDRELGSA-N 1 3 315.288 3.950 20 0 DHADHO C[C@H]1C[C@@H](N(C)CCc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000194602518 1035241455 /nfs/dbraw/zinc/24/14/55/1035241455.db2.gz ZBKORHDEHRKUFC-LRDDRELGSA-N 1 3 315.288 3.950 20 0 DHADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484354985 1035332699 /nfs/dbraw/zinc/33/26/99/1035332699.db2.gz RTHFRAUKUIGEKI-ZIAGYGMSSA-N 1 3 306.416 3.771 20 0 DHADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484354985 1035332705 /nfs/dbraw/zinc/33/27/05/1035332705.db2.gz RTHFRAUKUIGEKI-ZIAGYGMSSA-N 1 3 306.416 3.771 20 0 DHADHO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000484468693 1035336961 /nfs/dbraw/zinc/33/69/61/1035336961.db2.gz CIFDEWMDZZECSS-SZMVWBNQSA-N 1 3 304.478 3.999 20 0 DHADHO Cc1cccc(C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C2CC2)c1 ZINC000484476209 1035344784 /nfs/dbraw/zinc/34/47/84/1035344784.db2.gz VAQMQPZKZHIQLW-AQNXPRMDSA-N 1 3 300.490 3.779 20 0 DHADHO CC1CCN(CCC[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC001177122708 1035349485 /nfs/dbraw/zinc/34/94/85/1035349485.db2.gz SGQCBCGKBBLUOM-UHFFFAOYSA-N 1 3 323.484 3.960 20 0 DHADHO CCN1CCC[C@@H](C[NH2+]Cc2cccc(OC(C)(C)C)c2)C1 ZINC001177543112 1035379841 /nfs/dbraw/zinc/37/98/41/1035379841.db2.gz ZWPRUDODQPNMAO-KRWDZBQOSA-N 1 3 304.478 3.685 20 0 DHADHO Cc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000904476193 1035418452 /nfs/dbraw/zinc/41/84/52/1035418452.db2.gz SCLZTRHSKALLOP-CTNGQTDRSA-N 1 3 322.452 3.649 20 0 DHADHO Cc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000904476195 1035418674 /nfs/dbraw/zinc/41/86/74/1035418674.db2.gz SCLZTRHSKALLOP-PZJWPPBQSA-N 1 3 322.452 3.649 20 0 DHADHO CN(C)CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC001178444853 1035427163 /nfs/dbraw/zinc/42/71/63/1035427163.db2.gz OXPJIWOWXWSDKD-UHFFFAOYSA-N 1 3 314.395 3.917 20 0 DHADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c(C)c1 ZINC001204249065 1035484530 /nfs/dbraw/zinc/48/45/30/1035484530.db2.gz LQKWYQIIPAANBI-YLJYHZDGSA-N 1 3 318.505 3.946 20 0 DHADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c(C)c1 ZINC001204249065 1035484533 /nfs/dbraw/zinc/48/45/33/1035484533.db2.gz LQKWYQIIPAANBI-YLJYHZDGSA-N 1 3 318.505 3.946 20 0 DHADHO C[C@@H](C[N@H+](C)CC[C@H]1CCCCN1C)c1cc(F)cc(F)c1 ZINC001180097750 1035597766 /nfs/dbraw/zinc/59/77/66/1035597766.db2.gz HMQVSEAGUIZTSQ-KBXCAEBGSA-N 1 3 310.432 3.875 20 0 DHADHO C[C@@H](C[N@@H+](C)CC[C@H]1CCCCN1C)c1cc(F)cc(F)c1 ZINC001180097750 1035597776 /nfs/dbraw/zinc/59/77/76/1035597776.db2.gz HMQVSEAGUIZTSQ-KBXCAEBGSA-N 1 3 310.432 3.875 20 0 DHADHO Cc1cc(CN2CCC(C[NH+]3CCCCCC3)CC2)c(C)o1 ZINC001180123601 1035603544 /nfs/dbraw/zinc/60/35/44/1035603544.db2.gz CHDCHKYXEHHTFV-UHFFFAOYSA-N 1 3 304.478 3.984 20 0 DHADHO C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC000906159548 1035783762 /nfs/dbraw/zinc/78/37/62/1035783762.db2.gz SDAQTCRRYCQAOX-KXBFYZLASA-N 1 3 322.456 3.552 20 0 DHADHO C[C@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC000906159548 1035783773 /nfs/dbraw/zinc/78/37/73/1035783773.db2.gz SDAQTCRRYCQAOX-KXBFYZLASA-N 1 3 322.456 3.552 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+]C2CC(Sc3ccccc3)C2)C1 ZINC001181472880 1035921485 /nfs/dbraw/zinc/92/14/85/1035921485.db2.gz VPOFWJMPTZRYOM-KLHKWILBSA-N 1 3 304.503 3.630 20 0 DHADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC001181536133 1035934359 /nfs/dbraw/zinc/93/43/59/1035934359.db2.gz YBHJRCRQDAZXTP-SJLPKXTDSA-N 1 3 304.478 3.556 20 0 DHADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC001181536133 1035934371 /nfs/dbraw/zinc/93/43/71/1035934371.db2.gz YBHJRCRQDAZXTP-SJLPKXTDSA-N 1 3 304.478 3.556 20 0 DHADHO COc1ccc([C@@H]2CCC[N@@H+]2CCCN2CCCCC2)cc1 ZINC000195632266 1035936059 /nfs/dbraw/zinc/93/60/59/1035936059.db2.gz DELMTXRKZKXWST-IBGZPJMESA-N 1 3 302.462 3.708 20 0 DHADHO COc1ccc([C@@H]2CCC[N@H+]2CCCN2CCCCC2)cc1 ZINC000195632266 1035936071 /nfs/dbraw/zinc/93/60/71/1035936071.db2.gz DELMTXRKZKXWST-IBGZPJMESA-N 1 3 302.462 3.708 20 0 DHADHO CN(CCCc1c(Cl)cccc1Cl)CCC[NH+](C)C ZINC001181555763 1035938077 /nfs/dbraw/zinc/93/80/77/1035938077.db2.gz NWTKEFPMWKOJKH-UHFFFAOYSA-N 1 3 303.277 3.810 20 0 DHADHO CC(C)Oc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1 ZINC000540363055 1036052469 /nfs/dbraw/zinc/05/24/69/1036052469.db2.gz MSSVHFVNQYSAFX-SJLPKXTDSA-N 1 3 304.478 3.999 20 0 DHADHO [NH3+]CCC1CCN(CCc2c(Cl)cccc2Cl)CC1 ZINC001206500953 1036243285 /nfs/dbraw/zinc/24/32/85/1036243285.db2.gz WVQJWDJXNCSPQE-UHFFFAOYSA-N 1 3 301.261 3.597 20 0 DHADHO C[NH+](C)CCC1CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000541774315 1036429575 /nfs/dbraw/zinc/42/95/75/1036429575.db2.gz SUJLULSXYMHMKS-ONEGZZNKSA-N 1 3 308.416 3.642 20 0 DHADHO COc1ccc(CN2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c(C)c1 ZINC001183065001 1036515473 /nfs/dbraw/zinc/51/54/73/1036515473.db2.gz CEHFLEPDHTZJDN-VQIMIIECSA-N 1 3 304.478 3.556 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@H]2CCCS2)CC1 ZINC001183123968 1036520267 /nfs/dbraw/zinc/52/02/67/1036520267.db2.gz OSVNESILUQFHSD-KBAYOESNSA-N 1 3 310.551 3.905 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@@H]2CCCS2)CC1 ZINC001183123966 1036520730 /nfs/dbraw/zinc/52/07/30/1036520730.db2.gz OSVNESILUQFHSD-BPQIPLTHSA-N 1 3 310.551 3.905 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000492425396 1036871422 /nfs/dbraw/zinc/87/14/22/1036871422.db2.gz ROWHVHBQBDGMFE-IJEWVQPXSA-N 1 3 314.395 3.685 20 0 DHADHO C[NH+](C)CCCC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488353747 1036979686 /nfs/dbraw/zinc/97/96/86/1036979686.db2.gz KNXTXAQZJCEWBE-UHFFFAOYSA-N 1 3 317.452 3.861 20 0 DHADHO COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000237254577 1037001516 /nfs/dbraw/zinc/00/15/16/1037001516.db2.gz VPFREAGWHSQUKK-ROUUACIJSA-N 1 3 318.505 3.728 20 0 DHADHO Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309730071 1037177236 /nfs/dbraw/zinc/17/72/36/1037177236.db2.gz RIFNGKINBNYEQU-NQIIRXRSSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccccc1CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309730071 1037177249 /nfs/dbraw/zinc/17/72/49/1037177249.db2.gz RIFNGKINBNYEQU-NQIIRXRSSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccccc1CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309730071 1037177261 /nfs/dbraw/zinc/17/72/61/1037177261.db2.gz RIFNGKINBNYEQU-NQIIRXRSSA-N 1 3 308.469 3.995 20 0 DHADHO CC[C@H](C)CN1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001201503799 1037723161 /nfs/dbraw/zinc/72/31/61/1037723161.db2.gz RZRFNFKPVXIARH-HNNXBMFYSA-N 1 3 319.493 3.768 20 0 DHADHO CC[C@H](C)CN1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001201503799 1037723174 /nfs/dbraw/zinc/72/31/74/1037723174.db2.gz RZRFNFKPVXIARH-HNNXBMFYSA-N 1 3 319.493 3.768 20 0 DHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC001201673813 1037827195 /nfs/dbraw/zinc/82/71/95/1037827195.db2.gz PVBHSDCESCDXML-PMACEKPBSA-N 1 3 300.490 3.958 20 0 DHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCCc1ccccc1 ZINC001201673813 1037827220 /nfs/dbraw/zinc/82/72/20/1037827220.db2.gz PVBHSDCESCDXML-PMACEKPBSA-N 1 3 300.490 3.958 20 0 DHADHO COC1(CNC2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000186515027 1037910114 /nfs/dbraw/zinc/91/01/14/1037910114.db2.gz HWLQZVGPEVUOIE-UHFFFAOYSA-N 1 3 308.510 3.722 20 0 DHADHO COC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000186515027 1037910129 /nfs/dbraw/zinc/91/01/29/1037910129.db2.gz HWLQZVGPEVUOIE-UHFFFAOYSA-N 1 3 308.510 3.722 20 0 DHADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000125954751 1037993532 /nfs/dbraw/zinc/99/35/32/1037993532.db2.gz QMKLBTVAWSDDAK-OXJNMPFZSA-N 1 3 316.489 3.783 20 0 DHADHO C[C@H](C[NH2+][C@H]1Cc2ccc(Cl)cc2C1)CN1CCCCC1 ZINC000126617303 1038083370 /nfs/dbraw/zinc/08/33/70/1038083370.db2.gz HMTJKIMISHENRY-KDOFPFPSSA-N 1 3 306.881 3.519 20 0 DHADHO Clc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000127699053 1038209223 /nfs/dbraw/zinc/20/92/23/1038209223.db2.gz KUKZVBWGQMIMNN-HUUCEWRRSA-N 1 3 313.272 3.752 20 0 DHADHO Clc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000127699053 1038209238 /nfs/dbraw/zinc/20/92/38/1038209238.db2.gz KUKZVBWGQMIMNN-HUUCEWRRSA-N 1 3 313.272 3.752 20 0 DHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2n[nH]c3ccccc23)c1 ZINC000589646208 1038526804 /nfs/dbraw/zinc/52/68/04/1038526804.db2.gz NMQWNPMLTSOQES-UHFFFAOYSA-N 1 3 322.456 3.693 20 0 DHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2n[nH]c3ccccc23)c1 ZINC000589646208 1038526812 /nfs/dbraw/zinc/52/68/12/1038526812.db2.gz NMQWNPMLTSOQES-UHFFFAOYSA-N 1 3 322.456 3.693 20 0 DHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2[nH]nc3ccccc32)c1 ZINC000589646208 1038526816 /nfs/dbraw/zinc/52/68/16/1038526816.db2.gz NMQWNPMLTSOQES-UHFFFAOYSA-N 1 3 322.456 3.693 20 0 DHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2[nH]nc3ccccc32)c1 ZINC000589646208 1038526828 /nfs/dbraw/zinc/52/68/28/1038526828.db2.gz NMQWNPMLTSOQES-UHFFFAOYSA-N 1 3 322.456 3.693 20 0 DHADHO CC(C)CC1(C)CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000573361317 1038905951 /nfs/dbraw/zinc/90/59/51/1038905951.db2.gz XEFQFXFSERLRKR-UHFFFAOYSA-N 1 3 323.569 3.551 20 0 DHADHO C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000608510648 1040535385 /nfs/dbraw/zinc/53/53/85/1040535385.db2.gz NPBJCMPILINYNV-IBGZPJMESA-N 1 3 312.432 3.780 20 0 DHADHO C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000608510648 1040535405 /nfs/dbraw/zinc/53/54/05/1040535405.db2.gz NPBJCMPILINYNV-IBGZPJMESA-N 1 3 312.432 3.780 20 0 DHADHO CCSCC[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000597227673 1040694527 /nfs/dbraw/zinc/69/45/27/1040694527.db2.gz AHJLGLXKFQEJNG-SFHVURJKSA-N 1 3 318.530 3.631 20 0 DHADHO CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000284424589 536644114 /nfs/dbraw/zinc/64/41/14/536644114.db2.gz OVGCVSZJLGLTLT-XKGZKEIXSA-N 1 3 316.489 3.617 20 0 DHADHO CCN1CC[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000236826252 202028687 /nfs/dbraw/zinc/02/86/87/202028687.db2.gz HKQDYKHQNXDWCZ-HXUWFJFHSA-N 1 3 324.468 3.697 20 0 DHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CCOC2(C)C)C1 ZINC000340183790 131018021 /nfs/dbraw/zinc/01/80/21/131018021.db2.gz FOBLSAYAGNAULC-APWZRJJASA-N 1 3 316.489 3.576 20 0 DHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CCOC2(C)C)C1 ZINC000340183790 131018023 /nfs/dbraw/zinc/01/80/23/131018023.db2.gz FOBLSAYAGNAULC-APWZRJJASA-N 1 3 316.489 3.576 20 0 DHADHO C[C@H](NCCCC[NH+](C)C)c1ccc(Oc2ccccc2)cn1 ZINC000297788007 132033828 /nfs/dbraw/zinc/03/38/28/132033828.db2.gz PWNUTZOGAJAWSP-INIZCTEOSA-N 1 3 313.445 3.866 20 0 DHADHO CC[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1nc(C)cs1 ZINC000298237978 132052145 /nfs/dbraw/zinc/05/21/45/132052145.db2.gz BYOSGWOLVPXDJS-MRXNPFEDSA-N 1 3 316.474 3.556 20 0 DHADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1nc2ccccc2n1C ZINC000119958056 132138654 /nfs/dbraw/zinc/13/86/54/132138654.db2.gz CUTBYXBJHYQNGX-JKSUJKDBSA-N 1 3 316.493 3.734 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000556872997 331745915 /nfs/dbraw/zinc/74/59/15/331745915.db2.gz SXAFTJJHCRIBJL-KBRIMQKVSA-N 1 3 310.432 3.748 20 0 DHADHO c1ccc(C[NH+]2CCCC2)c(CNc2ccnc3ccccc32)c1 ZINC000558061752 331847808 /nfs/dbraw/zinc/84/78/08/331847808.db2.gz HUOTXFYMLCFPSD-UHFFFAOYSA-N 1 3 317.436 3.865 20 0 DHADHO C[NH2+]CC1CCN([C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000262036395 331879324 /nfs/dbraw/zinc/87/93/24/331879324.db2.gz ZPYBBCBLQQPVHM-LBPRGKRZSA-N 1 3 316.367 3.578 20 0 DHADHO C[NH2+]CC1CCN([C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000262036391 331879330 /nfs/dbraw/zinc/87/93/30/331879330.db2.gz ZPYBBCBLQQPVHM-GFCCVEGCSA-N 1 3 316.367 3.578 20 0 DHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccc2cccnc21 ZINC000261750346 331958582 /nfs/dbraw/zinc/95/85/82/331958582.db2.gz OVHHIWVDJBPYAP-LPHOPBHVSA-N 1 3 311.473 3.678 20 0 DHADHO CCc1ccc(CN2CCC(CCC[NH+](CC)CC)CC2)nc1 ZINC000580099643 332940146 /nfs/dbraw/zinc/94/01/46/332940146.db2.gz OAQBRTPJADIALE-UHFFFAOYSA-N 1 3 317.521 3.978 20 0 DHADHO CN(C)Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000409533752 332036359 /nfs/dbraw/zinc/03/63/59/332036359.db2.gz IJLMVAPFOZOAFH-UHFFFAOYSA-N 1 3 302.849 3.734 20 0 DHADHO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1cccc(OCCN(C)C)c1 ZINC000566222446 332256485 /nfs/dbraw/zinc/25/64/85/332256485.db2.gz YCKSREIXEXJHDR-XIRDDKMYSA-N 1 3 308.441 3.558 20 0 DHADHO CCCN(CC)C[C@@H](C)[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000559854756 332285442 /nfs/dbraw/zinc/28/54/42/332285442.db2.gz LEMVHNMMLVXZAC-YZGWKJHDSA-N 1 3 317.521 3.532 20 0 DHADHO COC[C@H](NCCCCC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000559891778 332289923 /nfs/dbraw/zinc/28/99/23/332289923.db2.gz TZGOEQREKDLHHM-SFHVURJKSA-N 1 3 324.896 3.883 20 0 DHADHO COc1cc(CC[NH2+]C2CCN(C(C)(C)C)CC2)ccc1Cl ZINC000559917936 332292848 /nfs/dbraw/zinc/29/28/48/332292848.db2.gz YNHXHXZAKCVDOC-UHFFFAOYSA-N 1 3 324.896 3.744 20 0 DHADHO COc1cc(CCNC2CC[NH+](C(C)(C)C)CC2)ccc1Cl ZINC000559917936 332292850 /nfs/dbraw/zinc/29/28/50/332292850.db2.gz YNHXHXZAKCVDOC-UHFFFAOYSA-N 1 3 324.896 3.744 20 0 DHADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2csc3ccccc23)C1 ZINC000580259495 333043371 /nfs/dbraw/zinc/04/33/71/333043371.db2.gz KIWZFPZWDDUDFF-PBHICJAKSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2csc3ccccc23)C1 ZINC000580259495 333043372 /nfs/dbraw/zinc/04/33/72/333043372.db2.gz KIWZFPZWDDUDFF-PBHICJAKSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2csc3ccccc23)C1 ZINC000580259495 333043373 /nfs/dbraw/zinc/04/33/73/333043373.db2.gz KIWZFPZWDDUDFF-PBHICJAKSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2csc3ccccc23)C1 ZINC000580259495 333043374 /nfs/dbraw/zinc/04/33/74/333043374.db2.gz KIWZFPZWDDUDFF-PBHICJAKSA-N 1 3 300.471 3.817 20 0 DHADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000181751708 333064458 /nfs/dbraw/zinc/06/44/58/333064458.db2.gz FUMMVBUIVZMECW-MJGOQNOKSA-N 1 3 301.478 3.856 20 0 DHADHO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000582029554 333174122 /nfs/dbraw/zinc/17/41/22/333174122.db2.gz AROQIBQXTNQITQ-JOFJXJOBSA-N 1 3 324.390 3.602 20 0 DHADHO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000582029554 333174124 /nfs/dbraw/zinc/17/41/24/333174124.db2.gz AROQIBQXTNQITQ-JOFJXJOBSA-N 1 3 324.390 3.602 20 0 DHADHO CCC[NH+]1CCC(CN[C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000582114934 333287833 /nfs/dbraw/zinc/28/78/33/333287833.db2.gz OTUONFJGFLPZEF-SFHVURJKSA-N 1 3 324.896 3.739 20 0 DHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCCOCc1ccccc1 ZINC000390601736 333305948 /nfs/dbraw/zinc/30/59/48/333305948.db2.gz XQAKOYWMHUSMQX-AZUAARDMSA-N 1 3 318.505 3.884 20 0 DHADHO COc1ccc([C@H](NCCCC[NH+](C)C)c2ccccc2)cc1 ZINC000390628349 333308004 /nfs/dbraw/zinc/30/80/04/333308004.db2.gz ILXUCIWAXZWIBP-HXUWFJFHSA-N 1 3 312.457 3.716 20 0 DHADHO C[NH+]1CCC(CCNCc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000323450745 333309004 /nfs/dbraw/zinc/30/90/04/333309004.db2.gz UNRKUFJTWNWXQZ-UHFFFAOYSA-N 1 3 316.420 3.907 20 0 DHADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000390680915 333314731 /nfs/dbraw/zinc/31/47/31/333314731.db2.gz VUANSVAQLQWXDL-LVQVYYBASA-N 1 3 300.437 3.712 20 0 DHADHO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000390680915 333314732 /nfs/dbraw/zinc/31/47/32/333314732.db2.gz VUANSVAQLQWXDL-LVQVYYBASA-N 1 3 300.437 3.712 20 0 DHADHO CC[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)[C@H]1C[C@H]1C ZINC000414085775 333893773 /nfs/dbraw/zinc/89/37/73/333893773.db2.gz YUTCNCIWIZCUIP-JLSDUUJJSA-N 1 3 306.519 3.984 20 0 DHADHO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000414539977 334012996 /nfs/dbraw/zinc/01/29/96/334012996.db2.gz SZLKLRLQLOHTJQ-ROUUACIJSA-N 1 3 301.478 3.855 20 0 DHADHO Cc1cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414663547 334061967 /nfs/dbraw/zinc/06/19/67/334061967.db2.gz SKGUPDOZVFGRAK-OCCSQVGLSA-N 1 3 300.368 3.573 20 0 DHADHO COc1cc(-c2ccccc2)ccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000414663522 334061981 /nfs/dbraw/zinc/06/19/81/334061981.db2.gz BFERZCGYFJRDAJ-DFQSSKMNSA-N 1 3 322.452 3.531 20 0 DHADHO C[C@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c2ccccc21 ZINC000343531779 335175443 /nfs/dbraw/zinc/17/54/43/335175443.db2.gz OGSYIPSOWXKMGI-TVKQPGBESA-N 1 3 316.489 3.714 20 0 DHADHO FC(F)(F)c1cccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414781190 334093571 /nfs/dbraw/zinc/09/35/71/334093571.db2.gz MRKMJCWPXVEMCI-GJZGRUSLSA-N 1 3 312.379 3.527 20 0 DHADHO CC(C)[C@@H]([NH3+])CNCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414800662 334101834 /nfs/dbraw/zinc/10/18/34/334101834.db2.gz SNUHTCUTVPIEPI-IBGZPJMESA-N 1 3 318.411 3.670 20 0 DHADHO CC(C)(N)C[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414803180 334102444 /nfs/dbraw/zinc/10/24/44/334102444.db2.gz LVJIAQABQDSNOL-TWGQIWQCSA-N 1 3 310.441 3.606 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2NC[C@@H]([NH3+])C(C)C)cc1 ZINC000414804269 334103797 /nfs/dbraw/zinc/10/37/97/334103797.db2.gz XCRILPLAUAZQOP-OTWHNJEPSA-N 1 3 304.478 3.683 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414817193 334107097 /nfs/dbraw/zinc/10/70/97/334107097.db2.gz AEUJEAWLLQVTKZ-NFAWXSAZSA-N 1 3 314.395 3.614 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414817193 334107098 /nfs/dbraw/zinc/10/70/98/334107098.db2.gz AEUJEAWLLQVTKZ-NFAWXSAZSA-N 1 3 314.395 3.614 20 0 DHADHO C[C@@H]([NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)[C@H]1CCCNC1 ZINC000414853573 334127058 /nfs/dbraw/zinc/12/70/58/334127058.db2.gz LBTWPHBOECPVPM-ZRSLWSEBSA-N 1 3 300.490 3.937 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000414852646 334127157 /nfs/dbraw/zinc/12/71/57/334127157.db2.gz KFERXEZAGOBOIG-NEPJUHHUSA-N 1 3 301.261 3.514 20 0 DHADHO Cc1cc(Cl)cc(C)c1CNCCC[NH2+]Cc1cccnc1 ZINC000414876154 334146254 /nfs/dbraw/zinc/14/62/54/334146254.db2.gz KCNNUFXDYGNMHF-UHFFFAOYSA-N 1 3 317.864 3.621 20 0 DHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414901540 334165488 /nfs/dbraw/zinc/16/54/88/334165488.db2.gz GDJNWIJWEHZANN-BBRMVZONSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414901540 334165489 /nfs/dbraw/zinc/16/54/89/334165489.db2.gz GDJNWIJWEHZANN-BBRMVZONSA-N 1 3 314.395 3.616 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000414922079 334182405 /nfs/dbraw/zinc/18/24/05/334182405.db2.gz GGPKWWKGGXGKBS-ZULIPRJHSA-N 1 3 316.489 3.969 20 0 DHADHO C[C@H]1CNCC[C@H]1[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414930338 334193940 /nfs/dbraw/zinc/19/39/40/334193940.db2.gz ANBPRYYMAUQEFQ-XJKSGUPXSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000293684550 334200882 /nfs/dbraw/zinc/20/08/82/334200882.db2.gz RQEMBXUKBFKWRB-SOLBZPMBSA-N 1 3 316.489 3.566 20 0 DHADHO C[C@@H](C[NH2+]C1(C)CCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414947577 334205565 /nfs/dbraw/zinc/20/55/65/334205565.db2.gz WUDCZNKAVFKBJT-LBPRGKRZSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@@H](CNC1(C)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414947577 334205567 /nfs/dbraw/zinc/20/55/67/334205567.db2.gz WUDCZNKAVFKBJT-LBPRGKRZSA-N 1 3 300.368 3.541 20 0 DHADHO Cc1ccc(-c2ccc(C[NH2+]C3(C)CCNCC3)s2)cc1 ZINC000414946891 334206211 /nfs/dbraw/zinc/20/62/11/334206211.db2.gz UVDFCNRGLDJFOW-UHFFFAOYSA-N 1 3 300.471 3.955 20 0 DHADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCN1 ZINC000414955766 334208164 /nfs/dbraw/zinc/20/81/64/334208164.db2.gz UOGRZDLIKDXPKY-SWLSCSKDSA-N 1 3 304.434 3.784 20 0 DHADHO c1ccc2cc(OCCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000415082450 334273224 /nfs/dbraw/zinc/27/32/24/334273224.db2.gz LSOFFGAKWSQOMV-NJYVYQBISA-N 1 3 324.468 3.729 20 0 DHADHO Clc1ccc(OCC2CC2)c(CNCCC[C@H]2CCC[NH2+]2)c1 ZINC000414969248 334218123 /nfs/dbraw/zinc/21/81/23/334218123.db2.gz SRRRGEVUEGTMBS-KRWDZBQOSA-N 1 3 322.880 3.751 20 0 DHADHO COc1c(Cl)cc(Cl)cc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414976831 334222768 /nfs/dbraw/zinc/22/27/68/334222768.db2.gz QKMSCQKFBOBXBW-CYBMUJFWSA-N 1 3 317.260 3.624 20 0 DHADHO C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414992006 334230835 /nfs/dbraw/zinc/23/08/35/334230835.db2.gz BKUYVSOMYPVIJF-WQCNXYOZSA-N 1 3 304.453 3.687 20 0 DHADHO Cc1ccsc1CNC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415002267 334240436 /nfs/dbraw/zinc/24/04/36/334240436.db2.gz LVALEGHZMIDPPI-DOTOQJQBSA-N 1 3 318.461 3.679 20 0 DHADHO Cc1ccsc1C[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415002267 334240437 /nfs/dbraw/zinc/24/04/37/334240437.db2.gz LVALEGHZMIDPPI-DOTOQJQBSA-N 1 3 318.461 3.679 20 0 DHADHO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415012820 334258245 /nfs/dbraw/zinc/25/82/45/334258245.db2.gz XORKZSAXKOSCMU-UCLAIMLFSA-N 1 3 304.453 3.687 20 0 DHADHO C[C@H](CCC[NH3+])NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000415018530 334258984 /nfs/dbraw/zinc/25/89/84/334258984.db2.gz HBUXTOQNQTYEGB-GFCCVEGCSA-N 1 3 315.442 3.773 20 0 DHADHO c1cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000415041740 334260897 /nfs/dbraw/zinc/26/08/97/334260897.db2.gz LQNRRDRNHHJZIM-NHCUHLMSSA-N 1 3 321.468 3.713 20 0 DHADHO [NH3+]C[C@@H]1CC[C@H](NCc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000415048241 334261536 /nfs/dbraw/zinc/26/15/36/334261536.db2.gz WRKBASRMYAFDTO-CJNGLKHVSA-N 1 3 322.880 3.878 20 0 DHADHO [NH3+]CCC[C@H](NCc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000415056292 334261615 /nfs/dbraw/zinc/26/16/15/334261615.db2.gz PTVYIFFVLKCYDC-KRWDZBQOSA-N 1 3 320.383 3.858 20 0 DHADHO COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000415053348 334261839 /nfs/dbraw/zinc/26/18/39/334261839.db2.gz JQZSPCDYOXNVKP-IIBYNOLFSA-N 1 3 324.468 3.779 20 0 DHADHO COc1ccccc1-c1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000415053348 334261841 /nfs/dbraw/zinc/26/18/41/334261841.db2.gz JQZSPCDYOXNVKP-IIBYNOLFSA-N 1 3 324.468 3.779 20 0 DHADHO COc1ccccc1-c1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415053348 334261843 /nfs/dbraw/zinc/26/18/43/334261843.db2.gz JQZSPCDYOXNVKP-IIBYNOLFSA-N 1 3 324.468 3.779 20 0 DHADHO C[C@H](CN1C[C@@H](C)[C@](C)(C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415060498 334261943 /nfs/dbraw/zinc/26/19/43/334261943.db2.gz UPGPBOWUZZGVII-XJKCOSOUSA-N 1 3 314.395 3.726 20 0 DHADHO CCCCN1CCC([NH2+]Cc2ccc3nc(C)ccc3c2)CC1 ZINC000187640160 334266562 /nfs/dbraw/zinc/26/65/62/334266562.db2.gz LUHWIIYFLBGKBL-UHFFFAOYSA-N 1 3 311.473 3.897 20 0 DHADHO CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H]2CCCNCC2)cc1 ZINC000415078512 334270349 /nfs/dbraw/zinc/27/03/49/334270349.db2.gz ITGFGUCVKLVYCM-GOSISDBHSA-N 1 3 318.505 3.731 20 0 DHADHO CC(C)COc1ccc(C(C)(C)CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000415078512 334270351 /nfs/dbraw/zinc/27/03/51/334270351.db2.gz ITGFGUCVKLVYCM-GOSISDBHSA-N 1 3 318.505 3.731 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000415079126 334270479 /nfs/dbraw/zinc/27/04/79/334270479.db2.gz HPPHABUPQDAUJC-GUDVDZBRSA-N 1 3 300.490 3.766 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000415080915 334271347 /nfs/dbraw/zinc/27/13/47/334271347.db2.gz MIQARLLIXNZITJ-ZTFGCOKTSA-N 1 3 304.453 3.614 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415128857 334285377 /nfs/dbraw/zinc/28/53/77/334285377.db2.gz OJUUVVBLCXRVEH-QFBILLFUSA-N 1 3 324.468 3.779 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)NCCC[NH+](C)C ZINC000531932191 334296648 /nfs/dbraw/zinc/29/66/48/334296648.db2.gz HSLYHNNQOHKMMS-KRWDZBQOSA-N 1 3 302.487 3.882 20 0 DHADHO CCOc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000535083049 334366473 /nfs/dbraw/zinc/36/64/73/334366473.db2.gz JCEFGEXFWUKOEO-UHFFFAOYSA-N 1 3 304.478 3.638 20 0 DHADHO CCOc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000535083049 334366475 /nfs/dbraw/zinc/36/64/75/334366475.db2.gz JCEFGEXFWUKOEO-UHFFFAOYSA-N 1 3 304.478 3.638 20 0 DHADHO Cc1ccc2nccc(N3CCC([NH+]4CCCCC4)CC3)c2c1 ZINC000443444085 338451724 /nfs/dbraw/zinc/45/17/24/338451724.db2.gz OEOKCFPNHNOBBE-UHFFFAOYSA-N 1 3 309.457 3.998 20 0 DHADHO Cc1ccc2cc(CNCc3ccc(C[NH+](C)C)cc3)ccc2n1 ZINC000189235557 334886654 /nfs/dbraw/zinc/88/66/54/334886654.db2.gz FDXQWKAVHVMRGW-UHFFFAOYSA-N 1 3 319.452 3.895 20 0 DHADHO Oc1ccc(C2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000343634758 335183351 /nfs/dbraw/zinc/18/33/51/335183351.db2.gz UKJWGNMRAKPQCG-SOTJZCEJSA-N 1 3 314.473 3.635 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344116868 335218374 /nfs/dbraw/zinc/21/83/74/335218374.db2.gz XJPPICXVJJGWJC-KXBFYZLASA-N 1 3 304.453 3.913 20 0 DHADHO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(CN(C)C)c2)C12CCCC2 ZINC000344106427 335223669 /nfs/dbraw/zinc/22/36/69/335223669.db2.gz JXNLZZHWZDDNRZ-OALUTQOASA-N 1 3 316.489 3.576 20 0 DHADHO CC[N@@H+]1CC[C@@H](NCc2cccc(-c3cccnc3)c2)[C@H](C)C1 ZINC000344527161 335255396 /nfs/dbraw/zinc/25/53/96/335255396.db2.gz AORNAIVHTHJGCE-OXQOHEQNSA-N 1 3 309.457 3.569 20 0 DHADHO CC[N@H+]1CC[C@@H](NCc2cccc(-c3cccnc3)c2)[C@H](C)C1 ZINC000344527161 335255397 /nfs/dbraw/zinc/25/53/97/335255397.db2.gz AORNAIVHTHJGCE-OXQOHEQNSA-N 1 3 309.457 3.569 20 0 DHADHO CCN(Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345191166 335306474 /nfs/dbraw/zinc/30/64/74/335306474.db2.gz QXKWCCQCDXTWHA-OAHLLOKOSA-N 1 3 300.368 3.669 20 0 DHADHO C[C@H]([NH3+])C1CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC000347102606 335470811 /nfs/dbraw/zinc/47/08/11/335470811.db2.gz MPWDKJKHBQWFMA-KRWDZBQOSA-N 1 3 324.468 3.825 20 0 DHADHO Fc1cccc([C@H]2C[C@H](NC3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000582219476 336019360 /nfs/dbraw/zinc/01/93/60/336019360.db2.gz QIPVZSRRFKHPFB-RUCARUNLSA-N 1 3 302.437 3.536 20 0 DHADHO Cc1ccc(C)n1C1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351638943 336053995 /nfs/dbraw/zinc/05/39/95/336053995.db2.gz NVTMETPZQVZXDR-GOSISDBHSA-N 1 3 303.494 3.616 20 0 DHADHO Cc1ccc(C)n1C1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351638943 336053997 /nfs/dbraw/zinc/05/39/97/336053997.db2.gz NVTMETPZQVZXDR-GOSISDBHSA-N 1 3 303.494 3.616 20 0 DHADHO CCc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000352744179 336234357 /nfs/dbraw/zinc/23/43/57/336234357.db2.gz YVNCNHJDEJRVTO-YLJYHZDGSA-N 1 3 323.484 3.644 20 0 DHADHO Fc1cc(F)cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192926763 336284447 /nfs/dbraw/zinc/28/44/47/336284447.db2.gz MEJJURCTHAAUHG-INIZCTEOSA-N 1 3 316.395 3.577 20 0 DHADHO CCOc1ccccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192924285 336284610 /nfs/dbraw/zinc/28/46/10/336284610.db2.gz KWGVKLQUWDMNFK-IBGZPJMESA-N 1 3 324.468 3.697 20 0 DHADHO Cc1ccc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192933934 336285216 /nfs/dbraw/zinc/28/52/16/336285216.db2.gz LYDKTPPZLXSJFJ-QGZVFWFLSA-N 1 3 300.471 3.668 20 0 DHADHO Cc1ccc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000192933934 336285217 /nfs/dbraw/zinc/28/52/17/336285217.db2.gz LYDKTPPZLXSJFJ-QGZVFWFLSA-N 1 3 300.471 3.668 20 0 DHADHO CCCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2n1 ZINC000301776372 336328971 /nfs/dbraw/zinc/32/89/71/336328971.db2.gz GSOAUOJDMJZWBF-SJORKVTESA-N 1 3 309.457 3.860 20 0 DHADHO CCCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2n1 ZINC000301776372 336328972 /nfs/dbraw/zinc/32/89/72/336328972.db2.gz GSOAUOJDMJZWBF-SJORKVTESA-N 1 3 309.457 3.860 20 0 DHADHO CC(C)=CCC[C@@H](C)CC[NH+]1CCC(OCCN(C)C)CC1 ZINC000360957371 336729597 /nfs/dbraw/zinc/72/95/97/336729597.db2.gz MEGRNLLWMCIFEU-GOSISDBHSA-N 1 3 310.526 3.802 20 0 DHADHO FC(F)c1ccc(C[C@@H]2CCN(CCC[NH+]3CCCC3)C2)cc1 ZINC000375159833 337004820 /nfs/dbraw/zinc/00/48/20/337004820.db2.gz NFGHEEQCZYQMRA-KRWDZBQOSA-N 1 3 322.443 3.975 20 0 DHADHO CC(C)n1nccc1CNC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000375669888 337016173 /nfs/dbraw/zinc/01/61/73/337016173.db2.gz WVVDMQGHLOYYPP-UHFFFAOYSA-N 1 3 318.509 3.597 20 0 DHADHO COCCC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000122947262 337030819 /nfs/dbraw/zinc/03/08/19/337030819.db2.gz WDOMIPMFMVTKLK-UHFFFAOYSA-N 1 3 308.510 3.580 20 0 DHADHO c1cc2c(cccc2CC[NH2+]C2CCN(C3CCCC3)CC2)[nH]1 ZINC000376987300 337044758 /nfs/dbraw/zinc/04/47/58/337044758.db2.gz WMVZGSPUIQXDCB-UHFFFAOYSA-N 1 3 311.473 3.707 20 0 DHADHO c1cc2c(cccc2CCNC2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000376987300 337044759 /nfs/dbraw/zinc/04/47/59/337044759.db2.gz WMVZGSPUIQXDCB-UHFFFAOYSA-N 1 3 311.473 3.707 20 0 DHADHO CN(C)Cc1cccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000377121614 337047193 /nfs/dbraw/zinc/04/71/93/337047193.db2.gz WJNLARLHTSEXDC-FPOVZHCZSA-N 1 3 323.484 3.959 20 0 DHADHO COC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCCC1 ZINC000377391067 337051785 /nfs/dbraw/zinc/05/17/85/337051785.db2.gz LJPRMYQEZZNQMI-LJQANCHMSA-N 1 3 308.510 3.578 20 0 DHADHO COC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC000377391067 337051786 /nfs/dbraw/zinc/05/17/86/337051786.db2.gz LJPRMYQEZZNQMI-LJQANCHMSA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)C[C@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CCO1 ZINC000378473149 337073744 /nfs/dbraw/zinc/07/37/44/337073744.db2.gz HWEKCXOFCWSGLS-MJGOQNOKSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](NCC1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000178752835 337164965 /nfs/dbraw/zinc/16/49/65/337164965.db2.gz RICXBXHTOXQCPZ-AWEZNQCLSA-N 1 3 315.486 3.803 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2[C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000582932604 337216013 /nfs/dbraw/zinc/21/60/13/337216013.db2.gz KODCJMLLUGYMEY-PMXSJFBMSA-N 1 3 312.501 3.913 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2[C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000582932604 337216014 /nfs/dbraw/zinc/21/60/14/337216014.db2.gz KODCJMLLUGYMEY-PMXSJFBMSA-N 1 3 312.501 3.913 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H]2CN(C)CC[C@H]21 ZINC000583170608 337250938 /nfs/dbraw/zinc/25/09/38/337250938.db2.gz FONCQUWJUPCEOS-HHXXYDBFSA-N 1 3 304.453 3.563 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H]2CN(C)CC[C@H]21 ZINC000583170608 337250939 /nfs/dbraw/zinc/25/09/39/337250939.db2.gz FONCQUWJUPCEOS-HHXXYDBFSA-N 1 3 304.453 3.563 20 0 DHADHO Cc1nc2c(s1)[C@@H](NCc1cccc(C[NH+](C)C)c1)CCC2 ZINC000123689728 337400561 /nfs/dbraw/zinc/40/05/61/337400561.db2.gz UMQGTWUFRRFIDH-INIZCTEOSA-N 1 3 315.486 3.680 20 0 DHADHO C1CCC2(C1)C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CCO2 ZINC000127052902 337418917 /nfs/dbraw/zinc/41/89/17/337418917.db2.gz GYUZMGPOGRDFCK-GOSISDBHSA-N 1 3 320.521 3.865 20 0 DHADHO C[C@H](c1cccc(Cl)c1)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420387462 337500516 /nfs/dbraw/zinc/50/05/16/337500516.db2.gz VWGZZNYMRKJCNG-JEBQAFNWSA-N 1 3 322.880 3.619 20 0 DHADHO C[NH+](C)C1CCC(NCc2nc(-c3ccccc3)cs2)CC1 ZINC000421378836 337529039 /nfs/dbraw/zinc/52/90/39/337529039.db2.gz WGIBPTDAJYMGFH-UHFFFAOYSA-N 1 3 315.486 3.773 20 0 DHADHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)s1 ZINC000246987380 337556692 /nfs/dbraw/zinc/55/66/92/337556692.db2.gz KMUPFGKPIIVQSE-DZKIICNBSA-N 1 3 310.507 3.597 20 0 DHADHO Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(CN)nc3C)c21 ZINC000422720610 337684139 /nfs/dbraw/zinc/68/41/39/337684139.db2.gz SUNAHGLQUWKNAR-AWEZNQCLSA-N 1 3 322.456 3.532 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422754771 337685291 /nfs/dbraw/zinc/68/52/91/337685291.db2.gz GDRRSVIUWBEYCK-FGTMMUONSA-N 1 3 304.453 3.614 20 0 DHADHO COc1ccc2cc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422799256 337687107 /nfs/dbraw/zinc/68/71/07/337687107.db2.gz VXVYXPYYGXHKAW-PWRODBHTSA-N 1 3 324.468 3.859 20 0 DHADHO CC(C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422807204 337687532 /nfs/dbraw/zinc/68/75/32/337687532.db2.gz JICHQVUOPJBFGU-LWYYNNOASA-N 1 3 300.490 3.937 20 0 DHADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCCC1 ZINC000422891306 337690187 /nfs/dbraw/zinc/69/01/87/337690187.db2.gz VCVWJNCUXYBKEM-CEXWTWQISA-N 1 3 322.537 3.874 20 0 DHADHO Cc1csc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)n1 ZINC000422908503 337690829 /nfs/dbraw/zinc/69/08/29/337690829.db2.gz MSKFZEZCTUIUCY-GVDBMIGSSA-N 1 3 321.534 3.675 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc2ccccc2c1 ZINC000422943748 337692863 /nfs/dbraw/zinc/69/28/63/337692863.db2.gz KRNWFHNAUXXYLD-OAHLLOKOSA-N 1 3 319.452 3.895 20 0 DHADHO Cc1cccc(-c2cccc(CN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])c2)c1 ZINC000422903944 337693305 /nfs/dbraw/zinc/69/33/05/337693305.db2.gz GCTRBTBTRGMJPP-TYCQWZJGSA-N 1 3 324.468 3.504 20 0 DHADHO C[C@H](NC1CCC([NH3+])CC1)c1nc(-c2ccccc2)cs1 ZINC000422955370 337694763 /nfs/dbraw/zinc/69/47/63/337694763.db2.gz JCIVLXGNYBXMSX-GRTSSRMGSA-N 1 3 301.459 3.731 20 0 DHADHO Cc1oc2ccccc2c1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423054833 337697272 /nfs/dbraw/zinc/69/72/72/337697272.db2.gz VGGONUVGQFSNPW-OTWHNJEPSA-N 1 3 312.457 3.794 20 0 DHADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)c1ccc(C(F)(F)F)cc1 ZINC000423068652 337698074 /nfs/dbraw/zinc/69/80/74/337698074.db2.gz KJFARHGUPSSXES-IUODEOHRSA-N 1 3 314.395 3.700 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423128340 337700769 /nfs/dbraw/zinc/70/07/69/337700769.db2.gz VRYBLYAREPLQCN-VBSBHUPXSA-N 1 3 316.489 3.807 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423138297 337701292 /nfs/dbraw/zinc/70/12/92/337701292.db2.gz XPAMXXOVNAAKPC-YEWWUXTCSA-N 1 3 313.420 3.585 20 0 DHADHO Fc1cccc2c1CCC[C@@H]2N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423144973 337701546 /nfs/dbraw/zinc/70/15/46/337701546.db2.gz INKWRHGNSQOPDV-XGXHKWSGSA-N 1 3 302.437 3.713 20 0 DHADHO Cc1ccc(F)c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423152826 337701825 /nfs/dbraw/zinc/70/18/25/337701825.db2.gz MNLWDLRLGIETEB-YTQUADARSA-N 1 3 304.453 3.577 20 0 DHADHO Clc1cccc([C@@H]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423169219 337702201 /nfs/dbraw/zinc/70/22/01/337702201.db2.gz VRVIYJJAVGIFCX-KQBLMWHVSA-N 1 3 304.865 3.849 20 0 DHADHO Fc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423170426 337702320 /nfs/dbraw/zinc/70/23/20/337702320.db2.gz LVMKIBVKEWCQQO-WAARBJQMSA-N 1 3 302.437 3.582 20 0 DHADHO FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000423190097 337703077 /nfs/dbraw/zinc/70/30/77/337703077.db2.gz RONZLNHPTMBURO-CZUORRHYSA-N 1 3 312.379 3.683 20 0 DHADHO CC(C)CCOc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423342955 337712960 /nfs/dbraw/zinc/71/29/60/337712960.db2.gz LDYYWTVIBBZLSG-MRXNPFEDSA-N 1 3 302.462 3.682 20 0 DHADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000423352320 337713687 /nfs/dbraw/zinc/71/36/87/337713687.db2.gz ARCIETPPYNLPJF-XJKSGUPXSA-N 1 3 314.395 3.758 20 0 DHADHO Cc1cc([C@@H](N[C@H](C)CCCC[NH3+])c2cccnc2)ccc1F ZINC000423419094 337716659 /nfs/dbraw/zinc/71/66/59/337716659.db2.gz AJTZFHIWSLDTEC-DNVCBOLYSA-N 1 3 315.436 3.726 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)c(F)c1 ZINC000423395771 337718756 /nfs/dbraw/zinc/71/87/56/337718756.db2.gz RXFICSUUXKXOQO-ZMLRMANQSA-N 1 3 315.230 3.509 20 0 DHADHO CC[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1ccccc1Br ZINC000423493727 337722853 /nfs/dbraw/zinc/72/28/53/337722853.db2.gz QXNNKNLZDWJRMZ-HUBLWGQQSA-N 1 3 311.267 3.617 20 0 DHADHO Cc1nc(C)c([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000423497138 337722981 /nfs/dbraw/zinc/72/29/81/337722981.db2.gz GCOLDBYXPJEBED-CJNGLKHVSA-N 1 3 303.475 3.891 20 0 DHADHO CC(C)Cc1ncc(CN2CCC(CCC[NH+](C)C)CC2)s1 ZINC000093688787 337920203 /nfs/dbraw/zinc/92/02/03/337920203.db2.gz QMFZHHVZWXDFIO-UHFFFAOYSA-N 1 3 323.550 3.895 20 0 DHADHO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(OCCN(C)C)cc1 ZINC000429432272 338080849 /nfs/dbraw/zinc/08/08/49/338080849.db2.gz UKEAUMIYLKYJLW-MAUKXSAKSA-N 1 3 302.462 3.610 20 0 DHADHO C[C@H]([NH3+])[C@H]1CCCN(CCCSc2ccccc2Cl)C1 ZINC000430585947 338109234 /nfs/dbraw/zinc/10/92/34/338109234.db2.gz UIRCIGYRCKXNOJ-KBPBESRZSA-N 1 3 312.910 3.881 20 0 DHADHO CSc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432411547 338155255 /nfs/dbraw/zinc/15/52/55/338155255.db2.gz ZBKNKVQTQOXTJH-JKSUJKDBSA-N 1 3 322.518 3.560 20 0 DHADHO CSc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432411547 338155256 /nfs/dbraw/zinc/15/52/56/338155256.db2.gz ZBKNKVQTQOXTJH-JKSUJKDBSA-N 1 3 322.518 3.560 20 0 DHADHO Cc1cc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc(C)c1F ZINC000432431560 338156399 /nfs/dbraw/zinc/15/63/99/338156399.db2.gz WSRVIVGNAYDGOD-SJORKVTESA-N 1 3 322.468 3.594 20 0 DHADHO Cc1cc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc(C)c1F ZINC000432431560 338156400 /nfs/dbraw/zinc/15/64/00/338156400.db2.gz WSRVIVGNAYDGOD-SJORKVTESA-N 1 3 322.468 3.594 20 0 DHADHO CCc1oc2ccccc2c1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000432794606 338168081 /nfs/dbraw/zinc/16/80/81/338168081.db2.gz BWSQGJNCUHCWNZ-HNNXBMFYSA-N 1 3 300.446 3.911 20 0 DHADHO CCc1oc2ccccc2c1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000432794606 338168082 /nfs/dbraw/zinc/16/80/82/338168082.db2.gz BWSQGJNCUHCWNZ-HNNXBMFYSA-N 1 3 300.446 3.911 20 0 DHADHO CSC1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000433097674 338181635 /nfs/dbraw/zinc/18/16/35/338181635.db2.gz ORBYZEXKNLLTCC-DOTOQJQBSA-N 1 3 310.551 3.905 20 0 DHADHO CSC1(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000433097674 338181636 /nfs/dbraw/zinc/18/16/36/338181636.db2.gz ORBYZEXKNLLTCC-DOTOQJQBSA-N 1 3 310.551 3.905 20 0 DHADHO FC1(c2ccccc2)CC[NH+](CCCN2CCCCC2)CC1 ZINC000434498871 338218624 /nfs/dbraw/zinc/21/86/24/338218624.db2.gz JWUAXUSRCCVIJI-UHFFFAOYSA-N 1 3 304.453 3.823 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436274962 338265121 /nfs/dbraw/zinc/26/51/21/338265121.db2.gz NXNZYOHNCKHSCO-XUVXKRRUSA-N 1 3 300.490 3.719 20 0 DHADHO CN(C)Cc1cccc(C[NH2+]CCCCOc2ccccc2)c1 ZINC000437769268 338320629 /nfs/dbraw/zinc/32/06/29/338320629.db2.gz DOIJFUILOAZJCA-UHFFFAOYSA-N 1 3 312.457 3.697 20 0 DHADHO C[C@H](C[NH2+]CCCCOc1ccccc1)CN1CCCCC1 ZINC000438078142 338330134 /nfs/dbraw/zinc/33/01/34/338330134.db2.gz KJLWQXZCEHRTGE-GOSISDBHSA-N 1 3 304.478 3.557 20 0 DHADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000438182892 338335321 /nfs/dbraw/zinc/33/53/21/338335321.db2.gz VCQBYWMAKRLTBB-MSOLQXFVSA-N 1 3 304.478 3.698 20 0 DHADHO FC1(F)CCCC[C@@H]1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000450419979 338399578 /nfs/dbraw/zinc/39/95/78/338399578.db2.gz BHEMFZXLCDNPPH-HZPDHXFCSA-N 1 3 300.437 3.762 20 0 DHADHO c1cc2cccc(C[NH2+]CC3CCN(c4ccncc4)CC3)c2o1 ZINC000449248914 338606574 /nfs/dbraw/zinc/60/65/74/338606574.db2.gz IKXJZFNFKXVFBW-UHFFFAOYSA-N 1 3 321.424 3.834 20 0 DHADHO C[C@@H](CCCO)C[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449409498 338621836 /nfs/dbraw/zinc/62/18/36/338621836.db2.gz ULTJHJKFWQLLGP-INIZCTEOSA-N 1 3 312.542 3.664 20 0 DHADHO CC(C)(C)c1cccc(OCCNC2CC[NH+](C3CC3)CC2)c1 ZINC000459412638 339027722 /nfs/dbraw/zinc/02/77/22/339027722.db2.gz NEHNPWZFLPAULI-UHFFFAOYSA-N 1 3 316.489 3.579 20 0 DHADHO CC(C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459424760 339028395 /nfs/dbraw/zinc/02/83/95/339028395.db2.gz JPKFXCFRVZJBKZ-WMZOPIPTSA-N 1 3 301.478 3.855 20 0 DHADHO Cc1ccc([C@@H](C)C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000459445892 339029729 /nfs/dbraw/zinc/02/97/29/339029729.db2.gz OBCXQBPPUGWKAR-KRWDZBQOSA-N 1 3 309.457 3.752 20 0 DHADHO CC(C)O[C@H]1C[C@@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000459630333 339039245 /nfs/dbraw/zinc/03/92/45/339039245.db2.gz IKOGEECOMOPGDZ-KANFNMMFSA-N 1 3 308.510 3.575 20 0 DHADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000459630333 339039246 /nfs/dbraw/zinc/03/92/46/339039246.db2.gz IKOGEECOMOPGDZ-KANFNMMFSA-N 1 3 308.510 3.575 20 0 DHADHO CCO[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000459632592 339039421 /nfs/dbraw/zinc/03/94/21/339039421.db2.gz LSGZWTYBCXLGKJ-CALCHBBNSA-N 1 3 310.526 3.823 20 0 DHADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)C1 ZINC000459632592 339039422 /nfs/dbraw/zinc/03/94/22/339039422.db2.gz LSGZWTYBCXLGKJ-CALCHBBNSA-N 1 3 310.526 3.823 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(C(F)(F)F)s2)C1 ZINC000459728981 339044740 /nfs/dbraw/zinc/04/47/40/339044740.db2.gz CXZJWGZWJYQXDX-LLVKDONJSA-N 1 3 306.397 3.588 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2ccc(C(F)(F)F)s2)C1 ZINC000459728981 339044741 /nfs/dbraw/zinc/04/47/41/339044741.db2.gz CXZJWGZWJYQXDX-LLVKDONJSA-N 1 3 306.397 3.588 20 0 DHADHO CC(C)(C)O[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000459741583 339045678 /nfs/dbraw/zinc/04/56/78/339045678.db2.gz APOAKXKLFUFKDK-HZPDHXFCSA-N 1 3 310.526 3.821 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCC2CCOCC2)C1 ZINC000463281236 339113147 /nfs/dbraw/zinc/11/31/47/339113147.db2.gz PFXIQGSOXJWQIV-UYAOXDASSA-N 1 3 322.537 3.780 20 0 DHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCC2CCOCC2)C1 ZINC000463281236 339113148 /nfs/dbraw/zinc/11/31/48/339113148.db2.gz PFXIQGSOXJWQIV-UYAOXDASSA-N 1 3 322.537 3.780 20 0 DHADHO CC1CC[NH+](C[C@H]2CCCN(CCCC3CCOCC3)C2)CC1 ZINC000463283552 339113234 /nfs/dbraw/zinc/11/32/34/339113234.db2.gz UMLOVGFHRGGVDZ-FQEVSTJZSA-N 1 3 322.537 3.637 20 0 DHADHO CC1CCN(C[C@H]2CCC[N@H+](CCCC3CCOCC3)C2)CC1 ZINC000463283552 339113235 /nfs/dbraw/zinc/11/32/35/339113235.db2.gz UMLOVGFHRGGVDZ-FQEVSTJZSA-N 1 3 322.537 3.637 20 0 DHADHO CC1CCN(C[C@H]2CCC[N@@H+](CCCC3CCOCC3)C2)CC1 ZINC000463283552 339113236 /nfs/dbraw/zinc/11/32/36/339113236.db2.gz UMLOVGFHRGGVDZ-FQEVSTJZSA-N 1 3 322.537 3.637 20 0 DHADHO C1CCC(N2CCC([NH2+][C@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)C1 ZINC000466347976 339200334 /nfs/dbraw/zinc/20/03/34/339200334.db2.gz UTZAHIHOJBATPY-LNLFQRSKSA-N 1 3 320.521 3.578 20 0 DHADHO CCC[NH+]1CCC(NCCc2c(C)oc3ccccc32)CC1 ZINC000468043461 339252455 /nfs/dbraw/zinc/25/24/55/339252455.db2.gz VZGSONYNPCOSII-UHFFFAOYSA-N 1 3 300.446 3.748 20 0 DHADHO CCCC[N@H+](C)CC1CCN(CCc2ccccc2F)CC1 ZINC000468807602 339271424 /nfs/dbraw/zinc/27/14/24/339271424.db2.gz CKBQWTMXUAZSNH-UHFFFAOYSA-N 1 3 306.469 3.812 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(CCc2ccccc2F)CC1 ZINC000468807602 339271425 /nfs/dbraw/zinc/27/14/25/339271425.db2.gz CKBQWTMXUAZSNH-UHFFFAOYSA-N 1 3 306.469 3.812 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OC(C)(C)C)[C@@H](C)C1 ZINC000469179403 339282175 /nfs/dbraw/zinc/28/21/75/339282175.db2.gz UDGDKACXZMBGPT-WMZOPIPTSA-N 1 3 318.505 3.992 20 0 DHADHO CCc1cccc(C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000469776542 339299063 /nfs/dbraw/zinc/29/90/63/339299063.db2.gz RFHURGMEDPORTR-VQIMIIECSA-N 1 3 300.490 3.992 20 0 DHADHO Cc1ccc(-c2ccc(CN3CC[C@H]([C@H](C)[NH3+])C3)s2)cc1 ZINC000469851844 339302581 /nfs/dbraw/zinc/30/25/81/339302581.db2.gz MOYMXJYNYNRIPE-HOCLYGCPSA-N 1 3 300.471 3.893 20 0 DHADHO C[NH2+]CCC1CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000469854101 339302687 /nfs/dbraw/zinc/30/26/87/339302687.db2.gz LUXYTMPBCHORDR-UHFFFAOYSA-N 1 3 316.489 3.830 20 0 DHADHO CC[NH2+]CC1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000470009168 339308474 /nfs/dbraw/zinc/30/84/74/339308474.db2.gz MYMPTBCBLFOXBD-UHFFFAOYSA-N 1 3 316.489 3.830 20 0 DHADHO CC[C@H](c1ccc(F)cc1)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000472273814 339368476 /nfs/dbraw/zinc/36/84/76/339368476.db2.gz IVFPMDIPDWWGEF-RBUKOAKNSA-N 1 3 322.468 3.710 20 0 DHADHO C[C@H](CCc1ccccc1)C[N@@H+]1CCCC12CCN(C)CC2 ZINC000472608147 339374946 /nfs/dbraw/zinc/37/49/46/339374946.db2.gz HOHPWZQMUKQPSX-GOSISDBHSA-N 1 3 300.490 3.816 20 0 DHADHO C[C@H](CCc1ccccc1)C[N@H+]1CCCC12CCN(C)CC2 ZINC000472608147 339374947 /nfs/dbraw/zinc/37/49/47/339374947.db2.gz HOHPWZQMUKQPSX-GOSISDBHSA-N 1 3 300.490 3.816 20 0 DHADHO C[C@@H](CCc1ccccc1)C[N@@H+]1CCCC12CCN(C)CC2 ZINC000472608150 339374963 /nfs/dbraw/zinc/37/49/63/339374963.db2.gz HOHPWZQMUKQPSX-SFHVURJKSA-N 1 3 300.490 3.816 20 0 DHADHO C[C@@H](CCc1ccccc1)C[N@H+]1CCCC12CCN(C)CC2 ZINC000472608150 339374964 /nfs/dbraw/zinc/37/49/64/339374964.db2.gz HOHPWZQMUKQPSX-SFHVURJKSA-N 1 3 300.490 3.816 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000474039295 339398335 /nfs/dbraw/zinc/39/83/35/339398335.db2.gz SSVOAYPGZPRDKF-GJZGRUSLSA-N 1 3 302.453 3.910 20 0 DHADHO CC[NH+](CC)CC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000482970354 339648753 /nfs/dbraw/zinc/64/87/53/339648753.db2.gz JOOHCNPKQRJUDE-LJQANCHMSA-N 1 3 304.453 3.867 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000506942935 340204112 /nfs/dbraw/zinc/20/41/12/340204112.db2.gz DIYMNVALXALUDR-UHFFFAOYSA-N 1 3 300.446 3.987 20 0 DHADHO CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](CN3CCC(C)CC3)C2)CCO1 ZINC000507803656 340232067 /nfs/dbraw/zinc/23/20/67/340232067.db2.gz LASZGYARDSEHOL-VAMGGRTRSA-N 1 3 322.537 3.636 20 0 DHADHO CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H](CN3CCC(C)CC3)C2)CCO1 ZINC000507803656 340232068 /nfs/dbraw/zinc/23/20/68/340232068.db2.gz LASZGYARDSEHOL-VAMGGRTRSA-N 1 3 322.537 3.636 20 0 DHADHO CC[C@@H]1C[C@H](CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCO1 ZINC000507803656 340232069 /nfs/dbraw/zinc/23/20/69/340232069.db2.gz LASZGYARDSEHOL-VAMGGRTRSA-N 1 3 322.537 3.636 20 0 DHADHO CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](CN3CCC(C)CC3)C2)CCO1 ZINC000507803657 340232211 /nfs/dbraw/zinc/23/22/11/340232211.db2.gz LASZGYARDSEHOL-XUVXKRRUSA-N 1 3 322.537 3.636 20 0 DHADHO CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](CN3CCC(C)CC3)C2)CCO1 ZINC000507803657 340232212 /nfs/dbraw/zinc/23/22/12/340232212.db2.gz LASZGYARDSEHOL-XUVXKRRUSA-N 1 3 322.537 3.636 20 0 DHADHO CC[C@@H]1C[C@@H](CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCO1 ZINC000507803657 340232213 /nfs/dbraw/zinc/23/22/13/340232213.db2.gz LASZGYARDSEHOL-XUVXKRRUSA-N 1 3 322.537 3.636 20 0 DHADHO CCC[N@@H+]1CC[C@H](CNC/C(C)=C/c2ccccc2COC)C1 ZINC000510122344 340289577 /nfs/dbraw/zinc/28/95/77/340289577.db2.gz VQIUBGWCRBXHEI-XCMFGDQWSA-N 1 3 316.489 3.558 20 0 DHADHO CCC[N@H+]1CC[C@H](CNC/C(C)=C/c2ccccc2COC)C1 ZINC000510122344 340289578 /nfs/dbraw/zinc/28/95/78/340289578.db2.gz VQIUBGWCRBXHEI-XCMFGDQWSA-N 1 3 316.489 3.558 20 0 DHADHO COC1CCC(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000513336177 340403075 /nfs/dbraw/zinc/40/30/75/340403075.db2.gz VWHDCZOMQYKGOJ-PYXOFJJQSA-N 1 3 322.537 3.824 20 0 DHADHO Cc1c([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cnn1C(C)C ZINC000191130061 340550457 /nfs/dbraw/zinc/55/04/57/340550457.db2.gz WKEDKYXVZYTCKP-OAHLLOKOSA-N 1 3 314.477 3.685 20 0 DHADHO Clc1ccc2c(c1)CC[C@H]2N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000530244696 340783529 /nfs/dbraw/zinc/78/35/29/340783529.db2.gz MRJUMWZWVOFBFK-XMTFNYHQSA-N 1 3 304.865 3.838 20 0 DHADHO CC(C)=CCC[C@@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124660523 340800255 /nfs/dbraw/zinc/80/02/55/340800255.db2.gz GVUWJERDNIIYAJ-LJQANCHMSA-N 1 3 321.553 3.661 20 0 DHADHO CCc1ccc(CN2CCC(OCC[NH+](CC)CC)CC2)s1 ZINC000539862307 340907516 /nfs/dbraw/zinc/90/75/16/340907516.db2.gz LRUBWFBKOVQFRI-UHFFFAOYSA-N 1 3 324.534 3.633 20 0 DHADHO CC[C@H](C)[C@@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000540190651 340922450 /nfs/dbraw/zinc/92/24/50/340922450.db2.gz JXTMALWDSUDSHD-RBUKOAKNSA-N 1 3 317.521 3.613 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069377591 340956967 /nfs/dbraw/zinc/95/69/67/340956967.db2.gz XVWAOORPVISIPO-LSDHHAIUSA-N 1 3 306.416 3.819 20 0 DHADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccccc1N(C)C ZINC000546227335 341157938 /nfs/dbraw/zinc/15/79/38/341157938.db2.gz VGFIDPUSVAVULC-MRXNPFEDSA-N 1 3 303.494 3.525 20 0 DHADHO CCOc1ccccc1[C@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000546227307 341158060 /nfs/dbraw/zinc/15/80/60/341158060.db2.gz SZAZVTUYMNKAGK-INIZCTEOSA-N 1 3 304.478 3.858 20 0 DHADHO CCc1[nH+]c2ccccc2c(N2CC[C@@H](N3CC=CC3)C2)c1C ZINC000548791238 341275737 /nfs/dbraw/zinc/27/57/37/341275737.db2.gz AQFJKHVWYSRUHU-MRXNPFEDSA-N 1 3 307.441 3.556 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OC(C)C)[C@H](C)C1 ZINC000081095262 341279570 /nfs/dbraw/zinc/27/95/70/341279570.db2.gz BLRWIFKOGNTPCG-SJLPKXTDSA-N 1 3 304.478 3.636 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OC(C)C)[C@H](C)C1 ZINC000081095262 341279571 /nfs/dbraw/zinc/27/95/71/341279571.db2.gz BLRWIFKOGNTPCG-SJLPKXTDSA-N 1 3 304.478 3.636 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)nc3ccccc23)[C@@H](C)C1 ZINC000245422520 341292775 /nfs/dbraw/zinc/29/27/75/341292775.db2.gz IWUQOYPFHQWHIA-YWZLYKJASA-N 1 3 311.473 3.705 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)nc3ccccc23)[C@@H](C)C1 ZINC000245422520 341292776 /nfs/dbraw/zinc/29/27/76/341292776.db2.gz IWUQOYPFHQWHIA-YWZLYKJASA-N 1 3 311.473 3.705 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CN[C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245946342 341319270 /nfs/dbraw/zinc/31/92/70/341319270.db2.gz BLPUYHIDPFNRSB-LPHOPBHVSA-N 1 3 304.478 3.714 20 0 DHADHO CCC[N@H+]1CC[C@@H](CN[C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245946342 341319271 /nfs/dbraw/zinc/31/92/71/341319271.db2.gz BLPUYHIDPFNRSB-LPHOPBHVSA-N 1 3 304.478 3.714 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245946342 341319272 /nfs/dbraw/zinc/31/92/72/341319272.db2.gz BLPUYHIDPFNRSB-LPHOPBHVSA-N 1 3 304.478 3.714 20 0 DHADHO CCCN(CC)C[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000550818341 341323533 /nfs/dbraw/zinc/32/35/33/341323533.db2.gz LEMVHNMMLVXZAC-SXLOBPIMSA-N 1 3 317.521 3.532 20 0 DHADHO CCOC1(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCCC1 ZINC000550881847 341325404 /nfs/dbraw/zinc/32/54/04/341325404.db2.gz DTOBGSPJJWXFPU-HKUYNNGSSA-N 1 3 322.537 3.968 20 0 DHADHO CCOC1(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CCCC1 ZINC000550881847 341325405 /nfs/dbraw/zinc/32/54/05/341325405.db2.gz DTOBGSPJJWXFPU-HKUYNNGSSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC23CCCC3)C[C@@H](C)O1 ZINC000551014704 341329323 /nfs/dbraw/zinc/32/93/23/341329323.db2.gz XGGSYJBJHDAWGM-KZNAEPCWSA-N 1 3 308.510 3.578 20 0 DHADHO COc1cc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccc1C ZINC000551014200 341329328 /nfs/dbraw/zinc/32/93/28/341329328.db2.gz KECBWWTWOQCTGP-PMACEKPBSA-N 1 3 324.468 3.929 20 0 DHADHO COc1cc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccc1C ZINC000551014200 341329329 /nfs/dbraw/zinc/32/93/29/341329329.db2.gz KECBWWTWOQCTGP-PMACEKPBSA-N 1 3 324.468 3.929 20 0 DHADHO C[C@H](CCN(C)C)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551536723 341344655 /nfs/dbraw/zinc/34/46/55/341344655.db2.gz RNODRVFPIBWJAQ-GFCCVEGCSA-N 1 3 323.893 3.893 20 0 DHADHO CCOc1ccc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)cc1Cl ZINC000551573222 341346073 /nfs/dbraw/zinc/34/60/73/341346073.db2.gz NVHOXMHYWAKKRB-XJKSGUPXSA-N 1 3 310.869 3.559 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCOC(C)(C)C3)CC2)C1 ZINC000246528979 341353223 /nfs/dbraw/zinc/35/32/23/341353223.db2.gz VFRDCYFHEPZCGH-NJAFHUGGSA-N 1 3 308.510 3.577 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1Cl ZINC000247133630 341361212 /nfs/dbraw/zinc/36/12/12/341361212.db2.gz QLUCWJXGDAVNIN-RRFJBIMHSA-N 1 3 310.869 3.570 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1Cl ZINC000247133630 341361213 /nfs/dbraw/zinc/36/12/13/341361213.db2.gz QLUCWJXGDAVNIN-RRFJBIMHSA-N 1 3 310.869 3.570 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247126805 341361261 /nfs/dbraw/zinc/36/12/61/341361261.db2.gz AQFJWBQOVNXQMW-MAUKXSAKSA-N 1 3 322.880 3.525 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247126805 341361262 /nfs/dbraw/zinc/36/12/62/341361262.db2.gz AQFJWBQOVNXQMW-MAUKXSAKSA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247126805 341361263 /nfs/dbraw/zinc/36/12/63/341361263.db2.gz AQFJWBQOVNXQMW-MAUKXSAKSA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247126805 341361264 /nfs/dbraw/zinc/36/12/64/341361264.db2.gz AQFJWBQOVNXQMW-MAUKXSAKSA-N 1 3 322.880 3.525 20 0 DHADHO CCCC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000247169121 341361706 /nfs/dbraw/zinc/36/17/06/341361706.db2.gz YKBOLFRHXGJHHQ-IEZWGBDMSA-N 1 3 304.478 3.999 20 0 DHADHO CCCC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000247169121 341361707 /nfs/dbraw/zinc/36/17/07/341361707.db2.gz YKBOLFRHXGJHHQ-IEZWGBDMSA-N 1 3 304.478 3.999 20 0 DHADHO COCc1ccccc1/C=C(/C)CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000552043892 341364382 /nfs/dbraw/zinc/36/43/82/341364382.db2.gz FMSJMAIHIDVTPJ-YTWOYLGCSA-N 1 3 316.489 3.508 20 0 DHADHO COCc1ccccc1/C=C(/C)CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000552043892 341364383 /nfs/dbraw/zinc/36/43/83/341364383.db2.gz FMSJMAIHIDVTPJ-YTWOYLGCSA-N 1 3 316.489 3.508 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CCSc3ccc(Cl)cc3)CC[C@H]21 ZINC000248006708 341372149 /nfs/dbraw/zinc/37/21/49/341372149.db2.gz KVNJUKOVUPEOPN-WMLDXEAASA-N 1 3 324.921 3.848 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CCSc3ccc(Cl)cc3)CC[C@H]21 ZINC000248006708 341372150 /nfs/dbraw/zinc/37/21/50/341372150.db2.gz KVNJUKOVUPEOPN-WMLDXEAASA-N 1 3 324.921 3.848 20 0 DHADHO CC[N@@H+]1CC[C@H](NCC2(Sc3ccccc3)CC2)[C@@H](C)C1 ZINC000248129052 341373681 /nfs/dbraw/zinc/37/36/81/341373681.db2.gz OFLVHONKLNMVTO-RDJZCZTQSA-N 1 3 304.503 3.631 20 0 DHADHO CC[N@H+]1CC[C@H](NCC2(Sc3ccccc3)CC2)[C@@H](C)C1 ZINC000248129052 341373682 /nfs/dbraw/zinc/37/36/82/341373682.db2.gz OFLVHONKLNMVTO-RDJZCZTQSA-N 1 3 304.503 3.631 20 0 DHADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCC2(CCCO2)CC1 ZINC000564388627 341375896 /nfs/dbraw/zinc/37/58/96/341375896.db2.gz BJBHQJJXOAKZJM-ADEKHHIBSA-N 1 3 322.537 3.968 20 0 DHADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000249030183 341392330 /nfs/dbraw/zinc/39/23/30/341392330.db2.gz SIZAMPUNZBOACM-KBPBESRZSA-N 1 3 324.871 3.973 20 0 DHADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000249030183 341392331 /nfs/dbraw/zinc/39/23/31/341392331.db2.gz SIZAMPUNZBOACM-KBPBESRZSA-N 1 3 324.871 3.973 20 0 DHADHO c1csc(CN2CCC(C[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)c1 ZINC000554350396 341450784 /nfs/dbraw/zinc/45/07/84/341450784.db2.gz HHOWTDDTGHHGQP-ZWKOTPCHSA-N 1 3 304.503 3.738 20 0 DHADHO COc1ccc(F)c(CNCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000555564885 341485567 /nfs/dbraw/zinc/48/55/67/341485567.db2.gz WNSWWWJMAFVNPC-UHFFFAOYSA-N 1 3 322.468 3.682 20 0 DHADHO Cc1cc2c(cc1C)[C@H](NCc1ccc(C[NH3+])cc1)CCCO2 ZINC000564988295 341514333 /nfs/dbraw/zinc/51/43/33/341514333.db2.gz ASJGTWAQOWWCDK-LJQANCHMSA-N 1 3 310.441 3.766 20 0 DHADHO C[C@@H]([NH3+])C1CCN(Cc2cnc(C3CCCCC3)s2)CC1 ZINC000567385880 341600527 /nfs/dbraw/zinc/60/05/27/341600527.db2.gz VGLNZSPVJIFKKN-CYBMUJFWSA-N 1 3 307.507 3.750 20 0 DHADHO CCCC[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000574061169 341747275 /nfs/dbraw/zinc/74/72/75/341747275.db2.gz QHFHZVUGRKAHOW-MRXNPFEDSA-N 1 3 304.478 3.828 20 0 DHADHO Nc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000576269208 341837154 /nfs/dbraw/zinc/83/71/54/341837154.db2.gz IARKCBZGRNBNTD-FUMNGEBKSA-N 1 3 313.489 3.547 20 0 DHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc3c[nH]nc3c2)c1 ZINC000236669083 519629678 /nfs/dbraw/zinc/62/96/78/519629678.db2.gz LOPVUNUJWQPUHZ-UHFFFAOYSA-N 1 3 322.456 3.693 20 0 DHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc3c[nH]nc3c2)c1 ZINC000236669083 519629679 /nfs/dbraw/zinc/62/96/79/519629679.db2.gz LOPVUNUJWQPUHZ-UHFFFAOYSA-N 1 3 322.456 3.693 20 0 DHADHO C[C@H](CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)N1CCCCC1 ZINC000337270811 524199775 /nfs/dbraw/zinc/19/97/75/524199775.db2.gz ZZAYZURQXVBZRN-GGPKGHCWSA-N 1 3 315.505 3.962 20 0 DHADHO COc1ccc(F)c(CNCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000339185175 524271784 /nfs/dbraw/zinc/27/17/84/524271784.db2.gz VVCVRGSOLCRRRW-HNNXBMFYSA-N 1 3 308.441 3.579 20 0 DHADHO COc1ccc(F)c(CNCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000339185175 524271790 /nfs/dbraw/zinc/27/17/90/524271790.db2.gz VVCVRGSOLCRRRW-HNNXBMFYSA-N 1 3 308.441 3.579 20 0 DHADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(F)c1 ZINC000162584415 525457899 /nfs/dbraw/zinc/45/78/99/525457899.db2.gz OCSLLJUUORLXMZ-HNNXBMFYSA-N 1 3 316.420 3.617 20 0 DHADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000162584909 525536434 /nfs/dbraw/zinc/53/64/34/525536434.db2.gz KXJFHTANCCIINL-OAHLLOKOSA-N 1 3 316.420 3.617 20 0 DHADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cccc(Br)c1 ZINC000148028349 525554696 /nfs/dbraw/zinc/55/46/96/525554696.db2.gz XGZLPZAYPDKVJA-CORIIIEPSA-N 1 3 311.267 3.617 20 0 DHADHO C[C@@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000156166834 525682180 /nfs/dbraw/zinc/68/21/80/525682180.db2.gz OISYIJKCSDNSGI-ZOWXZIJZSA-N 1 3 311.267 3.582 20 0 DHADHO C[C@@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000156166834 525682184 /nfs/dbraw/zinc/68/21/84/525682184.db2.gz OISYIJKCSDNSGI-ZOWXZIJZSA-N 1 3 311.267 3.582 20 0 DHADHO Cc1ccncc1CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000339416000 525743433 /nfs/dbraw/zinc/74/34/33/525743433.db2.gz YGTJJPQOXWGQMZ-FPOVZHCZSA-N 1 3 323.484 3.562 20 0 DHADHO C[C@H](c1ccc(OC(F)F)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000265975307 526065833 /nfs/dbraw/zinc/06/58/33/526065833.db2.gz LSLUUAUDTJBPFV-KGLIPLIRSA-N 1 3 312.404 3.623 20 0 DHADHO C[C@H](c1ccc(OC(F)F)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265975307 526065840 /nfs/dbraw/zinc/06/58/40/526065840.db2.gz LSLUUAUDTJBPFV-KGLIPLIRSA-N 1 3 312.404 3.623 20 0 DHADHO Cc1ccc2cc(C[NH2+]C3CCN(CC4CC4)CC3)ccc2n1 ZINC000189263639 526231170 /nfs/dbraw/zinc/23/11/70/526231170.db2.gz TZFMROONQGGSEA-UHFFFAOYSA-N 1 3 309.457 3.507 20 0 DHADHO CC[N@H+](CCCN(C)C)Cc1c(OC)ccc2ccccc21 ZINC000578558116 1013251062 /nfs/dbraw/zinc/25/10/62/1013251062.db2.gz AJLHJGKGJRHEOY-UHFFFAOYSA-N 1 3 300.446 3.622 20 0 DHADHO CC[N@@H+](CCCN(C)C)Cc1c(OC)ccc2ccccc21 ZINC000578558116 1013251070 /nfs/dbraw/zinc/25/10/70/1013251070.db2.gz AJLHJGKGJRHEOY-UHFFFAOYSA-N 1 3 300.446 3.622 20 0 DHADHO CO[C@H](CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1CCCC1 ZINC001167256304 1013452772 /nfs/dbraw/zinc/45/27/72/1013452772.db2.gz VWDCBDNDQDVNHE-AZUAARDMSA-N 1 3 322.537 3.636 20 0 DHADHO c1ccc([C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167983930 1013496050 /nfs/dbraw/zinc/49/60/50/1013496050.db2.gz LLIBRLDGQMUVBA-MQEZQYLSSA-N 1 3 310.485 3.881 20 0 DHADHO c1ccc([C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167983930 1013496056 /nfs/dbraw/zinc/49/60/56/1013496056.db2.gz LLIBRLDGQMUVBA-MQEZQYLSSA-N 1 3 310.485 3.881 20 0 DHADHO Brc1ccc2c(c1)CC[C@H]2[NH2+]CCCN1CCCC1 ZINC000040226507 1013540189 /nfs/dbraw/zinc/54/01/89/1013540189.db2.gz BUMGUJUIEYKLDH-MRXNPFEDSA-N 1 3 323.278 3.512 20 0 DHADHO Brc1ccc2c(c1)CC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000040226505 1013540507 /nfs/dbraw/zinc/54/05/07/1013540507.db2.gz BUMGUJUIEYKLDH-INIZCTEOSA-N 1 3 323.278 3.512 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCCN(C2CCC2)C1 ZINC000519769022 1013601259 /nfs/dbraw/zinc/60/12/59/1013601259.db2.gz HUAHGJPTKHIPGW-SCTDSRPQSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H](NC[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519769022 1013601264 /nfs/dbraw/zinc/60/12/64/1013601264.db2.gz HUAHGJPTKHIPGW-SCTDSRPQSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H](NC[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000519769022 1013601266 /nfs/dbraw/zinc/60/12/66/1013601266.db2.gz HUAHGJPTKHIPGW-SCTDSRPQSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000188444889 1013760205 /nfs/dbraw/zinc/76/02/05/1013760205.db2.gz UMDJKPSXVHARST-JFIYKMOQSA-N 1 3 318.480 3.999 20 0 DHADHO CCC[C@@H](NCC1(C)CC[NH+](C)CC1)c1ncccc1Cl ZINC000926113482 1014226734 /nfs/dbraw/zinc/22/67/34/1014226734.db2.gz GGVFYMKABDTZPE-OAHLLOKOSA-N 1 3 309.885 3.898 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)C2(c3ccccc3)CCCC2)C1 ZINC000520648504 1014399670 /nfs/dbraw/zinc/39/96/70/1014399670.db2.gz BVZHCVOLLMHGGP-ROUUACIJSA-N 1 3 300.490 3.818 20 0 DHADHO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116545 1014648659 /nfs/dbraw/zinc/64/86/59/1014648659.db2.gz PJDDYLPOHOFYBJ-BBRMVZONSA-N 1 3 307.507 3.573 20 0 DHADHO C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116545 1014648671 /nfs/dbraw/zinc/64/86/71/1014648671.db2.gz PJDDYLPOHOFYBJ-BBRMVZONSA-N 1 3 307.507 3.573 20 0 DHADHO FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000665279319 1014662780 /nfs/dbraw/zinc/66/27/80/1014662780.db2.gz AEOKQMMINCXRDA-FXMPHUBISA-N 1 3 324.390 3.683 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000442989685 1014787485 /nfs/dbraw/zinc/78/74/85/1014787485.db2.gz ITOZYPQFYPTCLN-CVEARBPZSA-N 1 3 314.395 3.976 20 0 DHADHO COc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1OC ZINC000341185734 1014971022 /nfs/dbraw/zinc/97/10/22/1014971022.db2.gz MKJHKIUGXBGYNT-HOTGVXAUSA-N 1 3 320.477 3.537 20 0 DHADHO c1ccc(SCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093490657 1015047460 /nfs/dbraw/zinc/04/74/60/1015047460.db2.gz RKUUDFRMUZXFSM-OKZBNKHCSA-N 1 3 304.503 3.679 20 0 DHADHO Cc1cccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000656684323 1015070058 /nfs/dbraw/zinc/07/00/58/1015070058.db2.gz VIASBVSFRIKPCK-SFHVURJKSA-N 1 3 323.484 3.953 20 0 DHADHO CCCc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000443677656 1015105697 /nfs/dbraw/zinc/10/56/97/1015105697.db2.gz YNGWZDPXMANNIG-SJORKVTESA-N 1 3 309.457 3.648 20 0 DHADHO CCCc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000443677656 1015105699 /nfs/dbraw/zinc/10/56/99/1015105699.db2.gz YNGWZDPXMANNIG-SJORKVTESA-N 1 3 309.457 3.648 20 0 DHADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000114478279 1015192346 /nfs/dbraw/zinc/19/23/46/1015192346.db2.gz DDVHRSJTDKODQM-QWHCGFSZSA-N 1 3 300.368 3.650 20 0 DHADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](CN(C)C)C1 ZINC000114478279 1015192352 /nfs/dbraw/zinc/19/23/52/1015192352.db2.gz DDVHRSJTDKODQM-QWHCGFSZSA-N 1 3 300.368 3.650 20 0 DHADHO CC(C)CN(Cc1nc(C(C)(C)C)co1)CC1CC[NH+](C)CC1 ZINC000895860707 1015328509 /nfs/dbraw/zinc/32/85/09/1015328509.db2.gz FBQVFZIIFUTCEN-UHFFFAOYSA-N 1 3 321.509 3.772 20 0 DHADHO N[C@@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21)C1CC1 ZINC000581801578 1015336269 /nfs/dbraw/zinc/33/62/69/1015336269.db2.gz QKKQLRYPHQISRW-LSDHHAIUSA-N 1 3 313.470 3.514 20 0 DHADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)CCO2 ZINC000161043092 1015386819 /nfs/dbraw/zinc/38/68/19/1015386819.db2.gz MBRGXZANVJOYKF-SQNIBIBYSA-N 1 3 302.462 3.535 20 0 DHADHO CCOc1ccc(CNCc2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000657299932 1016241428 /nfs/dbraw/zinc/24/14/28/1016241428.db2.gz CJYPRPCMICKKFE-UHFFFAOYSA-N 1 3 312.457 3.745 20 0 DHADHO c1csc(-c2ccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2)c1 ZINC000657307065 1016269362 /nfs/dbraw/zinc/26/93/62/1016269362.db2.gz IEINXRYQQHJXLB-MRXNPFEDSA-N 1 3 312.482 3.989 20 0 DHADHO C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c([O-])ccc3ccccc32)C1 ZINC000074721907 1016295660 /nfs/dbraw/zinc/29/56/60/1016295660.db2.gz XVJVQNYWXHBXKJ-KRWDZBQOSA-N 1 3 324.468 3.709 20 0 DHADHO C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c([O-])ccc3ccccc32)C1 ZINC000074721907 1016295665 /nfs/dbraw/zinc/29/56/65/1016295665.db2.gz XVJVQNYWXHBXKJ-KRWDZBQOSA-N 1 3 324.468 3.709 20 0 DHADHO C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000074721907 1016295669 /nfs/dbraw/zinc/29/56/69/1016295669.db2.gz XVJVQNYWXHBXKJ-KRWDZBQOSA-N 1 3 324.468 3.709 20 0 DHADHO C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000074721907 1016295674 /nfs/dbraw/zinc/29/56/74/1016295674.db2.gz XVJVQNYWXHBXKJ-KRWDZBQOSA-N 1 3 324.468 3.709 20 0 DHADHO COc1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1F ZINC000171127615 1016535173 /nfs/dbraw/zinc/53/51/73/1016535173.db2.gz NDEPCRHQWNAGDT-CQSZACIVSA-N 1 3 316.420 3.747 20 0 DHADHO c1nc(C2CCCC2)sc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347131341 1016752024 /nfs/dbraw/zinc/75/20/24/1016752024.db2.gz QQRZKYZWMHIVCQ-QGZVFWFLSA-N 1 3 319.518 3.765 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000073136503 1016891402 /nfs/dbraw/zinc/89/14/02/1016891402.db2.gz ICDICPYNJVUOJE-UHFFFAOYSA-N 1 3 316.367 3.549 20 0 DHADHO C[N@@H+]1CC[C@@H](NCCSc2ccc(Cl)cc2)CC1(C)C ZINC000623340831 1016971533 /nfs/dbraw/zinc/97/15/33/1016971533.db2.gz BCGANFSMQMADFX-CQSZACIVSA-N 1 3 312.910 3.895 20 0 DHADHO C[N@H+]1CC[C@@H](NCCSc2ccc(Cl)cc2)CC1(C)C ZINC000623340831 1016971548 /nfs/dbraw/zinc/97/15/48/1016971548.db2.gz BCGANFSMQMADFX-CQSZACIVSA-N 1 3 312.910 3.895 20 0 DHADHO C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccc(Cl)cc1 ZINC000623435718 1017047082 /nfs/dbraw/zinc/04/70/82/1017047082.db2.gz PWQWPJMAPXILJN-HIFRSBDPSA-N 1 3 310.869 3.570 20 0 DHADHO C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccc(Cl)cc1 ZINC000623435718 1017047083 /nfs/dbraw/zinc/04/70/83/1017047083.db2.gz PWQWPJMAPXILJN-HIFRSBDPSA-N 1 3 310.869 3.570 20 0 DHADHO CC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000361972487 1032177408 /nfs/dbraw/zinc/17/74/08/1032177408.db2.gz RBYIGNLRUPSVEW-ZACQAIPSSA-N 1 3 320.477 3.617 20 0 DHADHO CC1(C)CC([NH+]2CCC(N3CCCCC3)CC2)CC(C)(C)O1 ZINC001172654866 1033308290 /nfs/dbraw/zinc/30/82/90/1033308290.db2.gz KTZABTFBXNWKSJ-UHFFFAOYSA-N 1 3 308.510 3.673 20 0 DHADHO C[C@H]1C[C@@H](N(C)Cc2cccc(-c3ccncc3)c2)CC[N@@H+]1C ZINC000093644474 1032549829 /nfs/dbraw/zinc/54/98/29/1032549829.db2.gz CVSKPHIHFQPKLU-JXFKEZNVSA-N 1 3 309.457 3.663 20 0 DHADHO C[C@H]1C[C@@H](N(C)Cc2cccc(-c3ccncc3)c2)CC[N@H+]1C ZINC000093644474 1032549835 /nfs/dbraw/zinc/54/98/35/1032549835.db2.gz CVSKPHIHFQPKLU-JXFKEZNVSA-N 1 3 309.457 3.663 20 0 DHADHO Cc1ncccc1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000093844589 1032560963 /nfs/dbraw/zinc/56/09/63/1032560963.db2.gz HZOJOSDJRLIZIQ-QGZVFWFLSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1ncccc1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000093844589 1032560968 /nfs/dbraw/zinc/56/09/68/1032560968.db2.gz HZOJOSDJRLIZIQ-QGZVFWFLSA-N 1 3 315.505 3.867 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCCCS2)CC1 ZINC000541555111 1032581052 /nfs/dbraw/zinc/58/10/52/1032581052.db2.gz MKNAEXVBOBLZQM-BPQIPLTHSA-N 1 3 310.551 3.905 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000414907632 1012021237 /nfs/dbraw/zinc/02/12/37/1012021237.db2.gz AUCRYIIHMNRLTF-OLZOCXBDSA-N 1 3 306.759 3.718 20 0 DHADHO CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546093 1012094798 /nfs/dbraw/zinc/09/47/98/1012094798.db2.gz IFLAGHRWAHAIJI-OALUTQOASA-N 1 3 300.490 3.908 20 0 DHADHO CC[NH+](CC)CCCN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000683141847 1012104319 /nfs/dbraw/zinc/10/43/19/1012104319.db2.gz WYIGGUGAKUKADD-WOJBJXKFSA-N 1 3 318.505 3.818 20 0 DHADHO CN(CCCc1ccc(C(F)(F)F)cc1)CCC[NH+](C)C ZINC001208685443 1012542628 /nfs/dbraw/zinc/54/26/28/1012542628.db2.gz ABOYYEYSRPPMFT-UHFFFAOYSA-N 1 3 302.384 3.522 20 0 DHADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000037141003 1012834915 /nfs/dbraw/zinc/83/49/15/1012834915.db2.gz JWXSYZMTEYDXSS-GFCCVEGCSA-N 1 3 323.278 3.727 20 0 DHADHO CC(C)c1nc(C[NH+]2CCC(c3ncc[nH]3)CC2)c2ccccn21 ZINC000516931750 1012868509 /nfs/dbraw/zinc/86/85/09/1012868509.db2.gz NBXNLEGGQXXDBH-UHFFFAOYSA-N 1 3 323.444 3.560 20 0 DHADHO C[C@H]1C[C@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000366678733 1012919265 /nfs/dbraw/zinc/91/92/65/1012919265.db2.gz MVDWLTWLKBRJBS-DLBZAZTESA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1)CN(C)C ZINC000425941991 1012981760 /nfs/dbraw/zinc/98/17/60/1012981760.db2.gz DEWKXILVCNVLTM-STQMWFEESA-N 1 3 316.461 3.892 20 0 DHADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425941598 1012983723 /nfs/dbraw/zinc/98/37/23/1012983723.db2.gz CBDNLEDEVQUAJF-UONOGXRCSA-N 1 3 317.502 3.967 20 0 DHADHO CN1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1(C)C ZINC000623559690 1017111311 /nfs/dbraw/zinc/11/13/11/1017111311.db2.gz JVYDXAIIHLQGSF-HOCLYGCPSA-N 1 3 320.452 3.890 20 0 DHADHO CN1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1(C)C ZINC000623559689 1017111389 /nfs/dbraw/zinc/11/13/89/1017111389.db2.gz JVYDXAIIHLQGSF-GOEBONIOSA-N 1 3 320.452 3.890 20 0 DHADHO C[C@@H]1CC(N(C)[C@@H]2CCCOC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063590 1017197608 /nfs/dbraw/zinc/19/76/08/1017197608.db2.gz CTRQEXMTAGDSBY-ZHALLVOQSA-N 1 3 316.489 3.539 20 0 DHADHO C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccn1 ZINC000657536116 1017222965 /nfs/dbraw/zinc/22/29/65/1017222965.db2.gz TWLIIMOCCSCOPD-MRXNPFEDSA-N 1 3 301.478 3.572 20 0 DHADHO c1ccc(OCCCCN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834945 1017365891 /nfs/dbraw/zinc/36/58/91/1017365891.db2.gz YXOUCIVJYBWYMD-LJQANCHMSA-N 1 3 316.489 3.653 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(SC)cc2)CC1 ZINC000173374819 1032704028 /nfs/dbraw/zinc/70/40/28/1032704028.db2.gz LZKUGQZDAOSOCQ-HNNXBMFYSA-N 1 3 322.518 3.560 20 0 DHADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@@H]1C ZINC000657612601 1017571096 /nfs/dbraw/zinc/57/10/96/1017571096.db2.gz AVZLFBGIGGUGRG-FUHIMQAGSA-N 1 3 315.505 3.708 20 0 DHADHO CCc1ccccc1CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000444640034 1017612574 /nfs/dbraw/zinc/61/25/74/1017612574.db2.gz MTFNBGBHVXFOBZ-FQEVSTJZSA-N 1 3 300.490 3.742 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000624122981 1017694283 /nfs/dbraw/zinc/69/42/83/1017694283.db2.gz CCZWSDQILLHHKQ-MUYFXNHWSA-N 1 3 308.510 3.578 20 0 DHADHO COCCC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(F)cc1 ZINC000624123591 1017696937 /nfs/dbraw/zinc/69/69/37/1017696937.db2.gz ORXJYKVEHDSGFQ-LPHOPBHVSA-N 1 3 322.468 3.615 20 0 DHADHO C[C@@]1(CC[NH2+]C2CCN(C3CCCCC3)CC2)CC1(F)F ZINC000657670816 1017730926 /nfs/dbraw/zinc/73/09/26/1017730926.db2.gz PNHADWOHPYUGGC-MRXNPFEDSA-N 1 3 300.437 3.809 20 0 DHADHO Fc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c(Cl)c1 ZINC000090956481 1017833715 /nfs/dbraw/zinc/83/37/15/1017833715.db2.gz SEFOEBTVBUMFQR-HUUCEWRRSA-N 1 3 322.855 3.727 20 0 DHADHO Fc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c(Cl)c1 ZINC000090956481 1017833737 /nfs/dbraw/zinc/83/37/37/1017833737.db2.gz SEFOEBTVBUMFQR-HUUCEWRRSA-N 1 3 322.855 3.727 20 0 DHADHO C[C@@H]1C[C@H](NCCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358795055 1017886224 /nfs/dbraw/zinc/88/62/24/1017886224.db2.gz ZSSLHPYNXCSYQF-UKRRQHHQSA-N 1 3 300.368 3.582 20 0 DHADHO C[C@@H]1C[C@H](NCCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000358795055 1017886237 /nfs/dbraw/zinc/88/62/37/1017886237.db2.gz ZSSLHPYNXCSYQF-UKRRQHHQSA-N 1 3 300.368 3.582 20 0 DHADHO C[C@@H]([NH2+]CCCc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185747580 1018128010 /nfs/dbraw/zinc/12/80/10/1018128010.db2.gz ZFAZSRXZKBXQLT-IEBWSBKVSA-N 1 3 300.490 3.862 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@]3(C)CC3(F)F)CC2)C1 ZINC000658217121 1018285791 /nfs/dbraw/zinc/28/57/91/1018285791.db2.gz DQTPZOXKDIRJIK-VNQPRFMTSA-N 1 3 300.437 3.664 20 0 DHADHO CC(C)C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccncc1 ZINC000647283864 1018292510 /nfs/dbraw/zinc/29/25/10/1018292510.db2.gz QBVHCBHHUBLWAX-LJQANCHMSA-N 1 3 301.478 3.633 20 0 DHADHO Cc1cc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000383405088 1018400055 /nfs/dbraw/zinc/40/00/55/1018400055.db2.gz QYAUVCFLXDIZEI-LJQANCHMSA-N 1 3 324.468 3.621 20 0 DHADHO Cc1cc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000383405088 1018400063 /nfs/dbraw/zinc/40/00/63/1018400063.db2.gz QYAUVCFLXDIZEI-LJQANCHMSA-N 1 3 324.468 3.621 20 0 DHADHO CC[C@H](CN[C@@H](CC)c1ccc2c(c1)CCO2)[NH+]1CCCC1 ZINC000764871807 1018412343 /nfs/dbraw/zinc/41/23/43/1018412343.db2.gz ZBYMVQBDSUNLQI-MSOLQXFVSA-N 1 3 302.462 3.537 20 0 DHADHO CCC[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833738 1018606173 /nfs/dbraw/zinc/60/61/73/1018606173.db2.gz OKVWKMJEZQUWII-HKUYNNGSSA-N 1 3 302.462 3.610 20 0 DHADHO CCC[C@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833738 1018606180 /nfs/dbraw/zinc/60/61/80/1018606180.db2.gz OKVWKMJEZQUWII-HKUYNNGSSA-N 1 3 302.462 3.610 20 0 DHADHO C[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)c1ccncc1 ZINC000675929340 1018635986 /nfs/dbraw/zinc/63/59/86/1018635986.db2.gz ZOFZIXGNPCOFTO-MRXNPFEDSA-N 1 3 301.478 3.572 20 0 DHADHO C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccncc1 ZINC000675929340 1018635994 /nfs/dbraw/zinc/63/59/94/1018635994.db2.gz ZOFZIXGNPCOFTO-MRXNPFEDSA-N 1 3 301.478 3.572 20 0 DHADHO Cc1cccc2c1CC[C@@H](N1CCC([NH3+])(CC3CCC3)CC1)C2 ZINC001171558462 1032778463 /nfs/dbraw/zinc/77/84/63/1032778463.db2.gz JHBHFXFMVILQRC-LJQANCHMSA-N 1 3 312.501 3.836 20 0 DHADHO CSCc1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1 ZINC000921514934 1018807517 /nfs/dbraw/zinc/80/75/17/1018807517.db2.gz WLHXMRFVTUQYNN-UHFFFAOYSA-N 1 3 314.498 3.901 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccnc(-c3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000624267484 1018826422 /nfs/dbraw/zinc/82/64/22/1018826422.db2.gz OIUVPRUNGOGPFZ-IRFCIJBXSA-N 1 3 321.468 3.711 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccnc(-c3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000624267484 1018826433 /nfs/dbraw/zinc/82/64/33/1018826433.db2.gz OIUVPRUNGOGPFZ-IRFCIJBXSA-N 1 3 321.468 3.711 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000624267484 1018826454 /nfs/dbraw/zinc/82/64/54/1018826454.db2.gz OIUVPRUNGOGPFZ-IRFCIJBXSA-N 1 3 321.468 3.711 20 0 DHADHO CN1C(C)(C)CC([NH+]2CCC(OC3CCC3)CC2)CC1(C)C ZINC001171631040 1032794095 /nfs/dbraw/zinc/79/40/95/1032794095.db2.gz DDLGAFICPSSPIE-UHFFFAOYSA-N 1 3 308.510 3.671 20 0 DHADHO CN1C(C)(C)CC([NH2+]CC2(Cc3cccnc3)CC2)CC1(C)C ZINC001171630481 1032796310 /nfs/dbraw/zinc/79/63/10/1032796310.db2.gz OVNGKVXWIZBXST-UHFFFAOYSA-N 1 3 315.505 3.645 20 0 DHADHO NCCC[N@H+]([C@H]1Cc2cccc(Cl)c2C1)C1CCCCC1 ZINC001168685399 1018973131 /nfs/dbraw/zinc/97/31/31/1018973131.db2.gz PKGSPCKYGXSYQD-INIZCTEOSA-N 1 3 306.881 3.791 20 0 DHADHO NCCC[N@@H+]([C@H]1Cc2cccc(Cl)c2C1)C1CCCCC1 ZINC001168685399 1018973145 /nfs/dbraw/zinc/97/31/45/1018973145.db2.gz PKGSPCKYGXSYQD-INIZCTEOSA-N 1 3 306.881 3.791 20 0 DHADHO CCc1ccc([C@H](CC)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000159123017 1019006869 /nfs/dbraw/zinc/00/68/69/1019006869.db2.gz AKLSUZCUISBIDO-FQEVSTJZSA-N 1 3 318.505 3.791 20 0 DHADHO CN1C(C)(C)CC([NH2+]C(C)(C)Cc2ccccn2)CC1(C)C ZINC001171630077 1032796854 /nfs/dbraw/zinc/79/68/54/1032796854.db2.gz HTAXUWNPWRTNGM-UHFFFAOYSA-N 1 3 303.494 3.644 20 0 DHADHO CN1C(C)(C)CC([NH2+]CCCCc2ccccn2)CC1(C)C ZINC001171623302 1032807306 /nfs/dbraw/zinc/80/73/06/1032807306.db2.gz SHBWWIUURIBCKJ-UHFFFAOYSA-N 1 3 303.494 3.645 20 0 DHADHO CCOc1cccc(CC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171619054 1032804022 /nfs/dbraw/zinc/80/40/22/1032804022.db2.gz GBXYJLWKASXRLR-UHFFFAOYSA-N 1 3 318.505 3.869 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995071 1032808083 /nfs/dbraw/zinc/80/80/83/1032808083.db2.gz CCNWDAGINOBPSU-CHWSQXEVSA-N 1 3 312.910 3.987 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)CC3 ZINC000666995443 1032808242 /nfs/dbraw/zinc/80/82/42/1032808242.db2.gz NYHZRQSSAKQFGV-HOTGVXAUSA-N 1 3 323.484 3.598 20 0 DHADHO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1cc2ccncc2s1 ZINC000657847727 1019149312 /nfs/dbraw/zinc/14/93/12/1019149312.db2.gz YQWMMFYUBYGLAB-CYBMUJFWSA-N 1 3 315.486 3.821 20 0 DHADHO Cc1nc([C@H]2CCCN2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000923373406 1019155566 /nfs/dbraw/zinc/15/55/66/1019155566.db2.gz OTZUELHUYMPOIH-UCMJJCQDSA-N 1 3 305.491 3.509 20 0 DHADHO [NH3+]CC[C@@H]1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000923483195 1019231409 /nfs/dbraw/zinc/23/14/09/1019231409.db2.gz NIBHQWGBVRATMT-GFCCVEGCSA-N 1 3 321.877 3.634 20 0 DHADHO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000921981813 1019256099 /nfs/dbraw/zinc/25/60/99/1019256099.db2.gz XKSHJTIVEMXXSG-XLMAVXFVSA-N 1 3 310.551 3.903 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000089511729 1019367242 /nfs/dbraw/zinc/36/72/42/1019367242.db2.gz LLRMXPREFYVNLT-UWJYYQICSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000089511729 1019367256 /nfs/dbraw/zinc/36/72/56/1019367256.db2.gz LLRMXPREFYVNLT-UWJYYQICSA-N 1 3 324.468 3.695 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](c3ccncc3)C2)CC1(C)C ZINC001171636460 1032835140 /nfs/dbraw/zinc/83/51/40/1032835140.db2.gz DXUYGEBFUXGXQV-INIZCTEOSA-N 1 3 301.478 3.522 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CC[C@H](c3ccncc3)C2)CC1(C)C ZINC001171636460 1032835154 /nfs/dbraw/zinc/83/51/54/1032835154.db2.gz DXUYGEBFUXGXQV-INIZCTEOSA-N 1 3 301.478 3.522 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](c3ccccn3)C2)CC1(C)C ZINC001171639319 1032837279 /nfs/dbraw/zinc/83/72/79/1032837279.db2.gz FMJCHYSNZFEFFK-INIZCTEOSA-N 1 3 315.505 3.912 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CCC[C@H](c3ccccn3)C2)CC1(C)C ZINC001171639319 1032837296 /nfs/dbraw/zinc/83/72/96/1032837296.db2.gz FMJCHYSNZFEFFK-INIZCTEOSA-N 1 3 315.505 3.912 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)[C@@H](C)C1 ZINC000628219625 1019743200 /nfs/dbraw/zinc/74/32/00/1019743200.db2.gz SCTHELCBEWNXJT-CMPLNLGQSA-N 1 3 306.397 3.587 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000685470250 1019848828 /nfs/dbraw/zinc/84/88/28/1019848828.db2.gz BQLDAYMONDJIBV-CJNGLKHVSA-N 1 3 314.395 3.786 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000685470250 1019848838 /nfs/dbraw/zinc/84/88/38/1019848838.db2.gz BQLDAYMONDJIBV-CJNGLKHVSA-N 1 3 314.395 3.786 20 0 DHADHO CSc1ccc(CNC2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000922503820 1020105353 /nfs/dbraw/zinc/10/53/53/1020105353.db2.gz KUFDGDMELUVDAY-UHFFFAOYSA-N 1 3 308.491 3.888 20 0 DHADHO CC[C@H](COCC1CC1)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000658090253 1020137303 /nfs/dbraw/zinc/13/73/03/1020137303.db2.gz HGFJTKNRCMANDP-POAQFYNOSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000658161734 1020195712 /nfs/dbraw/zinc/19/57/12/1020195712.db2.gz AEZFGQTUHKQSAZ-UWVAXJGDSA-N 1 3 315.505 3.708 20 0 DHADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165427 1020199687 /nfs/dbraw/zinc/19/96/87/1020199687.db2.gz JPBNZMHOBVJION-UXHICEINSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@H]1CCC[C@H](C)C1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165282 1020200498 /nfs/dbraw/zinc/20/04/98/1020200498.db2.gz HYRYCDOKRZFVDT-IRXDYDNUSA-N 1 3 315.505 3.708 20 0 DHADHO CC(C)O[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1(C)C ZINC000765805458 1020262590 /nfs/dbraw/zinc/26/25/90/1020262590.db2.gz CNDYMYXFMOGWGI-RBUKOAKNSA-N 1 3 322.537 3.823 20 0 DHADHO C[C@@H](CSc1ccc(Cl)cc1)NCC[C@@H]1CCC[N@@H+]1C ZINC001172881978 1033455105 /nfs/dbraw/zinc/45/51/05/1033455105.db2.gz KRMCJVWEZJIPER-ZFWWWQNUSA-N 1 3 312.910 3.895 20 0 DHADHO C[C@@H](CSc1ccc(Cl)cc1)NCC[C@@H]1CCC[N@H+]1C ZINC001172881978 1033455116 /nfs/dbraw/zinc/45/51/16/1033455116.db2.gz KRMCJVWEZJIPER-ZFWWWQNUSA-N 1 3 312.910 3.895 20 0 DHADHO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC[C@@H]1CCCN1C ZINC001172881978 1033455146 /nfs/dbraw/zinc/45/51/46/1033455146.db2.gz KRMCJVWEZJIPER-ZFWWWQNUSA-N 1 3 312.910 3.895 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(OC)cc2C)c1 ZINC000921687068 1020449409 /nfs/dbraw/zinc/44/94/09/1020449409.db2.gz WLVRSROUUDVZFD-UHFFFAOYSA-N 1 3 312.457 3.745 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(OC)cc2C)c1 ZINC000921687068 1020449413 /nfs/dbraw/zinc/44/94/13/1020449413.db2.gz WLVRSROUUDVZFD-UHFFFAOYSA-N 1 3 312.457 3.745 20 0 DHADHO C[NH+](C)C[C@@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177722410 1020540259 /nfs/dbraw/zinc/54/02/59/1020540259.db2.gz GEBJPHSQKBAOTH-HNNXBMFYSA-N 1 3 314.395 3.522 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCC1)C1CCC(C(F)(F)F)CC1 ZINC000474888959 1020561677 /nfs/dbraw/zinc/56/16/77/1020561677.db2.gz QIVYZVSXVXRKJV-NFOMZHRRSA-N 1 3 306.416 3.819 20 0 DHADHO CCN(CC)CCC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171957738 1032923323 /nfs/dbraw/zinc/92/33/23/1032923323.db2.gz BTBYJQFFCQOEKB-CQSZACIVSA-N 1 3 316.411 3.958 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)c(C)c1 ZINC000414058131 1020827371 /nfs/dbraw/zinc/82/73/71/1020827371.db2.gz GWBCDTUKRMVAKF-MRXNPFEDSA-N 1 3 304.478 3.775 20 0 DHADHO C[C@H](N)c1nccn1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967310 1032937923 /nfs/dbraw/zinc/93/79/23/1032937923.db2.gz YYRBHWQWHOCQIN-RDJZCZTQSA-N 1 3 312.461 3.519 20 0 DHADHO C[C@H](N)c1nccn1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967310 1032937937 /nfs/dbraw/zinc/93/79/37/1032937937.db2.gz YYRBHWQWHOCQIN-RDJZCZTQSA-N 1 3 312.461 3.519 20 0 DHADHO Cn1cccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171966153 1032938471 /nfs/dbraw/zinc/93/84/71/1032938471.db2.gz SOZNDULAXBGGEP-GOSISDBHSA-N 1 3 311.473 3.558 20 0 DHADHO CO[C@](C)([C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000414231593 1021017728 /nfs/dbraw/zinc/01/77/28/1021017728.db2.gz HJGPSEQCKINLKP-DNVCBOLYSA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@](C)([C@@H](C)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000414231593 1021017734 /nfs/dbraw/zinc/01/77/34/1021017734.db2.gz HJGPSEQCKINLKP-DNVCBOLYSA-N 1 3 308.510 3.577 20 0 DHADHO Fc1cccc(F)c1C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000414237904 1021022822 /nfs/dbraw/zinc/02/28/22/1021022822.db2.gz LVHKFSYSVYGEIF-LSDHHAIUSA-N 1 3 320.427 3.603 20 0 DHADHO Fc1cccc(F)c1C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000414237904 1021022827 /nfs/dbraw/zinc/02/28/27/1021022827.db2.gz LVHKFSYSVYGEIF-LSDHHAIUSA-N 1 3 320.427 3.603 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCC[C@H]1F ZINC000414297081 1021069114 /nfs/dbraw/zinc/06/91/14/1021069114.db2.gz YGGOBKRSIFKUKP-NXWXRZEISA-N 1 3 304.453 3.767 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCC[C@H]1F ZINC000414297081 1021069118 /nfs/dbraw/zinc/06/91/18/1021069118.db2.gz YGGOBKRSIFKUKP-NXWXRZEISA-N 1 3 304.453 3.767 20 0 DHADHO C[C@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000414341592 1021111066 /nfs/dbraw/zinc/11/10/66/1021111066.db2.gz OMJOKIKBBBPWGY-GDAAHCPNSA-N 1 3 310.441 3.778 20 0 DHADHO C[C@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000414341592 1021111070 /nfs/dbraw/zinc/11/10/70/1021111070.db2.gz OMJOKIKBBBPWGY-GDAAHCPNSA-N 1 3 310.441 3.778 20 0 DHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414349904 1021120259 /nfs/dbraw/zinc/12/02/59/1021120259.db2.gz YKEHQNKVOJKINR-JCHJZTRSSA-N 1 3 310.441 3.636 20 0 DHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414349904 1021120263 /nfs/dbraw/zinc/12/02/63/1021120263.db2.gz YKEHQNKVOJKINR-JCHJZTRSSA-N 1 3 310.441 3.636 20 0 DHADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251496913 1021230687 /nfs/dbraw/zinc/23/06/87/1021230687.db2.gz KCZVPSFPMRDSSZ-OUCADQQQSA-N 1 3 300.368 3.826 20 0 DHADHO CC[C@H]1COCC[N@@H+]1[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984036 1032966746 /nfs/dbraw/zinc/96/67/46/1032966746.db2.gz BWGVMYWZESCMLT-OALUTQOASA-N 1 3 316.489 3.540 20 0 DHADHO CC[C@H]1COCC[N@H+]1[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984036 1032966753 /nfs/dbraw/zinc/96/67/53/1032966753.db2.gz BWGVMYWZESCMLT-OALUTQOASA-N 1 3 316.489 3.540 20 0 DHADHO Cc1nc(C(C)C)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000338913625 1021295444 /nfs/dbraw/zinc/29/54/44/1021295444.db2.gz WYRKCOLZFRHQKK-UHFFFAOYSA-N 1 3 315.505 3.821 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCC2 ZINC000166149436 1021388345 /nfs/dbraw/zinc/38/83/45/1021388345.db2.gz JEYPXAAJMKUYFQ-RBUKOAKNSA-N 1 3 320.521 3.721 20 0 DHADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000166149436 1021388362 /nfs/dbraw/zinc/38/83/62/1021388362.db2.gz JEYPXAAJMKUYFQ-RBUKOAKNSA-N 1 3 320.521 3.721 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069377604 1021475588 /nfs/dbraw/zinc/47/55/88/1021475588.db2.gz XVWAOORPVISIPO-HUUCEWRRSA-N 1 3 306.416 3.819 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000538059170 1032982980 /nfs/dbraw/zinc/98/29/80/1032982980.db2.gz NTVIBXNHXDDEEG-DNVCBOLYSA-N 1 3 304.453 3.988 20 0 DHADHO CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121823 1021504785 /nfs/dbraw/zinc/50/47/85/1021504785.db2.gz DMVCFXJECYQMRS-VQTJNVASSA-N 1 3 318.505 3.549 20 0 DHADHO C(C1CCCCC1)N1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000850431021 1021528670 /nfs/dbraw/zinc/52/86/70/1021528670.db2.gz RVIRYWKPEDVDOO-KRWDZBQOSA-N 1 3 310.551 3.906 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850433796 1021530982 /nfs/dbraw/zinc/53/09/82/1021530982.db2.gz QMUALWJLSOTFLZ-DLBZAZTESA-N 1 3 316.489 3.783 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)CCCO2 ZINC000850440385 1021534299 /nfs/dbraw/zinc/53/42/99/1021534299.db2.gz WZYPPHSYAWHHEG-QGTPRVQTSA-N 1 3 302.462 3.535 20 0 DHADHO C[N@@H+](Cc1cccs1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093336800 1021561991 /nfs/dbraw/zinc/56/19/91/1021561991.db2.gz IQGZAEDBZZXCLK-KRWDZBQOSA-N 1 3 300.471 3.702 20 0 DHADHO C[N@H+](Cc1cccs1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093336800 1021562004 /nfs/dbraw/zinc/56/20/04/1021562004.db2.gz IQGZAEDBZZXCLK-KRWDZBQOSA-N 1 3 300.471 3.702 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3c(Cl)cccc3C1)C2 ZINC001172128595 1032993768 /nfs/dbraw/zinc/99/37/68/1032993768.db2.gz SPCHBLNOHVKUFN-MUJYYYPQSA-N 1 3 304.865 3.713 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3c(Cl)cccc3C1)C2 ZINC001172128595 1032993780 /nfs/dbraw/zinc/99/37/80/1032993780.db2.gz SPCHBLNOHVKUFN-MUJYYYPQSA-N 1 3 304.865 3.713 20 0 DHADHO CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000125845692 1033000339 /nfs/dbraw/zinc/00/03/39/1033000339.db2.gz WFXWNFRPWOSFEL-IAGOWNOFSA-N 1 3 304.478 3.856 20 0 DHADHO CCOc1cccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000125845855 1033000406 /nfs/dbraw/zinc/00/04/06/1033000406.db2.gz WFXWNFRPWOSFEL-DLBZAZTESA-N 1 3 304.478 3.856 20 0 DHADHO CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(OC)cc1 ZINC001172113565 1033014396 /nfs/dbraw/zinc/01/43/96/1033014396.db2.gz DLSUGIBPFGULGT-SFNKJDCFSA-N 1 3 302.462 3.751 20 0 DHADHO CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(OC)cc1 ZINC001172113565 1033014411 /nfs/dbraw/zinc/01/44/11/1033014411.db2.gz DLSUGIBPFGULGT-SFNKJDCFSA-N 1 3 302.462 3.751 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccccc2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000556872484 1021914517 /nfs/dbraw/zinc/91/45/17/1021914517.db2.gz XTLNIPTVYJFLIM-VNQPRFMTSA-N 1 3 312.379 3.668 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccccc2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000556872484 1021914526 /nfs/dbraw/zinc/91/45/26/1021914526.db2.gz XTLNIPTVYJFLIM-VNQPRFMTSA-N 1 3 312.379 3.668 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000556872484 1021914531 /nfs/dbraw/zinc/91/45/31/1021914531.db2.gz XTLNIPTVYJFLIM-VNQPRFMTSA-N 1 3 312.379 3.668 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@H]2CCCc3ccc(F)cc32)[C@H]2CCC[C@H]21 ZINC000556880760 1021921964 /nfs/dbraw/zinc/92/19/64/1021921964.db2.gz SMZZPMUQNJJISF-XGXHKWSGSA-N 1 3 302.437 3.666 20 0 DHADHO C[N@H+]1CC[C@H](N[C@H]2CCCc3ccc(F)cc32)[C@H]2CCC[C@H]21 ZINC000556880760 1021921970 /nfs/dbraw/zinc/92/19/70/1021921970.db2.gz SMZZPMUQNJJISF-XGXHKWSGSA-N 1 3 302.437 3.666 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCCc3cc(F)ccc31)C2 ZINC001172113973 1033016586 /nfs/dbraw/zinc/01/65/86/1033016586.db2.gz LFDSWVFKOJGMIA-VXIBKDFQSA-N 1 3 302.437 3.808 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCCc3cc(F)ccc31)C2 ZINC001172113973 1033016603 /nfs/dbraw/zinc/01/66/03/1033016603.db2.gz LFDSWVFKOJGMIA-VXIBKDFQSA-N 1 3 302.437 3.808 20 0 DHADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(CC)CC ZINC000766488847 1022124423 /nfs/dbraw/zinc/12/44/23/1022124423.db2.gz OWTPCVCNGCZPCL-RTBURBONSA-N 1 3 322.537 3.967 20 0 DHADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(CC)CC ZINC000766488836 1022125324 /nfs/dbraw/zinc/12/53/24/1022125324.db2.gz OWTPCVCNGCZPCL-MOPGFXCFSA-N 1 3 322.537 3.967 20 0 DHADHO Clc1cccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166666203 1022137356 /nfs/dbraw/zinc/13/73/56/1022137356.db2.gz QWZIWEIUVLPPJA-IAGOWNOFSA-N 1 3 304.865 3.588 20 0 DHADHO Clc1cccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166666203 1022137364 /nfs/dbraw/zinc/13/73/64/1022137364.db2.gz QWZIWEIUVLPPJA-IAGOWNOFSA-N 1 3 304.865 3.588 20 0 DHADHO Fc1ccc(C2(NCc3cccc4c3CC[NH2+]C4)CCC2)cc1 ZINC000852746778 1022171607 /nfs/dbraw/zinc/17/16/07/1022171607.db2.gz STWKEOAGNLZNPA-UHFFFAOYSA-N 1 3 310.416 3.640 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccccc3nc1[C@@H]1CCCCN1)C2 ZINC001169148463 1022280400 /nfs/dbraw/zinc/28/04/00/1022280400.db2.gz ZLPMFQMFNWCCOB-DFGXFYAUSA-N 1 3 324.472 3.649 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccccc3nc1[C@@H]1CCCCN1)C2 ZINC001169148463 1022280408 /nfs/dbraw/zinc/28/04/08/1022280408.db2.gz ZLPMFQMFNWCCOB-DFGXFYAUSA-N 1 3 324.472 3.649 20 0 DHADHO CC[NH+]1CCC(N[C@@H]2CCc3ccc(C(F)(F)F)cc32)CC1 ZINC001169241268 1022321290 /nfs/dbraw/zinc/32/12/90/1022321290.db2.gz RPZUKTBMMGOCIC-MRXNPFEDSA-N 1 3 312.379 3.767 20 0 DHADHO c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CS2 ZINC001172195976 1033055117 /nfs/dbraw/zinc/05/51/17/1033055117.db2.gz CPRGOXNXRWNSAC-QGZVFWFLSA-N 1 3 316.514 3.700 20 0 DHADHO CCCN1CCC([NH2+]Cc2cccc(COC(C)(C)C)c2)CC1 ZINC000155898059 1022425636 /nfs/dbraw/zinc/42/56/36/1022425636.db2.gz UTBPLMVVJTYCPY-UHFFFAOYSA-N 1 3 318.505 3.966 20 0 DHADHO c1ccc(CN2CCCC[C@@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000309887739 1022469563 /nfs/dbraw/zinc/46/95/63/1022469563.db2.gz ADFWSPNALPKXAP-VQTJNVASSA-N 1 3 314.473 3.571 20 0 DHADHO CCN(CCCc1ccc(Cl)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236408371 1022470170 /nfs/dbraw/zinc/47/01/70/1022470170.db2.gz OZYFHQJEAKPGMG-CQSZACIVSA-N 1 3 315.288 3.857 20 0 DHADHO C[C@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272175964 1022495047 /nfs/dbraw/zinc/49/50/47/1022495047.db2.gz JBNBCYRTMUIOLI-MAUKXSAKSA-N 1 3 300.471 3.748 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC001172246552 1033065014 /nfs/dbraw/zinc/06/50/14/1033065014.db2.gz NHSYXYBOSWCGCK-LJQANCHMSA-N 1 3 322.468 3.613 20 0 DHADHO C[C@H]1CN(Cc2csc(C(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001206024370 1022589350 /nfs/dbraw/zinc/58/93/50/1022589350.db2.gz IXKRCYSIHRHLPZ-JQWIXIFHSA-N 1 3 306.397 3.574 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000159233715 1022879512 /nfs/dbraw/zinc/87/95/12/1022879512.db2.gz UNHQWQBZRJKFLZ-INIZCTEOSA-N 1 3 322.468 3.594 20 0 DHADHO CC[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc2c(c1)CCCO2 ZINC000768095062 1022880736 /nfs/dbraw/zinc/88/07/36/1022880736.db2.gz ZPTJTDXCRGHFEB-QFBILLFUSA-N 1 3 316.489 3.784 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NCc2c(OC(F)F)ccc3ccccc32)C1 ZINC000414926235 1022922031 /nfs/dbraw/zinc/92/20/31/1022922031.db2.gz NBFVELXTATWWBO-UONOGXRCSA-N 1 3 320.383 3.801 20 0 DHADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1OC(F)F ZINC000295925274 1023002650 /nfs/dbraw/zinc/00/26/50/1023002650.db2.gz KHOBOQGZHDQRDJ-FUDCBSFHSA-N 1 3 310.388 3.564 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000249978017 1023066381 /nfs/dbraw/zinc/06/63/81/1023066381.db2.gz YHLALKJDDVPFLL-SXLOBPIMSA-N 1 3 300.490 3.770 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000249978017 1023066386 /nfs/dbraw/zinc/06/63/86/1023066386.db2.gz YHLALKJDDVPFLL-SXLOBPIMSA-N 1 3 300.490 3.770 20 0 DHADHO COc1cccc2c1CCC[C@H]2[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000194920206 1023198906 /nfs/dbraw/zinc/19/89/06/1023198906.db2.gz TWAVYXYBZAWBML-GOSISDBHSA-N 1 3 316.489 3.925 20 0 DHADHO CC[C@H](C)OCC[C@H](C)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001172340442 1033122753 /nfs/dbraw/zinc/12/27/53/1033122753.db2.gz KAQPQBLGBMMVSO-GBESFXJTSA-N 1 3 310.526 3.921 20 0 DHADHO CC[C@H](C)OCC[C@H](C)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001172340442 1033122759 /nfs/dbraw/zinc/12/27/59/1033122759.db2.gz KAQPQBLGBMMVSO-GBESFXJTSA-N 1 3 310.526 3.921 20 0 DHADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660651538 1023362857 /nfs/dbraw/zinc/36/28/57/1023362857.db2.gz AWTBADMHQOJRLR-INIZCTEOSA-N 1 3 312.379 3.623 20 0 DHADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660651538 1023362861 /nfs/dbraw/zinc/36/28/61/1023362861.db2.gz AWTBADMHQOJRLR-INIZCTEOSA-N 1 3 312.379 3.623 20 0 DHADHO CC[C@H](OCC[N@@H+]1CCC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000660663070 1023369980 /nfs/dbraw/zinc/36/99/80/1023369980.db2.gz NAKGCVRZEVTKJQ-PMACEKPBSA-N 1 3 316.489 3.572 20 0 DHADHO CC[C@H](OCC[N@H+]1CCC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000660663070 1023369987 /nfs/dbraw/zinc/36/99/87/1023369987.db2.gz NAKGCVRZEVTKJQ-PMACEKPBSA-N 1 3 316.489 3.572 20 0 DHADHO CC[C@H](C)OCC[C@@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001172349351 1033131807 /nfs/dbraw/zinc/13/18/07/1033131807.db2.gz LSLBVAYNZYGXLP-CEXWTWQISA-N 1 3 322.537 3.990 20 0 DHADHO COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000651758704 1023521715 /nfs/dbraw/zinc/52/17/15/1023521715.db2.gz KZHGMTLVEXGAGG-BBWFWOEESA-N 1 3 310.526 3.680 20 0 DHADHO C[N@@H+]1CCC[C@H](CCN[C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651829492 1023578495 /nfs/dbraw/zinc/57/84/95/1023578495.db2.gz DPUUPWQHOXGLCZ-DOMZBBRYSA-N 1 3 310.844 3.788 20 0 DHADHO C[N@H+]1CCC[C@H](CCN[C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651829492 1023578502 /nfs/dbraw/zinc/57/85/02/1023578502.db2.gz DPUUPWQHOXGLCZ-DOMZBBRYSA-N 1 3 310.844 3.788 20 0 DHADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C[C@H]1C ZINC001172371891 1033152173 /nfs/dbraw/zinc/15/21/73/1033152173.db2.gz VQSOMLUNUHSVRX-HLIPFELVSA-N 1 3 315.505 3.708 20 0 DHADHO C[C@H](CCN1CCC[C@H](CCF)C1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661690251 1023688389 /nfs/dbraw/zinc/68/83/89/1023688389.db2.gz KTKWRGRNJNWMNB-KURKYZTESA-N 1 3 316.480 3.908 20 0 DHADHO C[C@H](CCN1CCC[C@H](CCF)C1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000661690251 1023688392 /nfs/dbraw/zinc/68/83/92/1023688392.db2.gz KTKWRGRNJNWMNB-KURKYZTESA-N 1 3 316.480 3.908 20 0 DHADHO C[C@H](CC[N@@H+]1CCC[C@H](CCF)C1)N1CCC[C@@H](CCF)C1 ZINC000661690251 1023688398 /nfs/dbraw/zinc/68/83/98/1023688398.db2.gz KTKWRGRNJNWMNB-KURKYZTESA-N 1 3 316.480 3.908 20 0 DHADHO C[C@H](CC[N@H+]1CCC[C@H](CCF)C1)N1CCC[C@@H](CCF)C1 ZINC000661690251 1023688402 /nfs/dbraw/zinc/68/84/02/1023688402.db2.gz KTKWRGRNJNWMNB-KURKYZTESA-N 1 3 316.480 3.908 20 0 DHADHO CC1CC[NH+](CCCCN[C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788525461 1023905453 /nfs/dbraw/zinc/90/54/53/1023905453.db2.gz DOCMKEAEXSBNFE-MRXNPFEDSA-N 1 3 321.896 3.824 20 0 DHADHO CN(C)CC[C@@H]([NH2+][C@@H]1CCc2ccc(Cl)nc21)C(C)(C)C ZINC000788602504 1023912620 /nfs/dbraw/zinc/91/26/20/1023912620.db2.gz BMPCMAHEXBAFJO-ZIAGYGMSSA-N 1 3 309.885 3.678 20 0 DHADHO CCN([C@@H]1CCOC1)C1CC[NH+]([C@H](C)CCCC(C)C)CC1 ZINC001170088697 1023927446 /nfs/dbraw/zinc/92/74/46/1023927446.db2.gz YCJHICADSVOAOH-IEBWSBKVSA-N 1 3 310.526 3.776 20 0 DHADHO CCCCC[C@H]1CCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000662153256 1023930803 /nfs/dbraw/zinc/93/08/03/1023930803.db2.gz CDWXOHITAJBQJZ-FQEVSTJZSA-N 1 3 323.569 3.837 20 0 DHADHO CCCCC[C@H]1CCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000662153256 1023930808 /nfs/dbraw/zinc/93/08/08/1023930808.db2.gz CDWXOHITAJBQJZ-FQEVSTJZSA-N 1 3 323.569 3.837 20 0 DHADHO CC[C@@H](CC(C)C)[NH+]1CCC(N)(Cc2ccc(OC)cc2)CC1 ZINC001172399732 1033183118 /nfs/dbraw/zinc/18/31/18/1033183118.db2.gz LKQGQMKZPQJSFI-SFHVURJKSA-N 1 3 318.505 3.856 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(Cc3csc4ccccc34)CC[C@@H]21 ZINC000538796558 1033180704 /nfs/dbraw/zinc/18/07/04/1033180704.db2.gz LGRYYXYUMPHBKW-PBHICJAKSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(Cc3csc4ccccc34)CC[C@@H]21 ZINC000538796558 1033180719 /nfs/dbraw/zinc/18/07/19/1033180719.db2.gz LGRYYXYUMPHBKW-PBHICJAKSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](Cc3csc4ccccc34)CC[C@@H]21 ZINC000538796558 1033180726 /nfs/dbraw/zinc/18/07/26/1033180726.db2.gz LGRYYXYUMPHBKW-PBHICJAKSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](Cc3csc4ccccc34)CC[C@@H]21 ZINC000538796558 1033180736 /nfs/dbraw/zinc/18/07/36/1033180736.db2.gz LGRYYXYUMPHBKW-PBHICJAKSA-N 1 3 300.471 3.817 20 0 DHADHO CC(C)[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccccc1F ZINC000662301867 1024087519 /nfs/dbraw/zinc/08/75/19/1024087519.db2.gz HMOCJOPWDULKOG-HXUWFJFHSA-N 1 3 312.432 3.958 20 0 DHADHO Cc1nc2c(s1)[C@@H]([NH2+]CCCN1CCC(C)CC1)CCC2 ZINC000161786256 1024107782 /nfs/dbraw/zinc/10/77/82/1024107782.db2.gz YJOQNSCYAVTNSO-HNNXBMFYSA-N 1 3 307.507 3.541 20 0 DHADHO CCN(C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318702 1024108334 /nfs/dbraw/zinc/10/83/34/1024108334.db2.gz DTJPRNFQOFMMHU-DZGCQCFKSA-N 1 3 314.395 3.568 20 0 DHADHO Cc1cc(N2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)c2ccccc2n1 ZINC001170132845 1024273227 /nfs/dbraw/zinc/27/32/27/1024273227.db2.gz OGXBMBIDXGRRIX-WBVHZDCISA-N 1 3 309.457 3.854 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000531714612 1024280573 /nfs/dbraw/zinc/28/05/73/1024280573.db2.gz BQEDPQUAOIQMLM-DLBZAZTESA-N 1 3 309.457 3.741 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000531714612 1024280586 /nfs/dbraw/zinc/28/05/86/1024280586.db2.gz BQEDPQUAOIQMLM-DLBZAZTESA-N 1 3 309.457 3.741 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CCOCc2ccccc2)C1 ZINC000877019993 1033208153 /nfs/dbraw/zinc/20/81/53/1033208153.db2.gz IQMAPVCSRBNVQH-UYAOXDASSA-N 1 3 318.505 3.692 20 0 DHADHO Fc1ccc(C2CC([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663467412 1024405117 /nfs/dbraw/zinc/40/51/17/1024405117.db2.gz FPIWMKAVVNNYBV-PPDQVPDSSA-N 1 3 316.464 3.783 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467913 1024408037 /nfs/dbraw/zinc/40/80/37/1024408037.db2.gz ILFHQXBFEWDZOS-APWZRJJASA-N 1 3 318.480 3.858 20 0 DHADHO COc1ccc2oc(C[NH2+]C3CCN(C4CCC4)CC3)cc2c1 ZINC000270663706 1024414819 /nfs/dbraw/zinc/41/48/19/1024414819.db2.gz UJMSTHDMCMOXSB-UHFFFAOYSA-N 1 3 314.429 3.548 20 0 DHADHO CCC[N@H+](C[C@H]1CCC[C@@H](c2ccccc2)O1)C1CCNCC1 ZINC000883423979 1024434026 /nfs/dbraw/zinc/43/40/26/1024434026.db2.gz AQYKSHJIFPDKJE-UXHICEINSA-N 1 3 316.489 3.761 20 0 DHADHO CCC[N@@H+](C[C@H]1CCC[C@@H](c2ccccc2)O1)C1CCNCC1 ZINC000883423979 1024434032 /nfs/dbraw/zinc/43/40/32/1024434032.db2.gz AQYKSHJIFPDKJE-UXHICEINSA-N 1 3 316.489 3.761 20 0 DHADHO CCCN(C[C@H]1CCC[C@@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883423979 1024434039 /nfs/dbraw/zinc/43/40/39/1024434039.db2.gz AQYKSHJIFPDKJE-UXHICEINSA-N 1 3 316.489 3.761 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(C(C)(C)C)cc1 ZINC000925778515 1024436812 /nfs/dbraw/zinc/43/68/12/1024436812.db2.gz JSNLZZNTWNYOCS-XJKSGUPXSA-N 1 3 310.432 3.880 20 0 DHADHO c1ccc([C@@H](C[C@@H]2CCOC2)NCCC[NH+]2CCCCC2)cc1 ZINC000166026772 1024444968 /nfs/dbraw/zinc/44/49/68/1024444968.db2.gz CWAFIVCZPWXPHD-AZUAARDMSA-N 1 3 316.489 3.620 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N3CCC[C@]4(CCOC4)C3)CC2)C1 ZINC000453346491 1024474536 /nfs/dbraw/zinc/47/45/36/1024474536.db2.gz FLLXTBZOUBHOSR-HOJAQTOUSA-N 1 3 320.521 3.532 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N3CCC[C@]4(CCOC4)C3)CC2)C1 ZINC000453346496 1024474905 /nfs/dbraw/zinc/47/49/05/1024474905.db2.gz FLLXTBZOUBHOSR-RLLQIKCJSA-N 1 3 320.521 3.532 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N2CCC[C@]3(CCOC3)C2)CC1 ZINC000453366660 1024488658 /nfs/dbraw/zinc/48/86/58/1024488658.db2.gz MEHZVMXVRLEJMY-RLLQIKCJSA-N 1 3 320.521 3.532 20 0 DHADHO CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(F)ccc1F ZINC000453365629 1024489420 /nfs/dbraw/zinc/48/94/20/1024489420.db2.gz SMJVOYVNAOQKPV-MUSFGAPCSA-N 1 3 308.416 3.877 20 0 DHADHO C[N@H+](CCCCNCc1nc(-c2ccccc2)cs1)C1CC1 ZINC000453604298 1024551501 /nfs/dbraw/zinc/55/15/01/1024551501.db2.gz YYUAQWGICFVLRE-UHFFFAOYSA-N 1 3 315.486 3.774 20 0 DHADHO C[N@@H+](CCCCNCc1nc(-c2ccccc2)cs1)C1CC1 ZINC000453604298 1024551512 /nfs/dbraw/zinc/55/15/12/1024551512.db2.gz YYUAQWGICFVLRE-UHFFFAOYSA-N 1 3 315.486 3.774 20 0 DHADHO C[C@H](NCC[C@@H]1C[NH2+]C[C@H]1C)c1csc(-c2ccccc2)n1 ZINC000925792326 1024559489 /nfs/dbraw/zinc/55/94/89/1024559489.db2.gz FTKAZFXRVFBZDM-IJEWVQPXSA-N 1 3 315.486 3.706 20 0 DHADHO Cc1ccc(C)c([C@@H](C)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000532215252 1024576579 /nfs/dbraw/zinc/57/65/79/1024576579.db2.gz IFIYZHVPKSUZHG-GOSISDBHSA-N 1 3 316.489 3.599 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2ccc3[nH]ccc3c2)c1 ZINC000655729892 1024605681 /nfs/dbraw/zinc/60/56/81/1024605681.db2.gz PBBRDPGIBDRKQD-UHFFFAOYSA-N 1 3 307.441 3.909 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc3[nH]ccc3c2)c1 ZINC000655729892 1024605687 /nfs/dbraw/zinc/60/56/87/1024605687.db2.gz PBBRDPGIBDRKQD-UHFFFAOYSA-N 1 3 307.441 3.909 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666084870 1024677343 /nfs/dbraw/zinc/67/73/43/1024677343.db2.gz OLTOTSNHBZEPMM-GOEBONIOSA-N 1 3 306.881 3.519 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666084872 1024677790 /nfs/dbraw/zinc/67/77/90/1024677790.db2.gz OLTOTSNHBZEPMM-ZBFHGGJFSA-N 1 3 306.881 3.519 20 0 DHADHO Cc1ccc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)nc1 ZINC000350515665 1024824561 /nfs/dbraw/zinc/82/45/61/1024824561.db2.gz TUWZSNKCXYKPHF-CTNGQTDRSA-N 1 3 323.484 3.562 20 0 DHADHO Cc1cc(F)ccc1[C@H](C)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000925825607 1024857138 /nfs/dbraw/zinc/85/71/38/1024857138.db2.gz ARASZOZLZUTJKT-STQMWFEESA-N 1 3 301.409 3.708 20 0 DHADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@H]2C1 ZINC001172549986 1033244537 /nfs/dbraw/zinc/24/45/37/1033244537.db2.gz SAEYBMLNPYELHZ-XRXFAXGQSA-N 1 3 312.501 3.986 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000187399116 1025009294 /nfs/dbraw/zinc/00/92/94/1025009294.db2.gz YHLALKJDDVPFLL-DFQSSKMNSA-N 1 3 300.490 3.770 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000187399116 1025009304 /nfs/dbraw/zinc/00/93/04/1025009304.db2.gz YHLALKJDDVPFLL-DFQSSKMNSA-N 1 3 300.490 3.770 20 0 DHADHO COCCCC[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000348327969 1025182941 /nfs/dbraw/zinc/18/29/41/1025182941.db2.gz UQQBKXHZCALVQA-RBUKOAKNSA-N 1 3 304.478 3.618 20 0 DHADHO COCCCC[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000348327969 1025182988 /nfs/dbraw/zinc/18/29/88/1025182988.db2.gz UQQBKXHZCALVQA-RBUKOAKNSA-N 1 3 304.478 3.618 20 0 DHADHO COCCCC[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccccc1 ZINC000348327969 1025183001 /nfs/dbraw/zinc/18/30/01/1025183001.db2.gz UQQBKXHZCALVQA-RBUKOAKNSA-N 1 3 304.478 3.618 20 0 DHADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(OC(F)F)cc1 ZINC000122839938 1025213529 /nfs/dbraw/zinc/21/35/29/1025213529.db2.gz KJMKWOFGNJWEAE-GFCCVEGCSA-N 1 3 310.388 3.565 20 0 DHADHO Cc1scc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1C ZINC000635024372 1025219843 /nfs/dbraw/zinc/21/98/43/1025219843.db2.gz XHSIQFCOFNUXEW-ROUUACIJSA-N 1 3 300.471 3.948 20 0 DHADHO CCCC[C@H](CC)CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000438095966 1025371036 /nfs/dbraw/zinc/37/10/36/1025371036.db2.gz IHZQLCJDCNUQHB-PMACEKPBSA-N 1 3 323.569 3.695 20 0 DHADHO CCCC[C@H](CC)CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000438095966 1025371051 /nfs/dbraw/zinc/37/10/51/1025371051.db2.gz IHZQLCJDCNUQHB-PMACEKPBSA-N 1 3 323.569 3.695 20 0 DHADHO CC(C)(C[NH2+][C@H]1CCOC2(CCCCC2)C1)CN1CCCC1 ZINC000886089388 1025467945 /nfs/dbraw/zinc/46/79/45/1025467945.db2.gz AKWVBUJXQKVBGU-KRWDZBQOSA-N 1 3 308.510 3.580 20 0 DHADHO Cc1nc2c(s1)[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)CCC2 ZINC000125628794 1025484516 /nfs/dbraw/zinc/48/45/16/1025484516.db2.gz KROIOIZEOVQVAJ-UKRRQHHQSA-N 1 3 307.507 3.541 20 0 DHADHO C[C@@H](NCCOC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127664 1025520248 /nfs/dbraw/zinc/52/02/48/1025520248.db2.gz PFHLXSQZMYKKAD-IAGOWNOFSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H](NCCOC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127664 1025520256 /nfs/dbraw/zinc/52/02/56/1025520256.db2.gz PFHLXSQZMYKKAD-IAGOWNOFSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H]([NH2+]CCOC1CCCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000886127664 1025520271 /nfs/dbraw/zinc/52/02/71/1025520271.db2.gz PFHLXSQZMYKKAD-IAGOWNOFSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCc2nccs2)CC1 ZINC000359872581 1025725050 /nfs/dbraw/zinc/72/50/50/1025725050.db2.gz PFYFFRYPWZODLW-NVXWUHKLSA-N 1 3 321.534 3.708 20 0 DHADHO CN(C)CC(C)(C)C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000132153180 1025731762 /nfs/dbraw/zinc/73/17/62/1025731762.db2.gz FYHWFBXZEHWVSA-INIZCTEOSA-N 1 3 302.462 3.610 20 0 DHADHO CCCc1nc(C)c(CNC2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000886614140 1025741186 /nfs/dbraw/zinc/74/11/86/1025741186.db2.gz NZUYVQONFNJSMW-UHFFFAOYSA-N 1 3 319.493 3.822 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C/C=C/c1ccc(F)c(F)c1)C2 ZINC000289623759 1026106005 /nfs/dbraw/zinc/10/60/05/1026106005.db2.gz LRLHJZLLVBPQMV-WJBHPKHRSA-N 1 3 306.400 3.535 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C/C=C/c1ccc(F)c(F)c1)C2 ZINC000289623759 1026106015 /nfs/dbraw/zinc/10/60/15/1026106015.db2.gz LRLHJZLLVBPQMV-WJBHPKHRSA-N 1 3 306.400 3.535 20 0 DHADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000513014102 1026175471 /nfs/dbraw/zinc/17/54/71/1026175471.db2.gz FFJSTNNOQRCDIB-DKGMDFAASA-N 1 3 304.865 3.817 20 0 DHADHO C/C(=C\c1ccc(Cl)cc1)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000513014102 1026175481 /nfs/dbraw/zinc/17/54/81/1026175481.db2.gz FFJSTNNOQRCDIB-DKGMDFAASA-N 1 3 304.865 3.817 20 0 DHADHO C/C(=C\c1ccc(Cl)cc1)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000513014102 1026175492 /nfs/dbraw/zinc/17/54/92/1026175492.db2.gz FFJSTNNOQRCDIB-DKGMDFAASA-N 1 3 304.865 3.817 20 0 DHADHO Cc1ccc(CNCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000513544743 1026537723 /nfs/dbraw/zinc/53/77/23/1026537723.db2.gz LWNAGSUBTSNWDX-APWZRJJASA-N 1 3 312.457 3.978 20 0 DHADHO Cc1ccc(CNCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000513544743 1026537732 /nfs/dbraw/zinc/53/77/32/1026537732.db2.gz LWNAGSUBTSNWDX-APWZRJJASA-N 1 3 312.457 3.978 20 0 DHADHO Cc1cc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(C)o1 ZINC000809703545 1026599665 /nfs/dbraw/zinc/59/96/65/1026599665.db2.gz MDVBXJZRGYDNPR-NRFANRHFSA-N 1 3 324.468 3.994 20 0 DHADHO Cc1cc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(C)o1 ZINC000809703545 1026599670 /nfs/dbraw/zinc/59/96/70/1026599670.db2.gz MDVBXJZRGYDNPR-NRFANRHFSA-N 1 3 324.468 3.994 20 0 DHADHO COc1ccccc1/C=C/CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739117 1026610694 /nfs/dbraw/zinc/61/06/94/1026610694.db2.gz XWKRCMZSAMXMNI-VQHVLOKHSA-N 1 3 324.468 3.902 20 0 DHADHO CC(C)c1ccccc1OCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000513707749 1026755221 /nfs/dbraw/zinc/75/52/21/1026755221.db2.gz IIRLWONNXXVGHQ-OTWHNJEPSA-N 1 3 316.489 3.651 20 0 DHADHO [NH3+]C[C@@H]1CN(Cc2cccc(C(F)F)c2)C[C@H]1c1ccccc1 ZINC000420315361 1026799134 /nfs/dbraw/zinc/79/91/34/1026799134.db2.gz LYMZKKJPPJHIPM-MSOLQXFVSA-N 1 3 316.395 3.799 20 0 DHADHO Cc1cccc(-c2c[nH]c([C@@H]3CCCN3CC[C@H]3CC[NH2+]C3)n2)c1 ZINC000420308006 1026801366 /nfs/dbraw/zinc/80/13/66/1026801366.db2.gz CHKLIVSCERIUBK-APWZRJJASA-N 1 3 324.472 3.522 20 0 DHADHO C[C@@H](c1cccc(Br)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000420325384 1026802448 /nfs/dbraw/zinc/80/24/48/1026802448.db2.gz BQWVLPRTWJRPLA-ZDUSSCGKSA-N 1 3 323.278 3.586 20 0 DHADHO Cc1occc1C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000414452441 1026806827 /nfs/dbraw/zinc/80/68/27/1026806827.db2.gz LCXARALNBFQQIN-WOJBJXKFSA-N 1 3 310.441 3.542 20 0 DHADHO Cc1occc1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000414452441 1026806833 /nfs/dbraw/zinc/80/68/33/1026806833.db2.gz LCXARALNBFQQIN-WOJBJXKFSA-N 1 3 310.441 3.542 20 0 DHADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000561955063 1027141631 /nfs/dbraw/zinc/14/16/31/1027141631.db2.gz OVOANQDZNMILJP-QUCCMNQESA-N 1 3 302.506 3.823 20 0 DHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000561956510 1027142347 /nfs/dbraw/zinc/14/23/47/1027142347.db2.gz HRGURFJVPFUQJU-RTBURBONSA-N 1 3 323.569 3.549 20 0 DHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000561956510 1027142354 /nfs/dbraw/zinc/14/23/54/1027142354.db2.gz HRGURFJVPFUQJU-RTBURBONSA-N 1 3 323.569 3.549 20 0 DHADHO CCOc1ccc(Cl)cc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000271864812 1027166839 /nfs/dbraw/zinc/16/68/39/1027166839.db2.gz LFVKQFUYHCKPFD-ZDUSSCGKSA-N 1 3 308.853 3.651 20 0 DHADHO CCOc1ccc(Cl)cc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000271864812 1027166857 /nfs/dbraw/zinc/16/68/57/1027166857.db2.gz LFVKQFUYHCKPFD-ZDUSSCGKSA-N 1 3 308.853 3.651 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170663430 1027190334 /nfs/dbraw/zinc/19/03/34/1027190334.db2.gz BCLIEKLAFINXDV-RHSMWYFYSA-N 1 3 322.443 3.676 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422758585 1027307884 /nfs/dbraw/zinc/30/78/84/1027307884.db2.gz KLAYHDQSCJGZCY-QFBILLFUSA-N 1 3 314.498 3.790 20 0 DHADHO Cc1ccccc1[C@H](C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422741375 1027310477 /nfs/dbraw/zinc/31/04/77/1027310477.db2.gz DJBSSWIQPRFTER-NBHGPNQESA-N 1 3 322.452 3.902 20 0 DHADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422742853 1027310697 /nfs/dbraw/zinc/31/06/97/1027310697.db2.gz QUXDUFSUQRSYSL-YDPGBSGYSA-N 1 3 321.468 3.556 20 0 DHADHO N[C@H]1C[C@H]([NH2+]CCSCc2ccccc2F)c2ccccc21 ZINC000422773661 1027315647 /nfs/dbraw/zinc/31/56/47/1027315647.db2.gz UMCMNMSWFRYCMB-ROUUACIJSA-N 1 3 316.445 3.793 20 0 DHADHO Cc1cccc2c(CC[NH2+][C@H](C)c3ccc(CN)nc3C)c[nH]c21 ZINC000422782740 1027317387 /nfs/dbraw/zinc/31/73/87/1027317387.db2.gz MBCYNDAHFOORPP-CQSZACIVSA-N 1 3 322.456 3.532 20 0 DHADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422776939 1027318814 /nfs/dbraw/zinc/31/88/14/1027318814.db2.gz BHHORYLWPXJEPK-LSDHHAIUSA-N 1 3 312.379 3.597 20 0 DHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)c1ccccc1F ZINC000422848782 1027340744 /nfs/dbraw/zinc/34/07/44/1027340744.db2.gz KKUXLUAFTTVSOI-BEFAXECRSA-N 1 3 314.448 3.651 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)c1c(Cl)cccc1Cl ZINC000422884419 1027350164 /nfs/dbraw/zinc/35/01/64/1027350164.db2.gz WXMNXPBOJJBTFN-SUNKGSAMSA-N 1 3 301.261 3.814 20 0 DHADHO C[C@H]([NH2+]CCc1nc(C2CCCCC2)cs1)[C@@H]1CCCCN1 ZINC000422906659 1027358129 /nfs/dbraw/zinc/35/81/29/1027358129.db2.gz ABEIPJGARLISRW-HOCLYGCPSA-N 1 3 321.534 3.854 20 0 DHADHO C[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@H]1Oc2ccccc2[C@@H]1C ZINC000422922256 1027362023 /nfs/dbraw/zinc/36/20/23/1027362023.db2.gz SIPSWSXQTHQWQV-WVDHAAHHSA-N 1 3 308.425 3.674 20 0 DHADHO Cc1ccc(-c2cccc(CN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])c2)cc1 ZINC000422929004 1027366075 /nfs/dbraw/zinc/36/60/75/1027366075.db2.gz NWMFYWSFGNOAGT-ORYQWCPZSA-N 1 3 324.468 3.504 20 0 DHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccc(F)cc1Cl ZINC000422955458 1027378709 /nfs/dbraw/zinc/37/87/09/1027378709.db2.gz LYOKNBOEYZTYCQ-ACJLOTCBSA-N 1 3 320.839 3.570 20 0 DHADHO CC(C)c1ccccc1OCC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000422955591 1027379642 /nfs/dbraw/zinc/37/96/42/1027379642.db2.gz JQTWAKOLYNYCLD-RBUKOAKNSA-N 1 3 310.441 3.923 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCc2cc(Cl)ccc21 ZINC000422950169 1027380555 /nfs/dbraw/zinc/38/05/55/1027380555.db2.gz XGBFJOXKHQHFCK-SGTLLEGYSA-N 1 3 315.848 3.840 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCC(C(C)C)CC1 ZINC000422990237 1027382110 /nfs/dbraw/zinc/38/21/10/1027382110.db2.gz MYIIIKHJYZRKSI-ODIFPOPNSA-N 1 3 303.494 3.962 20 0 DHADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)c2ccccc21 ZINC000422994803 1027383976 /nfs/dbraw/zinc/38/39/76/1027383976.db2.gz WIJUFHWONRERFQ-ANULTFPQSA-N 1 3 322.452 3.859 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCC2(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000422993581 1027384292 /nfs/dbraw/zinc/38/42/92/1027384292.db2.gz RPCIQLQWRRPLLR-RBUKOAKNSA-N 1 3 310.416 3.883 20 0 DHADHO C[C@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000423019319 1027389956 /nfs/dbraw/zinc/38/99/56/1027389956.db2.gz VBSWWRLYGWSZCE-SGIREYDYSA-N 1 3 312.379 3.744 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423015703 1027390318 /nfs/dbraw/zinc/39/03/18/1027390318.db2.gz LFAJQIYBTWQGHP-ZIBATOQPSA-N 1 3 300.368 3.872 20 0 DHADHO CCOc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1F ZINC000562365126 1027391918 /nfs/dbraw/zinc/39/19/18/1027391918.db2.gz OGTQEQIQZFUJSU-UHFFFAOYSA-N 1 3 322.468 3.777 20 0 DHADHO CCOc1ccc(Cl)cc1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423008614 1027391926 /nfs/dbraw/zinc/39/19/26/1027391926.db2.gz ARELBFXBFWVDOI-JKSUJKDBSA-N 1 3 310.869 3.531 20 0 DHADHO CCOc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1F ZINC000562365126 1027391930 /nfs/dbraw/zinc/39/19/30/1027391930.db2.gz OGTQEQIQZFUJSU-UHFFFAOYSA-N 1 3 322.468 3.777 20 0 DHADHO CC(C)(C)c1nc(CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)cs1 ZINC000423021137 1027392988 /nfs/dbraw/zinc/39/29/88/1027392988.db2.gz DMNWULJEJDHPBY-JKSUJKDBSA-N 1 3 315.486 3.718 20 0 DHADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423024132 1027394255 /nfs/dbraw/zinc/39/42/55/1027394255.db2.gz LBMRARBNAYUHHI-CVEARBPZSA-N 1 3 310.844 3.760 20 0 DHADHO CC(C)(C)c1nc(CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)cs1 ZINC000423021136 1027394570 /nfs/dbraw/zinc/39/45/70/1027394570.db2.gz DMNWULJEJDHPBY-HZPDHXFCSA-N 1 3 315.486 3.718 20 0 DHADHO Cc1ccc2c(CCN[C@H]3C[C@@H]([NH3+])c4ccccc43)cn(C)c2c1 ZINC000423064240 1027403987 /nfs/dbraw/zinc/40/39/87/1027403987.db2.gz YOTOTVJUTAEXBO-UXHICEINSA-N 1 3 319.452 3.764 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423098634 1027413803 /nfs/dbraw/zinc/41/38/03/1027413803.db2.gz CZYUPKLJEFZXEL-FIXISWKDSA-N 1 3 316.367 3.752 20 0 DHADHO NC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423093736 1027413909 /nfs/dbraw/zinc/41/39/09/1027413909.db2.gz AFZMDSFYVWDMMF-BRXULGCHSA-N 1 3 313.272 3.956 20 0 DHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423119360 1027417541 /nfs/dbraw/zinc/41/75/41/1027417541.db2.gz CFCPVTLBRBNEFM-OAGGEKHMSA-N 1 3 314.395 3.657 20 0 DHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000423100274 1027418356 /nfs/dbraw/zinc/41/83/56/1027418356.db2.gz UZSKVYXEHGURON-VERUCKTNSA-N 1 3 312.432 3.620 20 0 DHADHO COCCC[C@H](C[NH2+][C@H]1CCC[C@H]1CN)c1ccc(Cl)cc1 ZINC000423100370 1027418745 /nfs/dbraw/zinc/41/87/45/1027418745.db2.gz GUJGYMNSCAXMEC-JZXOWHBKSA-N 1 3 324.896 3.567 20 0 DHADHO FC(F)(F)c1cccc([C@H]2CCC[C@H]2[NH2+]C2CCNCC2)c1 ZINC000423111158 1027427626 /nfs/dbraw/zinc/42/76/26/1027427626.db2.gz VZOKRPVDIMGPOC-HZPDHXFCSA-N 1 3 312.379 3.683 20 0 DHADHO FC(F)(F)C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCC1 ZINC000423111956 1027427906 /nfs/dbraw/zinc/42/79/06/1027427906.db2.gz RJFJTAYCYLQGFA-MELADBBJSA-N 1 3 304.400 3.619 20 0 DHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000423150628 1027431742 /nfs/dbraw/zinc/43/17/42/1027431742.db2.gz BMUSHRMEJLFITA-SGFLJFKBSA-N 1 3 323.278 3.712 20 0 DHADHO CCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(OC)cc1 ZINC000295820802 1027442461 /nfs/dbraw/zinc/44/24/61/1027442461.db2.gz BSVCTQNXCWVJDV-RGPMPMONSA-N 1 3 302.462 3.751 20 0 DHADHO CCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC)cc1 ZINC000295820802 1027442468 /nfs/dbraw/zinc/44/24/68/1027442468.db2.gz BSVCTQNXCWVJDV-RGPMPMONSA-N 1 3 302.462 3.751 20 0 DHADHO NC1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCCC1 ZINC000423179949 1027442793 /nfs/dbraw/zinc/44/27/93/1027442793.db2.gz NAKFIQYIJBERTD-QAPCUYQASA-N 1 3 320.452 3.545 20 0 DHADHO CCC[C@H](NCCC[NH2+]Cc1cccnc1)c1ccsc1 ZINC000423190230 1027449313 /nfs/dbraw/zinc/44/93/13/1027449313.db2.gz QQIUCXRVLPDTDW-KRWDZBQOSA-N 1 3 303.475 3.754 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(SC(F)F)cc1 ZINC000158246972 1027459191 /nfs/dbraw/zinc/45/91/91/1027459191.db2.gz FGLXVDZLHLZTNG-QWHCGFSZSA-N 1 3 314.445 3.994 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(SC(F)F)cc1 ZINC000158246972 1027459198 /nfs/dbraw/zinc/45/91/98/1027459198.db2.gz FGLXVDZLHLZTNG-QWHCGFSZSA-N 1 3 314.445 3.994 20 0 DHADHO FC(F)(F)c1cccc(C2CCC([NH2+][C@@H]3CCNC3)CC2)c1 ZINC000423218196 1027462323 /nfs/dbraw/zinc/46/23/23/1027462323.db2.gz UARAIIWZQMIVRI-VDSRIPIWSA-N 1 3 312.379 3.683 20 0 DHADHO COc1ccc([C@@H](CCC(C)C)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000423219091 1027462608 /nfs/dbraw/zinc/46/26/08/1027462608.db2.gz WBLXDEPKUMJSEN-QFBILLFUSA-N 1 3 304.478 3.762 20 0 DHADHO CC(C)[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423220686 1027462647 /nfs/dbraw/zinc/46/26/47/1027462647.db2.gz YVESWZNXAQRPKH-BBRMVZONSA-N 1 3 314.395 3.992 20 0 DHADHO CC(C)[C@@H](N)C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423284475 1027483626 /nfs/dbraw/zinc/48/36/26/1027483626.db2.gz YBIPJRDMUILJFG-ROUUACIJSA-N 1 3 317.864 3.592 20 0 DHADHO Cc1nc2c(s1)[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCC2 ZINC000423292055 1027485866 /nfs/dbraw/zinc/48/58/66/1027485866.db2.gz LBRBMTYLKGEGCW-IAQYHMDHSA-N 1 3 301.459 3.638 20 0 DHADHO CCc1nc2c(s1)[C@H](NCc1ccc([C@H](C)[NH3+])cc1)CCC2 ZINC000423293208 1027489836 /nfs/dbraw/zinc/48/98/36/1027489836.db2.gz QGTGXSVYSUNFPH-SWLSCSKDSA-N 1 3 315.486 3.892 20 0 DHADHO Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3C)CCCO2 ZINC000295923102 1027491673 /nfs/dbraw/zinc/49/16/73/1027491673.db2.gz KAMVCSNECKEXON-PHSGOXPASA-N 1 3 314.473 3.732 20 0 DHADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423275709 1027493778 /nfs/dbraw/zinc/49/37/78/1027493778.db2.gz NMNAVRNMSZPXSH-BXUZGUMPSA-N 1 3 320.424 3.975 20 0 DHADHO CC(C)[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310387 1027497135 /nfs/dbraw/zinc/49/71/35/1027497135.db2.gz AEVXOIHCLWRJJU-HUUCEWRRSA-N 1 3 300.368 3.729 20 0 DHADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(SCC(F)F)cc1 ZINC000423319930 1027499274 /nfs/dbraw/zinc/49/92/74/1027499274.db2.gz FSJWGXDBGVVHLC-LLVKDONJSA-N 1 3 300.418 3.576 20 0 DHADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423294568 1027499639 /nfs/dbraw/zinc/49/96/39/1027499639.db2.gz UVZRKXSJJQMKJL-UONOGXRCSA-N 1 3 311.429 3.516 20 0 DHADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CSCCc3ccccc32)cc1 ZINC000423295865 1027503068 /nfs/dbraw/zinc/50/30/68/1027503068.db2.gz XOWXPKSIOIICQI-LIRRHRJNSA-N 1 3 312.482 3.827 20 0 DHADHO CCCC[C@@H](CN)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423300462 1027505226 /nfs/dbraw/zinc/50/52/26/1027505226.db2.gz RQZNSPRTRRYLOP-ONGXEEELSA-N 1 3 317.296 3.605 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@]1(C)CCC[NH2+]C1 ZINC000423349118 1027516809 /nfs/dbraw/zinc/51/68/09/1027516809.db2.gz VEAJFJCZQCMWFZ-AZUAARDMSA-N 1 3 311.473 3.833 20 0 DHADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(OC(F)F)c1 ZINC000423367952 1027522977 /nfs/dbraw/zinc/52/29/77/1027522977.db2.gz ZFUGAXQSPUHXDS-GFCCVEGCSA-N 1 3 318.367 3.742 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000423393101 1027534275 /nfs/dbraw/zinc/53/42/75/1027534275.db2.gz QJIUYGRVFWZHLJ-USXIJHARSA-N 1 3 320.477 3.795 20 0 DHADHO [NH3+]C[C@H]1CC[C@H](CN[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000423434327 1027550741 /nfs/dbraw/zinc/55/07/41/1027550741.db2.gz XSAAYWVQKZUUBQ-ZWOKBUDYSA-N 1 3 309.457 3.526 20 0 DHADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423437144 1027553443 /nfs/dbraw/zinc/55/34/43/1027553443.db2.gz GDAARXFLJYLGBS-MXWKQRLJSA-N 1 3 306.397 3.727 20 0 DHADHO CC[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000296138408 1027555471 /nfs/dbraw/zinc/55/54/71/1027555471.db2.gz WCRIYZCNAYWIBN-SFHVURJKSA-N 1 3 318.486 3.929 20 0 DHADHO C[C@@H]1[C@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000423509335 1027574401 /nfs/dbraw/zinc/57/44/01/1027574401.db2.gz JMMBOCCBBANMKM-NVYAHWSDSA-N 1 3 306.453 3.524 20 0 DHADHO COc1ccc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)c(F)c1 ZINC000423517485 1027576314 /nfs/dbraw/zinc/57/63/14/1027576314.db2.gz YXLVHSWTZAFUTH-AUUYWEPGSA-N 1 3 316.420 3.965 20 0 DHADHO COc1ccc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)c(F)c1 ZINC000423517486 1027577229 /nfs/dbraw/zinc/57/72/29/1027577229.db2.gz YXLVHSWTZAFUTH-IFXJQAMLSA-N 1 3 316.420 3.965 20 0 DHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1 ZINC000423535260 1027583583 /nfs/dbraw/zinc/58/35/83/1027583583.db2.gz XFVOUNLLCBASCV-WWEWDKITSA-N 1 3 324.468 3.532 20 0 DHADHO C[C@@H]([NH2+]CC1Cc2ccccc2C1)[C@H]1CCCN(C2CCC2)C1 ZINC000578109296 1028051659 /nfs/dbraw/zinc/05/16/59/1028051659.db2.gz DSBWKDFISCUPMP-UZLBHIALSA-N 1 3 312.501 3.644 20 0 DHADHO Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000367634875 1028217425 /nfs/dbraw/zinc/21/74/25/1028217425.db2.gz PGQVMHRLQOGPLV-GUYCJALGSA-N 1 3 320.864 3.628 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(CC)cn2)CC1 ZINC000579146446 1028333517 /nfs/dbraw/zinc/33/35/17/1028333517.db2.gz HLVIQGZXHLMQOL-UHFFFAOYSA-N 1 3 303.494 3.588 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(CC)cn2)CC1 ZINC000579146446 1028333531 /nfs/dbraw/zinc/33/35/31/1028333531.db2.gz HLVIQGZXHLMQOL-UHFFFAOYSA-N 1 3 303.494 3.588 20 0 DHADHO C[C@H](CC1CC1)[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000368401981 1028349893 /nfs/dbraw/zinc/34/98/93/1028349893.db2.gz IAHMJVKKOYXQAC-QAPCUYQASA-N 1 3 314.473 3.753 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCCC12CCN(C)CC2 ZINC000368565375 1028372526 /nfs/dbraw/zinc/37/25/26/1028372526.db2.gz CVAHYOQGKUWDBB-IBGZPJMESA-N 1 3 314.473 3.633 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2[N@H+]1CCCC12CCN(C)CC2 ZINC000368565375 1028372544 /nfs/dbraw/zinc/37/25/44/1028372544.db2.gz CVAHYOQGKUWDBB-IBGZPJMESA-N 1 3 314.473 3.633 20 0 DHADHO C/C(=C\c1ccccc1OC(F)F)CN[C@@H](C)CC[NH+](C)C ZINC000564415319 1028434023 /nfs/dbraw/zinc/43/40/23/1028434023.db2.gz NLIWUKAPFZFAOQ-CMPYXILNSA-N 1 3 312.404 3.621 20 0 DHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000565227002 1028561432 /nfs/dbraw/zinc/56/14/32/1028561432.db2.gz SWPBRYJDHYTVDG-HDMKZQKVSA-N 1 3 323.912 3.582 20 0 DHADHO CC(F)(F)CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449348196 1028562792 /nfs/dbraw/zinc/56/27/92/1028562792.db2.gz BNJKUYPILCFBAN-OKZBNKHCSA-N 1 3 322.443 3.922 20 0 DHADHO C[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@@]1(C)CCCO1 ZINC000815570828 1028565934 /nfs/dbraw/zinc/56/59/34/1028565934.db2.gz NDDWPTBJQNHPSO-VQIMIIECSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@@]1(C)CCCO1 ZINC000815570828 1028565951 /nfs/dbraw/zinc/56/59/51/1028565951.db2.gz NDDWPTBJQNHPSO-VQIMIIECSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](CC(C)(C)O)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449449959 1028654334 /nfs/dbraw/zinc/65/43/34/1028654334.db2.gz NBFFEMXLVVZKEX-OAHLLOKOSA-N 1 3 312.542 3.805 20 0 DHADHO Cc1cc(C)c(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000449736583 1028957082 /nfs/dbraw/zinc/95/70/82/1028957082.db2.gz WBEKDYRTPBOZRL-QUCCMNQESA-N 1 3 323.484 3.699 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000568008320 1028991835 /nfs/dbraw/zinc/99/18/35/1028991835.db2.gz VALQUYPZOHNXEE-RRLKHEDLSA-N 1 3 301.478 3.714 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000568933614 1029148020 /nfs/dbraw/zinc/14/80/20/1029148020.db2.gz YFVISPBXRMZKIO-ASFAAARLSA-N 1 3 322.443 3.921 20 0 DHADHO Cc1cccc(C)c1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817908199 1029273123 /nfs/dbraw/zinc/27/31/23/1029273123.db2.gz PUFVZIVABGLWQW-TZIWHRDSSA-N 1 3 322.452 3.649 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccc3sccc3c2)[C@H]2CCC[C@H]21 ZINC000569892574 1029283183 /nfs/dbraw/zinc/28/31/83/1029283183.db2.gz PXKJIWUZMVGQTR-IXDOHACOSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccc3sccc3c2)[C@H]2CCC[C@H]21 ZINC000569892574 1029283197 /nfs/dbraw/zinc/28/31/97/1029283197.db2.gz PXKJIWUZMVGQTR-IXDOHACOSA-N 1 3 300.471 3.864 20 0 DHADHO FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]CCNC1CC1 ZINC000817953568 1029293281 /nfs/dbraw/zinc/29/32/81/1029293281.db2.gz OLSGRZWKCLPLDU-OAHLLOKOSA-N 1 3 312.429 3.720 20 0 DHADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCC1CCCCC1 ZINC000570366397 1029357531 /nfs/dbraw/zinc/35/75/31/1029357531.db2.gz ZKJBVMBUAZONGJ-QRVBRYPASA-N 1 3 308.510 3.530 20 0 DHADHO CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CN)C1 ZINC000629560126 1029366766 /nfs/dbraw/zinc/36/67/66/1029366766.db2.gz CXGARVLERKGAEL-MJBXVCDLSA-N 1 3 306.416 3.662 20 0 DHADHO CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CN)C1 ZINC000629560126 1029366774 /nfs/dbraw/zinc/36/67/74/1029366774.db2.gz CXGARVLERKGAEL-MJBXVCDLSA-N 1 3 306.416 3.662 20 0 DHADHO N[C@H](CCC[NH3+])Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001170900225 1029367272 /nfs/dbraw/zinc/36/72/72/1029367272.db2.gz JQIIMCUNZOYQME-INIZCTEOSA-N 1 3 323.362 3.808 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)ccc1OC ZINC000818358650 1029384029 /nfs/dbraw/zinc/38/40/29/1029384029.db2.gz FGFNWXIRDUPUHW-RMRDIRSESA-N 1 3 316.489 3.986 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(Cl)c(OC)c2)[C@H](C)C1 ZINC000450572357 1029554614 /nfs/dbraw/zinc/55/46/14/1029554614.db2.gz UNMRBPNGXKBYNZ-CZUORRHYSA-N 1 3 310.869 3.511 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)c(OC)c2)[C@H](C)C1 ZINC000450572357 1029554616 /nfs/dbraw/zinc/55/46/16/1029554616.db2.gz UNMRBPNGXKBYNZ-CZUORRHYSA-N 1 3 310.869 3.511 20 0 DHADHO C[C@@H](N[C@H](CCO)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000820811785 1029769718 /nfs/dbraw/zinc/76/97/18/1029769718.db2.gz WDCUNDQZARJKGO-OXQOHEQNSA-N 1 3 312.457 3.523 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C1CCC1)C1CCC1 ZINC000530211642 1029785420 /nfs/dbraw/zinc/78/54/20/1029785420.db2.gz NLUIOTBALKMNTQ-ZDUSSCGKSA-N 1 3 301.478 3.716 20 0 DHADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000392248907 1029814701 /nfs/dbraw/zinc/81/47/01/1029814701.db2.gz SEBANFAQDMLDCC-LBPRGKRZSA-N 1 3 307.507 3.662 20 0 DHADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000392248907 1029814711 /nfs/dbraw/zinc/81/47/11/1029814711.db2.gz SEBANFAQDMLDCC-LBPRGKRZSA-N 1 3 307.507 3.662 20 0 DHADHO CC[C@H](C[C@](C)(O)CC)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925209241 1030306512 /nfs/dbraw/zinc/30/65/12/1030306512.db2.gz WQSHUWAUAYTTQG-VQIMIIECSA-N 1 3 310.526 3.703 20 0 DHADHO Cc1nc([C@H](C)NCCC2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000866467304 1030306497 /nfs/dbraw/zinc/30/64/97/1030306497.db2.gz CNPLIUNJFCRJGG-ZDUSSCGKSA-N 1 3 309.523 3.921 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCC1CC[NH+](C(C)C)CC1 ZINC000866467439 1030309635 /nfs/dbraw/zinc/30/96/35/1030309635.db2.gz IBCKLKCEPVXTLW-AWEZNQCLSA-N 1 3 307.482 3.707 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCCC2 ZINC000151983801 1030372199 /nfs/dbraw/zinc/37/21/99/1030372199.db2.gz RAPLSSQJHILHLA-RBUKOAKNSA-N 1 3 320.521 3.721 20 0 DHADHO CC[C@H]1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC000823747994 1030388290 /nfs/dbraw/zinc/38/82/90/1030388290.db2.gz PYUBANRSNQCSBJ-MOPGFXCFSA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)c1nc(CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cs1 ZINC000925564370 1030404385 /nfs/dbraw/zinc/40/43/85/1030404385.db2.gz HXBFATOVGALVTA-SJORKVTESA-N 1 3 321.534 3.567 20 0 DHADHO C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000925635612 1030430113 /nfs/dbraw/zinc/43/01/13/1030430113.db2.gz STPUKDOAHHFJOJ-IERDGZPVSA-N 1 3 323.484 3.586 20 0 DHADHO Cc1cc([C@H](C)NCCC(C)(C)[NH3+])sc1Br ZINC000925736608 1030471522 /nfs/dbraw/zinc/47/15/22/1030471522.db2.gz BYKPVFBQRNLDFX-VIFPVBQESA-N 1 3 305.285 3.597 20 0 DHADHO CCSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CNCCC1(F)F ZINC000925786517 1030497739 /nfs/dbraw/zinc/49/77/39/1030497739.db2.gz WRZXYMAAZYNEJB-CHWSQXEVSA-N 1 3 314.445 3.694 20 0 DHADHO c1cnc2ccc(CC[NH2+][C@H]3CCNC[C@@H]3C3CCCC3)cc2c1 ZINC000925815362 1030508264 /nfs/dbraw/zinc/50/82/64/1030508264.db2.gz XBMRQQILWQMGKA-CTNGQTDRSA-N 1 3 323.484 3.535 20 0 DHADHO CSC1(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCC1 ZINC000558567328 1030650723 /nfs/dbraw/zinc/65/07/23/1030650723.db2.gz TYUCPSYWUUFAHQ-QGZVFWFLSA-N 1 3 310.551 3.716 20 0 DHADHO C[C@@H]1CCC[C@@H](C)N1CC1(C[NH+]2[C@H](C)CCC[C@H]2C)COC1 ZINC000247854952 1030707300 /nfs/dbraw/zinc/70/73/00/1030707300.db2.gz XUWHIKDAYDZXBY-BRSBDYLESA-N 1 3 308.510 3.529 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000248887255 1030773022 /nfs/dbraw/zinc/77/30/22/1030773022.db2.gz MNJUDTGFVOSZBU-LPHOPBHVSA-N 1 3 301.478 3.643 20 0 DHADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926573577 1030804513 /nfs/dbraw/zinc/80/45/13/1030804513.db2.gz NTUNMFKHUSUWMO-HOTGVXAUSA-N 1 3 313.445 3.724 20 0 DHADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926573577 1030804533 /nfs/dbraw/zinc/80/45/33/1030804533.db2.gz NTUNMFKHUSUWMO-HOTGVXAUSA-N 1 3 313.445 3.724 20 0 DHADHO Cc1cc(C)c2c(c1)[C@H]([NH2+]CC(C)(C)CN(C)C)CCCO2 ZINC000359373075 1030932515 /nfs/dbraw/zinc/93/25/15/1030932515.db2.gz UAULEQHMHKFEHX-QGZVFWFLSA-N 1 3 304.478 3.695 20 0 DHADHO CCc1noc(C)c1[C@H](C)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927038537 1031047088 /nfs/dbraw/zinc/04/70/88/1031047088.db2.gz PGXVWRUJYYXACI-UQHVZDHRSA-N 1 3 305.466 3.603 20 0 DHADHO COc1ccc([C@@H](NC2CC[NH+](C(C)C)CC2)C2CCC2)cc1 ZINC000927067366 1031064694 /nfs/dbraw/zinc/06/46/94/1031064694.db2.gz PTWBHIZYASROAK-FQEVSTJZSA-N 1 3 316.489 3.999 20 0 DHADHO C[NH2+]CCC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000261978373 1031084327 /nfs/dbraw/zinc/08/43/27/1031084327.db2.gz GXYYAPLMTAOLSR-UHFFFAOYSA-N 1 3 317.864 3.710 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CC[C@H]2OCCc3ccccc32)CC1 ZINC000927114783 1031098210 /nfs/dbraw/zinc/09/82/10/1031098210.db2.gz FRUCMYZRYACUST-LJQANCHMSA-N 1 3 316.489 3.543 20 0 DHADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccnc(Cl)c1 ZINC000123672087 1031233180 /nfs/dbraw/zinc/23/31/80/1031233180.db2.gz BEWIGCHZKAPKOQ-ZDUSSCGKSA-N 1 3 303.837 3.647 20 0 DHADHO C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc([O-])c1F ZINC000872021278 1031402362 /nfs/dbraw/zinc/40/23/62/1031402362.db2.gz AENNMZJOMYHOGD-OAHLLOKOSA-N 1 3 308.441 3.694 20 0 DHADHO COc1ccc([C@@H](NC[C@@H](C)C[NH+]2CCCC2)C(C)C)cc1 ZINC000536949076 1031480821 /nfs/dbraw/zinc/48/08/21/1031480821.db2.gz LNEADWRKLZFDSU-APWZRJJASA-N 1 3 304.478 3.714 20 0 DHADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(OC(F)F)cc1 ZINC000537017057 1031483911 /nfs/dbraw/zinc/48/39/11/1031483911.db2.gz GRUACDOUBNAWLY-HIFRSBDPSA-N 1 3 312.404 3.813 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000536998184 1031487579 /nfs/dbraw/zinc/48/75/79/1031487579.db2.gz IYZVVESSAMLKOT-HNAYVOBHSA-N 1 3 304.453 3.987 20 0 DHADHO CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc([O-])c2F)CC1 ZINC000872091257 1031488227 /nfs/dbraw/zinc/48/82/27/1031488227.db2.gz HOXMXLUCBWHXMC-AWEZNQCLSA-N 1 3 308.441 3.692 20 0 DHADHO Cc1sccc1CNCc1ccc(OCCC[NH+](C)C)cc1 ZINC000293500102 1031491929 /nfs/dbraw/zinc/49/19/29/1031491929.db2.gz HHIFTEHDOYXIHG-UHFFFAOYSA-N 1 3 318.486 3.677 20 0 DHADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000537180638 1031523241 /nfs/dbraw/zinc/52/32/41/1031523241.db2.gz KYIDGJHKMWZYJT-UYAOXDASSA-N 1 3 302.506 3.919 20 0 DHADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000537180638 1031523253 /nfs/dbraw/zinc/52/32/53/1031523253.db2.gz KYIDGJHKMWZYJT-UYAOXDASSA-N 1 3 302.506 3.919 20 0 DHADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000537180637 1031525563 /nfs/dbraw/zinc/52/55/63/1031525563.db2.gz KYIDGJHKMWZYJT-QUCCMNQESA-N 1 3 302.506 3.919 20 0 DHADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000537180637 1031525574 /nfs/dbraw/zinc/52/55/74/1031525574.db2.gz KYIDGJHKMWZYJT-QUCCMNQESA-N 1 3 302.506 3.919 20 0 DHADHO FCc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000930059918 1031686928 /nfs/dbraw/zinc/68/69/28/1031686928.db2.gz FIDAHEQMIYXUIP-PKOBYXMFSA-N 1 3 302.437 3.605 20 0 DHADHO FCc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000930059918 1031686932 /nfs/dbraw/zinc/68/69/32/1031686932.db2.gz FIDAHEQMIYXUIP-PKOBYXMFSA-N 1 3 302.437 3.605 20 0 DHADHO [NH3+][C@H]1C[C@H](CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000873258625 1031776436 /nfs/dbraw/zinc/77/64/36/1031776436.db2.gz SNHSHLZPDFFRAN-QITLCBANSA-N 1 3 318.823 3.895 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCOC34CCCC4)CC2)C1 ZINC000898110802 1031950355 /nfs/dbraw/zinc/95/03/55/1031950355.db2.gz HDTPSTKOPZUHLJ-NEWSRXKRSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCOC34CCCC4)CC2)C1 ZINC000898110802 1031950368 /nfs/dbraw/zinc/95/03/68/1031950368.db2.gz HDTPSTKOPZUHLJ-NEWSRXKRSA-N 1 3 320.521 3.721 20 0 DHADHO Cc1ncccc1CCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000898254662 1032004155 /nfs/dbraw/zinc/00/41/55/1032004155.db2.gz FLRJVLMGXJNTDU-UZLBHIALSA-N 1 3 315.505 3.565 20 0 DHADHO Cc1ncccc1CCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000898254661 1032004747 /nfs/dbraw/zinc/00/47/47/1032004747.db2.gz FLRJVLMGXJNTDU-OXQOHEQNSA-N 1 3 315.505 3.565 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000044535403 1032053629 /nfs/dbraw/zinc/05/36/29/1032053629.db2.gz SHKPJZTVMIERQH-QWHCGFSZSA-N 1 3 300.368 3.698 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccccc1C(F)(F)F ZINC000044535403 1032053646 /nfs/dbraw/zinc/05/36/46/1032053646.db2.gz SHKPJZTVMIERQH-QWHCGFSZSA-N 1 3 300.368 3.698 20 0 DHADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1cccc(OC(F)F)c1 ZINC000539219473 1033300691 /nfs/dbraw/zinc/30/06/91/1033300691.db2.gz NJLZSHMJSXDVDS-UKRRQHHQSA-N 1 3 312.404 3.813 20 0 DHADHO COc1ccccc1[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)C1CCCC1 ZINC000539217942 1033301637 /nfs/dbraw/zinc/30/16/37/1033301637.db2.gz OFYBSUFCTMBILJ-OXFYSEKESA-N 1 3 316.489 3.999 20 0 DHADHO COc1ccccc1[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCC1 ZINC000539217942 1033301652 /nfs/dbraw/zinc/30/16/52/1033301652.db2.gz OFYBSUFCTMBILJ-OXFYSEKESA-N 1 3 316.489 3.999 20 0 DHADHO CC1(C)CC([NH2+]C2CCN(C3CCCC3)CC2)CC(C)(C)O1 ZINC001172652299 1033304965 /nfs/dbraw/zinc/30/49/65/1033304965.db2.gz OTTIHDGQBZTELL-UHFFFAOYSA-N 1 3 308.510 3.719 20 0 DHADHO CCC(CC)N1CCC([NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172653707 1033305234 /nfs/dbraw/zinc/30/52/34/1033305234.db2.gz MZSPGDNWNREWIL-UHFFFAOYSA-N 1 3 310.526 3.965 20 0 DHADHO Cc1ccccc1CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000096245644 1033318969 /nfs/dbraw/zinc/31/89/69/1033318969.db2.gz DNDNDXMPAWGLSX-NHCUHLMSSA-N 1 3 306.453 3.559 20 0 DHADHO C1CCC2(C1)CCC([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CC2 ZINC001172728046 1033332991 /nfs/dbraw/zinc/33/29/91/1033332991.db2.gz VYYVWKRUMUNDCG-UAPYVXQJSA-N 1 3 320.521 3.722 20 0 DHADHO C[C@@H]1[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C[C@@H]1c1ccccc1 ZINC000477929355 1033370078 /nfs/dbraw/zinc/37/00/78/1033370078.db2.gz RERZBQKWMQHSOL-WDSOQIARSA-N 1 3 300.490 3.890 20 0 DHADHO CC[C@H]1C[C@@H](CN2CCC(CC)([NH+]3CCCC3)CC2)CCO1 ZINC000877675058 1033408000 /nfs/dbraw/zinc/40/80/00/1033408000.db2.gz VBMAJCJGEDVGAL-ROUUACIJSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001172852940 1033421796 /nfs/dbraw/zinc/42/17/96/1033421796.db2.gz WHLMHCLKLGRYEX-RDBSUJKOSA-N 1 3 312.860 3.873 20 0 DHADHO C[C@H](CSc1ccc(Cl)cc1)[NH2+]C(C)(C)C(C)(C)N ZINC001172872504 1033442688 /nfs/dbraw/zinc/44/26/88/1033442688.db2.gz BTCZWIDTPAUOOA-LLVKDONJSA-N 1 3 300.899 3.926 20 0 DHADHO CC[C@H]1C[C@H](CN2CCC(C)([NH+]3CCCCC3)CC2)CCO1 ZINC000877795120 1033452973 /nfs/dbraw/zinc/45/29/73/1033452973.db2.gz ZZNUOVCCNYYOPP-MSOLQXFVSA-N 1 3 308.510 3.532 20 0 DHADHO CC[C@@H]1C[C@@H](CN2CCC(C)([NH+]3CCCCC3)CC2)CCO1 ZINC000877795123 1033453849 /nfs/dbraw/zinc/45/38/49/1033453849.db2.gz ZZNUOVCCNYYOPP-ZWKOTPCHSA-N 1 3 308.510 3.532 20 0 DHADHO Cc1cccc([C@@H](N[C@H]2CC23CC[NH2+]CC3)c2cccc(F)c2)c1 ZINC000643536215 1033475601 /nfs/dbraw/zinc/47/56/01/1033475601.db2.gz OIWPUYSBNZPFNO-VQTJNVASSA-N 1 3 324.443 3.955 20 0 DHADHO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000152384274 1033516790 /nfs/dbraw/zinc/51/67/90/1033516790.db2.gz WHOUFECTGYEPEG-ZIAGYGMSSA-N 1 3 324.415 3.731 20 0 DHADHO CCN(C)C1CC[NH+](C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173207160 1033610923 /nfs/dbraw/zinc/61/09/23/1033610923.db2.gz ZPCXOGKHFVMSRO-UHFFFAOYSA-N 1 3 316.489 3.793 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000878411394 1033693521 /nfs/dbraw/zinc/69/35/21/1033693521.db2.gz JFECUHBEMCTPRE-BBWFWOEESA-N 1 3 322.537 3.823 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)[C@@H]1CCCN(C2CCC2)C1 ZINC000878411375 1033695195 /nfs/dbraw/zinc/69/51/95/1033695195.db2.gz IPVSSHGZDDXBPZ-LZLYRXPVSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](NC[C@H]1CCCC(C)(C)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411375 1033695213 /nfs/dbraw/zinc/69/52/13/1033695213.db2.gz IPVSSHGZDDXBPZ-LZLYRXPVSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](NC[C@H]1CCCC(C)(C)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411375 1033695217 /nfs/dbraw/zinc/69/52/17/1033695217.db2.gz IPVSSHGZDDXBPZ-LZLYRXPVSA-N 1 3 308.510 3.577 20 0 DHADHO N[C@H]1CC[N@H+](Cc2ccc(F)c(-c3ccccc3)c2)CC[C@H]1F ZINC001206211934 1033843608 /nfs/dbraw/zinc/84/36/08/1033843608.db2.gz PZVOVURHDWDTFH-MOPGFXCFSA-N 1 3 316.395 3.754 20 0 DHADHO N[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)CC[C@H]1F ZINC001206211934 1033843628 /nfs/dbraw/zinc/84/36/28/1033843628.db2.gz PZVOVURHDWDTFH-MOPGFXCFSA-N 1 3 316.395 3.754 20 0 DHADHO N[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3ccccc3)c2)CC[C@H]1F ZINC001206211937 1033844450 /nfs/dbraw/zinc/84/44/50/1033844450.db2.gz PZVOVURHDWDTFH-RTBURBONSA-N 1 3 316.395 3.754 20 0 DHADHO N[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)CC[C@H]1F ZINC001206211937 1033844463 /nfs/dbraw/zinc/84/44/63/1033844463.db2.gz PZVOVURHDWDTFH-RTBURBONSA-N 1 3 316.395 3.754 20 0 DHADHO COc1cc([C@@H](C)[NH2+]CCCN2CCCCC2)ccc1SC ZINC000480170659 1034110904 /nfs/dbraw/zinc/11/09/04/1034110904.db2.gz IYJOLVIHHQCMBC-OAHLLOKOSA-N 1 3 322.518 3.944 20 0 DHADHO Cc1nc(C)c([C@@H](C)NCc2cccc(C[NH+](C)C)c2)s1 ZINC000177733311 1034180163 /nfs/dbraw/zinc/18/01/63/1034180163.db2.gz IXSHGJMDFUBCLC-GFCCVEGCSA-N 1 3 303.475 3.672 20 0 DHADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000178172585 1034216032 /nfs/dbraw/zinc/21/60/32/1034216032.db2.gz XIWBKQVWSBDFRD-CQSZACIVSA-N 1 3 304.459 3.539 20 0 DHADHO CCC1([NH+]2CCCCC2)CCN(C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000880255672 1034267071 /nfs/dbraw/zinc/26/70/71/1034267071.db2.gz UKWGABGSWDTGEE-QZTJIDSGSA-N 1 3 308.510 3.532 20 0 DHADHO c1cn2cc(Nc3cc[nH+]cc3Oc3ccccc3)ccc2n1 ZINC001174275992 1034268414 /nfs/dbraw/zinc/26/84/14/1034268414.db2.gz NGTPLPYTHRBOFB-UHFFFAOYSA-N 1 3 302.337 3.687 20 0 DHADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(CO)c1 ZINC000183212202 1034364076 /nfs/dbraw/zinc/36/40/76/1034364076.db2.gz PWZNCMYHAPVIHC-KRWDZBQOSA-N 1 3 324.468 3.626 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](CCc2ccccc2)C(C)C)C1 ZINC000481016741 1034550561 /nfs/dbraw/zinc/55/05/61/1034550561.db2.gz BITXTXRVNABKRP-VQTJNVASSA-N 1 3 302.506 3.965 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)C1 ZINC000481026884 1034559821 /nfs/dbraw/zinc/55/98/21/1034559821.db2.gz USUDYNHQRXQPLR-VQTJNVASSA-N 1 3 302.506 3.884 20 0 DHADHO Cc1cccc(CCCN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000481108710 1034598601 /nfs/dbraw/zinc/59/86/01/1034598601.db2.gz NSYDRIZMOJSASH-FQEVSTJZSA-N 1 3 300.490 3.878 20 0 DHADHO Cc1cccc(CCCN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000481120578 1034604338 /nfs/dbraw/zinc/60/43/38/1034604338.db2.gz SIZAZEMSZHGZHA-FQEVSTJZSA-N 1 3 300.490 3.591 20 0 DHADHO Cc1cccc(CCCN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000481120578 1034604345 /nfs/dbraw/zinc/60/43/45/1034604345.db2.gz SIZAZEMSZHGZHA-FQEVSTJZSA-N 1 3 300.490 3.591 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)C1 ZINC000187791700 1034733099 /nfs/dbraw/zinc/73/30/99/1034733099.db2.gz UHUVJRFHCLJDPQ-WMLDXEAASA-N 1 3 320.502 3.554 20 0 DHADHO Clc1ccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157350875 1034863246 /nfs/dbraw/zinc/86/32/46/1034863246.db2.gz CBAYTMIUNPYFSM-ZLGJRNTRSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157350875 1034863253 /nfs/dbraw/zinc/86/32/53/1034863253.db2.gz CBAYTMIUNPYFSM-ZLGJRNTRSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccccc1C1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000157393295 1034877164 /nfs/dbraw/zinc/87/71/64/1034877164.db2.gz LXQBBCMQFDVRLK-BHDPWAOGSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccccc1C1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157393295 1034877173 /nfs/dbraw/zinc/87/71/73/1034877173.db2.gz LXQBBCMQFDVRLK-BHDPWAOGSA-N 1 3 304.865 3.802 20 0 DHADHO COc1cccc2c1CC[C@H]2N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000483208650 1035241092 /nfs/dbraw/zinc/24/10/92/1035241092.db2.gz ZBAUBTDVAHICRJ-SJLPKXTDSA-N 1 3 304.478 3.639 20 0 DHADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)C2CC2)cc1 ZINC000484478494 1035344516 /nfs/dbraw/zinc/34/45/16/1035344516.db2.gz CKMTZVICDTXMFI-UFYCRDLUSA-N 1 3 300.490 3.779 20 0 DHADHO CC(C)CN1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC001177199795 1035354031 /nfs/dbraw/zinc/35/40/31/1035354031.db2.gz NPQMJZMHQCFKDY-UHFFFAOYSA-N 1 3 300.490 3.775 20 0 DHADHO CC(C)(C)CC[C@@H](N)C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000904329545 1035400788 /nfs/dbraw/zinc/40/07/88/1035400788.db2.gz PHZGZIXWCXGFJQ-QGZVFWFLSA-N 1 3 322.468 3.575 20 0 DHADHO c1cnc2c(c1)cccc2C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001177949061 1035403078 /nfs/dbraw/zinc/40/30/78/1035403078.db2.gz OPTINYOVYHWZNM-UHFFFAOYSA-N 1 3 309.457 3.731 20 0 DHADHO c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000195135153 1035415211 /nfs/dbraw/zinc/41/52/11/1035415211.db2.gz HUJDSJOGAXURGY-IEBWSBKVSA-N 1 3 310.441 3.769 20 0 DHADHO Cc1ccc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1C ZINC001179015666 1035461413 /nfs/dbraw/zinc/46/14/13/1035461413.db2.gz INFJBYNYPKZNTF-RTWAWAEBSA-N 1 3 308.469 3.738 20 0 DHADHO Cc1ccc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1C ZINC001179015666 1035461415 /nfs/dbraw/zinc/46/14/15/1035461415.db2.gz INFJBYNYPKZNTF-RTWAWAEBSA-N 1 3 308.469 3.738 20 0 DHADHO Cc1cc(C[NH2+]CC[C@@H](C)N(C)C)ccc1Oc1cccnc1 ZINC001179266061 1035471725 /nfs/dbraw/zinc/47/17/25/1035471725.db2.gz IAHOQSLVSKJLEL-MRXNPFEDSA-N 1 3 313.445 3.612 20 0 DHADHO CC[C@@H]1CCC[C@@H](CN[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC001179636386 1035488947 /nfs/dbraw/zinc/48/89/47/1035488947.db2.gz DTWPQFDLMWOLDJ-LMMKCTJWSA-N 1 3 303.494 3.880 20 0 DHADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)C1=CCOCC1 ZINC001179800231 1035504542 /nfs/dbraw/zinc/50/45/42/1035504542.db2.gz OOIQHJUFYDFCCC-UHFFFAOYSA-N 1 3 320.521 3.746 20 0 DHADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001179830333 1035509638 /nfs/dbraw/zinc/50/96/38/1035509638.db2.gz OWMCWPXKEWUCJU-SJLPKXTDSA-N 1 3 318.505 3.653 20 0 DHADHO C[C@H](Cc1cccc(F)c1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001168465830 1035561281 /nfs/dbraw/zinc/56/12/81/1035561281.db2.gz XYHBYSIJCWAXFT-OAHLLOKOSA-N 1 3 304.453 3.753 20 0 DHADHO Cc1ncsc1CCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC001193252690 1035597750 /nfs/dbraw/zinc/59/77/50/1035597750.db2.gz ZSBZWDLZSRSEOA-GDBMZVCRSA-N 1 3 321.534 3.627 20 0 DHADHO CCCN1CCC([N@H+](C)Cc2cc(C)nc3c2CCCC3)CC1 ZINC001180161751 1035614092 /nfs/dbraw/zinc/61/40/92/1035614092.db2.gz ORWIOLVCXGSCPS-UHFFFAOYSA-N 1 3 315.505 3.575 20 0 DHADHO CCCN1CCC([N@@H+](C)Cc2cc(C)nc3c2CCCC3)CC1 ZINC001180161751 1035614099 /nfs/dbraw/zinc/61/40/99/1035614099.db2.gz ORWIOLVCXGSCPS-UHFFFAOYSA-N 1 3 315.505 3.575 20 0 DHADHO CCCCN1CCC([NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191233676 1035670895 /nfs/dbraw/zinc/67/08/95/1035670895.db2.gz LLIOAFCARWOZOF-HNNXBMFYSA-N 1 3 320.525 3.862 20 0 DHADHO C[C@H]1CCN(Cc2csc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205637844 1035674397 /nfs/dbraw/zinc/67/43/97/1035674397.db2.gz JLPAKPHSALYNEA-CMPLNLGQSA-N 1 3 306.397 3.574 20 0 DHADHO C[C@H](CC[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2)N1CCCCC1 ZINC001180811555 1035766594 /nfs/dbraw/zinc/76/65/94/1035766594.db2.gz SEGRRZXUKHSCFO-SQNIBIBYSA-N 1 3 322.537 3.967 20 0 DHADHO CC(C)C[C@H]1CCCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192745334 1035815148 /nfs/dbraw/zinc/81/51/48/1035815148.db2.gz TXAIAOOKDPYVKA-HXUWFJFHSA-N 1 3 323.569 3.693 20 0 DHADHO CC(C)C[C@H]1CCCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192745334 1035815165 /nfs/dbraw/zinc/81/51/65/1035815165.db2.gz TXAIAOOKDPYVKA-HXUWFJFHSA-N 1 3 323.569 3.693 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000539898632 1035926639 /nfs/dbraw/zinc/92/66/39/1035926639.db2.gz YWJLCANYSMKUCT-WBVHZDCISA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000539898632 1035926651 /nfs/dbraw/zinc/92/66/51/1035926651.db2.gz YWJLCANYSMKUCT-WBVHZDCISA-N 1 3 300.471 3.817 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc2ncsc2c1 ZINC000485814039 1035980455 /nfs/dbraw/zinc/98/04/55/1035980455.db2.gz PHTZPVIHWJDUGZ-ZFWWWQNUSA-N 1 3 303.475 3.821 20 0 DHADHO CCC(CC)[C@@H](CC[NH2+]C1CCN(C2CCCC2)CC1)OC ZINC000540147118 1035983811 /nfs/dbraw/zinc/98/38/11/1035983811.db2.gz OJOBPZOHFPSKCY-LJQANCHMSA-N 1 3 310.526 3.824 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCOc1ccccc1C(C)(C)C ZINC000540177626 1036000011 /nfs/dbraw/zinc/00/00/11/1036000011.db2.gz PXNXMEGBWBFZTF-NUJGCVRESA-N 1 3 318.505 3.681 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCOc1ccccc1C(C)(C)C ZINC000540177626 1036000025 /nfs/dbraw/zinc/00/00/25/1036000025.db2.gz PXNXMEGBWBFZTF-NUJGCVRESA-N 1 3 318.505 3.681 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000540259585 1036023898 /nfs/dbraw/zinc/02/38/98/1036023898.db2.gz SAOCTDIUVXAUIX-BEFAXECRSA-N 1 3 304.453 3.988 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@H]2CSc3ccccc32)CC1 ZINC001181971502 1036074324 /nfs/dbraw/zinc/07/43/24/1036074324.db2.gz LDZJXBDZIMNLSD-INIZCTEOSA-N 1 3 318.530 3.976 20 0 DHADHO CC(C)[C@@H](C)C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540491574 1036082937 /nfs/dbraw/zinc/08/29/37/1036082937.db2.gz DVLKUTFIPHYWAE-WMZOPIPTSA-N 1 3 316.489 3.856 20 0 DHADHO CC(C)[C@@H](C)C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540491572 1036084315 /nfs/dbraw/zinc/08/43/15/1036084315.db2.gz DVLKUTFIPHYWAE-FUHWJXTLSA-N 1 3 316.489 3.856 20 0 DHADHO Cc1ccc(C(F)(F)F)cc1CN1CCC(CC[NH3+])CC1 ZINC001206499742 1036231482 /nfs/dbraw/zinc/23/14/82/1036231482.db2.gz BMOWVKAZGDGWIB-UHFFFAOYSA-N 1 3 300.368 3.575 20 0 DHADHO C[C@H](CCc1ccccc1)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001195537000 1036281602 /nfs/dbraw/zinc/28/16/02/1036281602.db2.gz UHGACPAOSZODBG-GOSISDBHSA-N 1 3 309.457 3.615 20 0 DHADHO C[C@H](CCc1ccccc1)[N@H+]1CCCN(c2ccncc2)CC1 ZINC001195537000 1036281605 /nfs/dbraw/zinc/28/16/05/1036281605.db2.gz UHGACPAOSZODBG-GOSISDBHSA-N 1 3 309.457 3.615 20 0 DHADHO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000541588173 1036379082 /nfs/dbraw/zinc/37/90/82/1036379082.db2.gz UTGKZFYUCSKXOO-QUCCMNQESA-N 1 3 300.490 3.673 20 0 DHADHO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000541588173 1036379098 /nfs/dbraw/zinc/37/90/98/1036379098.db2.gz UTGKZFYUCSKXOO-QUCCMNQESA-N 1 3 300.490 3.673 20 0 DHADHO CC(C)C[N@H+](C)CCCN[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001182712493 1036432204 /nfs/dbraw/zinc/43/22/04/1036432204.db2.gz ANSGWRQJUWCCPG-OALUTQOASA-N 1 3 318.505 3.800 20 0 DHADHO CC(C)C[N@@H+](C)CCCN[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001182712493 1036432210 /nfs/dbraw/zinc/43/22/10/1036432210.db2.gz ANSGWRQJUWCCPG-OALUTQOASA-N 1 3 318.505 3.800 20 0 DHADHO C[C@@H](C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)CN(C)C ZINC000491596328 1036610168 /nfs/dbraw/zinc/61/01/68/1036610168.db2.gz JJWBMXZBQNMRJZ-JTQLQIEISA-N 1 3 308.775 3.646 20 0 DHADHO C/C(=C/c1ccccc1C(F)(F)F)CNC[C@H](C)C[NH+](C)C ZINC000491598262 1036612365 /nfs/dbraw/zinc/61/23/65/1036612365.db2.gz DVPAGCKSBDSPQQ-XXYUJHKVSA-N 1 3 314.395 3.896 20 0 DHADHO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@H](C)CN(C)C ZINC000491598262 1036612368 /nfs/dbraw/zinc/61/23/68/1036612368.db2.gz DVPAGCKSBDSPQQ-XXYUJHKVSA-N 1 3 314.395 3.896 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000487273881 1036632150 /nfs/dbraw/zinc/63/21/50/1036632150.db2.gz NTKKRMSGQUIRLN-UHOSZYNNSA-N 1 3 300.490 3.575 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000492425398 1036871056 /nfs/dbraw/zinc/87/10/56/1036871056.db2.gz ROWHVHBQBDGMFE-YCPHGPKFSA-N 1 3 314.395 3.685 20 0 DHADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000629553929 1036945952 /nfs/dbraw/zinc/94/59/52/1036945952.db2.gz DTBINKJOQRQWSJ-LSDHHAIUSA-N 1 3 300.368 3.541 20 0 DHADHO Cc1ccccc1C1CC([NH2+]CCCN2CCC(C)CC2)C1 ZINC000236844747 1036984440 /nfs/dbraw/zinc/98/44/40/1036984440.db2.gz AVDDOLRWOSAANJ-UHFFFAOYSA-N 1 3 300.490 3.953 20 0 DHADHO C/C(=C\c1ccccc1)CNCc1ccccc1OCC[NH+](C)C ZINC000237188694 1036998461 /nfs/dbraw/zinc/99/84/61/1036998461.db2.gz IHPCXHPLLVWLAA-OBGWFSINSA-N 1 3 324.468 3.820 20 0 DHADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CS1 ZINC000488587183 1037085513 /nfs/dbraw/zinc/08/55/13/1037085513.db2.gz YAORRBPWPRNPEG-DFGXFYAUSA-N 1 3 310.551 3.759 20 0 DHADHO c1ccc(C[N@H+]2CC[C@@H](CN[C@@H]3CCc4ccccc43)C2)cc1 ZINC000309696546 1037172571 /nfs/dbraw/zinc/17/25/71/1037172571.db2.gz FEHMCYWYSOPNOL-GHTZIAJQSA-N 1 3 306.453 3.786 20 0 DHADHO c1ccc(C[N@@H+]2CC[C@@H](CN[C@@H]3CCc4ccccc43)C2)cc1 ZINC000309696546 1037172577 /nfs/dbraw/zinc/17/25/77/1037172577.db2.gz FEHMCYWYSOPNOL-GHTZIAJQSA-N 1 3 306.453 3.786 20 0 DHADHO CCCC[NH+]1CCC(N(C)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168502036 1037273373 /nfs/dbraw/zinc/27/33/73/1037273373.db2.gz RNFPBJKZODKJEO-INIZCTEOSA-N 1 3 306.469 3.953 20 0 DHADHO C[C@@H](C[NH2+][C@@H]1CCCc2ccccc2C1)CN1CCCCC1 ZINC001199580944 1037286532 /nfs/dbraw/zinc/28/65/32/1037286532.db2.gz DNEYNKAPCZAXDF-FXAWDEMLSA-N 1 3 300.490 3.646 20 0 DHADHO C[C@H](Cc1cccc(F)c1)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001168455656 1037346753 /nfs/dbraw/zinc/34/67/53/1037346753.db2.gz HOTBYEUWZBGQEB-BRWVUGGUSA-N 1 3 306.469 3.714 20 0 DHADHO CC(C)[NH+](CCCNC[C@H]1CCOc2ccccc21)C(C)C ZINC001200921977 1037463421 /nfs/dbraw/zinc/46/34/21/1037463421.db2.gz KIYGXFMGLXTQML-QGZVFWFLSA-N 1 3 304.478 3.651 20 0 DHADHO CCC[NH+]1CCC(N[C@H](CC)c2ccc3c(c2)CCCO3)CC1 ZINC000152652950 1037492209 /nfs/dbraw/zinc/49/22/09/1037492209.db2.gz CTGZBPULFZCKGW-LJQANCHMSA-N 1 3 316.489 3.927 20 0 DHADHO C[C@@H](C[NH2+]C1CC(c2cccc(Cl)c2)C1)CN1CCCC1 ZINC000062078489 1037844623 /nfs/dbraw/zinc/84/46/23/1037844623.db2.gz YREBWSKEYCPJJR-NXVRBGIVSA-N 1 3 306.881 3.908 20 0 DHADHO CS[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001201857828 1037907716 /nfs/dbraw/zinc/90/77/16/1037907716.db2.gz SZBIRXZMZLBFQA-ROUUACIJSA-N 1 3 310.551 3.905 20 0 DHADHO CC1(C)CCC(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629563399 1037945055 /nfs/dbraw/zinc/94/50/55/1037945055.db2.gz PLXFDZMGSMVBIG-UONOGXRCSA-N 1 3 306.416 3.662 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000125891418 1037977548 /nfs/dbraw/zinc/97/75/48/1037977548.db2.gz BHUZQYNPIBEPOY-SQNIBIBYSA-N 1 3 318.505 3.897 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]CCSC)cc1CN1CCCCC1 ZINC000775364989 1038274822 /nfs/dbraw/zinc/27/48/22/1038274822.db2.gz NSHUMDKQOSJZOA-OAHLLOKOSA-N 1 3 322.518 3.695 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2(C)CC2)ccc1OC ZINC000775412747 1038383436 /nfs/dbraw/zinc/38/34/36/1038383436.db2.gz PIFMDKBKYKMRGP-OAHLLOKOSA-N 1 3 304.478 3.988 20 0 DHADHO CCOc1ccc(Cl)cc1CN1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205616884 1038721104 /nfs/dbraw/zinc/72/11/04/1038721104.db2.gz HLBGVACZPXERJF-KGLIPLIRSA-N 1 3 310.869 3.546 20 0 DHADHO C[C@H]1CCN(Cc2cc(F)ccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205616897 1038721232 /nfs/dbraw/zinc/72/12/32/1038721232.db2.gz HLRQCCAUOLTYCC-NWDGAFQWSA-N 1 3 318.358 3.651 20 0 DHADHO CCOc1ccc(Cl)cc1CN1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205616889 1038721432 /nfs/dbraw/zinc/72/14/32/1038721432.db2.gz HLBGVACZPXERJF-ZIAGYGMSSA-N 1 3 310.869 3.546 20 0 DHADHO CC(C)(C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)CN1CCCC1 ZINC000477927521 1038823823 /nfs/dbraw/zinc/82/38/23/1038823823.db2.gz OIXSIUDQGCLHCJ-KBPBESRZSA-N 1 3 306.416 3.819 20 0 DHADHO CC1CCC(O)(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000607721350 1040259015 /nfs/dbraw/zinc/25/90/15/1040259015.db2.gz UTADCQWGYWRENA-GPJFCIFZSA-N 1 3 322.537 3.516 20 0 DHADHO C[NH+](C)CCOc1cccc(CN[C@H](c2ccccc2)C2CC2)c1 ZINC000091287608 193032231 /nfs/dbraw/zinc/03/22/31/193032231.db2.gz SCIUJIUDOHENQO-OAQYLSRUSA-N 1 3 324.468 3.868 20 0 DHADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626152 184179244 /nfs/dbraw/zinc/17/92/44/184179244.db2.gz YHERZZPBAXHARD-TYNCELHUSA-N 1 3 300.368 3.524 20 0 DHADHO CCCCN1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000283692705 131013744 /nfs/dbraw/zinc/01/37/44/131013744.db2.gz AMALNSWYJKMIFS-GOSISDBHSA-N 1 3 302.462 3.624 20 0 DHADHO CC(C)SCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000287115316 131264266 /nfs/dbraw/zinc/26/42/66/131264266.db2.gz QUTHRESYRDRVPO-LDLYASANSA-N 1 3 318.530 3.913 20 0 DHADHO CC(C)SCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000287115316 131264268 /nfs/dbraw/zinc/26/42/68/131264268.db2.gz QUTHRESYRDRVPO-LDLYASANSA-N 1 3 318.530 3.913 20 0 DHADHO C[C@@H]([NH2+]CCCC(C)(F)F)c1ccc(OCCN(C)C)cc1 ZINC000297275634 132006894 /nfs/dbraw/zinc/00/68/94/132006894.db2.gz KZCXVWJXUGYWNL-CQSZACIVSA-N 1 3 314.420 3.713 20 0 DHADHO FC(F)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297357033 132012120 /nfs/dbraw/zinc/01/21/20/132012120.db2.gz FOPSAKOFWZPEAO-UHFFFAOYSA-N 1 3 317.383 3.778 20 0 DHADHO C[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000298334369 132056806 /nfs/dbraw/zinc/05/68/06/132056806.db2.gz IXVXYLFNKMYIBK-HNNXBMFYSA-N 1 3 313.420 3.583 20 0 DHADHO Cc1c2ccccc2oc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298528134 132066888 /nfs/dbraw/zinc/06/68/88/132066888.db2.gz RYTVOZYVOIIFKV-UHFFFAOYSA-N 1 3 321.424 3.895 20 0 DHADHO C[NH+](C)CC1CCC(NCc2ncc(C(C)(C)C)s2)CC1 ZINC000447895663 331662882 /nfs/dbraw/zinc/66/28/82/331662882.db2.gz ZLUXWWFASDYQMZ-UHFFFAOYSA-N 1 3 309.523 3.651 20 0 DHADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)c1 ZINC000558222563 331884603 /nfs/dbraw/zinc/88/46/03/331884603.db2.gz RAGLDUVPBCHWDV-ZWKOTPCHSA-N 1 3 304.478 3.541 20 0 DHADHO COC1(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC1 ZINC000449229722 331962695 /nfs/dbraw/zinc/96/26/95/331962695.db2.gz DJMKYBUVMIHBEO-UHFFFAOYSA-N 1 3 310.526 3.824 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000127611929 332007466 /nfs/dbraw/zinc/00/74/66/332007466.db2.gz SAGPGXUUZQOAGN-HRCADAONSA-N 1 3 306.519 3.926 20 0 DHADHO CC[NH2+]CC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000129887571 332021363 /nfs/dbraw/zinc/02/13/63/332021363.db2.gz ALRZTIIDWKFQEL-UHFFFAOYSA-N 1 3 300.368 3.527 20 0 DHADHO CC(C)COc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000559312600 332023750 /nfs/dbraw/zinc/02/37/50/332023750.db2.gz XNDULHBDCGLIFZ-HXUWFJFHSA-N 1 3 316.489 3.639 20 0 DHADHO CC(C)COc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000559312600 332023751 /nfs/dbraw/zinc/02/37/51/332023751.db2.gz XNDULHBDCGLIFZ-HXUWFJFHSA-N 1 3 316.489 3.639 20 0 DHADHO COC1(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCCC1 ZINC000449348750 332060441 /nfs/dbraw/zinc/06/04/41/332060441.db2.gz VHBGNJSVOOSJAC-SJLPKXTDSA-N 1 3 308.510 3.578 20 0 DHADHO COC1(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CCCC1 ZINC000449348750 332060443 /nfs/dbraw/zinc/06/04/43/332060443.db2.gz VHBGNJSVOOSJAC-SJLPKXTDSA-N 1 3 308.510 3.578 20 0 DHADHO CC[NH+]1CCC(CCN[C@H](COC)c2cccc(Cl)c2)CC1 ZINC000569467102 332096583 /nfs/dbraw/zinc/09/65/83/332096583.db2.gz VPLDJQYCKIPRJS-GOSISDBHSA-N 1 3 324.896 3.739 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2cc3ccccc3s2)[C@H]2CCC[C@H]21 ZINC000559878510 332288773 /nfs/dbraw/zinc/28/87/73/332288773.db2.gz SUODTMPWGWONAK-IXDOHACOSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cc3ccccc3s2)[C@H]2CCC[C@H]21 ZINC000559878510 332288774 /nfs/dbraw/zinc/28/87/74/332288774.db2.gz SUODTMPWGWONAK-IXDOHACOSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cc3ccccc3s2)[C@H]2CCC[C@H]21 ZINC000559878510 332288775 /nfs/dbraw/zinc/28/87/75/332288775.db2.gz SUODTMPWGWONAK-IXDOHACOSA-N 1 3 300.471 3.864 20 0 DHADHO CCC[NH+]1CCC(N[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000560252456 332323956 /nfs/dbraw/zinc/32/39/56/332323956.db2.gz WQDYRKTWSWFXFS-MOPGFXCFSA-N 1 3 316.489 3.697 20 0 DHADHO CSc1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000564973191 332328433 /nfs/dbraw/zinc/32/84/33/332328433.db2.gz VJCLMBKIYFWXTI-KDOFPFPSSA-N 1 3 304.503 3.717 20 0 DHADHO CSc1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000564973191 332328435 /nfs/dbraw/zinc/32/84/35/332328435.db2.gz VJCLMBKIYFWXTI-KDOFPFPSSA-N 1 3 304.503 3.717 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@@H]2CCC[C@H]21 ZINC000560518732 332349788 /nfs/dbraw/zinc/34/97/88/332349788.db2.gz XDNATCVLCKQYAX-GBESFXJTSA-N 1 3 310.441 3.909 20 0 DHADHO CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000387555171 332359463 /nfs/dbraw/zinc/35/94/63/332359463.db2.gz RJMGXXHVUIXGNC-SJORKVTESA-N 1 3 304.478 3.858 20 0 DHADHO NC[C@@H]([NH2+]Cc1cnc(C2CCCCC2)s1)C1CCCC1 ZINC000560966695 332397747 /nfs/dbraw/zinc/39/77/47/332397747.db2.gz KJIKYGFSICBGGZ-MRXNPFEDSA-N 1 3 307.507 3.798 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2csc3ccccc23)C1 ZINC000580259496 333043383 /nfs/dbraw/zinc/04/33/83/333043383.db2.gz KIWZFPZWDDUDFF-RHSMWYFYSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2csc3ccccc23)C1 ZINC000580259496 333043384 /nfs/dbraw/zinc/04/33/84/333043384.db2.gz KIWZFPZWDDUDFF-RHSMWYFYSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2csc3ccccc23)C1 ZINC000580259496 333043385 /nfs/dbraw/zinc/04/33/85/333043385.db2.gz KIWZFPZWDDUDFF-RHSMWYFYSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2csc3ccccc23)C1 ZINC000580259496 333043386 /nfs/dbraw/zinc/04/33/86/333043386.db2.gz KIWZFPZWDDUDFF-RHSMWYFYSA-N 1 3 300.471 3.817 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000314135706 333088858 /nfs/dbraw/zinc/08/88/58/333088858.db2.gz SAJUOXYDFDJLPA-ZDUSSCGKSA-N 1 3 316.367 3.722 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000068634081 333130421 /nfs/dbraw/zinc/13/04/21/333130421.db2.gz KOBFOVVJGISCSN-NFOMZHRRSA-N 1 3 306.416 3.962 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCCOCc1ccccc1 ZINC000390601738 333305936 /nfs/dbraw/zinc/30/59/36/333305936.db2.gz XQAKOYWMHUSMQX-QUCCMNQESA-N 1 3 318.505 3.884 20 0 DHADHO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000414370540 333946630 /nfs/dbraw/zinc/94/66/30/333946630.db2.gz WVCXDAZVEZYBDN-HKUYNNGSSA-N 1 3 308.510 3.577 20 0 DHADHO COc1ccccc1-c1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000414656793 334057937 /nfs/dbraw/zinc/05/79/37/334057937.db2.gz GDKLVPUEGUNLOP-NVXWUHKLSA-N 1 3 310.441 3.531 20 0 DHADHO COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](CN)C[C@H]2C)cc1 ZINC000414656793 334057938 /nfs/dbraw/zinc/05/79/38/334057938.db2.gz GDKLVPUEGUNLOP-NVXWUHKLSA-N 1 3 310.441 3.531 20 0 DHADHO COc1ccccc1-c1ccc(C[N@H+]2C[C@@H](CN)C[C@H]2C)cc1 ZINC000414656793 334057939 /nfs/dbraw/zinc/05/79/39/334057939.db2.gz GDKLVPUEGUNLOP-NVXWUHKLSA-N 1 3 310.441 3.531 20 0 DHADHO CCN(Cc1ccc2cc(OC)ccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000414717299 334073249 /nfs/dbraw/zinc/07/32/49/334073249.db2.gz POSQXHYPCSNYKY-LJQANCHMSA-N 1 3 312.457 3.812 20 0 DHADHO C[C@H]1C[C@H](CN(CCC(F)(F)F)Cc2ccccc2)CC[NH2+]1 ZINC000414741709 334078631 /nfs/dbraw/zinc/07/86/31/334078631.db2.gz FOMOXNNXJFIFMO-GOEBONIOSA-N 1 3 314.395 3.829 20 0 DHADHO Clc1ccc(CCCC[NH2+]C2CCNCC2)cc1Cl ZINC000414785269 334095060 /nfs/dbraw/zinc/09/50/60/334095060.db2.gz UVQXUHSHQMNZMD-UHFFFAOYSA-N 1 3 301.261 3.658 20 0 DHADHO CC(C)[C@H]([NH3+])CN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801343 334101943 /nfs/dbraw/zinc/10/19/43/334101943.db2.gz TZMPJLPKXFHZRG-OAGGEKHMSA-N 1 3 314.395 3.914 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccc(C(F)(F)F)cc1 ZINC000414806365 334103480 /nfs/dbraw/zinc/10/34/80/334103480.db2.gz QARZKXRNWRSAOO-XNRPHZJLSA-N 1 3 314.395 3.916 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000414806746 334104552 /nfs/dbraw/zinc/10/45/52/334104552.db2.gz ICPPKDAGTQXMIN-GFCCVEGCSA-N 1 3 319.246 3.759 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414812550 334106355 /nfs/dbraw/zinc/10/63/55/334106355.db2.gz XKBDKAVQFKAWKZ-XNRPHZJLSA-N 1 3 314.395 3.744 20 0 DHADHO C[C@H]([NH3+])c1ccc(CNCc2cccc(OC(F)(F)F)c2)cc1 ZINC000414815861 334106729 /nfs/dbraw/zinc/10/67/29/334106729.db2.gz YOMZRMUZYOGMDG-LBPRGKRZSA-N 1 3 324.346 3.895 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414817197 334106994 /nfs/dbraw/zinc/10/69/94/334106994.db2.gz AEUJEAWLLQVTKZ-VNHYZAJKSA-N 1 3 314.395 3.614 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414817197 334106996 /nfs/dbraw/zinc/10/69/96/334106996.db2.gz AEUJEAWLLQVTKZ-VNHYZAJKSA-N 1 3 314.395 3.614 20 0 DHADHO C[C@@H](Cc1c(Cl)cccc1Cl)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821314 334108525 /nfs/dbraw/zinc/10/85/25/334108525.db2.gz BBUCAPYGIBOMEL-ACJTYDJDSA-N 1 3 313.272 3.797 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414827798 334109664 /nfs/dbraw/zinc/10/96/64/334109664.db2.gz YKHPUMIBZVKTFZ-UPJWGTAASA-N 1 3 315.288 3.902 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414827798 334109666 /nfs/dbraw/zinc/10/96/66/334109666.db2.gz YKHPUMIBZVKTFZ-UPJWGTAASA-N 1 3 315.288 3.902 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414854979 334128049 /nfs/dbraw/zinc/12/80/49/334128049.db2.gz MMBPGYITWCADGQ-UMVBOHGHSA-N 1 3 314.395 3.614 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414901545 334165505 /nfs/dbraw/zinc/16/55/05/334165505.db2.gz GDJNWIJWEHZANN-CZUORRHYSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414901545 334165507 /nfs/dbraw/zinc/16/55/07/334165507.db2.gz GDJNWIJWEHZANN-CZUORRHYSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H]1CCC[NH2+]CC1 ZINC000414916532 334177514 /nfs/dbraw/zinc/17/75/14/334177514.db2.gz OTAHFWQFJMTGNT-NEPJUHHUSA-N 1 3 301.261 3.656 20 0 DHADHO C[C@H]1C[C@@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)CCN1 ZINC000414927883 334190219 /nfs/dbraw/zinc/19/02/19/334190219.db2.gz AIPGOBUGOVYSSO-BBRMVZONSA-N 1 3 314.395 3.758 20 0 DHADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414931720 334195180 /nfs/dbraw/zinc/19/51/80/334195180.db2.gz BZSRPJHPWBXVHV-WOSRLPQWSA-N 1 3 314.395 3.614 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000414933316 334196443 /nfs/dbraw/zinc/19/64/43/334196443.db2.gz DPOYVTBEVXPOSA-TTYHFUOFSA-N 1 3 316.489 3.698 20 0 DHADHO C[C@H](CN[C@@H]1CCC[NH2+][C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000414955602 334208105 /nfs/dbraw/zinc/20/81/05/334208105.db2.gz OSFFEASNJUPSSG-LALPHHSUSA-N 1 3 300.368 3.539 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCNC1)C(c1ccccc1)c1ccccc1 ZINC000415082303 334273277 /nfs/dbraw/zinc/27/32/77/334273277.db2.gz DDKPCHDXBQDBEA-ROUUACIJSA-N 1 3 308.469 3.796 20 0 DHADHO c1ccc2cc(OCCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000415082445 334273287 /nfs/dbraw/zinc/27/32/87/334273287.db2.gz LSOFFGAKWSQOMV-NJDAHSKKSA-N 1 3 324.468 3.729 20 0 DHADHO Fc1ccc(-c2nc(CNCCC[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000414976819 334222760 /nfs/dbraw/zinc/22/27/60/334222760.db2.gz QKEJFFIOJXDUKE-HNNXBMFYSA-N 1 3 319.449 3.571 20 0 DHADHO CC(C)[C@@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000415085510 334274095 /nfs/dbraw/zinc/27/40/95/334274095.db2.gz QHXOEKRURJBQRS-NZSAHSFTSA-N 1 3 303.494 3.722 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](CNCc2csc(-c3ccc(F)cc3)n2)C1 ZINC000414992458 334231174 /nfs/dbraw/zinc/23/11/74/334231174.db2.gz KMRDOVCBWSAJIB-IUODEOHRSA-N 1 3 319.449 3.556 20 0 DHADHO CC(C)[C@@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000415085504 334274220 /nfs/dbraw/zinc/27/42/20/334274220.db2.gz QHXOEKRURJBQRS-BHIYHBOVSA-N 1 3 303.494 3.722 20 0 DHADHO CC[C@H](N)C[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414994283 334233272 /nfs/dbraw/zinc/23/32/72/334233272.db2.gz UTMGYSINSZRITI-AIADIJKESA-N 1 3 310.441 3.606 20 0 DHADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1csc(Cl)c1Cl ZINC000415000563 334239425 /nfs/dbraw/zinc/23/94/25/334239425.db2.gz TUIFWLWPSUKKFV-PDUMLCJASA-N 1 3 305.274 3.660 20 0 DHADHO [NH3+][C@H]1CCC[C@H](CNCc2ccc(F)c(Cl)c2Cl)C1 ZINC000415000392 334239652 /nfs/dbraw/zinc/23/96/52/334239652.db2.gz KFFHWWBRYDAMGM-ONGXEEELSA-N 1 3 305.224 3.740 20 0 DHADHO Cc1ccc(-c2nc(CNC[C@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000415003432 334241656 /nfs/dbraw/zinc/24/16/56/334241656.db2.gz XDUIFNMXJMIDBO-GOEBONIOSA-N 1 3 315.486 3.726 20 0 DHADHO COc1c(Cl)cc(Cl)cc1CN[C@H](C)CCCC[NH3+] ZINC000415011303 334257961 /nfs/dbraw/zinc/25/79/61/334257961.db2.gz HIPUSKARXALJST-SNVBAGLBSA-N 1 3 305.249 3.609 20 0 DHADHO C[C@@H](CCC[NH3+])NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000415018531 334259057 /nfs/dbraw/zinc/25/90/57/334259057.db2.gz HBUXTOQNQTYEGB-LBPRGKRZSA-N 1 3 315.442 3.773 20 0 DHADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000415019710 334259258 /nfs/dbraw/zinc/25/92/58/334259258.db2.gz SICQWFKVCKODHT-VXGBXAGGSA-N 1 3 306.356 3.582 20 0 DHADHO [NH3+]CCC[C@@H](NCc1cccc2cccnc21)c1ccccc1 ZINC000415052425 334260481 /nfs/dbraw/zinc/26/04/81/334260481.db2.gz LERIGQSUHZAOEE-LJQANCHMSA-N 1 3 305.425 3.805 20 0 DHADHO c1sc2ccccc2c1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415089871 334279974 /nfs/dbraw/zinc/27/99/74/334279974.db2.gz YIIFKFVYIKWVDZ-KURKYZTESA-N 1 3 314.498 3.954 20 0 DHADHO C[C@H](CNC[C@]1(C)CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415089812 334280086 /nfs/dbraw/zinc/28/00/86/334280086.db2.gz YDQNKXWGFQJBOV-IAQYHMDHSA-N 1 3 301.261 3.686 20 0 DHADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415101831 334282571 /nfs/dbraw/zinc/28/25/71/334282571.db2.gz IIUYEFSDERAHFA-WOSRLPQWSA-N 1 3 314.395 3.929 20 0 DHADHO Cc1ccsc1[C@@H](Cc1ccccc1)NCCC[NH+](C)C ZINC000531932192 334296559 /nfs/dbraw/zinc/29/65/59/334296559.db2.gz HSLYHNNQOHKMMS-QGZVFWFLSA-N 1 3 302.487 3.882 20 0 DHADHO Clc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000534973440 334351381 /nfs/dbraw/zinc/35/13/81/334351381.db2.gz ROXKLNUBTHRYTK-SCLBCKFNSA-N 1 3 304.865 3.791 20 0 DHADHO Clc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000534973440 334351383 /nfs/dbraw/zinc/35/13/83/334351383.db2.gz ROXKLNUBTHRYTK-SCLBCKFNSA-N 1 3 304.865 3.791 20 0 DHADHO COc1ccc([C@@H](C)NCC[N@@H+]2CC[C@H](C)C2)c2ccccc12 ZINC000531984232 334359169 /nfs/dbraw/zinc/35/91/69/334359169.db2.gz PIPHDVCYUGROGZ-JKSUJKDBSA-N 1 3 312.457 3.841 20 0 DHADHO COc1ccc([C@@H](C)NCC[N@H+]2CC[C@H](C)C2)c2ccccc12 ZINC000531984232 334359171 /nfs/dbraw/zinc/35/91/71/334359171.db2.gz PIPHDVCYUGROGZ-JKSUJKDBSA-N 1 3 312.457 3.841 20 0 DHADHO C[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000531987712 334361163 /nfs/dbraw/zinc/36/11/63/334361163.db2.gz BBANFMPPCBNLLV-HNNXBMFYSA-N 1 3 316.489 3.714 20 0 DHADHO Cc1cc(Cl)c2c(c1)[C@@H](NCC1=CC[N@H+](C)CC1)CCCO2 ZINC000344308442 335239425 /nfs/dbraw/zinc/23/94/25/335239425.db2.gz YODXVVJMHXCXBJ-KRWDZBQOSA-N 1 3 320.864 3.714 20 0 DHADHO Cc1cc(Cl)c2c(c1)[C@@H](NCC1=CC[N@@H+](C)CC1)CCCO2 ZINC000344308442 335239427 /nfs/dbraw/zinc/23/94/27/335239427.db2.gz YODXVVJMHXCXBJ-KRWDZBQOSA-N 1 3 320.864 3.714 20 0 DHADHO c1ccc(-c2cccc(C[NH2+]C3CC(N4CCCCC4)C3)c2)nc1 ZINC000366869103 335254788 /nfs/dbraw/zinc/25/47/88/335254788.db2.gz DCHYVIKUWZCLBR-UHFFFAOYSA-N 1 3 321.468 3.855 20 0 DHADHO Cc1ccc(C)n1C1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351638962 336053863 /nfs/dbraw/zinc/05/38/63/336053863.db2.gz NVTMETPZQVZXDR-SFHVURJKSA-N 1 3 303.494 3.616 20 0 DHADHO Cc1ccc(C)n1C1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351638962 336053864 /nfs/dbraw/zinc/05/38/64/336053864.db2.gz NVTMETPZQVZXDR-SFHVURJKSA-N 1 3 303.494 3.616 20 0 DHADHO CCc1ccc(CNC2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000352761106 336233434 /nfs/dbraw/zinc/23/34/34/336233434.db2.gz UNUUNIRQCKKZGO-UHFFFAOYSA-N 1 3 315.505 3.777 20 0 DHADHO Cc1nc(-c2ccc(CN[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)cs1 ZINC000532470981 336249632 /nfs/dbraw/zinc/24/96/32/336249632.db2.gz UMKQPYLPSIYSBT-GUYCJALGSA-N 1 3 315.486 3.548 20 0 DHADHO Cc1nc(-c2ccc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)cs1 ZINC000532470981 336249633 /nfs/dbraw/zinc/24/96/33/336249633.db2.gz UMKQPYLPSIYSBT-GUYCJALGSA-N 1 3 315.486 3.548 20 0 DHADHO CC(C)CN1CCC([NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000532451804 336250046 /nfs/dbraw/zinc/25/00/46/336250046.db2.gz QPIJBRIDQLZEKS-IFXJQAMLSA-N 1 3 304.453 3.769 20 0 DHADHO CC[NH+]1CCC(CCN[C@H](C)c2ccc(C)cc2OC)CC1 ZINC000532523047 336252986 /nfs/dbraw/zinc/25/29/86/336252986.db2.gz UEZPIGLJZVKREK-MRXNPFEDSA-N 1 3 304.478 3.776 20 0 DHADHO Cc1cc(NC2CC[NH+](C)CC2)c2cc(OC(F)F)ccc2n1 ZINC000301704140 336324513 /nfs/dbraw/zinc/32/45/13/336324513.db2.gz ARNPOYIWUAVPKA-UHFFFAOYSA-N 1 3 321.371 3.651 20 0 DHADHO CCc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)c2ccccc2n1 ZINC000301996533 336342178 /nfs/dbraw/zinc/34/21/78/336342178.db2.gz TWRILYMWGXWLFF-QGZVFWFLSA-N 1 3 309.457 3.862 20 0 DHADHO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000314731962 336382446 /nfs/dbraw/zinc/38/24/46/336382446.db2.gz NFZPHTDNAQXXBV-DLBZAZTESA-N 1 3 304.478 3.858 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000563976846 336389335 /nfs/dbraw/zinc/38/93/35/336389335.db2.gz VVGXATMSFCZBAZ-FGTMMUONSA-N 1 3 322.880 3.667 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1 ZINC000358052715 336608821 /nfs/dbraw/zinc/60/88/21/336608821.db2.gz YQRVGAFZCNAZMH-MDZRGWNJSA-N 1 3 322.468 3.756 20 0 DHADHO CO[C@@H](C)[C@@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000360707874 336719876 /nfs/dbraw/zinc/71/98/76/336719876.db2.gz OHAMPMSFWRXPOQ-SJORKVTESA-N 1 3 304.478 3.576 20 0 DHADHO CC[NH+]1CCC(CCN[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000121678736 336970327 /nfs/dbraw/zinc/97/03/27/336970327.db2.gz GQAXEETXWDPMFU-GOSISDBHSA-N 1 3 320.452 3.751 20 0 DHADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000376081330 337026544 /nfs/dbraw/zinc/02/65/44/337026544.db2.gz JOTVSEOFHJPFQZ-KWCYVHTRSA-N 1 3 310.894 3.745 20 0 DHADHO COC1(C[C@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)CCC1 ZINC000376098536 337026959 /nfs/dbraw/zinc/02/69/59/337026959.db2.gz QDJKAEXPGLEZEA-INIZCTEOSA-N 1 3 308.510 3.578 20 0 DHADHO CN(C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000377121613 337047142 /nfs/dbraw/zinc/04/71/42/337047142.db2.gz WJNLARLHTSEXDC-CTNGQTDRSA-N 1 3 323.484 3.959 20 0 DHADHO C[C@@H]([NH2+]CC1CCN(C)CC1)c1cc(Br)cs1 ZINC000194028037 337081333 /nfs/dbraw/zinc/08/13/33/337081333.db2.gz ICRODIUKDUAIOC-SNVBAGLBSA-N 1 3 317.296 3.503 20 0 DHADHO C[C@H]1C[C@H]1c1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000582472027 337095292 /nfs/dbraw/zinc/09/52/92/337095292.db2.gz XUXITXSXNFJOAP-KBXCAEBGSA-N 1 3 311.429 3.557 20 0 DHADHO C[C@H](C[NH2+]CCCN1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000582633947 337116463 /nfs/dbraw/zinc/11/64/63/337116463.db2.gz YPCJJRSHRHHIRQ-CQSZACIVSA-N 1 3 314.395 3.884 20 0 DHADHO C[C@H](CNCCC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000582633947 337116464 /nfs/dbraw/zinc/11/64/64/337116464.db2.gz YPCJJRSHRHHIRQ-CQSZACIVSA-N 1 3 314.395 3.884 20 0 DHADHO CCC[C@@H](NC1CC[NH+](C(C)C)CC1)c1ccc(OC)cc1 ZINC000180404628 337174240 /nfs/dbraw/zinc/17/42/40/337174240.db2.gz QYWRSWIVKDZKBD-LJQANCHMSA-N 1 3 304.478 3.999 20 0 DHADHO COCCC1(CN2CCC([NH+]3CCCC3)CC2)CCCCC1 ZINC000189631932 337281028 /nfs/dbraw/zinc/28/10/28/337281028.db2.gz VLKDTLLTGTTWQG-UHFFFAOYSA-N 1 3 308.510 3.534 20 0 DHADHO COCCC1(C[NH+]2CCC(N3CCCC3)CC2)CCCCC1 ZINC000189631932 337281029 /nfs/dbraw/zinc/28/10/29/337281029.db2.gz VLKDTLLTGTTWQG-UHFFFAOYSA-N 1 3 308.510 3.534 20 0 DHADHO Cc1c[nH+]ccc1NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000192544868 337306300 /nfs/dbraw/zinc/30/63/00/337306300.db2.gz YFDGJTMKQSIKNL-HNNXBMFYSA-N 1 3 301.459 3.776 20 0 DHADHO Clc1cccc2c1CC[C@H]2N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420332228 337499398 /nfs/dbraw/zinc/49/93/98/337499398.db2.gz GJAGBVGVDXGETF-ZWKOTPCHSA-N 1 3 304.865 3.791 20 0 DHADHO Cc1ccc(C(C)(C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422703026 337683687 /nfs/dbraw/zinc/68/36/87/337683687.db2.gz GQDAWUGTUXMVHB-CEXWTWQISA-N 1 3 300.490 3.783 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422816956 337688036 /nfs/dbraw/zinc/68/80/36/337688036.db2.gz BTHSPBNNMULWAI-WFASDCNBSA-N 1 3 301.261 3.643 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422837802 337688688 /nfs/dbraw/zinc/68/86/88/337688688.db2.gz MWEZMDFVAHMSKH-CABCVRRESA-N 1 3 310.441 3.504 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1csc(C(C)(C)C)n1 ZINC000423016039 337695676 /nfs/dbraw/zinc/69/56/76/337695676.db2.gz ATOHQVKTYMGOSS-HUUCEWRRSA-N 1 3 323.550 3.884 20 0 DHADHO Cc1cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1Cl ZINC000423039079 337696606 /nfs/dbraw/zinc/69/66/06/337696606.db2.gz PQTMTZDJNRETRQ-LBPRGKRZSA-N 1 3 303.837 3.661 20 0 DHADHO CCCNc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423069350 337698180 /nfs/dbraw/zinc/69/81/80/337698180.db2.gz AUQZDYLODLUTRB-GBESFXJTSA-N 1 3 301.478 3.519 20 0 DHADHO Cc1c2cc(Cl)ccc2sc1CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423095996 337699114 /nfs/dbraw/zinc/69/91/14/337699114.db2.gz GUTJJVMOIUWNAR-RYUDHWBXSA-N 1 3 308.878 3.951 20 0 DHADHO Fc1cc(F)cc([C@H]2C[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423095201 337699192 /nfs/dbraw/zinc/69/91/92/337699192.db2.gz LPJAHDAOENMBJO-NTDXCCSUSA-N 1 3 320.427 3.721 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423105086 337699686 /nfs/dbraw/zinc/69/96/86/337699686.db2.gz NBPSUZHEJLYHSI-DCGLDWPTSA-N 1 3 310.869 3.523 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423128327 337700694 /nfs/dbraw/zinc/70/06/94/337700694.db2.gz VRYBLYAREPLQCN-AFYVEPGGSA-N 1 3 316.489 3.807 20 0 DHADHO FC(F)(F)c1ccc([C@H]2CC[C@@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000423190098 337703089 /nfs/dbraw/zinc/70/30/89/337703089.db2.gz RONZLNHPTMBURO-XJKSGUPXSA-N 1 3 312.379 3.683 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423204400 337703929 /nfs/dbraw/zinc/70/39/29/337703929.db2.gz AMXFHEIFAKFIEO-ZUWCUPBKSA-N 1 3 312.910 3.871 20 0 DHADHO C[C@H]([NH3+])CCN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423222299 337705579 /nfs/dbraw/zinc/70/55/79/337705579.db2.gz ANEUGXUMRLDBLS-UGSOOPFHSA-N 1 3 304.384 3.576 20 0 DHADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423292635 337710331 /nfs/dbraw/zinc/71/03/31/337710331.db2.gz NPIIAEQWHHOSRJ-KPZWWZAWSA-N 1 3 314.404 3.631 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423294586 337710750 /nfs/dbraw/zinc/71/07/50/337710750.db2.gz UXEYCPMGOQPPFY-XOBRGWDASA-N 1 3 310.441 3.882 20 0 DHADHO C[C@H]([NH3+])c1ccc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000423296823 337711025 /nfs/dbraw/zinc/71/10/25/337711025.db2.gz ZXOWBJWAEHQFHQ-YRISNDGFSA-N 1 3 324.468 3.964 20 0 DHADHO C[C@@H](NCC1=CC[NH2+]CC1)c1cc(Cl)ccc1OC(F)F ZINC000423349833 337713272 /nfs/dbraw/zinc/71/32/72/337713272.db2.gz XSTRNORRGBFBBT-SNVBAGLBSA-N 1 3 316.779 3.512 20 0 DHADHO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423368978 337714772 /nfs/dbraw/zinc/71/47/72/337714772.db2.gz DPJVTVMTTFBPJW-FXAWDEMLSA-N 1 3 321.468 3.809 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423401188 337715725 /nfs/dbraw/zinc/71/57/25/337715725.db2.gz VWADOHLNCFZQRH-WCFLWFBJSA-N 1 3 302.340 3.506 20 0 DHADHO CCOc1ccc(Cl)cc1[C@@H](C)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423427507 337717094 /nfs/dbraw/zinc/71/70/94/337717094.db2.gz FUALGXOFFUPLME-OAUYIBNBSA-N 1 3 322.880 3.777 20 0 DHADHO COc1ccc([C@@H](NCc2ccc3c(c2)C[NH2+]C3)C(C)C)cc1 ZINC000423394330 337718622 /nfs/dbraw/zinc/71/86/22/337718622.db2.gz RFRPHHIGYIYGLZ-FQEVSTJZSA-N 1 3 310.441 3.785 20 0 DHADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1OC(F)F ZINC000423474493 337721417 /nfs/dbraw/zinc/72/14/17/337721417.db2.gz HKVNRPZILDSWTH-WCQYABFASA-N 1 3 316.367 3.610 20 0 DHADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccccc1N(C)C ZINC000093941538 337923075 /nfs/dbraw/zinc/92/30/75/337923075.db2.gz MPPIQDWCERRQTN-INIZCTEOSA-N 1 3 311.473 3.665 20 0 DHADHO CC[NH+](CC)CC1CCN(CCOc2c(C)cccc2C)CC1 ZINC000515412728 337988244 /nfs/dbraw/zinc/98/82/44/337988244.db2.gz JFMVTUCWIYBGLK-UHFFFAOYSA-N 1 3 318.505 3.736 20 0 DHADHO Cc1cc(F)ccc1C1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000428735114 338059958 /nfs/dbraw/zinc/05/99/58/338059958.db2.gz CKFKWSFOGBIMOG-SFHVURJKSA-N 1 3 304.453 3.798 20 0 DHADHO Cc1cc(F)ccc1C1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000428735114 338059959 /nfs/dbraw/zinc/05/99/59/338059959.db2.gz CKFKWSFOGBIMOG-SFHVURJKSA-N 1 3 304.453 3.798 20 0 DHADHO Cc1cc(F)ccc1C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000428735114 338059960 /nfs/dbraw/zinc/05/99/60/338059960.db2.gz CKFKWSFOGBIMOG-SFHVURJKSA-N 1 3 304.453 3.798 20 0 DHADHO CN1CC=C(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000429423734 338080606 /nfs/dbraw/zinc/08/06/06/338080606.db2.gz YZGVRVKRQGWUEW-NRFANRHFSA-N 1 3 324.443 3.961 20 0 DHADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCSc2ccccc2Cl)C1 ZINC000430585948 338109287 /nfs/dbraw/zinc/10/92/87/338109287.db2.gz UIRCIGYRCKXNOJ-KGLIPLIRSA-N 1 3 312.910 3.881 20 0 DHADHO C[C@@H](CCNCCSCc1ccccc1)[NH+]1CCCCC1 ZINC000430759848 338114025 /nfs/dbraw/zinc/11/40/25/338114025.db2.gz ZJLRADXDRSNWHV-KRWDZBQOSA-N 1 3 306.519 3.774 20 0 DHADHO C[C@@H](CC[NH2+]CCSCc1ccccc1)N1CCCCC1 ZINC000430759848 338114026 /nfs/dbraw/zinc/11/40/26/338114026.db2.gz ZJLRADXDRSNWHV-KRWDZBQOSA-N 1 3 306.519 3.774 20 0 DHADHO CN(C)Cc1cccc(C[NH2+]CCSCc2ccccc2)c1 ZINC000430770855 338114448 /nfs/dbraw/zinc/11/44/48/338114448.db2.gz WRWGNCOMRTYSHC-UHFFFAOYSA-N 1 3 314.498 3.771 20 0 DHADHO CCN(Cc1cccc(-c2cccnc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435389486 338238769 /nfs/dbraw/zinc/23/87/69/338238769.db2.gz KPZYOJAYTOYIHS-HXUWFJFHSA-N 1 3 309.457 3.713 20 0 DHADHO CC(C)(C)N1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436280896 338265557 /nfs/dbraw/zinc/26/55/57/338265557.db2.gz LUAJDKSKEOVQQB-UHFFFAOYSA-N 1 3 303.425 3.660 20 0 DHADHO C[C@H](C[N@@H+]1CC[C@@H](CN2CCCCC2)C1)c1ccc(F)cc1 ZINC000438130949 338333756 /nfs/dbraw/zinc/33/37/56/338333756.db2.gz VLHMADZCKSJSAP-SJORKVTESA-N 1 3 304.453 3.737 20 0 DHADHO C[C@H](C[N@H+]1CC[C@@H](CN2CCCCC2)C1)c1ccc(F)cc1 ZINC000438130949 338333757 /nfs/dbraw/zinc/33/37/57/338333757.db2.gz VLHMADZCKSJSAP-SJORKVTESA-N 1 3 304.453 3.737 20 0 DHADHO CN1CCCC[C@H]1CC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440571364 338390723 /nfs/dbraw/zinc/39/07/23/338390723.db2.gz YFOLTVXKMQSJKO-LXZJYRNTSA-N 1 3 320.521 3.530 20 0 DHADHO CN1CCCC[C@H]1CC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440571364 338390724 /nfs/dbraw/zinc/39/07/24/338390724.db2.gz YFOLTVXKMQSJKO-LXZJYRNTSA-N 1 3 320.521 3.530 20 0 DHADHO CCC[NH+]1CCC(CNCc2ncc(C(C)(C)C)s2)CC1 ZINC000447945728 338572499 /nfs/dbraw/zinc/57/24/99/338572499.db2.gz RJNPKILLNFESIY-UHFFFAOYSA-N 1 3 309.523 3.652 20 0 DHADHO C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)CN1CCCC1 ZINC000449092160 338592586 /nfs/dbraw/zinc/59/25/86/338592586.db2.gz RXHTWOYIEUEQJT-LRYGQEGESA-N 1 3 308.510 3.578 20 0 DHADHO CC[C@@H](O)CCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449162140 338598260 /nfs/dbraw/zinc/59/82/60/338598260.db2.gz QSJLWCOLZGPTPZ-QGZVFWFLSA-N 1 3 312.542 3.806 20 0 DHADHO CC(C)[C@@H]1C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000449505968 338632938 /nfs/dbraw/zinc/63/29/38/338632938.db2.gz ZUDPPBPWCVCWRY-PXNSSMCTSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H]1CCCC[C@H]1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459418345 339028124 /nfs/dbraw/zinc/02/81/24/339028124.db2.gz VFKNCSYWXAHDJL-IRXDYDNUSA-N 1 3 301.478 3.856 20 0 DHADHO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccncc3)CC1)[C@H](C)C2 ZINC000459469392 339031118 /nfs/dbraw/zinc/03/11/18/339031118.db2.gz SENXVNNWYDNBQL-IIBYNOLFSA-N 1 3 321.468 3.882 20 0 DHADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc2ncsc2c1 ZINC000459505883 339033034 /nfs/dbraw/zinc/03/30/34/339033034.db2.gz TUPLQJNOTPPCGJ-GFCCVEGCSA-N 1 3 301.459 3.574 20 0 DHADHO CO[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C12CCC2 ZINC000459782656 339048267 /nfs/dbraw/zinc/04/82/67/339048267.db2.gz MTPNEEDCSXDCDC-XGXHKWSGSA-N 1 3 320.521 3.577 20 0 DHADHO CO[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)C12CCC2 ZINC000459782656 339048268 /nfs/dbraw/zinc/04/82/68/339048268.db2.gz MTPNEEDCSXDCDC-XGXHKWSGSA-N 1 3 320.521 3.577 20 0 DHADHO CCC[NH+]1CCC(N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000462102416 339072161 /nfs/dbraw/zinc/07/21/61/339072161.db2.gz BZNGGAZOIBTJNK-WOJBJXKFSA-N 1 3 316.489 3.679 20 0 DHADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000462787495 339088690 /nfs/dbraw/zinc/08/86/90/339088690.db2.gz KGSDYGJVRKARLF-PXTPFGJHSA-N 1 3 322.537 3.539 20 0 DHADHO CCCN(CCC)CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000464060406 339132402 /nfs/dbraw/zinc/13/24/02/339132402.db2.gz BVOYMBORCBBFEZ-IPMKNSEASA-N 1 3 310.526 3.683 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN2CCCC2)C1 ZINC000467372108 339234934 /nfs/dbraw/zinc/23/49/34/339234934.db2.gz ZIQSUUPFGCMJRZ-QRQLOZEOSA-N 1 3 315.505 3.738 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000467444548 339239049 /nfs/dbraw/zinc/23/90/49/339239049.db2.gz HPVSMZYDXDHCJB-SOLBZPMBSA-N 1 3 304.478 3.714 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@H](C)C1 ZINC000468812045 339271491 /nfs/dbraw/zinc/27/14/91/339271491.db2.gz CTLZCICDTIQCCR-APWZRJJASA-N 1 3 316.489 3.828 20 0 DHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4ccc(F)cc4)s3)C[C@@H]12 ZINC000469871375 339303348 /nfs/dbraw/zinc/30/33/48/339303348.db2.gz RUCOLJBCENEEPY-IAOVAPTHSA-N 1 3 316.445 3.723 20 0 DHADHO C[NH2+]CC1CCN(Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000469990002 339307078 /nfs/dbraw/zinc/30/70/78/339307078.db2.gz IEVRQLLQRLVCRZ-UHFFFAOYSA-N 1 3 312.432 3.924 20 0 DHADHO C[NH2+]CC1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000470023212 339309013 /nfs/dbraw/zinc/30/90/13/339309013.db2.gz XRRNGHLBQQJXLR-UHFFFAOYSA-N 1 3 302.393 3.517 20 0 DHADHO CCN(CC)CCC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000472577229 339374102 /nfs/dbraw/zinc/37/41/02/339374102.db2.gz CDEJOWWRBPBGNH-QGZVFWFLSA-N 1 3 306.519 3.833 20 0 DHADHO CCN(CC)CCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000472577229 339374103 /nfs/dbraw/zinc/37/41/03/339374103.db2.gz CDEJOWWRBPBGNH-QGZVFWFLSA-N 1 3 306.519 3.833 20 0 DHADHO COc1ccc(C2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000472590448 339374662 /nfs/dbraw/zinc/37/46/62/339374662.db2.gz STUFYXBHHOGEFE-IBGZPJMESA-N 1 3 316.489 3.749 20 0 DHADHO COc1ccc(C2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000472590448 339374663 /nfs/dbraw/zinc/37/46/63/339374663.db2.gz STUFYXBHHOGEFE-IBGZPJMESA-N 1 3 316.489 3.749 20 0 DHADHO CC(C)N(CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C(C)C ZINC000474041439 339398479 /nfs/dbraw/zinc/39/84/79/339398479.db2.gz ZBNVVLAGRFVEIM-IPMKNSEASA-N 1 3 310.526 3.680 20 0 DHADHO CC(C)[C@H]1CCC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000474594406 339419199 /nfs/dbraw/zinc/41/91/99/339419199.db2.gz AOMGDTIQGMPTDX-AKHDSKFASA-N 1 3 310.526 3.680 20 0 DHADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccc(C)nc1 ZINC000474796798 339426413 /nfs/dbraw/zinc/42/64/13/339426413.db2.gz BWRDHTDLKQQFIY-UXHICEINSA-N 1 3 317.521 3.813 20 0 DHADHO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000480335557 339568960 /nfs/dbraw/zinc/56/89/60/339568960.db2.gz OFBRQMZFFCLULS-ZDUSSCGKSA-N 1 3 302.384 3.959 20 0 DHADHO CC[C@H](NCCCCC[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000493060964 339916234 /nfs/dbraw/zinc/91/62/34/339916234.db2.gz QURRBZNKUXQBOE-KRWDZBQOSA-N 1 3 307.457 3.918 20 0 DHADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000494906845 339964285 /nfs/dbraw/zinc/96/42/85/339964285.db2.gz FSZDIKVSOIPJNC-GQIGUUNPSA-N 1 3 316.489 3.541 20 0 DHADHO C[C@@H]([NH2+]CCCCC1CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000499624729 340041332 /nfs/dbraw/zinc/04/13/32/340041332.db2.gz JICIJKAQNSHNSR-MJGOQNOKSA-N 1 3 322.537 3.826 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000501386202 340079861 /nfs/dbraw/zinc/07/98/61/340079861.db2.gz KIUSLHPRMDPVAI-SFHVURJKSA-N 1 3 318.505 3.822 20 0 DHADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000516583888 340085727 /nfs/dbraw/zinc/08/57/27/340085727.db2.gz KZAFYZNWGCNCAL-NJDAHSKKSA-N 1 3 308.469 3.872 20 0 DHADHO C[NH+](C)CCCC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000501779934 340088520 /nfs/dbraw/zinc/08/85/20/340088520.db2.gz ZRLRTVKRNQGQRX-UHFFFAOYSA-N 1 3 300.446 3.987 20 0 DHADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(Cc2ccccc2F)CC1 ZINC000502860638 340114980 /nfs/dbraw/zinc/11/49/80/340114980.db2.gz YYZOITYTILKBCL-GOSISDBHSA-N 1 3 304.453 3.565 20 0 DHADHO C[N@H+]1CCC[C@@H]1CCN1CCC(Cc2ccccc2F)CC1 ZINC000502860638 340114981 /nfs/dbraw/zinc/11/49/81/340114981.db2.gz YYZOITYTILKBCL-GOSISDBHSA-N 1 3 304.453 3.565 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000503037981 340119409 /nfs/dbraw/zinc/11/94/09/340119409.db2.gz UPUNRLKEDOULED-CTNGQTDRSA-N 1 3 324.468 3.520 20 0 DHADHO Cc1cc2cc(CN3CCC(C[NH+](C)C)CC3)oc2cc1C ZINC000506933309 340203862 /nfs/dbraw/zinc/20/38/62/340203862.db2.gz WFBLRKYYKQBFET-UHFFFAOYSA-N 1 3 300.446 3.823 20 0 DHADHO C1=C(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000507462617 340220761 /nfs/dbraw/zinc/22/07/61/340220761.db2.gz PIPZRXQEMMBWFT-PCCBWWKXSA-N 1 3 310.485 3.987 20 0 DHADHO CC1CCN(CCC[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000510176245 340291672 /nfs/dbraw/zinc/29/16/72/340291672.db2.gz NIXKHZMTHLFXAX-RQOWECAXSA-N 1 3 308.416 3.690 20 0 DHADHO C[NH+](C)CC[C@H](NC/C=C\c1ccc(F)c(F)c1)C(C)(C)C ZINC000512050639 340346750 /nfs/dbraw/zinc/34/67/50/340346750.db2.gz CYTBOWNTDYOUTG-TUYSUELWSA-N 1 3 310.432 3.934 20 0 DHADHO c1coc(CC[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000512652785 340371053 /nfs/dbraw/zinc/37/10/53/340371053.db2.gz BMBHMCCCYAXUSI-JBACZVJFSA-N 1 3 324.468 3.712 20 0 DHADHO c1coc(CCN[C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512652785 340371054 /nfs/dbraw/zinc/37/10/54/340371054.db2.gz BMBHMCCCYAXUSI-JBACZVJFSA-N 1 3 324.468 3.712 20 0 DHADHO c1coc(CCN[C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512652785 340371055 /nfs/dbraw/zinc/37/10/55/340371055.db2.gz BMBHMCCCYAXUSI-JBACZVJFSA-N 1 3 324.468 3.712 20 0 DHADHO c1ccc(CN2C[C@H]3CCC[C@@H]([NH2+][C@H]4CC=CCC4)[C@@H]3C2)cc1 ZINC000512672690 340372290 /nfs/dbraw/zinc/37/22/90/340372290.db2.gz LUGCTFGNGQITLU-PLACYPQZSA-N 1 3 310.485 3.985 20 0 DHADHO CCC1CCC([NH2+]Cc2cccc(OCCN(C)C)c2)CC1 ZINC000512840032 340380234 /nfs/dbraw/zinc/38/02/34/340380234.db2.gz LVYROGOOEAYRSB-UHFFFAOYSA-N 1 3 304.478 3.685 20 0 DHADHO C/C(=C\c1ccc(Cl)cc1)CNC1CC[NH+](C2CC2)CC1 ZINC000513015000 340388587 /nfs/dbraw/zinc/38/85/87/340388587.db2.gz PIVPXKYBHKDBLH-WYMLVPIESA-N 1 3 304.865 3.960 20 0 DHADHO CCC[NH+]1CCC(CN[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000513367502 340404006 /nfs/dbraw/zinc/40/40/06/340404006.db2.gz VEGPPWTVYPEOHW-KRWDZBQOSA-N 1 3 308.416 3.664 20 0 DHADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000539071933 340870484 /nfs/dbraw/zinc/87/04/84/340870484.db2.gz FWPQEHHLDKFDHL-AKHDSKFASA-N 1 3 310.526 3.680 20 0 DHADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C(C)(C)C ZINC000540191781 340922478 /nfs/dbraw/zinc/92/24/78/340922478.db2.gz WUHOLQUJGSMYHE-GOSISDBHSA-N 1 3 317.521 3.613 20 0 DHADHO Cc1ccc(CCCN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000542278847 341003124 /nfs/dbraw/zinc/00/31/24/341003124.db2.gz SBBBCMHUNMZYHW-FQEVSTJZSA-N 1 3 300.490 3.591 20 0 DHADHO Cc1ccc(CCCN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000542278847 341003125 /nfs/dbraw/zinc/00/31/25/341003125.db2.gz SBBBCMHUNMZYHW-FQEVSTJZSA-N 1 3 300.490 3.591 20 0 DHADHO Cc1ccc(CCC[N@H+]2CC[C@@H](CN(C)CC3CC3)C2)cc1 ZINC000542278847 341003126 /nfs/dbraw/zinc/00/31/26/341003126.db2.gz SBBBCMHUNMZYHW-FQEVSTJZSA-N 1 3 300.490 3.591 20 0 DHADHO Cc1ccc(CCC[N@@H+]2CC[C@@H](CN(C)CC3CC3)C2)cc1 ZINC000542278847 341003127 /nfs/dbraw/zinc/00/31/27/341003127.db2.gz SBBBCMHUNMZYHW-FQEVSTJZSA-N 1 3 300.490 3.591 20 0 DHADHO Cc1ccc(CCCN2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000542278848 341003180 /nfs/dbraw/zinc/00/31/80/341003180.db2.gz SBBBCMHUNMZYHW-HXUWFJFHSA-N 1 3 300.490 3.591 20 0 DHADHO Cc1ccc(CCCN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000542278848 341003181 /nfs/dbraw/zinc/00/31/81/341003181.db2.gz SBBBCMHUNMZYHW-HXUWFJFHSA-N 1 3 300.490 3.591 20 0 DHADHO Cc1ccc(CCC[N@H+]2CC[C@H](CN(C)CC3CC3)C2)cc1 ZINC000542278848 341003182 /nfs/dbraw/zinc/00/31/82/341003182.db2.gz SBBBCMHUNMZYHW-HXUWFJFHSA-N 1 3 300.490 3.591 20 0 DHADHO Cc1ccc(CCC[N@@H+]2CC[C@H](CN(C)CC3CC3)C2)cc1 ZINC000542278848 341003183 /nfs/dbraw/zinc/00/31/83/341003183.db2.gz SBBBCMHUNMZYHW-HXUWFJFHSA-N 1 3 300.490 3.591 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1cccc(OCCN(C)C)c1 ZINC000542501425 341010814 /nfs/dbraw/zinc/01/08/14/341010814.db2.gz YSGWPXXNQISBAC-CRAIPNDOSA-N 1 3 322.518 3.563 20 0 DHADHO CCCN1CCC([N@H+](C)C/C=C\c2ccc(F)cc2F)CC1 ZINC000542701822 341017987 /nfs/dbraw/zinc/01/79/87/341017987.db2.gz LVRQXQFRQNXWLA-PLNGDYQASA-N 1 3 308.416 3.784 20 0 DHADHO CCCN1CCC([N@@H+](C)C/C=C\c2ccc(F)cc2F)CC1 ZINC000542701822 341017988 /nfs/dbraw/zinc/01/79/88/341017988.db2.gz LVRQXQFRQNXWLA-PLNGDYQASA-N 1 3 308.416 3.784 20 0 DHADHO C[C@H](CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)N1CCCCC1 ZINC000130382466 341020507 /nfs/dbraw/zinc/02/05/07/341020507.db2.gz XBWWKOIVYQKLJZ-ILXRZTDVSA-N 1 3 306.416 3.962 20 0 DHADHO CCC(CC)(CC)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000543617663 341051104 /nfs/dbraw/zinc/05/11/04/341051104.db2.gz CVMRJRIGEYWMDP-UHFFFAOYSA-N 1 3 323.569 3.552 20 0 DHADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000237054716 341206442 /nfs/dbraw/zinc/20/64/42/341206442.db2.gz MXVGOCQDTZVTLY-CVEARBPZSA-N 1 3 314.395 3.959 20 0 DHADHO Cc1cc(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000237667552 341218029 /nfs/dbraw/zinc/21/80/29/341218029.db2.gz SINXHPNHWAQJLZ-KDURUIRLSA-N 1 3 318.505 3.591 20 0 DHADHO CC(C)CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000549542132 341296942 /nfs/dbraw/zinc/29/69/42/341296942.db2.gz COZOZBCTJZPHCS-ZIFCJYIRSA-N 1 3 310.526 3.680 20 0 DHADHO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CCN(CC)C3)oc21 ZINC000245830165 341315710 /nfs/dbraw/zinc/31/57/10/341315710.db2.gz BNZSZTKXWJHOOH-HUUCEWRRSA-N 1 3 316.445 3.824 20 0 DHADHO COc1ccccc1[C@@H](NC[C@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000246019624 341322222 /nfs/dbraw/zinc/32/22/22/341322222.db2.gz LHBIDKORABKUGI-UZLBHIALSA-N 1 3 316.489 3.858 20 0 DHADHO COc1ccccc1[C@@H](NC[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000246019624 341322223 /nfs/dbraw/zinc/32/22/23/341322223.db2.gz LHBIDKORABKUGI-UZLBHIALSA-N 1 3 316.489 3.858 20 0 DHADHO CCOC1(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCCC1 ZINC000550881849 341325382 /nfs/dbraw/zinc/32/53/82/341325382.db2.gz DTOBGSPJJWXFPU-MJGOQNOKSA-N 1 3 322.537 3.968 20 0 DHADHO CCOC1(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCCC1 ZINC000550881849 341325383 /nfs/dbraw/zinc/32/53/83/341325383.db2.gz DTOBGSPJJWXFPU-MJGOQNOKSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCOC(C)(C)C3)CC2)C1 ZINC000246528958 341353196 /nfs/dbraw/zinc/35/31/96/341353196.db2.gz VFRDCYFHEPZCGH-BPQIPLTHSA-N 1 3 308.510 3.577 20 0 DHADHO CC[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000246864591 341357985 /nfs/dbraw/zinc/35/79/85/341357985.db2.gz CQRPLHAMQNSHDA-KCYZZUKISA-N 1 3 324.896 3.816 20 0 DHADHO CC[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000246864591 341357986 /nfs/dbraw/zinc/35/79/86/341357986.db2.gz CQRPLHAMQNSHDA-KCYZZUKISA-N 1 3 324.896 3.816 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000246894939 341358290 /nfs/dbraw/zinc/35/82/90/341358290.db2.gz FOEZZVBTIWXZTK-ABAIWWIYSA-N 1 3 313.272 3.912 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(C)s2)[C@@H](C)C1 ZINC000247199336 341362193 /nfs/dbraw/zinc/36/21/93/341362193.db2.gz WFWGHXJQPHIAEA-UAGQMJEPSA-N 1 3 324.534 3.844 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(C)s2)[C@@H](C)C1 ZINC000247199336 341362194 /nfs/dbraw/zinc/36/21/94/341362194.db2.gz WFWGHXJQPHIAEA-UAGQMJEPSA-N 1 3 324.534 3.844 20 0 DHADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000552046617 341364740 /nfs/dbraw/zinc/36/47/40/341364740.db2.gz MOCKPKQPKKBLRJ-HSALFYBXSA-N 1 3 300.490 3.575 20 0 DHADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000261558422 341372127 /nfs/dbraw/zinc/37/21/27/341372127.db2.gz SJFWPFQLXJWZRS-TZIWHRDSSA-N 1 3 324.468 3.525 20 0 DHADHO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000248392058 341376337 /nfs/dbraw/zinc/37/63/37/341376337.db2.gz CTNBNBBTKZEFGK-BQFCYCMXSA-N 1 3 316.489 3.999 20 0 DHADHO CCCCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000552225207 341379416 /nfs/dbraw/zinc/37/94/16/341379416.db2.gz DLUQLWHBEMPNLF-XUVXKRRUSA-N 1 3 316.489 3.828 20 0 DHADHO CCCCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000552225207 341379417 /nfs/dbraw/zinc/37/94/17/341379417.db2.gz DLUQLWHBEMPNLF-XUVXKRRUSA-N 1 3 316.489 3.828 20 0 DHADHO CCCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000552225207 341379418 /nfs/dbraw/zinc/37/94/18/341379418.db2.gz DLUQLWHBEMPNLF-XUVXKRRUSA-N 1 3 316.489 3.828 20 0 DHADHO Cc1cc(Cl)cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000552243058 341380799 /nfs/dbraw/zinc/38/07/99/341380799.db2.gz MSEFUTXHMGFDGU-QGZVFWFLSA-N 1 3 306.881 3.812 20 0 DHADHO CC[NH+]1CCC(CCN[C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000091729215 341428047 /nfs/dbraw/zinc/42/80/47/341428047.db2.gz IAZIBRJZFXGOHK-AWEZNQCLSA-N 1 3 321.534 3.795 20 0 DHADHO C[C@@H]([NH2+]CCc1cccs1)c1cccc(OCCN(C)C)c1 ZINC000155580155 341609638 /nfs/dbraw/zinc/60/96/38/341609638.db2.gz HWUANKOKDRDRCQ-OAHLLOKOSA-N 1 3 318.486 3.582 20 0 DHADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cccc(OC(F)F)c1 ZINC000567899548 341639490 /nfs/dbraw/zinc/63/94/90/341639490.db2.gz DLMJKWNWGULXIJ-LBPRGKRZSA-N 1 3 306.356 3.598 20 0 DHADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CS1 ZINC000368462797 518950684 /nfs/dbraw/zinc/95/06/84/518950684.db2.gz QKNCOESFFAJHST-RDJZCZTQSA-N 1 3 310.551 3.903 20 0 DHADHO CC(C)(C)[C@@H]1C[C@H](NC2CC[NH+](C3CCCC3)CC2)CS1 ZINC000368462797 518950691 /nfs/dbraw/zinc/95/06/91/518950691.db2.gz QKNCOESFFAJHST-RDJZCZTQSA-N 1 3 310.551 3.903 20 0 DHADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)CN1CCCC1 ZINC000337277414 519267795 /nfs/dbraw/zinc/26/77/95/519267795.db2.gz FRMJSVUZZGJCHK-IEBWSBKVSA-N 1 3 315.505 3.819 20 0 DHADHO CC(C)[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000181941478 519799167 /nfs/dbraw/zinc/79/91/67/519799167.db2.gz SZFIGZMWXGUUOO-FZKQIMNGSA-N 1 3 308.416 3.736 20 0 DHADHO CC(C)[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000181941478 519799168 /nfs/dbraw/zinc/79/91/68/519799168.db2.gz SZFIGZMWXGUUOO-FZKQIMNGSA-N 1 3 308.416 3.736 20 0 DHADHO CC(C)n1cc([C@@H](C)NCCCC[NH+]2CCC(C)CC2)cn1 ZINC000158201705 519973078 /nfs/dbraw/zinc/97/30/78/519973078.db2.gz WTHGKGIKMZMPHU-QGZVFWFLSA-N 1 3 306.498 3.627 20 0 DHADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000124796974 523819879 /nfs/dbraw/zinc/81/98/79/523819879.db2.gz JWAXTIKVIJPPOS-QGZVFWFLSA-N 1 3 311.473 3.832 20 0 DHADHO C[N@H+]1CCC[C@@H]1CCN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000124796974 523819881 /nfs/dbraw/zinc/81/98/81/523819881.db2.gz JWAXTIKVIJPPOS-QGZVFWFLSA-N 1 3 311.473 3.832 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(-c2cccnc2)cc1 ZINC000181325464 525362989 /nfs/dbraw/zinc/36/29/89/525362989.db2.gz FQFFFYSRQZWHCW-JXFKEZNVSA-N 1 3 309.457 3.884 20 0 DHADHO C[C@H](NCc1cccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156485485 525469392 /nfs/dbraw/zinc/46/93/92/525469392.db2.gz BUQOAUYWDDPQKM-AWEZNQCLSA-N 1 3 304.459 3.539 20 0 DHADHO Cc1ccncc1CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000339416004 525742582 /nfs/dbraw/zinc/74/25/82/525742582.db2.gz YGTJJPQOXWGQMZ-PZJWPPBQSA-N 1 3 323.484 3.562 20 0 DHADHO C[C@H](c1ccccc1Br)N1CCC[C@@H](CC[NH3+])C1 ZINC000226325651 526109639 /nfs/dbraw/zinc/10/96/39/526109639.db2.gz HHLOFNLEMGWKEI-OLZOCXBDSA-N 1 3 311.267 3.571 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCc2ccccn2)CC1 ZINC000158998729 526246008 /nfs/dbraw/zinc/24/60/08/526246008.db2.gz VTGWKLATIQNVTR-SFHVURJKSA-N 1 3 315.505 3.601 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCc2ccccn2)CC1 ZINC000158998729 526246013 /nfs/dbraw/zinc/24/60/13/526246013.db2.gz VTGWKLATIQNVTR-SFHVURJKSA-N 1 3 315.505 3.601 20 0 DHADHO c1c2ccccc2[nH]c1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000266232870 526400977 /nfs/dbraw/zinc/40/09/77/526400977.db2.gz UZSQLPRCQAUFEI-UHFFFAOYSA-N 1 3 319.452 3.922 20 0 DHADHO c1ccc2ncc(CN3CCC(C[NH+]4CCCC4)CC3)cc2c1 ZINC000337134890 526518415 /nfs/dbraw/zinc/51/84/15/526518415.db2.gz LURNRBPICQHSFP-UHFFFAOYSA-N 1 3 309.457 3.543 20 0 DHADHO CC[NH+](CC)CCOCCN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000426016467 1013071936 /nfs/dbraw/zinc/07/19/36/1013071936.db2.gz IRXUGHWDJBWJSG-MRXNPFEDSA-N 1 3 318.461 3.750 20 0 DHADHO C[N@@H+]1CCC[C@H](CNCc2ccc(-c3ccccc3)s2)C1 ZINC000044533223 1013100871 /nfs/dbraw/zinc/10/08/71/1013100871.db2.gz XIYPJWGDCCTENP-OAHLLOKOSA-N 1 3 300.471 3.847 20 0 DHADHO C[N@H+]1CCC[C@H](CNCc2ccc(-c3ccccc3)s2)C1 ZINC000044533223 1013100875 /nfs/dbraw/zinc/10/08/75/1013100875.db2.gz XIYPJWGDCCTENP-OAHLLOKOSA-N 1 3 300.471 3.847 20 0 DHADHO CCCCN1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121189921 1013491357 /nfs/dbraw/zinc/49/13/57/1013491357.db2.gz XFQFWVHZINQZIE-SFHVURJKSA-N 1 3 308.416 3.806 20 0 DHADHO CCCCN1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121189732 1013491484 /nfs/dbraw/zinc/49/14/84/1013491484.db2.gz XFQFWVHZINQZIE-GOSISDBHSA-N 1 3 308.416 3.806 20 0 DHADHO C[C@H](Cc1ccccn1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000655837813 1013761543 /nfs/dbraw/zinc/76/15/43/1013761543.db2.gz WRLQSXUXOJWWSI-HLIPFELVSA-N 1 3 315.505 3.645 20 0 DHADHO COCC1(CC[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000340445709 1013802523 /nfs/dbraw/zinc/80/25/23/1013802523.db2.gz YMKZMLHRHJGHKI-UHFFFAOYSA-N 1 3 308.510 3.580 20 0 DHADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000926113314 1014223254 /nfs/dbraw/zinc/22/32/54/1014223254.db2.gz FGFULUYACLONAW-HNNXBMFYSA-N 1 3 313.445 3.724 20 0 DHADHO CO[C@H](CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CCCC1 ZINC001167426127 1014259247 /nfs/dbraw/zinc/25/92/47/1014259247.db2.gz UWYJWEOTGSRIOI-NLWGTHIKSA-N 1 3 322.537 3.778 20 0 DHADHO CO[C@H](CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CCCC1 ZINC001167426127 1014259250 /nfs/dbraw/zinc/25/92/50/1014259250.db2.gz UWYJWEOTGSRIOI-NLWGTHIKSA-N 1 3 322.537 3.778 20 0 DHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ccc(F)nc1 ZINC000931271017 1032088758 /nfs/dbraw/zinc/08/87/58/1032088758.db2.gz BBRPWZLXRFWJME-HNNXBMFYSA-N 1 3 315.436 3.865 20 0 DHADHO CO[C@H](CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CCCC1 ZINC001167426126 1014260234 /nfs/dbraw/zinc/26/02/34/1014260234.db2.gz UWYJWEOTGSRIOI-CMKODMSKSA-N 1 3 322.537 3.778 20 0 DHADHO CO[C@H](CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CCCC1 ZINC001167426126 1014260241 /nfs/dbraw/zinc/26/02/41/1014260241.db2.gz UWYJWEOTGSRIOI-CMKODMSKSA-N 1 3 322.537 3.778 20 0 DHADHO N[C@@H]1C[C@@H]([NH2+]CCc2nsc3ccccc32)c2ccccc21 ZINC000665276163 1014640242 /nfs/dbraw/zinc/64/02/42/1014640242.db2.gz ZLDYOFFPEDRVQQ-NVXWUHKLSA-N 1 3 309.438 3.573 20 0 DHADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000665281107 1014667292 /nfs/dbraw/zinc/66/72/92/1014667292.db2.gz UTHARJYPYSBJQS-SWLSCSKDSA-N 1 3 318.383 3.652 20 0 DHADHO [NH3+]CC[C@H]1CCCN(Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000442933030 1014772312 /nfs/dbraw/zinc/77/23/12/1014772312.db2.gz ZJLBKXVIGKLSTI-OAHLLOKOSA-N 1 3 321.896 3.501 20 0 DHADHO CO[C@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(C)C ZINC000449172101 1014818724 /nfs/dbraw/zinc/81/87/24/1014818724.db2.gz JKFBYQUFUBGLLR-QGZVFWFLSA-N 1 3 312.542 3.926 20 0 DHADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000631057629 1014960776 /nfs/dbraw/zinc/96/07/76/1014960776.db2.gz YVIQUIJHORLNBW-INIZCTEOSA-N 1 3 314.395 3.613 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000166355257 1014973848 /nfs/dbraw/zinc/97/38/48/1014973848.db2.gz HXMLTLQNOPCATC-GUXCAODWSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000166355257 1014973854 /nfs/dbraw/zinc/97/38/54/1014973854.db2.gz HXMLTLQNOPCATC-GUXCAODWSA-N 1 3 309.457 3.882 20 0 DHADHO COc1ccc2cc(C[N@@H+]3CCC[C@@H]4CN(C)CC[C@H]43)ccc2c1 ZINC000581575551 1015006010 /nfs/dbraw/zinc/00/60/10/1015006010.db2.gz VJEUKIGCHYZTCQ-TZIWHRDSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(C[N@H+]3CCC[C@@H]4CN(C)CC[C@H]43)ccc2c1 ZINC000581575551 1015006021 /nfs/dbraw/zinc/00/60/21/1015006021.db2.gz VJEUKIGCHYZTCQ-TZIWHRDSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(C[N@@H+]3CCC[C@H]4CN(C)CC[C@H]43)ccc2c1 ZINC000581575550 1015007123 /nfs/dbraw/zinc/00/71/23/1015007123.db2.gz VJEUKIGCHYZTCQ-PZJWPPBQSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(C[N@H+]3CCC[C@H]4CN(C)CC[C@H]43)ccc2c1 ZINC000581575550 1015007136 /nfs/dbraw/zinc/00/71/36/1015007136.db2.gz VJEUKIGCHYZTCQ-PZJWPPBQSA-N 1 3 324.468 3.765 20 0 DHADHO FC(F)Oc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000051554522 1015073380 /nfs/dbraw/zinc/07/33/80/1015073380.db2.gz YPDCSPFAUQVGEJ-UHFFFAOYSA-N 1 3 324.415 3.596 20 0 DHADHO NC[C@H]1CCC[C@H]1[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000033829381 1015153449 /nfs/dbraw/zinc/15/34/49/1015153449.db2.gz KGINNJCVISGZNG-TZIWHRDSSA-N 1 3 308.469 3.926 20 0 DHADHO CC(C)(C)c1ncc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656785112 1015158997 /nfs/dbraw/zinc/15/89/97/1015158997.db2.gz ITKUOSIKDFZIJR-HNNXBMFYSA-N 1 3 321.534 3.652 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1(Cl)CC1 ZINC000925136056 1015731741 /nfs/dbraw/zinc/73/17/41/1015731741.db2.gz MPFZAYAVZXHFSA-KCQAQPDRSA-N 1 3 312.910 3.881 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1(Cl)CC1 ZINC000925136056 1015731747 /nfs/dbraw/zinc/73/17/47/1015731747.db2.gz MPFZAYAVZXHFSA-KCQAQPDRSA-N 1 3 312.910 3.881 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000582421352 1016732829 /nfs/dbraw/zinc/73/28/29/1016732829.db2.gz ZHGYLBVPXFHFKV-TUKIKUTGSA-N 1 3 315.383 3.620 20 0 DHADHO c1nc(C2CCCC2)sc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347131340 1016750429 /nfs/dbraw/zinc/75/04/29/1016750429.db2.gz QQRZKYZWMHIVCQ-KRWDZBQOSA-N 1 3 319.518 3.765 20 0 DHADHO C[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C(C)(C)C ZINC000670266915 1016959056 /nfs/dbraw/zinc/95/90/56/1016959056.db2.gz HDTNDRPNXRTNLB-HKUYNNGSSA-N 1 3 302.506 3.823 20 0 DHADHO Cc1cccc(C)c1OC[C@H](C)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623374779 1017007975 /nfs/dbraw/zinc/00/79/75/1017007975.db2.gz OQGPPTVNSPRZBH-DLBZAZTESA-N 1 3 304.478 3.533 20 0 DHADHO Cc1cccc(C)c1OC[C@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623374779 1017007981 /nfs/dbraw/zinc/00/79/81/1017007981.db2.gz OQGPPTVNSPRZBH-DLBZAZTESA-N 1 3 304.478 3.533 20 0 DHADHO C[C@@H]1C[N@@H+](C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001168057794 1017044282 /nfs/dbraw/zinc/04/42/82/1017044282.db2.gz NTXYTSLHTUMTAA-WNRNVDISSA-N 1 3 316.489 3.537 20 0 DHADHO C[C@@H]1C[N@H+](C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001168057794 1017044291 /nfs/dbraw/zinc/04/42/91/1017044291.db2.gz NTXYTSLHTUMTAA-WNRNVDISSA-N 1 3 316.489 3.537 20 0 DHADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001168057792 1017045770 /nfs/dbraw/zinc/04/57/70/1017045770.db2.gz NTXYTSLHTUMTAA-VBRUWADQSA-N 1 3 316.489 3.537 20 0 DHADHO C[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001168057792 1017045782 /nfs/dbraw/zinc/04/57/82/1017045782.db2.gz NTXYTSLHTUMTAA-VBRUWADQSA-N 1 3 316.489 3.537 20 0 DHADHO C[C@@H]1C[N@@H+](C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)[C@@H](C)CO1 ZINC001168057800 1017046706 /nfs/dbraw/zinc/04/67/06/1017046706.db2.gz NTXYTSLHTUMTAA-ZJPYXAASSA-N 1 3 316.489 3.537 20 0 DHADHO C[C@@H]1C[N@H+](C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)[C@@H](C)CO1 ZINC001168057800 1017046714 /nfs/dbraw/zinc/04/67/14/1017046714.db2.gz NTXYTSLHTUMTAA-ZJPYXAASSA-N 1 3 316.489 3.537 20 0 DHADHO CC[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1C ZINC000623440828 1017047801 /nfs/dbraw/zinc/04/78/01/1017047801.db2.gz MODUMLIHXMVZDG-IRXDYDNUSA-N 1 3 304.478 3.615 20 0 DHADHO CC[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccccc1C ZINC000623440828 1017047810 /nfs/dbraw/zinc/04/78/10/1017047810.db2.gz MODUMLIHXMVZDG-IRXDYDNUSA-N 1 3 304.478 3.615 20 0 DHADHO C[NH+](C)C1CCC(N2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001168324183 1032269295 /nfs/dbraw/zinc/26/92/95/1032269295.db2.gz JBWOHMSLKCUNTB-DAWZGUTISA-N 1 3 322.493 3.788 20 0 DHADHO CCC[C@H](C(=O)c1ccccc1)N(C)C1CCC([NH+](C)C)CC1 ZINC001168331138 1032319708 /nfs/dbraw/zinc/31/97/08/1032319708.db2.gz ZVNUXRKYBQXPDI-CTWPCTMYSA-N 1 3 316.489 3.843 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cccn2CCC(C)C)[C@H](C)C1 ZINC000537635198 1032423452 /nfs/dbraw/zinc/42/34/52/1032423452.db2.gz VZEFPESKIBOPLY-MJGOQNOKSA-N 1 3 305.510 3.696 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cccn2CCC(C)C)[C@H](C)C1 ZINC000537635198 1032423459 /nfs/dbraw/zinc/42/34/59/1032423459.db2.gz VZEFPESKIBOPLY-MJGOQNOKSA-N 1 3 305.510 3.696 20 0 DHADHO FC(F)C1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000475216900 1017087467 /nfs/dbraw/zinc/08/74/67/1017087467.db2.gz VABBEHPNMQXDNX-YESZJQIVSA-N 1 3 320.427 3.532 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(-c4ccccn4)c3)CC[C@@H]21 ZINC000092043454 1032471783 /nfs/dbraw/zinc/47/17/83/1032471783.db2.gz VOWSEDKWVPMIGC-CTNGQTDRSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc(-c4ccccn4)c3)CC[C@@H]21 ZINC000092043454 1032471789 /nfs/dbraw/zinc/47/17/89/1032471789.db2.gz VOWSEDKWVPMIGC-CTNGQTDRSA-N 1 3 321.468 3.665 20 0 DHADHO Cc1ccc2c(c1)[C@@H](NCc1ccccc1OCC[NH+](C)C)CC2 ZINC000122369289 1032533431 /nfs/dbraw/zinc/53/34/31/1032533431.db2.gz UABAMWGBDFJSTM-FQEVSTJZSA-N 1 3 324.468 3.713 20 0 DHADHO CO[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000773081535 1032553524 /nfs/dbraw/zinc/55/35/24/1032553524.db2.gz CXSZTTHXWPSVQZ-RTBURBONSA-N 1 3 308.510 3.578 20 0 DHADHO CSc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000579711788 1011960394 /nfs/dbraw/zinc/96/03/94/1011960394.db2.gz HCURBVHKMQLRDY-LIRRHRJNSA-N 1 3 316.514 3.860 20 0 DHADHO CSc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000579711788 1011960402 /nfs/dbraw/zinc/96/04/02/1011960402.db2.gz HCURBVHKMQLRDY-LIRRHRJNSA-N 1 3 316.514 3.860 20 0 DHADHO CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1OC ZINC000424373183 1012012291 /nfs/dbraw/zinc/01/22/91/1012012291.db2.gz JBDCAZWKYLIZRF-USXIJHARSA-N 1 3 320.477 3.795 20 0 DHADHO CCOc1c(Cl)cccc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424381587 1012017174 /nfs/dbraw/zinc/01/71/74/1012017174.db2.gz RCPROUIIFSRLAC-CQSZACIVSA-N 1 3 322.880 3.703 20 0 DHADHO c1c(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000515232815 1012582561 /nfs/dbraw/zinc/58/25/61/1012582561.db2.gz YYKWJWPXFGUAQT-YESZJQIVSA-N 1 3 304.503 3.637 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894317972 1012753799 /nfs/dbraw/zinc/75/37/99/1012753799.db2.gz XPXJSUBLKUIUDQ-QWHCGFSZSA-N 1 3 323.893 3.912 20 0 DHADHO FC(F)(F)CCC[N@@H+]1CCC[C@]2(CCCN(C3CC3)C2)C1 ZINC001280178330 1012810018 /nfs/dbraw/zinc/81/00/18/1012810018.db2.gz XPZAQIBMMBNDBW-HNNXBMFYSA-N 1 3 304.400 3.669 20 0 DHADHO FC(F)(F)CCC[N@H+]1CCC[C@]2(CCCN(C3CC3)C2)C1 ZINC001280178330 1012810037 /nfs/dbraw/zinc/81/00/37/1012810037.db2.gz XPZAQIBMMBNDBW-HNNXBMFYSA-N 1 3 304.400 3.669 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000517168224 1012923597 /nfs/dbraw/zinc/92/35/97/1012923597.db2.gz UVWYJXUKTHLQDI-CRAIPNDOSA-N 1 3 310.441 3.674 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCCCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857902874 1032709795 /nfs/dbraw/zinc/70/97/95/1032709795.db2.gz WOXQMZIAYDLASL-GOEBONIOSA-N 1 3 321.896 3.967 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCCCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857902874 1032709806 /nfs/dbraw/zinc/70/98/06/1032709806.db2.gz WOXQMZIAYDLASL-GOEBONIOSA-N 1 3 321.896 3.967 20 0 DHADHO Cc1csc([C@H](C)NCC2CC[NH+](CCC(C)C)CC2)n1 ZINC000623903358 1017574013 /nfs/dbraw/zinc/57/40/13/1017574013.db2.gz DDJPIAWNLYKIIT-HNNXBMFYSA-N 1 3 309.523 3.860 20 0 DHADHO COc1ccccc1[C@@H]1CCC[N@@H+]1CCCN1CCCCC1 ZINC000444589692 1017580628 /nfs/dbraw/zinc/58/06/28/1017580628.db2.gz KEBWEDXDDUPGHF-SFHVURJKSA-N 1 3 302.462 3.708 20 0 DHADHO COc1ccccc1[C@@H]1CCC[N@H+]1CCCN1CCCCC1 ZINC000444589692 1017580638 /nfs/dbraw/zinc/58/06/38/1017580638.db2.gz KEBWEDXDDUPGHF-SFHVURJKSA-N 1 3 302.462 3.708 20 0 DHADHO C[C@H]1CCCC[C@H]1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613847 1017584922 /nfs/dbraw/zinc/58/49/22/1017584922.db2.gz TYVYUHNXFNOKTN-PXNSSMCTSA-N 1 3 315.505 3.710 20 0 DHADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123456 1017694448 /nfs/dbraw/zinc/69/44/48/1017694448.db2.gz MGMPTXLGMWSGEF-DNVCBOLYSA-N 1 3 316.489 3.739 20 0 DHADHO COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCCCN(C)C3)oc21 ZINC000624122061 1017694888 /nfs/dbraw/zinc/69/48/88/1017694888.db2.gz IXYMSWZUOALDIU-GJZGRUSLSA-N 1 3 316.445 3.824 20 0 DHADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)CCS2 ZINC000624123359 1017695899 /nfs/dbraw/zinc/69/58/99/1017695899.db2.gz KPYFYTOWDHVUCA-PBHICJAKSA-N 1 3 320.502 3.554 20 0 DHADHO CC[C@H](CSc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090778425 1017816097 /nfs/dbraw/zinc/81/60/97/1017816097.db2.gz PZPFEPQQVZHDIR-BRWVUGGUSA-N 1 3 304.503 3.774 20 0 DHADHO CC[C@H](CSc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090778425 1017816109 /nfs/dbraw/zinc/81/61/09/1017816109.db2.gz PZPFEPQQVZHDIR-BRWVUGGUSA-N 1 3 304.503 3.774 20 0 DHADHO Cc1cccc([C@H](N[C@H](C)C2CC[NH+](C)CC2)c2ccccn2)c1 ZINC000090946761 1017834223 /nfs/dbraw/zinc/83/42/23/1017834223.db2.gz PTBGDBKWDHCCCD-UTKZUKDTSA-N 1 3 323.484 3.799 20 0 DHADHO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183365001 1018014775 /nfs/dbraw/zinc/01/47/75/1018014775.db2.gz MNLQZMNNQDPVRI-FUHWJXTLSA-N 1 3 306.469 3.811 20 0 DHADHO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183365001 1018014781 /nfs/dbraw/zinc/01/47/81/1018014781.db2.gz MNLQZMNNQDPVRI-FUHWJXTLSA-N 1 3 306.469 3.811 20 0 DHADHO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183364979 1018015891 /nfs/dbraw/zinc/01/58/91/1018015891.db2.gz MNLQZMNNQDPVRI-WMZOPIPTSA-N 1 3 306.469 3.811 20 0 DHADHO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183364979 1018015905 /nfs/dbraw/zinc/01/59/05/1018015905.db2.gz MNLQZMNNQDPVRI-WMZOPIPTSA-N 1 3 306.469 3.811 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ccn(C)c2)cc1 ZINC000123272145 1018057037 /nfs/dbraw/zinc/05/70/37/1018057037.db2.gz GJVWDQFEUSWQNI-QGZVFWFLSA-N 1 3 311.473 3.689 20 0 DHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccn(C)c2)cc1 ZINC000123272145 1018057051 /nfs/dbraw/zinc/05/70/51/1018057051.db2.gz GJVWDQFEUSWQNI-QGZVFWFLSA-N 1 3 311.473 3.689 20 0 DHADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000658161732 1018181761 /nfs/dbraw/zinc/18/17/61/1018181761.db2.gz AEZFGQTUHKQSAZ-MBOZVWFJSA-N 1 3 315.505 3.708 20 0 DHADHO CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000446759529 1018246440 /nfs/dbraw/zinc/24/64/40/1018246440.db2.gz GKEXWDOCBKEWHR-QUCCMNQESA-N 1 3 318.505 3.549 20 0 DHADHO C[C@H](CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1)c1ccccc1 ZINC000447726536 1018460852 /nfs/dbraw/zinc/46/08/52/1018460852.db2.gz HDBRFHBRJLYTND-MOPGFXCFSA-N 1 3 300.490 3.988 20 0 DHADHO C[C@H](CC[N@H+]1CC[C@@H](CN2CCCCC2)C1)c1ccccc1 ZINC000447726536 1018460855 /nfs/dbraw/zinc/46/08/55/1018460855.db2.gz HDBRFHBRJLYTND-MOPGFXCFSA-N 1 3 300.490 3.988 20 0 DHADHO C[C@H](CCN1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000447726536 1018460860 /nfs/dbraw/zinc/46/08/60/1018460860.db2.gz HDBRFHBRJLYTND-MOPGFXCFSA-N 1 3 300.490 3.988 20 0 DHADHO FC(F)(F)c1ccccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261837118 1018461470 /nfs/dbraw/zinc/46/14/70/1018461470.db2.gz CCAZRJBRRLNRBT-INIZCTEOSA-N 1 3 312.379 3.669 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000447811145 1018480734 /nfs/dbraw/zinc/48/07/34/1018480734.db2.gz CWPVSJIPJJKBTE-SJORKVTESA-N 1 3 310.844 3.628 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000447811145 1018480739 /nfs/dbraw/zinc/48/07/39/1018480739.db2.gz CWPVSJIPJJKBTE-SJORKVTESA-N 1 3 310.844 3.628 20 0 DHADHO C/C(=C\c1ccccc1OC(F)F)CN[C@H](C)CC[NH+](C)C ZINC000564415338 1018535607 /nfs/dbraw/zinc/53/56/07/1018535607.db2.gz NLIWUKAPFZFAOQ-YPDDLIOESA-N 1 3 312.404 3.621 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000675897591 1018620614 /nfs/dbraw/zinc/62/06/14/1018620614.db2.gz GRJKWRMDNORXBH-CRAIPNDOSA-N 1 3 322.880 3.525 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000675897591 1018620621 /nfs/dbraw/zinc/62/06/21/1018620621.db2.gz GRJKWRMDNORXBH-CRAIPNDOSA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000675897591 1018620624 /nfs/dbraw/zinc/62/06/24/1018620624.db2.gz GRJKWRMDNORXBH-CRAIPNDOSA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000675897591 1018620634 /nfs/dbraw/zinc/62/06/34/1018620634.db2.gz GRJKWRMDNORXBH-CRAIPNDOSA-N 1 3 322.880 3.525 20 0 DHADHO Cc1cccc2c1CC[C@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001171556059 1032776480 /nfs/dbraw/zinc/77/64/80/1032776480.db2.gz AEYNZKUVLOCPFM-IBGZPJMESA-N 1 3 312.501 3.849 20 0 DHADHO CCC[C@H](NC[C@H]1CC[N@H+](CCC)C1)c1ccc(OC)cc1 ZINC000151100741 1018629569 /nfs/dbraw/zinc/62/95/69/1018629569.db2.gz JEOYTVJKLXKBRN-APWZRJJASA-N 1 3 304.478 3.858 20 0 DHADHO CCC[C@H](NC[C@H]1CC[N@@H+](CCC)C1)c1ccc(OC)cc1 ZINC000151100741 1018629586 /nfs/dbraw/zinc/62/95/86/1018629586.db2.gz JEOYTVJKLXKBRN-APWZRJJASA-N 1 3 304.478 3.858 20 0 DHADHO C[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccncc1 ZINC000675928376 1018633822 /nfs/dbraw/zinc/63/38/22/1018633822.db2.gz SNESPPGOZJUKQR-HLIPFELVSA-N 1 3 315.505 3.818 20 0 DHADHO C[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)c1ccncc1 ZINC000675929338 1018636215 /nfs/dbraw/zinc/63/62/15/1018636215.db2.gz ZOFZIXGNPCOFTO-INIZCTEOSA-N 1 3 301.478 3.572 20 0 DHADHO C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccncc1 ZINC000675929338 1018636222 /nfs/dbraw/zinc/63/62/22/1018636222.db2.gz ZOFZIXGNPCOFTO-INIZCTEOSA-N 1 3 301.478 3.572 20 0 DHADHO C[N@@H+]1CCC[C@H](CNCc2ccc(O)cc2)[C@H]1c1ccccc1 ZINC000671497268 1018757750 /nfs/dbraw/zinc/75/77/50/1018757750.db2.gz HDJSWYIQLXYTPG-UYAOXDASSA-N 1 3 310.441 3.565 20 0 DHADHO C[N@H+]1CCC[C@H](CNCc2ccc(O)cc2)[C@H]1c1ccccc1 ZINC000671497268 1018757764 /nfs/dbraw/zinc/75/77/64/1018757764.db2.gz HDJSWYIQLXYTPG-UYAOXDASSA-N 1 3 310.441 3.565 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C[C@@H](C)O1 ZINC000765404340 1018777730 /nfs/dbraw/zinc/77/77/30/1018777730.db2.gz DCQFRAVJBDFWGH-SWBPCFCJSA-N 1 3 322.537 3.824 20 0 DHADHO Fc1cccc(Cl)c1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657811355 1018780523 /nfs/dbraw/zinc/78/05/23/1018780523.db2.gz ADVBEEZFTHLFNS-UHFFFAOYSA-N 1 3 310.844 3.691 20 0 DHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccccc2)CC1 ZINC000151314602 1018807602 /nfs/dbraw/zinc/80/76/02/1018807602.db2.gz SPVAJQROURLTNI-UHFFFAOYSA-N 1 3 323.484 3.508 20 0 DHADHO CCC[NH+]1CCC(N[C@H](C)c2cc3ccncc3s2)CC1 ZINC000657823064 1018906291 /nfs/dbraw/zinc/90/62/91/1018906291.db2.gz HVXNOKOOPMXTCK-CYBMUJFWSA-N 1 3 303.475 3.821 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@@H]2Cc3ccc(F)cc3C2)CC1(C)C ZINC001171629690 1032795723 /nfs/dbraw/zinc/79/57/23/1032795723.db2.gz CEEPCPLRZQHZHZ-MRXNPFEDSA-N 1 3 304.453 3.534 20 0 DHADHO CN(C)[C@H](CNC1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccc1 ZINC001171619289 1032801190 /nfs/dbraw/zinc/80/11/90/1032801190.db2.gz IKFOWWMLBUZJBP-GOSISDBHSA-N 1 3 317.521 3.530 20 0 DHADHO C[NH+]1C(C)(C)CC(N[C@H]2C[C@H]2c2ccc(F)cc2)CC1(C)C ZINC001171624529 1032806181 /nfs/dbraw/zinc/80/61/81/1032806181.db2.gz VGFCVKWHXDJUEU-IRXDYDNUSA-N 1 3 304.453 3.923 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@H]2C[C@H]2c2ccc(F)cc2)CC1(C)C ZINC001171624529 1032806194 /nfs/dbraw/zinc/80/61/94/1032806194.db2.gz VGFCVKWHXDJUEU-IRXDYDNUSA-N 1 3 304.453 3.923 20 0 DHADHO C[NH+]1C(C)(C)CC(NCCc2ccc(F)cc2F)CC1(C)C ZINC001171625284 1032806879 /nfs/dbraw/zinc/80/68/79/1032806879.db2.gz FXWNIKPKWCEDHJ-UHFFFAOYSA-N 1 3 310.432 3.748 20 0 DHADHO CN1C(C)(C)CC([NH2+]CCCOc2cccc(F)c2)CC1(C)C ZINC001171625479 1032808727 /nfs/dbraw/zinc/80/87/27/1032808727.db2.gz JKQPZQMJPXOMBO-UHFFFAOYSA-N 1 3 322.468 3.836 20 0 DHADHO Cc1ccc(C2(CNC3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)nc1 ZINC001171627005 1032809275 /nfs/dbraw/zinc/80/92/75/1032809275.db2.gz IPQNCCJVHLPDPG-UHFFFAOYSA-N 1 3 315.505 3.663 20 0 DHADHO Cc1nc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)sc1C(C)(C)C ZINC000923361527 1019155165 /nfs/dbraw/zinc/15/51/65/1019155165.db2.gz FVYOOFXXAMYAIJ-GJZGRUSLSA-N 1 3 321.534 3.571 20 0 DHADHO COc1cccc2c1CCC[C@H]2[NH2+]C1CCN(CC(C)C)CC1 ZINC000194843833 1019352114 /nfs/dbraw/zinc/35/21/14/1019352114.db2.gz BWTJYCKFZPDDAJ-LJQANCHMSA-N 1 3 316.489 3.783 20 0 DHADHO C[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(F)cn1 ZINC000090775366 1019417049 /nfs/dbraw/zinc/41/70/49/1019417049.db2.gz ZGZHAFSSDNGVFC-FAEJEUNOSA-N 1 3 319.468 3.914 20 0 DHADHO COCCC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(F)cc1 ZINC000282218196 1019679675 /nfs/dbraw/zinc/67/96/75/1019679675.db2.gz HUMJILOOSCFWMW-OTWHNJEPSA-N 1 3 322.468 3.756 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C/C=C\c1ccc(Cl)cc1)C2 ZINC000671724837 1019778818 /nfs/dbraw/zinc/77/88/18/1019778818.db2.gz AGCCRTVKOFDVNB-HODHHHKJSA-N 1 3 304.865 3.910 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C/C=C\c1ccc(Cl)cc1)C2 ZINC000671724837 1019778837 /nfs/dbraw/zinc/77/88/37/1019778837.db2.gz AGCCRTVKOFDVNB-HODHHHKJSA-N 1 3 304.865 3.910 20 0 DHADHO C[NH+]1CCC2(CCCN2C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000685428668 1019815351 /nfs/dbraw/zinc/81/53/51/1019815351.db2.gz OIXYEOHZCFMLIB-RQOWECAXSA-N 1 3 306.400 3.538 20 0 DHADHO c1nc2c(s1)CCC[C@H]2NC1CCC([NH+]2CCCCC2)CC1 ZINC000858369058 1032864106 /nfs/dbraw/zinc/86/41/06/1032864106.db2.gz FYEQXUNUWMGQPG-UYSNPLJNSA-N 1 3 319.518 3.907 20 0 DHADHO CC[C@H](COCC1CC1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000658091010 1020134550 /nfs/dbraw/zinc/13/45/50/1020134550.db2.gz OGQFKLZZHITHHG-YVWKXTFCSA-N 1 3 322.537 3.824 20 0 DHADHO Cc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000658167894 1020199667 /nfs/dbraw/zinc/19/96/67/1020199667.db2.gz QWXUZQOCLCRILE-INIZCTEOSA-N 1 3 313.445 3.546 20 0 DHADHO C[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H]1C ZINC000658168831 1020200957 /nfs/dbraw/zinc/20/09/57/1020200957.db2.gz ZJSBOXXDKQYANZ-UWVAXJGDSA-N 1 3 315.505 3.708 20 0 DHADHO c1ccc2c(c1)[nH]c1c2C[C@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000658229051 1020237367 /nfs/dbraw/zinc/23/73/67/1020237367.db2.gz OKNQWPHMMQDUMQ-HOTGVXAUSA-N 1 3 323.484 3.632 20 0 DHADHO c1ccc2c(c1)[nH]c1c2C[C@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000658229051 1020237377 /nfs/dbraw/zinc/23/73/77/1020237377.db2.gz OKNQWPHMMQDUMQ-HOTGVXAUSA-N 1 3 323.484 3.632 20 0 DHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCc2ccco2)CC1 ZINC000658326097 1020303509 /nfs/dbraw/zinc/30/35/09/1020303509.db2.gz BHNUGVLCTNZJHU-QFBILLFUSA-N 1 3 304.478 3.845 20 0 DHADHO Fc1cccc2c1C[C@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001171801259 1032891687 /nfs/dbraw/zinc/89/16/87/1032891687.db2.gz KLVOOMVIVOEGDC-ZWKOTPCHSA-N 1 3 316.464 3.633 20 0 DHADHO Fc1cccc2c1C[C@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001171801259 1032891696 /nfs/dbraw/zinc/89/16/96/1032891696.db2.gz KLVOOMVIVOEGDC-ZWKOTPCHSA-N 1 3 316.464 3.633 20 0 DHADHO CCCCN1CCC([N@H+](C)Cc2cc(C)cc(OC)c2)CC1 ZINC001143163815 1020401771 /nfs/dbraw/zinc/40/17/71/1020401771.db2.gz MPLZGLHNZMFHTK-UHFFFAOYSA-N 1 3 304.478 3.700 20 0 DHADHO CCCCN1CCC([N@@H+](C)Cc2cc(C)cc(OC)c2)CC1 ZINC001143163815 1020401775 /nfs/dbraw/zinc/40/17/75/1020401775.db2.gz MPLZGLHNZMFHTK-UHFFFAOYSA-N 1 3 304.478 3.700 20 0 DHADHO C[C@@H](CCNCc1[nH]nc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000673811361 1020501270 /nfs/dbraw/zinc/50/12/70/1020501270.db2.gz KXXCTSAZYWOQKJ-INIZCTEOSA-N 1 3 322.456 3.563 20 0 DHADHO C[C@@H](CCNCc1[nH]nc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000673811361 1020501279 /nfs/dbraw/zinc/50/12/79/1020501279.db2.gz KXXCTSAZYWOQKJ-INIZCTEOSA-N 1 3 322.456 3.563 20 0 DHADHO CCSCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000612879918 1020737995 /nfs/dbraw/zinc/73/79/95/1020737995.db2.gz BRFZYENWKRQPIC-IPMKNSEASA-N 1 3 318.530 3.630 20 0 DHADHO CC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2C)CC[C@@H]1[NH3+] ZINC000647497553 1020771033 /nfs/dbraw/zinc/77/10/33/1020771033.db2.gz MAUWFWKVTLLGPD-WFASDCNBSA-N 1 3 300.368 3.573 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c(C)c1 ZINC000414075333 1020849869 /nfs/dbraw/zinc/84/98/69/1020849869.db2.gz HCOFYZWMBHQIPW-HNNXBMFYSA-N 1 3 304.478 3.917 20 0 DHADHO Fc1cccc(F)c1C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000414237902 1021023296 /nfs/dbraw/zinc/02/32/96/1021023296.db2.gz LVHKFSYSVYGEIF-GJZGRUSLSA-N 1 3 320.427 3.603 20 0 DHADHO Fc1cccc(F)c1C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000414237902 1021023300 /nfs/dbraw/zinc/02/33/00/1021023300.db2.gz LVHKFSYSVYGEIF-GJZGRUSLSA-N 1 3 320.427 3.603 20 0 DHADHO CO[C@@](C)([C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000414240582 1021024566 /nfs/dbraw/zinc/02/45/66/1021024566.db2.gz NNSCCXOROXWHFJ-FEHORTKBSA-N 1 3 322.537 3.823 20 0 DHADHO COC1([C@H](C)NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000414308957 1021080624 /nfs/dbraw/zinc/08/06/24/1021080624.db2.gz QWZVHUWJSRRCOU-RYRKJORJSA-N 1 3 308.510 3.577 20 0 DHADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(O)c(F)c2)c1 ZINC000892612399 1021089821 /nfs/dbraw/zinc/08/98/21/1021089821.db2.gz IIVUWLSTLXLGGS-UHFFFAOYSA-N 1 3 316.420 3.663 20 0 DHADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000423369565 1021188201 /nfs/dbraw/zinc/18/82/01/1021188201.db2.gz FDTWQUIKYWXKLR-KFWWJZLASA-N 1 3 311.267 3.760 20 0 DHADHO c1ccc(-c2ccccc2C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000917394599 1021249234 /nfs/dbraw/zinc/24/92/34/1021249234.db2.gz ICAXVJZZFKIEJX-KRWDZBQOSA-N 1 3 306.453 3.928 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](c2ccccc2OC)C2CCCC2)C1 ZINC000091287721 1021274954 /nfs/dbraw/zinc/27/49/54/1021274954.db2.gz TUDPTCQHFUINLN-OXQOHEQNSA-N 1 3 316.489 3.858 20 0 DHADHO COc1ccc([C@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)C2CC2)cc1 ZINC000091333246 1021276057 /nfs/dbraw/zinc/27/60/57/1021276057.db2.gz VFQUQQIYLCKUHH-OXQOHEQNSA-N 1 3 316.489 3.856 20 0 DHADHO COc1ccc([C@H](NC[C@H]2CCC[N@H+](C(C)C)C2)C2CC2)cc1 ZINC000091333246 1021276080 /nfs/dbraw/zinc/27/60/80/1021276080.db2.gz VFQUQQIYLCKUHH-OXQOHEQNSA-N 1 3 316.489 3.856 20 0 DHADHO COc1ccc([C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C2CC2)cc1 ZINC000091333246 1021276088 /nfs/dbraw/zinc/27/60/88/1021276088.db2.gz VFQUQQIYLCKUHH-OXQOHEQNSA-N 1 3 316.489 3.856 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccccc1C(F)(F)F)C2 ZINC001172101121 1032982494 /nfs/dbraw/zinc/98/24/94/1032982494.db2.gz WOFLBAUYKRHOET-QKDCVEJESA-N 1 3 312.379 3.810 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccccc1C(F)(F)F)C2 ZINC001172101121 1032982505 /nfs/dbraw/zinc/98/25/05/1032982505.db2.gz WOFLBAUYKRHOET-QKDCVEJESA-N 1 3 312.379 3.810 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)C2 ZINC001172101121 1032982516 /nfs/dbraw/zinc/98/25/16/1032982516.db2.gz WOFLBAUYKRHOET-QKDCVEJESA-N 1 3 312.379 3.810 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(COc2ccccc2)c1 ZINC000129529725 1021505993 /nfs/dbraw/zinc/50/59/93/1021505993.db2.gz DSQBWVWIFWPHMC-UWJYYQICSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(COc2ccccc2)c1 ZINC000129529725 1021505995 /nfs/dbraw/zinc/50/59/95/1021505995.db2.gz DSQBWVWIFWPHMC-UWJYYQICSA-N 1 3 324.468 3.695 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058516 1021507783 /nfs/dbraw/zinc/50/77/83/1021507783.db2.gz LCYIBQGVERYOFG-GJZGRUSLSA-N 1 3 300.421 3.971 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058516 1021507793 /nfs/dbraw/zinc/50/77/93/1021507793.db2.gz LCYIBQGVERYOFG-GJZGRUSLSA-N 1 3 300.421 3.971 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058516 1021507798 /nfs/dbraw/zinc/50/77/98/1021507798.db2.gz LCYIBQGVERYOFG-GJZGRUSLSA-N 1 3 300.421 3.971 20 0 DHADHO Cc1ccc(CC[NH2+]C2CCN(C3CCCC3)CC2)cc1C ZINC000850522637 1021574446 /nfs/dbraw/zinc/57/44/46/1021574446.db2.gz JKKWCOPDOBAHIR-UHFFFAOYSA-N 1 3 300.490 3.843 20 0 DHADHO FCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172069781 1032995652 /nfs/dbraw/zinc/99/56/52/1032995652.db2.gz XFRVDYYFIFYBAK-BCDXTJNWSA-N 1 3 302.437 3.664 20 0 DHADHO CC(C)CN1CCC([NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000093942097 1021700952 /nfs/dbraw/zinc/70/09/52/1021700952.db2.gz TZMYHMDADXHRFE-MRXNPFEDSA-N 1 3 303.494 3.524 20 0 DHADHO CSC1(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC000556475446 1021730239 /nfs/dbraw/zinc/73/02/39/1021730239.db2.gz VPEUWEHZYZEFRR-IRXDYDNUSA-N 1 3 310.551 3.859 20 0 DHADHO CSC1(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC000556475446 1021730246 /nfs/dbraw/zinc/73/02/46/1021730246.db2.gz VPEUWEHZYZEFRR-IRXDYDNUSA-N 1 3 310.551 3.859 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](c1cccc(F)c1)C1CC1)C2 ZINC001172110693 1033010161 /nfs/dbraw/zinc/01/01/61/1033010161.db2.gz LTVRKFVASIMOMZ-OKYOBFRVSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](c1cccc(F)c1)C1CC1)C2 ZINC001172110693 1033010173 /nfs/dbraw/zinc/01/01/73/1033010173.db2.gz LTVRKFVASIMOMZ-OKYOBFRVSA-N 1 3 302.437 3.882 20 0 DHADHO CCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000556845867 1021891035 /nfs/dbraw/zinc/89/10/35/1021891035.db2.gz ZZTBMNPMQKZKRQ-JWTNVVGKSA-N 1 3 302.462 3.532 20 0 DHADHO CCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000556845867 1021891044 /nfs/dbraw/zinc/89/10/44/1021891044.db2.gz ZZTBMNPMQKZKRQ-JWTNVVGKSA-N 1 3 302.462 3.532 20 0 DHADHO Fc1ccc(CC[NH+]2CCC(NCc3ccccc3)CC2)cc1 ZINC000152953666 1021903684 /nfs/dbraw/zinc/90/36/84/1021903684.db2.gz WBLYMMFSPCIODA-UHFFFAOYSA-N 1 3 312.432 3.622 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000556872849 1021914584 /nfs/dbraw/zinc/91/45/84/1021914584.db2.gz RWYLFCXKGFEPBO-HOTGVXAUSA-N 1 3 324.459 3.996 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccccc1C(F)(F)F ZINC000538244212 1033015063 /nfs/dbraw/zinc/01/50/63/1033015063.db2.gz HZKUVROAVTWVHM-QWHCGFSZSA-N 1 3 300.368 3.840 20 0 DHADHO COc1c(F)cccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172115739 1033015625 /nfs/dbraw/zinc/01/56/25/1033015625.db2.gz ZTGWXKWXIYGOKU-TUVASFSCSA-N 1 3 306.425 3.500 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3ccc(Cl)cc3C1)C2 ZINC001172114713 1033018944 /nfs/dbraw/zinc/01/89/44/1033018944.db2.gz SLNIFVKXUFFVSN-PIIMJCKOSA-N 1 3 304.865 3.713 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3ccc(Cl)cc3C1)C2 ZINC001172114713 1033018954 /nfs/dbraw/zinc/01/89/54/1033018954.db2.gz SLNIFVKXUFFVSN-PIIMJCKOSA-N 1 3 304.865 3.713 20 0 DHADHO COc1ccc(C2(N[C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCC2)cc1 ZINC001172114002 1033019770 /nfs/dbraw/zinc/01/97/70/1033019770.db2.gz LJSCBBVTSFXRPK-BCDXTJNWSA-N 1 3 314.473 3.679 20 0 DHADHO COc1ccc(C2(N[C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCC2)cc1 ZINC001172114002 1033019789 /nfs/dbraw/zinc/01/97/89/1033019789.db2.gz LJSCBBVTSFXRPK-BCDXTJNWSA-N 1 3 314.473 3.679 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@H](C)SC)ccc1OC ZINC000183378128 1022122901 /nfs/dbraw/zinc/12/29/01/1022122901.db2.gz NMIUMGDAIJEOGD-LSDHHAIUSA-N 1 3 324.534 3.939 20 0 DHADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001169070309 1022241548 /nfs/dbraw/zinc/24/15/48/1022241548.db2.gz NDGSLPHVKKQXNU-HSALFYBXSA-N 1 3 300.490 3.527 20 0 DHADHO CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001169070309 1022241558 /nfs/dbraw/zinc/24/15/58/1022241558.db2.gz NDGSLPHVKKQXNU-HSALFYBXSA-N 1 3 300.490 3.527 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(OC(F)(F)F)c1 ZINC000181911488 1022250781 /nfs/dbraw/zinc/25/07/81/1022250781.db2.gz QCRSNWUGXZSUOH-JSGCOSHPSA-N 1 3 316.367 3.720 20 0 DHADHO CC(C)C[C@H](Cc1ccccc1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001169086823 1022254854 /nfs/dbraw/zinc/25/48/54/1022254854.db2.gz WOVSJMZOXNSQJM-LJQANCHMSA-N 1 3 300.490 3.671 20 0 DHADHO CCCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169089593 1022257101 /nfs/dbraw/zinc/25/71/01/1022257101.db2.gz DMBGGJVMXUOJEW-NNZMDNLPSA-N 1 3 302.462 3.580 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H](Sc3ccc(F)cc3)C1)C2 ZINC001169155764 1022286047 /nfs/dbraw/zinc/28/60/47/1022286047.db2.gz UMXBPBCPCNANRG-DFGXFYAUSA-N 1 3 320.477 3.617 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H](Sc3ccc(F)cc3)C1)C2 ZINC001169155764 1022286054 /nfs/dbraw/zinc/28/60/54/1022286054.db2.gz UMXBPBCPCNANRG-DFGXFYAUSA-N 1 3 320.477 3.617 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)CSC)ccc1OC ZINC000182995911 1022318595 /nfs/dbraw/zinc/31/85/95/1022318595.db2.gz BAAKSGHDKHDESE-CABCVRRESA-N 1 3 324.534 3.939 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)CSC)ccc1OC ZINC000182995872 1022318711 /nfs/dbraw/zinc/31/87/11/1022318711.db2.gz BAAKSGHDKHDESE-GJZGRUSLSA-N 1 3 324.534 3.939 20 0 DHADHO CO[C@@]1(C)C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000155129244 1022370174 /nfs/dbraw/zinc/37/01/74/1022370174.db2.gz RIDAVCMDSDGMKK-HKUYNNGSSA-N 1 3 308.510 3.577 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCc2nsc3ccccc32)[C@@H](C)C1 ZINC000660081534 1022442416 /nfs/dbraw/zinc/44/24/16/1022442416.db2.gz HOMIYHZIDKOPRB-WMLDXEAASA-N 1 3 317.502 3.501 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCc2nsc3ccccc32)[C@@H](C)C1 ZINC000660081534 1022442422 /nfs/dbraw/zinc/44/24/22/1022442422.db2.gz HOMIYHZIDKOPRB-WMLDXEAASA-N 1 3 317.502 3.501 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000156804835 1022495411 /nfs/dbraw/zinc/49/54/11/1022495411.db2.gz BKCSWRHDOKIQQG-HOTGVXAUSA-N 1 3 304.478 3.856 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccncc1 ZINC000272260278 1022497962 /nfs/dbraw/zinc/49/79/62/1022497962.db2.gz WZBWXLKWKZTKJM-ABSDTBQOSA-N 1 3 309.457 3.643 20 0 DHADHO Cc1csc(CCCC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)n1 ZINC000925567819 1022531046 /nfs/dbraw/zinc/53/10/46/1022531046.db2.gz QFECUYPFYGZOKX-DLBZAZTESA-N 1 3 321.534 3.532 20 0 DHADHO Cc1cc(Cl)cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1[O-] ZINC000179827038 1022553035 /nfs/dbraw/zinc/55/30/35/1022553035.db2.gz DTCSNFGLUUQYIK-UHFFFAOYSA-N 1 3 310.869 3.518 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(O)c1 ZINC000274865532 1022577044 /nfs/dbraw/zinc/57/70/44/1022577044.db2.gz DTDJXOCQCRQDKB-ABSDTBQOSA-N 1 3 324.468 3.953 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H](CC(C)C)c2cccs2)CC1 ZINC000159162782 1022696307 /nfs/dbraw/zinc/69/63/07/1022696307.db2.gz CDENRUMLPZDIQG-KRWDZBQOSA-N 1 3 324.534 3.926 20 0 DHADHO CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CCCCC1 ZINC000660256404 1022822225 /nfs/dbraw/zinc/82/22/25/1022822225.db2.gz LUKLUUMDBYMTSA-XKGZKEIXSA-N 1 3 322.537 3.824 20 0 DHADHO CO[C@H](CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CCCCC1 ZINC000660256404 1022822239 /nfs/dbraw/zinc/82/22/39/1022822239.db2.gz LUKLUUMDBYMTSA-XKGZKEIXSA-N 1 3 322.537 3.824 20 0 DHADHO CO[C@H](CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CCCCC1 ZINC000660256404 1022822250 /nfs/dbraw/zinc/82/22/50/1022822250.db2.gz LUKLUUMDBYMTSA-XKGZKEIXSA-N 1 3 322.537 3.824 20 0 DHADHO CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605375 1022836834 /nfs/dbraw/zinc/83/68/34/1022836834.db2.gz WJKFTOMZHIYWOG-APWZRJJASA-N 1 3 319.493 3.564 20 0 DHADHO CCC[C@@H](C)[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605375 1022836845 /nfs/dbraw/zinc/83/68/45/1022836845.db2.gz WJKFTOMZHIYWOG-APWZRJJASA-N 1 3 319.493 3.564 20 0 DHADHO CC[C@H](C)OCC[C@H](C)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172320132 1033084664 /nfs/dbraw/zinc/08/46/64/1033084664.db2.gz VIUHVZOHWFWTSR-LNLFQRSKSA-N 1 3 306.494 3.863 20 0 DHADHO CC(C)CCN1CCC([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000925642365 1022928693 /nfs/dbraw/zinc/92/86/93/1022928693.db2.gz GLDVQLHDTXTHDD-IBGZPJMESA-N 1 3 301.478 3.633 20 0 DHADHO CC[C@H](C)OCC[C@H](C)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172326845 1033089116 /nfs/dbraw/zinc/08/91/16/1033089116.db2.gz BJXHQQAHAIAOQJ-ROUUACIJSA-N 1 3 318.505 3.616 20 0 DHADHO FC1(F)CC(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000293798016 1022971890 /nfs/dbraw/zinc/97/18/90/1022971890.db2.gz UTZBCNSOKGBVEA-OKZBNKHCSA-N 1 3 320.427 3.532 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622043712 1023003647 /nfs/dbraw/zinc/00/36/47/1023003647.db2.gz IMMMMPBZFJDTDT-NEPJUHHUSA-N 1 3 300.368 3.800 20 0 DHADHO FC1(F)CCC(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925660591 1023006791 /nfs/dbraw/zinc/00/67/91/1023006791.db2.gz OJLUFVDJANFGHY-JKSUJKDBSA-N 1 3 300.437 3.570 20 0 DHADHO CC(C)Oc1cccc([C@H](C)NC2CC[NH+](C3CC3)CC2)c1 ZINC000298369363 1023031480 /nfs/dbraw/zinc/03/14/80/1023031480.db2.gz KNMIOUFLPUEWTR-HNNXBMFYSA-N 1 3 302.462 3.751 20 0 DHADHO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001172340447 1033124304 /nfs/dbraw/zinc/12/43/04/1033124304.db2.gz KAQPQBLGBMMVSO-QYZOEREBSA-N 1 3 310.526 3.921 20 0 DHADHO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001172340447 1033124307 /nfs/dbraw/zinc/12/43/07/1033124307.db2.gz KAQPQBLGBMMVSO-QYZOEREBSA-N 1 3 310.526 3.921 20 0 DHADHO CC(C)C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000652139605 1023357533 /nfs/dbraw/zinc/35/75/33/1023357533.db2.gz PBVAROHKXZYKNG-KXBFYZLASA-N 1 3 304.453 3.987 20 0 DHADHO CC(C)C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000652139605 1023357540 /nfs/dbraw/zinc/35/75/40/1023357540.db2.gz PBVAROHKXZYKNG-KXBFYZLASA-N 1 3 304.453 3.987 20 0 DHADHO COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000651758706 1023521102 /nfs/dbraw/zinc/52/11/02/1023521102.db2.gz KZHGMTLVEXGAGG-ULQDDVLXSA-N 1 3 310.526 3.680 20 0 DHADHO COC[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000651758707 1023522021 /nfs/dbraw/zinc/52/20/21/1023522021.db2.gz KZHGMTLVEXGAGG-ZACQAIPSSA-N 1 3 310.526 3.680 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccc(O)c2)CC1 ZINC000538721638 1033145404 /nfs/dbraw/zinc/14/54/04/1033145404.db2.gz WGWXEYVKAINITN-QGZVFWFLSA-N 1 3 316.489 3.869 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cccc(O)c2)CC1 ZINC000538721638 1033145411 /nfs/dbraw/zinc/14/54/11/1033145411.db2.gz WGWXEYVKAINITN-QGZVFWFLSA-N 1 3 316.489 3.869 20 0 DHADHO c1ccc(C(C[NH2+]CCCN2CCCC2)c2ccccc2)cc1 ZINC000323222892 1023548929 /nfs/dbraw/zinc/54/89/29/1023548929.db2.gz QVKPNDAJINOHER-UHFFFAOYSA-N 1 3 308.469 3.894 20 0 DHADHO CCN(Cc1cc2cnccc2o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000651808058 1023559502 /nfs/dbraw/zinc/55/95/02/1023559502.db2.gz DAXWCXYJHRQYFD-UHFFFAOYSA-N 1 3 323.440 3.912 20 0 DHADHO C[N@@H+]1CCC[C@@H](CN[C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652150854 1023681065 /nfs/dbraw/zinc/68/10/65/1023681065.db2.gz BCVOISUYHSSDAZ-QFBILLFUSA-N 1 3 301.478 3.634 20 0 DHADHO C[N@H+]1CCC[C@@H](CN[C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652150854 1023681067 /nfs/dbraw/zinc/68/10/67/1023681067.db2.gz BCVOISUYHSSDAZ-QFBILLFUSA-N 1 3 301.478 3.634 20 0 DHADHO CC(C)c1ccc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)n1 ZINC001206035163 1023842163 /nfs/dbraw/zinc/84/21/63/1023842163.db2.gz BWPLNCLZHMBJHH-KGLIPLIRSA-N 1 3 309.885 3.665 20 0 DHADHO COc1ccc([C@H](C)CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000246009612 1023896512 /nfs/dbraw/zinc/89/65/12/1023896512.db2.gz YELHUESBWIOLEO-MSOLQXFVSA-N 1 3 316.489 3.607 20 0 DHADHO CCCCC[C@@H]1CCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000662153257 1023930324 /nfs/dbraw/zinc/93/03/24/1023930324.db2.gz CDWXOHITAJBQJZ-HXUWFJFHSA-N 1 3 323.569 3.837 20 0 DHADHO CCCCC[C@@H]1CCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000662153257 1023930329 /nfs/dbraw/zinc/93/03/29/1023930329.db2.gz CDWXOHITAJBQJZ-HXUWFJFHSA-N 1 3 323.569 3.837 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(Cc3csc4ccccc34)CC[C@H]21 ZINC000538796560 1033180921 /nfs/dbraw/zinc/18/09/21/1033180921.db2.gz LGRYYXYUMPHBKW-WMLDXEAASA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(Cc3csc4ccccc34)CC[C@H]21 ZINC000538796560 1033180932 /nfs/dbraw/zinc/18/09/32/1033180932.db2.gz LGRYYXYUMPHBKW-WMLDXEAASA-N 1 3 300.471 3.817 20 0 DHADHO CN1CCC[C@H]2C[N@H+](Cc3csc4ccccc34)CC[C@H]21 ZINC000538796560 1033180940 /nfs/dbraw/zinc/18/09/40/1033180940.db2.gz LGRYYXYUMPHBKW-WMLDXEAASA-N 1 3 300.471 3.817 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](Cc3csc4ccccc34)CC[C@H]21 ZINC000538796560 1033180946 /nfs/dbraw/zinc/18/09/46/1033180946.db2.gz LGRYYXYUMPHBKW-WMLDXEAASA-N 1 3 300.471 3.817 20 0 DHADHO C[C@@H]1CCCN(Cc2ncc(-c3cccs3)o2)[C@@H]1CCC[NH3+] ZINC000662317915 1024103640 /nfs/dbraw/zinc/10/36/40/1024103640.db2.gz VOTAMQPQIPVZMT-ZIAGYGMSSA-N 1 3 319.474 3.743 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000925766720 1024185424 /nfs/dbraw/zinc/18/54/24/1024185424.db2.gz LLSQEFMFADDSLZ-UZLBHIALSA-N 1 3 311.473 3.767 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2cccc3c2CCOC3)c1 ZINC000882981815 1024194667 /nfs/dbraw/zinc/19/46/67/1024194667.db2.gz VDHIRHCURJKAHN-UHFFFAOYSA-N 1 3 324.468 3.501 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2cccc3c2CCOC3)c1 ZINC000882981815 1024194672 /nfs/dbraw/zinc/19/46/72/1024194672.db2.gz VDHIRHCURJKAHN-UHFFFAOYSA-N 1 3 324.468 3.501 20 0 DHADHO CC(C)OCC[C@@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172436414 1033198515 /nfs/dbraw/zinc/19/85/15/1033198515.db2.gz AWQIJGJTCIKVNZ-QGZVFWFLSA-N 1 3 310.526 3.824 20 0 DHADHO CC(C)OCC[C@@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001172439944 1033201873 /nfs/dbraw/zinc/20/18/73/1033201873.db2.gz HFLAAPRFCYKASG-QZTJIDSGSA-N 1 3 308.510 3.600 20 0 DHADHO CC1CCC(O)(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000663463536 1024395703 /nfs/dbraw/zinc/39/57/03/1024395703.db2.gz DMJWEOSKSLACRJ-VXLIZBOYSA-N 1 3 322.537 3.560 20 0 DHADHO CC1CCC(O)(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000663464050 1024399587 /nfs/dbraw/zinc/39/95/87/1024399587.db2.gz IERNLZPMIMGCLC-OWODTTCDSA-N 1 3 322.537 3.560 20 0 DHADHO c1ccc2c(c1)CCC([NH2+]C[C@@H]1CCCN(CC3CC3)C1)CC2 ZINC000663465828 1024402997 /nfs/dbraw/zinc/40/29/97/1024402997.db2.gz LQXUBLQUVBGYSD-SFHVURJKSA-N 1 3 312.501 3.646 20 0 DHADHO Cc1ccc(C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)o1 ZINC000531864595 1024406565 /nfs/dbraw/zinc/40/65/65/1024406565.db2.gz ONNZKQJNBNEFBX-HOTGVXAUSA-N 1 3 312.457 3.834 20 0 DHADHO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467699 1024415621 /nfs/dbraw/zinc/41/56/21/1024415621.db2.gz HFNYNSRXACWJFA-PMACEKPBSA-N 1 3 300.490 3.719 20 0 DHADHO c1ccc(C[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C2CC2)cc1 ZINC000663469291 1024418792 /nfs/dbraw/zinc/41/87/92/1024418792.db2.gz PNQYYDHUNSBOBU-TZIWHRDSSA-N 1 3 312.501 3.719 20 0 DHADHO C[C@@H]1[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000663472177 1024427312 /nfs/dbraw/zinc/42/73/12/1024427312.db2.gz ZFUIZPHYQUIAQP-XIGKFDRGSA-N 1 3 312.501 3.890 20 0 DHADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883424462 1024433904 /nfs/dbraw/zinc/43/39/04/1024433904.db2.gz TWQWECCLYQQZON-NOSIKRSBSA-N 1 3 314.473 3.641 20 0 DHADHO CCC[N@H+](C[C@H]1CCC[C@H](c2ccccc2)O1)C1CCNCC1 ZINC000883423981 1024434268 /nfs/dbraw/zinc/43/42/68/1024434268.db2.gz AQYKSHJIFPDKJE-WOJBJXKFSA-N 1 3 316.489 3.761 20 0 DHADHO CCC[N@@H+](C[C@H]1CCC[C@H](c2ccccc2)O1)C1CCNCC1 ZINC000883423981 1024434271 /nfs/dbraw/zinc/43/42/71/1024434271.db2.gz AQYKSHJIFPDKJE-WOJBJXKFSA-N 1 3 316.489 3.761 20 0 DHADHO CCCN(C[C@H]1CCC[C@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883423981 1024434275 /nfs/dbraw/zinc/43/42/75/1024434275.db2.gz AQYKSHJIFPDKJE-WOJBJXKFSA-N 1 3 316.489 3.761 20 0 DHADHO Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC000453285504 1024439559 /nfs/dbraw/zinc/43/95/59/1024439559.db2.gz JCVZWILPFDOADZ-WKCHPHFGSA-N 1 3 321.468 3.675 20 0 DHADHO Clc1cccc(CC2(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453379123 1024497880 /nfs/dbraw/zinc/49/78/80/1024497880.db2.gz QKRUATIPINIGQF-DLBZAZTESA-N 1 3 304.865 3.632 20 0 DHADHO Clc1cccc(CC2(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453379123 1024497887 /nfs/dbraw/zinc/49/78/87/1024497887.db2.gz QKRUATIPINIGQF-DLBZAZTESA-N 1 3 304.865 3.632 20 0 DHADHO CC[C@@H]1C[C@@H]([N@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001170247735 1024722767 /nfs/dbraw/zinc/72/27/67/1024722767.db2.gz YACBFVAUWAOGLD-RBUKOAKNSA-N 1 3 308.510 3.673 20 0 DHADHO CC[C@@H]1C[C@@H]([N@@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001170247735 1024722770 /nfs/dbraw/zinc/72/27/70/1024722770.db2.gz YACBFVAUWAOGLD-RBUKOAKNSA-N 1 3 308.510 3.673 20 0 DHADHO CCN(CC)CCC[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC001170387221 1024761265 /nfs/dbraw/zinc/76/12/65/1024761265.db2.gz RTOJYCKXYFLXNT-RBUKOAKNSA-N 1 3 318.505 3.692 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000021513132 1024955121 /nfs/dbraw/zinc/95/51/21/1024955121.db2.gz ZVKKYZPLKTWNFU-CYBMUJFWSA-N 1 3 300.368 3.842 20 0 DHADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1Cl ZINC000166596825 1025077185 /nfs/dbraw/zinc/07/71/85/1025077185.db2.gz PZRQFDNWJBAFKF-HUUCEWRRSA-N 1 3 324.871 3.973 20 0 DHADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1Cl ZINC000166596825 1025077191 /nfs/dbraw/zinc/07/71/91/1025077191.db2.gz PZRQFDNWJBAFKF-HUUCEWRRSA-N 1 3 324.871 3.973 20 0 DHADHO CSCc1cc(F)ccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353546847 1025121635 /nfs/dbraw/zinc/12/16/35/1025121635.db2.gz WWUQLHSTLVHVRC-KZNAEPCWSA-N 1 3 322.493 3.651 20 0 DHADHO CSCc1cc(F)ccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353546847 1025121641 /nfs/dbraw/zinc/12/16/41/1025121641.db2.gz WWUQLHSTLVHVRC-KZNAEPCWSA-N 1 3 322.493 3.651 20 0 DHADHO CSCc1cc(F)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000353546847 1025121649 /nfs/dbraw/zinc/12/16/49/1025121649.db2.gz WWUQLHSTLVHVRC-KZNAEPCWSA-N 1 3 322.493 3.651 20 0 DHADHO c1coc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000353641010 1025172504 /nfs/dbraw/zinc/17/25/04/1025172504.db2.gz DSMRTRRYUAINIQ-UHFFFAOYSA-N 1 3 310.441 3.768 20 0 DHADHO Cc1ccncc1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000353659372 1025182351 /nfs/dbraw/zinc/18/23/51/1025182351.db2.gz RELSAGFUQDUNQC-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1ccncc1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000353659372 1025182367 /nfs/dbraw/zinc/18/23/67/1025182367.db2.gz RELSAGFUQDUNQC-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000122836324 1025214184 /nfs/dbraw/zinc/21/41/84/1025214184.db2.gz CYXQTBWLOUKQOO-GFCCVEGCSA-N 1 3 312.379 3.983 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(-c3ccncc3)c2)[C@@H](C)C1 ZINC000353745787 1025227233 /nfs/dbraw/zinc/22/72/33/1025227233.db2.gz AHUHXRPESIOOJQ-UWJYYQICSA-N 1 3 323.484 3.911 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(-c3ccncc3)c2)[C@@H](C)C1 ZINC000353745787 1025227259 /nfs/dbraw/zinc/22/72/59/1025227259.db2.gz AHUHXRPESIOOJQ-UWJYYQICSA-N 1 3 323.484 3.911 20 0 DHADHO Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)CCC2 ZINC000125629034 1025484349 /nfs/dbraw/zinc/48/43/49/1025484349.db2.gz KROIOIZEOVQVAJ-HIFRSBDPSA-N 1 3 307.507 3.541 20 0 DHADHO CC(C)(C)OCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000354718775 1025490479 /nfs/dbraw/zinc/49/04/79/1025490479.db2.gz UZZROUZYTYADPZ-AEFFLSMTSA-N 1 3 308.510 3.530 20 0 DHADHO CC(C)(C)OCCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000354718775 1025490486 /nfs/dbraw/zinc/49/04/86/1025490486.db2.gz UZZROUZYTYADPZ-AEFFLSMTSA-N 1 3 308.510 3.530 20 0 DHADHO CC[NH+](CC)C[C@H]1CCN(CC[C@H](C)OCc2ccccc2)C1 ZINC000354837480 1025519997 /nfs/dbraw/zinc/51/99/97/1025519997.db2.gz OFWLLTKYRVPEID-AZUAARDMSA-N 1 3 318.505 3.646 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000886127047 1025520043 /nfs/dbraw/zinc/52/00/43/1025520043.db2.gz ACRYYAQMRREJQL-YQVWRLOYSA-N 1 3 320.521 3.578 20 0 DHADHO C[C@H](NC[C@H]1CCC2(CCC2)CO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127047 1025520052 /nfs/dbraw/zinc/52/00/52/1025520052.db2.gz ACRYYAQMRREJQL-YQVWRLOYSA-N 1 3 320.521 3.578 20 0 DHADHO C[C@H](NC[C@H]1CCC2(CCC2)CO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127047 1025520078 /nfs/dbraw/zinc/52/00/78/1025520078.db2.gz ACRYYAQMRREJQL-YQVWRLOYSA-N 1 3 320.521 3.578 20 0 DHADHO C[C@@H]([NH2+]CC1(C(F)F)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000348365991 1025523530 /nfs/dbraw/zinc/52/35/30/1025523530.db2.gz DVPBKLRCKOQDJH-GDBMZVCRSA-N 1 3 308.416 3.532 20 0 DHADHO Cc1noc(C)c1[C@@H](C)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000886525921 1025677862 /nfs/dbraw/zinc/67/78/62/1025677862.db2.gz AZGPHALEONZHJI-IMUUDWKMSA-N 1 3 305.466 3.739 20 0 DHADHO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000049553286 1025713499 /nfs/dbraw/zinc/71/34/99/1025713499.db2.gz HVQAQYHBXZHBNT-IUODEOHRSA-N 1 3 313.283 3.830 20 0 DHADHO C[C@H]([NH2+]C[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccncc1 ZINC000136601514 1025873762 /nfs/dbraw/zinc/87/37/62/1025873762.db2.gz UITKDPRQSRCCQM-JENIJYKNSA-N 1 3 309.457 3.643 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1cc(C)ccc1OC ZINC000093403330 1025896525 /nfs/dbraw/zinc/89/65/25/1025896525.db2.gz KXLUTFNJNDHGLY-FUHWJXTLSA-N 1 3 304.478 3.776 20 0 DHADHO [NH3+]C1(c2ccc(C(F)(F)F)cc2)CCN([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917487 1025928043 /nfs/dbraw/zinc/92/80/43/1025928043.db2.gz MMBICYJUJONWRI-YWVIFJGQSA-N 1 3 324.390 3.754 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261747626 1026245923 /nfs/dbraw/zinc/24/59/23/1026245923.db2.gz BYNOWFUWOMPNJM-OCCSQVGLSA-N 1 3 300.368 3.573 20 0 DHADHO COc1ccc([C@@H](C[NH3+])CN2CCC(c3ccccc3)CC2)cc1 ZINC000420316587 1026799859 /nfs/dbraw/zinc/79/98/59/1026799859.db2.gz MPNKQYSRQSKQQP-FQEVSTJZSA-N 1 3 324.468 3.617 20 0 DHADHO COc1ccccc1-c1ccc(CN(CCC[NH3+])C(C)C)cc1 ZINC000420306578 1026801793 /nfs/dbraw/zinc/80/17/93/1026801793.db2.gz QLGOEFHSXMUVKQ-UHFFFAOYSA-N 1 3 312.457 3.921 20 0 DHADHO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(C)n1 ZINC000421380163 1026972278 /nfs/dbraw/zinc/97/22/78/1026972278.db2.gz LVCQQCYJHOWZMG-WIYYLYMNSA-N 1 3 323.484 3.699 20 0 DHADHO COc1ccc([C@@H]([NH2+]C[C@H]2CCN(C3CC3)C2)C(C)C)c(F)c1 ZINC000421820247 1027067021 /nfs/dbraw/zinc/06/70/21/1027067021.db2.gz LNKKPDLSYLWSQS-KUHUBIRLSA-N 1 3 320.452 3.605 20 0 DHADHO C[C@H](CN1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1cccc(Cl)c1 ZINC000561982344 1027157873 /nfs/dbraw/zinc/15/78/73/1027157873.db2.gz MNCHLBZWUNTZKZ-HFTRVMKXSA-N 1 3 306.881 3.860 20 0 DHADHO C[C@H](CN1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1cccc(Cl)c1 ZINC000561982344 1027157879 /nfs/dbraw/zinc/15/78/79/1027157879.db2.gz MNCHLBZWUNTZKZ-HFTRVMKXSA-N 1 3 306.881 3.860 20 0 DHADHO CCCC[N@H+](C)CCCN[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659743 1027175363 /nfs/dbraw/zinc/17/53/63/1027175363.db2.gz RKCLWEYLJWAHKJ-INIZCTEOSA-N 1 3 310.432 3.534 20 0 DHADHO CCCC[N@@H+](C)CCCN[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659743 1027175367 /nfs/dbraw/zinc/17/53/67/1027175367.db2.gz RKCLWEYLJWAHKJ-INIZCTEOSA-N 1 3 310.432 3.534 20 0 DHADHO CCCCN(C)CCC[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659743 1027175373 /nfs/dbraw/zinc/17/53/73/1027175373.db2.gz RKCLWEYLJWAHKJ-INIZCTEOSA-N 1 3 310.432 3.534 20 0 DHADHO CCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(C)c1 ZINC000573512147 1027300926 /nfs/dbraw/zinc/30/09/26/1027300926.db2.gz SGZVZUMJQVAESL-ZCNNSNEGSA-N 1 3 316.489 3.746 20 0 DHADHO CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(C)c1 ZINC000573512147 1027300945 /nfs/dbraw/zinc/30/09/45/1027300945.db2.gz SGZVZUMJQVAESL-ZCNNSNEGSA-N 1 3 316.489 3.746 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000422758373 1027307237 /nfs/dbraw/zinc/30/72/37/1027307237.db2.gz JKANJUWYRPAPHN-IEBWSBKVSA-N 1 3 309.388 3.584 20 0 DHADHO CC[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)c1ccc(OC)cc1 ZINC000422769814 1027313805 /nfs/dbraw/zinc/31/38/05/1027313805.db2.gz UBRVIBPUMDXMGD-KUHUBIRLSA-N 1 3 313.445 3.659 20 0 DHADHO Cc1ccccc1O[C@H](C)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422784111 1027319933 /nfs/dbraw/zinc/31/99/33/1027319933.db2.gz IBMPHMLPCYKZNN-FCGDIQPGSA-N 1 3 316.489 3.663 20 0 DHADHO Cc1ccc(O[C@H](C)CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422795370 1027324282 /nfs/dbraw/zinc/32/42/82/1027324282.db2.gz VJRRFNJOBQLXFA-VBSBHUPXSA-N 1 3 316.489 3.663 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1C(F)(F)F ZINC000422784601 1027324364 /nfs/dbraw/zinc/32/43/64/1027324364.db2.gz PXRGUGFTFMHDNK-NSHDSACASA-N 1 3 323.362 3.718 20 0 DHADHO [NH3+][C@H]1CCC[C@@H]1NCCSCc1cccc2ccccc21 ZINC000422761598 1027324991 /nfs/dbraw/zinc/32/49/91/1027324991.db2.gz MZITZWXTCNCDOS-ROUUACIJSA-N 1 3 300.471 3.542 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(COCc2ccccc2)cc1 ZINC000422867389 1027348276 /nfs/dbraw/zinc/34/82/76/1027348276.db2.gz SBSTWXOWNUAJJE-IRXDYDNUSA-N 1 3 312.457 3.619 20 0 DHADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCO[C@@H]2c2ccccc2)c2ccccc21 ZINC000422901459 1027354958 /nfs/dbraw/zinc/35/49/58/1027354958.db2.gz KYUSVRWFJBFIJP-NASSWSRMSA-N 1 3 322.452 3.889 20 0 DHADHO COc1ccc(C(C)(C)CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422940640 1027367610 /nfs/dbraw/zinc/36/76/10/1027367610.db2.gz HIMUXEUCYZZBJQ-MOPGFXCFSA-N 1 3 310.441 3.707 20 0 DHADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1cccc(Cl)c1Cl ZINC000422948251 1027377163 /nfs/dbraw/zinc/37/71/63/1027377163.db2.gz QZTYDJSKGVYVAE-KBPBESRZSA-N 1 3 301.261 3.786 20 0 DHADHO COc1cc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])ccc1OCC(C)C ZINC000422945344 1027377387 /nfs/dbraw/zinc/37/73/87/1027377387.db2.gz UEFABTVUUGOJDL-KKUMJFAQSA-N 1 3 308.466 3.506 20 0 DHADHO CC(C)c1ccccc1OCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000422955590 1027378853 /nfs/dbraw/zinc/37/88/53/1027378853.db2.gz JQTWAKOLYNYCLD-OALUTQOASA-N 1 3 310.441 3.923 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCC2(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000422993579 1027381667 /nfs/dbraw/zinc/38/16/67/1027381667.db2.gz RPCIQLQWRRPLLR-MOPGFXCFSA-N 1 3 310.416 3.883 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000423000456 1027386303 /nfs/dbraw/zinc/38/63/03/1027386303.db2.gz ZGQABPQXANXDKX-RSPOEFSDSA-N 1 3 316.489 3.665 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422981478 1027387432 /nfs/dbraw/zinc/38/74/32/1027387432.db2.gz OHXMTGXDWKRVJZ-DFQSSKMNSA-N 1 3 316.489 3.578 20 0 DHADHO C[C@H]([NH2+]C1CCNCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000423020464 1027393215 /nfs/dbraw/zinc/39/32/15/1027393215.db2.gz BOJACNCSOMAFGY-NEPJUHHUSA-N 1 3 300.368 3.539 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423022237 1027393601 /nfs/dbraw/zinc/39/36/01/1027393601.db2.gz HEZDOZPRUFEIQY-LRDDRELGSA-N 1 3 310.844 3.618 20 0 DHADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCO[C@@H](c3ccccc3)C2)c2ccccc21 ZINC000423044043 1027399023 /nfs/dbraw/zinc/39/90/23/1027399023.db2.gz APFZYAVNNZGADR-GEALJGNFSA-N 1 3 308.425 3.641 20 0 DHADHO CCC(CC)[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000423043640 1027400887 /nfs/dbraw/zinc/40/08/87/1027400887.db2.gz PKUVUFORYHPGNJ-FCLVOEFKSA-N 1 3 302.462 3.705 20 0 DHADHO c1cnc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000423084793 1027409784 /nfs/dbraw/zinc/40/97/84/1027409784.db2.gz IXZMWMJLAJIIRG-YSIASYRMSA-N 1 3 309.457 3.635 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(C2CCC2)cc1 ZINC000423083259 1027410511 /nfs/dbraw/zinc/41/05/11/1027410511.db2.gz YMDGNCPVBLLMEK-AWEZNQCLSA-N 1 3 309.457 3.967 20 0 DHADHO CCO[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423079770 1027412328 /nfs/dbraw/zinc/41/23/28/1027412328.db2.gz AVCIHBMBUOPNEN-IYWMVGAKSA-N 1 3 316.489 3.665 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423128334 1027421889 /nfs/dbraw/zinc/42/18/89/1027421889.db2.gz VRYBLYAREPLQCN-MDNKFWRPSA-N 1 3 316.489 3.807 20 0 DHADHO CC(C)c1ccc(O[C@H](C)CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423111591 1027427303 /nfs/dbraw/zinc/42/73/03/1027427303.db2.gz QQNLZRNOLKHCKT-GPMSIDNRSA-N 1 3 304.478 3.555 20 0 DHADHO CSCc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423113312 1027429292 /nfs/dbraw/zinc/42/92/92/1027429292.db2.gz TYTNSPKGTNRLNN-ZDUSSCGKSA-N 1 3 315.486 3.563 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCCc2c(F)cccc21 ZINC000423148330 1027432194 /nfs/dbraw/zinc/43/21/94/1027432194.db2.gz VDJXGYFMBBAXDE-BFUOFWGJSA-N 1 3 313.420 3.716 20 0 DHADHO Cc1ccc(C2(C[NH2+][C@H](C)c3ccc(CN)nc3C)CC2)c(C)c1 ZINC000423142324 1027434536 /nfs/dbraw/zinc/43/45/36/1027434536.db2.gz AADDOJOQGLBKTJ-MRXNPFEDSA-N 1 3 323.484 3.848 20 0 DHADHO NC1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CCCCCC1 ZINC000423207650 1027444933 /nfs/dbraw/zinc/44/49/33/1027444933.db2.gz XYVFNWPOCYCKGE-MJGOQNOKSA-N 1 3 316.489 3.796 20 0 DHADHO FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000423189778 1027448339 /nfs/dbraw/zinc/44/83/39/1027448339.db2.gz RONZLNHPTMBURO-CJNGLKHVSA-N 1 3 312.379 3.683 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423212911 1027453077 /nfs/dbraw/zinc/45/30/77/1027453077.db2.gz JELYDCHZSHHTEK-DOXZYTNZSA-N 1 3 311.473 3.831 20 0 DHADHO C[C@H]([NH3+])CCN[C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423223259 1027465764 /nfs/dbraw/zinc/46/57/64/1027465764.db2.gz FQRNYODDWLWQCC-FZMZJTMJSA-N 1 3 319.449 3.654 20 0 DHADHO CCC(N)(CC)C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423281161 1027478763 /nfs/dbraw/zinc/47/87/63/1027478763.db2.gz AOTWBSGMSLAYDU-CHWSQXEVSA-N 1 3 305.491 3.895 20 0 DHADHO CC[C@H]([NH2+]CC(N)(CC)CC)c1ccc(OC(F)F)cc1 ZINC000423286760 1027482226 /nfs/dbraw/zinc/48/22/26/1027482226.db2.gz IOAFWYXMBYIXSY-AWEZNQCLSA-N 1 3 300.393 3.846 20 0 DHADHO CC(C)[C@H](N)C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423284474 1027483155 /nfs/dbraw/zinc/48/31/55/1027483155.db2.gz YBIPJRDMUILJFG-QZTJIDSGSA-N 1 3 317.864 3.592 20 0 DHADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(F)cc1N(C)C ZINC000423290703 1027486964 /nfs/dbraw/zinc/48/69/64/1027486964.db2.gz FCFZJGOAUPBDDK-UONOGXRCSA-N 1 3 315.436 3.762 20 0 DHADHO CC(C)[C@H](N)C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000423267773 1027488579 /nfs/dbraw/zinc/48/85/79/1027488579.db2.gz FVXQPPQGRGFIEM-ZWNOBZJWSA-N 1 3 317.296 3.535 20 0 DHADHO C[NH2+]C[C@H](C)CN[C@@H](Cc1ccccc1)c1sccc1C ZINC000423281589 1027494257 /nfs/dbraw/zinc/49/42/57/1027494257.db2.gz VUPVUSTXWABNPN-YOEHRIQHSA-N 1 3 302.487 3.785 20 0 DHADHO CC(C)[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310384 1027497443 /nfs/dbraw/zinc/49/74/43/1027497443.db2.gz AEVXOIHCLWRJJU-CABCVRRESA-N 1 3 300.368 3.729 20 0 DHADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(-c2ccccc2F)s1 ZINC000423311627 1027497758 /nfs/dbraw/zinc/49/77/58/1027497758.db2.gz CCVQZENGQYHHKH-NHYWBVRUSA-N 1 3 304.434 3.942 20 0 DHADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423297820 1027503221 /nfs/dbraw/zinc/50/32/21/1027503221.db2.gz LZXMSDWGGDGBGP-GJZGRUSLSA-N 1 3 316.420 3.650 20 0 DHADHO COc1ccc2oc([C@H](C)N[C@@H]3CCC[C@H]([NH3+])C3)c(C)c2c1 ZINC000423363704 1027521688 /nfs/dbraw/zinc/52/16/88/1027521688.db2.gz AFCPFKAUKBEUAO-MELADBBJSA-N 1 3 302.418 3.670 20 0 DHADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423377800 1027526506 /nfs/dbraw/zinc/52/65/06/1027526506.db2.gz KJSFJLKKTDVVLF-OAGGEKHMSA-N 1 3 313.489 3.954 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423382673 1027528361 /nfs/dbraw/zinc/52/83/61/1027528361.db2.gz DSZOKBNHGGMSES-SZMVWBNQSA-N 1 3 314.498 3.928 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423382673 1027528372 /nfs/dbraw/zinc/52/83/72/1027528372.db2.gz DSZOKBNHGGMSES-SZMVWBNQSA-N 1 3 314.498 3.928 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423404194 1027538740 /nfs/dbraw/zinc/53/87/40/1027538740.db2.gz ZAISQAQYLRULDF-NWANDNLSSA-N 1 3 312.910 3.941 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000423404194 1027538749 /nfs/dbraw/zinc/53/87/49/1027538749.db2.gz ZAISQAQYLRULDF-NWANDNLSSA-N 1 3 312.910 3.941 20 0 DHADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000423408372 1027540375 /nfs/dbraw/zinc/54/03/75/1027540375.db2.gz XIUZVTJMGFOBBR-QMMLZNLJSA-N 1 3 308.469 3.948 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(-c3ccncc3)c2)C1 ZINC000576985444 1027690503 /nfs/dbraw/zinc/69/05/03/1027690503.db2.gz YXDKUZCFKIYXTD-NHCUHLMSSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(-c3ccncc3)c2)C1 ZINC000576985444 1027690506 /nfs/dbraw/zinc/69/05/06/1027690506.db2.gz YXDKUZCFKIYXTD-NHCUHLMSSA-N 1 3 321.468 3.665 20 0 DHADHO C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)CN1CCCCC1 ZINC000449086960 1028328201 /nfs/dbraw/zinc/32/82/01/1028328201.db2.gz DZAHKLBIJRBFAQ-ZJRDLVKKSA-N 1 3 322.537 3.968 20 0 DHADHO CC[C@H](O)CCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449162139 1028421608 /nfs/dbraw/zinc/42/16/08/1028421608.db2.gz QSJLWCOLZGPTPZ-KRWDZBQOSA-N 1 3 312.542 3.806 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc2sccc2c1 ZINC000564823699 1028508368 /nfs/dbraw/zinc/50/83/68/1028508368.db2.gz WYDVVABJDJPPGP-GFCCVEGCSA-N 1 3 311.454 3.914 20 0 DHADHO COC1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCCC1 ZINC000449348749 1028560819 /nfs/dbraw/zinc/56/08/19/1028560819.db2.gz VHBGNJSVOOSJAC-FUHWJXTLSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@@]1(C)CCCO1 ZINC000815570827 1028567653 /nfs/dbraw/zinc/56/76/53/1028567653.db2.gz NDDWPTBJQNHPSO-QFBILLFUSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@@]1(C)CCCO1 ZINC000815570827 1028567669 /nfs/dbraw/zinc/56/76/69/1028567669.db2.gz NDDWPTBJQNHPSO-QFBILLFUSA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)(CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)C(F)(F)F ZINC000566088801 1028677514 /nfs/dbraw/zinc/67/75/14/1028677514.db2.gz PQBCHFQYZBXKTI-KBPBESRZSA-N 1 3 300.368 3.658 20 0 DHADHO NC[C@@H]1CCC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000566226150 1028690765 /nfs/dbraw/zinc/69/07/65/1028690765.db2.gz HYCCRHDUVNALLK-HNNXBMFYSA-N 1 3 314.395 3.699 20 0 DHADHO NC[C@@H]1CCC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000566226150 1028690771 /nfs/dbraw/zinc/69/07/71/1028690771.db2.gz HYCCRHDUVNALLK-HNNXBMFYSA-N 1 3 314.395 3.699 20 0 DHADHO [NH3+]C[C@@H]1CCCN(CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000566226150 1028690777 /nfs/dbraw/zinc/69/07/77/1028690777.db2.gz HYCCRHDUVNALLK-HNNXBMFYSA-N 1 3 314.395 3.699 20 0 DHADHO CSc1ccccc1C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371686097 1028747091 /nfs/dbraw/zinc/74/70/91/1028747091.db2.gz RBTCIUVOJLLMPR-UAGQMJEPSA-N 1 3 304.503 3.556 20 0 DHADHO CSc1ccccc1C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371686097 1028747106 /nfs/dbraw/zinc/74/71/06/1028747106.db2.gz RBTCIUVOJLLMPR-UAGQMJEPSA-N 1 3 304.503 3.556 20 0 DHADHO C[C@@H]1C[C@@H](N[C@@H](c2cccnc2)C2CCCCC2)CC[N@@H+]1C ZINC000372064464 1028802946 /nfs/dbraw/zinc/80/29/46/1028802946.db2.gz DUFMAYYJJNUTQL-AYOQOUSVSA-N 1 3 301.478 3.775 20 0 DHADHO C[C@@H]1C[C@@H](N[C@@H](c2cccnc2)C2CCCCC2)CC[N@H+]1C ZINC000372064464 1028802968 /nfs/dbraw/zinc/80/29/68/1028802968.db2.gz DUFMAYYJJNUTQL-AYOQOUSVSA-N 1 3 301.478 3.775 20 0 DHADHO CCO[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC000193424541 1029000754 /nfs/dbraw/zinc/00/07/54/1029000754.db2.gz DTHHGQQSPVJWKP-SFHVURJKSA-N 1 3 304.478 3.617 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000568131964 1029012091 /nfs/dbraw/zinc/01/20/91/1029012091.db2.gz ZWMJBWZANFPISJ-UMGGQSCQSA-N 1 3 300.490 3.889 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000628425753 1029052300 /nfs/dbraw/zinc/05/23/00/1029052300.db2.gz UKQFQUROAMVTCK-UQHVZDHRSA-N 1 3 308.416 3.532 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NC2(c3ccc(Br)cc3)CCC2)C1 ZINC000569000454 1029158386 /nfs/dbraw/zinc/15/83/86/1029158386.db2.gz JCVSJUJHRSIJLO-CABCVRRESA-N 1 3 323.278 3.688 20 0 DHADHO [NH3+]Cc1ccc(CNCc2cccc(OC3CCCC3)c2)cc1 ZINC000569693258 1029248198 /nfs/dbraw/zinc/24/81/98/1029248198.db2.gz FGERKCXGFFDUFO-UHFFFAOYSA-N 1 3 310.441 3.757 20 0 DHADHO CCc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817897543 1029270232 /nfs/dbraw/zinc/27/02/32/1029270232.db2.gz RUDCRISFYHKVEW-FPOVZHCZSA-N 1 3 322.452 3.595 20 0 DHADHO Cc1cccc(C)c1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817908195 1029271927 /nfs/dbraw/zinc/27/19/27/1029271927.db2.gz PUFVZIVABGLWQW-PZJWPPBQSA-N 1 3 322.452 3.649 20 0 DHADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccnc(Cl)c1 ZINC000817982680 1029320121 /nfs/dbraw/zinc/32/01/21/1029320121.db2.gz VJABNZPGNPSQKB-CZUORRHYSA-N 1 3 303.837 3.866 20 0 DHADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccnc(Cl)c1 ZINC000817982681 1029321111 /nfs/dbraw/zinc/32/11/11/1029321111.db2.gz VJABNZPGNPSQKB-XJKSGUPXSA-N 1 3 303.837 3.866 20 0 DHADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(C2CCCCC2)cc1 ZINC000629524914 1029357011 /nfs/dbraw/zinc/35/70/11/1029357011.db2.gz WFYFLXAIGIPVLR-INIZCTEOSA-N 1 3 316.489 3.893 20 0 DHADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCC1CCCCC1 ZINC000570366398 1029359309 /nfs/dbraw/zinc/35/93/09/1029359309.db2.gz ZKJBVMBUAZONGJ-QYZOEREBSA-N 1 3 308.510 3.530 20 0 DHADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544694 1029366046 /nfs/dbraw/zinc/36/60/46/1029366046.db2.gz IZENJUIMKXWOFO-BDJLRTHQSA-N 1 3 323.843 3.610 20 0 DHADHO [NH3+]C[C@H]1CN(CCC2CCCCCC2)CC[C@H]1C(F)(F)F ZINC000629561046 1029371851 /nfs/dbraw/zinc/37/18/51/1029371851.db2.gz GMTNMNFFDZOFOV-LSDHHAIUSA-N 1 3 306.416 3.806 20 0 DHADHO c1cc2ccc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2[nH]1 ZINC000529534538 1029392624 /nfs/dbraw/zinc/39/26/24/1029392624.db2.gz FGSVLNPTNUKWBP-PXNSSMCTSA-N 1 3 309.457 3.617 20 0 DHADHO c1cc2ccc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2[nH]1 ZINC000529534538 1029392640 /nfs/dbraw/zinc/39/26/40/1029392640.db2.gz FGSVLNPTNUKWBP-PXNSSMCTSA-N 1 3 309.457 3.617 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(SC(F)F)cc1 ZINC000818615418 1029420835 /nfs/dbraw/zinc/42/08/35/1029420835.db2.gz NZPMQENAEUBRMO-LERXQTSPSA-N 1 3 300.418 3.922 20 0 DHADHO C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)COCc1ccccc1 ZINC000389923405 1029435843 /nfs/dbraw/zinc/43/58/43/1029435843.db2.gz UETYWGFBUGAJAP-UIAACRFSSA-N 1 3 310.441 3.574 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000450724327 1029635114 /nfs/dbraw/zinc/63/51/14/1029635114.db2.gz GFKJZAJGVVKAGM-RRFJBIMHSA-N 1 3 300.437 3.664 20 0 DHADHO CCc1ccc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000390763224 1029703908 /nfs/dbraw/zinc/70/39/08/1029703908.db2.gz CFHDEOPFAHNCMS-QGZVFWFLSA-N 1 3 314.498 3.922 20 0 DHADHO CCc1ccc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000390763224 1029703912 /nfs/dbraw/zinc/70/39/12/1029703912.db2.gz CFHDEOPFAHNCMS-QGZVFWFLSA-N 1 3 314.498 3.922 20 0 DHADHO CCc1ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000390763208 1029704067 /nfs/dbraw/zinc/70/40/67/1029704067.db2.gz CFHDEOPFAHNCMS-KRWDZBQOSA-N 1 3 314.498 3.922 20 0 DHADHO CCc1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000390763208 1029704074 /nfs/dbraw/zinc/70/40/74/1029704074.db2.gz CFHDEOPFAHNCMS-KRWDZBQOSA-N 1 3 314.498 3.922 20 0 DHADHO C1CC([C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@H]2CCOC2)C1 ZINC000865759848 1030008673 /nfs/dbraw/zinc/00/86/73/1030008673.db2.gz SPNGGIRMOVFFRK-FXAWDEMLSA-N 1 3 320.521 3.578 20 0 DHADHO C1CC([NH2+]C2CCN(C3CCCCC3)CC2)([C@@H]2CCCCO2)C1 ZINC000865856357 1030061847 /nfs/dbraw/zinc/06/18/47/1030061847.db2.gz GRWXTBKRJSCAKD-IBGZPJMESA-N 1 3 320.521 3.865 20 0 DHADHO C1CC(NC2CC[NH+](C3CCCCC3)CC2)([C@@H]2CCCCO2)C1 ZINC000865856357 1030061862 /nfs/dbraw/zinc/06/18/62/1030061862.db2.gz GRWXTBKRJSCAKD-IBGZPJMESA-N 1 3 320.521 3.865 20 0 DHADHO COCc1ccccc1CN[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924604670 1030137411 /nfs/dbraw/zinc/13/74/11/1030137411.db2.gz XFBWGNBUIZSJBF-INIZCTEOSA-N 1 3 312.457 3.745 20 0 DHADHO COc1cc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc2ccccc21 ZINC000924651719 1030152142 /nfs/dbraw/zinc/15/21/42/1030152142.db2.gz ZZSRFUAESBUXEX-CVEARBPZSA-N 1 3 324.468 3.983 20 0 DHADHO COc1cc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc2ccccc21 ZINC000924651719 1030152148 /nfs/dbraw/zinc/15/21/48/1030152148.db2.gz ZZSRFUAESBUXEX-CVEARBPZSA-N 1 3 324.468 3.983 20 0 DHADHO C[C@H]1CCC[N@H+](CCCCN[C@@H]2CCc3c2nccc3Cl)C1 ZINC000924684250 1030156585 /nfs/dbraw/zinc/15/65/85/1030156585.db2.gz DGFCNWCDCNOUNK-WMLDXEAASA-N 1 3 321.896 3.824 20 0 DHADHO C[C@H]1CCC[N@@H+](CCCCN[C@@H]2CCc3c2nccc3Cl)C1 ZINC000924684250 1030156591 /nfs/dbraw/zinc/15/65/91/1030156591.db2.gz DGFCNWCDCNOUNK-WMLDXEAASA-N 1 3 321.896 3.824 20 0 DHADHO Cc1noc(C)c1[C@H](C)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000924685242 1030157965 /nfs/dbraw/zinc/15/79/65/1030157965.db2.gz OGPRXLKRQSSIKH-KFWWJZLASA-N 1 3 307.482 3.700 20 0 DHADHO C[C@H]1CCc2ccc(F)cc2[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000866368315 1030260157 /nfs/dbraw/zinc/26/01/57/1030260157.db2.gz ZXQXOAMJNYDVDV-POTCCKHJSA-N 1 3 302.437 3.664 20 0 DHADHO C[C@H]1CCc2ccc(F)cc2[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000866368315 1030260165 /nfs/dbraw/zinc/26/01/65/1030260165.db2.gz ZXQXOAMJNYDVDV-POTCCKHJSA-N 1 3 302.437 3.664 20 0 DHADHO CC1CCC(O)(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000357997443 1030274292 /nfs/dbraw/zinc/27/42/92/1030274292.db2.gz CZPRYALOZOYNBU-KAXARAQCSA-N 1 3 322.537 3.514 20 0 DHADHO CC1CCC(O)(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000357997443 1030274304 /nfs/dbraw/zinc/27/43/04/1030274304.db2.gz CZPRYALOZOYNBU-KAXARAQCSA-N 1 3 322.537 3.514 20 0 DHADHO CSc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000358037587 1030290586 /nfs/dbraw/zinc/29/05/86/1030290586.db2.gz RFZJKSCXQQDSCN-MAUKXSAKSA-N 1 3 316.514 3.857 20 0 DHADHO CSc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000358037587 1030290597 /nfs/dbraw/zinc/29/05/97/1030290597.db2.gz RFZJKSCXQQDSCN-MAUKXSAKSA-N 1 3 316.514 3.857 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3sccc32)C[C@H](C)O1 ZINC000358040693 1030294717 /nfs/dbraw/zinc/29/47/17/1030294717.db2.gz SKJWIKHCGAAUAW-HLLBOEOZSA-N 1 3 322.518 3.605 20 0 DHADHO CC(C)[NH+]1CCC(CCN[C@@H](C)c2cccnc2Cl)CC1 ZINC000866468066 1030309824 /nfs/dbraw/zinc/30/98/24/1030309824.db2.gz ZMGNRTDCEBQBIH-AWEZNQCLSA-N 1 3 309.885 3.896 20 0 DHADHO CC(C)[NH+]1CCC(CCN[C@H]2CCCc3scnc32)CC1 ZINC000866468591 1030310303 /nfs/dbraw/zinc/31/03/03/1030310303.db2.gz GHROCQDCDVGLDQ-HNNXBMFYSA-N 1 3 307.507 3.621 20 0 DHADHO CC(C)CCN1CCC([NH2+][C@@H](C)C[C@H](O)c2cccs2)CC1 ZINC000925290805 1030334087 /nfs/dbraw/zinc/33/40/87/1030334087.db2.gz DSQHRISPSUZRAH-RDJZCZTQSA-N 1 3 324.534 3.660 20 0 DHADHO CC(C)CC[NH+]1CCC(N[C@@H](C)C[C@H](O)c2cccs2)CC1 ZINC000925290805 1030334101 /nfs/dbraw/zinc/33/41/01/1030334101.db2.gz DSQHRISPSUZRAH-RDJZCZTQSA-N 1 3 324.534 3.660 20 0 DHADHO CC1(C)C[C@H](NCCc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC001246266793 1030353520 /nfs/dbraw/zinc/35/35/20/1030353520.db2.gz PQVOSHFXUKLWMB-CQSZACIVSA-N 1 3 301.261 3.656 20 0 DHADHO CC1(C)C[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CCN1 ZINC001246266793 1030353533 /nfs/dbraw/zinc/35/35/33/1030353533.db2.gz PQVOSHFXUKLWMB-CQSZACIVSA-N 1 3 301.261 3.656 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000291259269 1030423027 /nfs/dbraw/zinc/42/30/27/1030423027.db2.gz PVAQMGCQHFMPJL-LJQANCHMSA-N 1 3 310.441 3.621 20 0 DHADHO Fc1cccc(CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000533557636 1030426226 /nfs/dbraw/zinc/42/62/26/1030426226.db2.gz XHMKHUMQPOIWON-UHFFFAOYSA-N 1 3 304.453 3.914 20 0 DHADHO Cc1nc(C(C)C)ccc1CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708319 1030429174 /nfs/dbraw/zinc/42/91/74/1030429174.db2.gz MPHYKCQKAZKVNF-LJQANCHMSA-N 1 3 303.494 3.710 20 0 DHADHO C[C@H](N[C@@H](c1cccnc1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925646985 1030431562 /nfs/dbraw/zinc/43/15/62/1030431562.db2.gz XJIPLCMZNUSMOU-MGPUTAFESA-N 1 3 309.457 3.945 20 0 DHADHO [NH3+][C@H]1C[C@@H](N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C12CCC2 ZINC000925657932 1030444064 /nfs/dbraw/zinc/44/40/64/1030444064.db2.gz VJDQDRQGSYSKFW-QCEMKRCNSA-N 1 3 324.390 3.811 20 0 DHADHO c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925678409 1030450694 /nfs/dbraw/zinc/45/06/94/1030450694.db2.gz DSTIHOKVVGZWJY-RYQLBKOJSA-N 1 3 316.514 3.634 20 0 DHADHO C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925733146 1030470098 /nfs/dbraw/zinc/47/00/98/1030470098.db2.gz SXHGGXMRUSEILX-DRZSPHRISA-N 1 3 315.383 3.657 20 0 DHADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CNCCC2(F)F)c2ccccc21 ZINC000925779642 1030495720 /nfs/dbraw/zinc/49/57/20/1030495720.db2.gz YTTJDUAGVQMPKY-COXVUDFISA-N 1 3 308.416 3.705 20 0 DHADHO CCC[C@H](NCC1(C)CC[NH+](C)CC1)c1ncccc1Cl ZINC000926113481 1030619908 /nfs/dbraw/zinc/61/99/08/1030619908.db2.gz GGVFYMKABDTZPE-HNNXBMFYSA-N 1 3 309.885 3.898 20 0 DHADHO Cc1ccc([C@@H](NCC2(C)CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000926114113 1030620264 /nfs/dbraw/zinc/62/02/64/1030620264.db2.gz KCXSYLXRCILYAC-HXUWFJFHSA-N 1 3 323.484 3.801 20 0 DHADHO COC1CCC(CC[NH2+]C2CCN(CCC(C)C)CC2)CC1 ZINC000926154978 1030635991 /nfs/dbraw/zinc/63/59/91/1030635991.db2.gz KYKVIYJGJMRIIR-UHFFFAOYSA-N 1 3 310.526 3.682 20 0 DHADHO CC1(C)[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@@H]2CCCO[C@H]21 ZINC000247089256 1030675496 /nfs/dbraw/zinc/67/54/96/1030675496.db2.gz NUZNSZGZDUPFAM-IPMKNSEASA-N 1 3 320.521 3.577 20 0 DHADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1coc2ccccc21 ZINC000926287414 1030687192 /nfs/dbraw/zinc/68/71/92/1030687192.db2.gz NWAOUKTYWGTUSU-CVEARBPZSA-N 1 3 316.445 3.584 20 0 DHADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1coc2ccccc21 ZINC000926287414 1030687198 /nfs/dbraw/zinc/68/71/98/1030687198.db2.gz NWAOUKTYWGTUSU-CVEARBPZSA-N 1 3 316.445 3.584 20 0 DHADHO Cc1ccc([C@@H](NCC[C@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000926571800 1030802490 /nfs/dbraw/zinc/80/24/90/1030802490.db2.gz CMQSFEUPJWISKB-WIYYLYMNSA-N 1 3 323.484 3.801 20 0 DHADHO Cc1ccc([C@@H](NCC[C@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000926571800 1030802509 /nfs/dbraw/zinc/80/25/09/1030802509.db2.gz CMQSFEUPJWISKB-WIYYLYMNSA-N 1 3 323.484 3.801 20 0 DHADHO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC)c1ccccc1F ZINC000926645252 1030837641 /nfs/dbraw/zinc/83/76/41/1030837641.db2.gz AKRCMHXOHXZEMM-IYHXRUFHSA-N 1 3 320.452 3.508 20 0 DHADHO C[C@H](c1nc2ccccc2s1)N(C)CCC1CC[NH2+]CC1 ZINC000359212654 1030843019 /nfs/dbraw/zinc/84/30/19/1030843019.db2.gz DXCWTXOPGCBSOG-CYBMUJFWSA-N 1 3 303.475 3.679 20 0 DHADHO COc1cccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)c1C ZINC000926734895 1030890932 /nfs/dbraw/zinc/89/09/32/1030890932.db2.gz UGJMAMGAWNTXPN-INIZCTEOSA-N 1 3 312.457 3.916 20 0 DHADHO C[C@H](O)[C@@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000926731967 1030893095 /nfs/dbraw/zinc/89/30/95/1030893095.db2.gz NOCNTQFRWVCWFQ-TWOQFEAHSA-N 1 3 312.457 3.521 20 0 DHADHO Cc1ccc(C(F)(F)F)c(CN2CCC3(C[NH+](C)C3)CC2)c1 ZINC001143680865 1030900924 /nfs/dbraw/zinc/90/09/24/1030900924.db2.gz MDVLQCQIQTWZQB-UHFFFAOYSA-N 1 3 312.379 3.541 20 0 DHADHO CCCN1CCC([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000161620940 1030924141 /nfs/dbraw/zinc/92/41/41/1030924141.db2.gz UVNTURGTADZHJX-KRWDZBQOSA-N 1 3 320.452 3.892 20 0 DHADHO CSc1cc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)ccn1 ZINC000925295847 1031013455 /nfs/dbraw/zinc/01/34/55/1031013455.db2.gz UBSHUPQREYILRN-AWEZNQCLSA-N 1 3 315.486 3.716 20 0 DHADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000360035658 1031250214 /nfs/dbraw/zinc/25/02/14/1031250214.db2.gz BOHPJMQKODLIEJ-DLBZAZTESA-N 1 3 321.468 3.884 20 0 DHADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000360035658 1031250218 /nfs/dbraw/zinc/25/02/18/1031250218.db2.gz BOHPJMQKODLIEJ-DLBZAZTESA-N 1 3 321.468 3.884 20 0 DHADHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1cccc(OC)c1 ZINC000360147570 1031294845 /nfs/dbraw/zinc/29/48/45/1031294845.db2.gz HAQFGPGHYNDCKC-APWZRJJASA-N 1 3 304.478 3.858 20 0 DHADHO FCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000777710215 1031393713 /nfs/dbraw/zinc/39/37/13/1031393713.db2.gz XGTPILZQJCLSOW-IEBWSBKVSA-N 1 3 302.437 3.605 20 0 DHADHO FCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000777710215 1031393729 /nfs/dbraw/zinc/39/37/29/1031393729.db2.gz XGTPILZQJCLSOW-IEBWSBKVSA-N 1 3 302.437 3.605 20 0 DHADHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc([O-])c1F ZINC000872021903 1031406334 /nfs/dbraw/zinc/40/63/34/1031406334.db2.gz FVQZOSIRMUAFKG-GJZGRUSLSA-N 1 3 308.441 3.694 20 0 DHADHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc([O-])c1F ZINC000872021903 1031406341 /nfs/dbraw/zinc/40/63/41/1031406341.db2.gz FVQZOSIRMUAFKG-GJZGRUSLSA-N 1 3 308.441 3.694 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423371544 1031521428 /nfs/dbraw/zinc/52/14/28/1031521428.db2.gz GOLGUWRKKKLBBT-FPMFFAJLSA-N 1 3 316.367 3.548 20 0 DHADHO CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1(C)C ZINC000537294411 1031559135 /nfs/dbraw/zinc/55/91/35/1031559135.db2.gz CQDMURQATHHZSB-RCCFBDPRSA-N 1 3 310.526 3.536 20 0 DHADHO c1c2ccccc2sc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000293874335 1031668855 /nfs/dbraw/zinc/66/88/55/1031668855.db2.gz ZUGXLNDBDOCEME-HOTGVXAUSA-N 1 3 300.471 3.660 20 0 DHADHO c1c2ccccc2sc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000293874335 1031668858 /nfs/dbraw/zinc/66/88/58/1031668858.db2.gz ZUGXLNDBDOCEME-HOTGVXAUSA-N 1 3 300.471 3.660 20 0 DHADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000361112932 1031732675 /nfs/dbraw/zinc/73/26/75/1031732675.db2.gz WIZCVKJOJMFXBC-HXUWFJFHSA-N 1 3 310.441 3.621 20 0 DHADHO CC1(C)C[C@]1(NCc1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000873212063 1031761570 /nfs/dbraw/zinc/76/15/70/1031761570.db2.gz GJQWDOUQMKDZOF-IBGZPJMESA-N 1 3 312.482 3.809 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873273602 1031783569 /nfs/dbraw/zinc/78/35/69/1031783569.db2.gz JFDHHFTWRCASDX-KBUPBQIOSA-N 1 3 304.400 3.784 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000044534499 1032054154 /nfs/dbraw/zinc/05/41/54/1032054154.db2.gz PYLNMGGJYFWOIC-QWHCGFSZSA-N 1 3 300.368 3.698 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000044534499 1032054166 /nfs/dbraw/zinc/05/41/66/1032054166.db2.gz PYLNMGGJYFWOIC-QWHCGFSZSA-N 1 3 300.368 3.698 20 0 DHADHO Cc1ccc2c(c1)C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)CC2 ZINC001172836763 1033399405 /nfs/dbraw/zinc/39/94/05/1033399405.db2.gz XBXNEQMVOKRSFX-XLIONFOSSA-N 1 3 300.490 3.706 20 0 DHADHO C[NH+]1CCC2(CCN(Cc3ccnc4ccccc34)CC2)CC1 ZINC000877684320 1033409292 /nfs/dbraw/zinc/40/92/92/1033409292.db2.gz LYIUMXRUCISGAE-UHFFFAOYSA-N 1 3 309.457 3.543 20 0 DHADHO C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc([O-])c1F ZINC000927039692 1033413925 /nfs/dbraw/zinc/41/39/25/1033413925.db2.gz VSICAQNLQDRZPI-VNSJNIRKSA-N 1 3 306.425 3.589 20 0 DHADHO CCN1C[C@@H]2C[NH+]([C@H](C)CSc3ccc(Cl)cc3)C[C@H]2C1 ZINC001172885614 1033458256 /nfs/dbraw/zinc/45/82/56/1033458256.db2.gz QYDZFRODNRPXAC-RBSFLKMASA-N 1 3 324.921 3.704 20 0 DHADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cc(F)c(Cl)cc1Cl ZINC000643533708 1033463468 /nfs/dbraw/zinc/46/34/68/1033463468.db2.gz CDQKTHKQXMMQBJ-YMTOWFKASA-N 1 3 317.235 3.925 20 0 DHADHO CO[C@H]1CCC[C@H](N2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001172929666 1033473902 /nfs/dbraw/zinc/47/39/02/1033473902.db2.gz ORMPUYTWVBARMP-IRXDYDNUSA-N 1 3 322.880 3.547 20 0 DHADHO CO[C@H]1CCC[C@@H](N2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001172929669 1033475645 /nfs/dbraw/zinc/47/56/45/1033475645.db2.gz ORMPUYTWVBARMP-SJORKVTESA-N 1 3 322.880 3.547 20 0 DHADHO CC[NH+](CC)C1CCC(n2c3ccccc3nc2[C@H](C)N)CC1 ZINC001173104610 1033543493 /nfs/dbraw/zinc/54/34/93/1033543493.db2.gz SISWBVIKQZPTGA-FHERZECASA-N 1 3 314.477 3.882 20 0 DHADHO CCSC[C@H](C)[NH+]1CCC(N(C)Cc2ccccc2)CC1 ZINC001173305399 1033659930 /nfs/dbraw/zinc/65/99/30/1033659930.db2.gz OBOOLUUBJCGSSN-INIZCTEOSA-N 1 3 306.519 3.724 20 0 DHADHO [NH3+][C@@H]1CCN(Cc2ccc(Cc3ccccc3)cc2)CC[C@H]1F ZINC001206199079 1033723403 /nfs/dbraw/zinc/72/34/03/1033723403.db2.gz NQPXAHZGZXETNU-WOJBJXKFSA-N 1 3 312.432 3.539 20 0 DHADHO CCCCO[C@@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000479518784 1033797818 /nfs/dbraw/zinc/79/78/18/1033797818.db2.gz SFOYXHXSZJDWMK-OPQOLIRYSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CC(C(F)(F)F)C3)CC2)C1 ZINC000554140047 1033985162 /nfs/dbraw/zinc/98/51/62/1033985162.db2.gz QONXJQXXCLKLIR-XCAIRMDXSA-N 1 3 318.427 3.960 20 0 DHADHO CCc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)nc1 ZINC000339050374 1033989062 /nfs/dbraw/zinc/98/90/62/1033989062.db2.gz DHQMNABRTDNZAB-UHFFFAOYSA-N 1 3 315.505 3.732 20 0 DHADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000178174119 1034215501 /nfs/dbraw/zinc/21/55/01/1034215501.db2.gz PSTOYSPTSCGUAN-CQSZACIVSA-N 1 3 304.459 3.539 20 0 DHADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCCCc2ccccc2)C1 ZINC000480552797 1034305766 /nfs/dbraw/zinc/30/57/66/1034305766.db2.gz IVITWVNSGPMPMU-HXUWFJFHSA-N 1 3 300.490 3.673 20 0 DHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCCCc2ccccc2)C1 ZINC000480552797 1034305779 /nfs/dbraw/zinc/30/57/79/1034305779.db2.gz IVITWVNSGPMPMU-HXUWFJFHSA-N 1 3 300.490 3.673 20 0 DHADHO COC1(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCCCC1 ZINC000480659337 1034377889 /nfs/dbraw/zinc/37/78/89/1034377889.db2.gz FKEURINFIVDCFV-IEBWSBKVSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000554888609 1034393945 /nfs/dbraw/zinc/39/39/45/1034393945.db2.gz QUFOOAKBWORUMT-MAUKXSAKSA-N 1 3 316.489 3.562 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000554888609 1034393957 /nfs/dbraw/zinc/39/39/57/1034393957.db2.gz QUFOOAKBWORUMT-MAUKXSAKSA-N 1 3 316.489 3.562 20 0 DHADHO Cc1cnccc1Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001174538812 1034453542 /nfs/dbraw/zinc/45/35/42/1034453542.db2.gz ROIHZWVEFFZIBI-HXUWFJFHSA-N 1 3 321.468 3.899 20 0 DHADHO c1ccc(CCCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000480879252 1034491726 /nfs/dbraw/zinc/49/17/26/1034491726.db2.gz KYKBTMPITRDPFI-TZIWHRDSSA-N 1 3 312.501 3.958 20 0 DHADHO c1ccc(CCCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000480879252 1034491732 /nfs/dbraw/zinc/49/17/32/1034491732.db2.gz KYKBTMPITRDPFI-TZIWHRDSSA-N 1 3 312.501 3.958 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](CCc2ccccc2)C(C)C)C1 ZINC000481016743 1034550676 /nfs/dbraw/zinc/55/06/76/1034550676.db2.gz BITXTXRVNABKRP-WOJBJXKFSA-N 1 3 302.506 3.965 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3nc(C)ccc3c2)[C@H](C)C1 ZINC000187360960 1034703660 /nfs/dbraw/zinc/70/36/60/1034703660.db2.gz HBNOOQILGBGXDQ-FOIQADDNSA-N 1 3 311.473 3.705 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3nc(C)ccc3c2)[C@H](C)C1 ZINC000187360960 1034703676 /nfs/dbraw/zinc/70/36/76/1034703676.db2.gz HBNOOQILGBGXDQ-FOIQADDNSA-N 1 3 311.473 3.705 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000187399163 1034706018 /nfs/dbraw/zinc/70/60/18/1034706018.db2.gz VGZHXSYWROVSHU-SFHVURJKSA-N 1 3 304.478 3.509 20 0 DHADHO CC[N@H+](C)C[C@@H]1CCN(CCCCCOc2ccccc2)C1 ZINC000187399163 1034705979 /nfs/dbraw/zinc/70/59/79/1034705979.db2.gz VGZHXSYWROVSHU-SFHVURJKSA-N 1 3 304.478 3.509 20 0 DHADHO CC[N@@H+](C)C[C@@H]1CCN(CCCCCOc2ccccc2)C1 ZINC000187399163 1034705989 /nfs/dbraw/zinc/70/59/89/1034705989.db2.gz VGZHXSYWROVSHU-SFHVURJKSA-N 1 3 304.478 3.509 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000187399163 1034706003 /nfs/dbraw/zinc/70/60/03/1034706003.db2.gz VGZHXSYWROVSHU-SFHVURJKSA-N 1 3 304.478 3.509 20 0 DHADHO CC(C)CN(CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCc2cccnc21 ZINC000481344627 1034766878 /nfs/dbraw/zinc/76/68/78/1034766878.db2.gz SRMKWHYMNMNELD-RBUKOAKNSA-N 1 3 315.505 3.901 20 0 DHADHO CC(C)CN(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCc2cccnc21 ZINC000481344627 1034766890 /nfs/dbraw/zinc/76/68/90/1034766890.db2.gz SRMKWHYMNMNELD-RBUKOAKNSA-N 1 3 315.505 3.901 20 0 DHADHO CC1CC[NH+](CC[C@H]2CCCN2CCCc2cccnc2)CC1 ZINC001175362486 1034953515 /nfs/dbraw/zinc/95/35/15/1034953515.db2.gz VMKJRBUGVOPDEW-HXUWFJFHSA-N 1 3 315.505 3.601 20 0 DHADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCCc2cccnc2)CC1 ZINC001175362486 1034953520 /nfs/dbraw/zinc/95/35/20/1034953520.db2.gz VMKJRBUGVOPDEW-HXUWFJFHSA-N 1 3 315.505 3.601 20 0 DHADHO CC1CCN(CC[C@H]2CCC[N@H+]2CCCc2cccnc2)CC1 ZINC001175362486 1034953527 /nfs/dbraw/zinc/95/35/27/1034953527.db2.gz VMKJRBUGVOPDEW-HXUWFJFHSA-N 1 3 315.505 3.601 20 0 DHADHO C[C@@H]1C[C@H](NC2CC(F)(c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000482075963 1035055992 /nfs/dbraw/zinc/05/59/92/1035055992.db2.gz NCHIVTGSBZGIBY-SIUGARCYSA-N 1 3 310.844 3.740 20 0 DHADHO C[C@@H]1C[C@H](NC2CC(F)(c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000482075963 1035055998 /nfs/dbraw/zinc/05/59/98/1035055998.db2.gz NCHIVTGSBZGIBY-SIUGARCYSA-N 1 3 310.844 3.740 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(OC2CCCCC2)cc1 ZINC000482132862 1035058806 /nfs/dbraw/zinc/05/88/06/1035058806.db2.gz IRUMKLVLZIZZNA-OXQOHEQNSA-N 1 3 316.489 3.828 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(OC2CCCCC2)cc1 ZINC000482132862 1035058814 /nfs/dbraw/zinc/05/88/14/1035058814.db2.gz IRUMKLVLZIZZNA-OXQOHEQNSA-N 1 3 316.489 3.828 20 0 DHADHO Cc1ccc(C)c(CN(C)Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000668062409 1035126981 /nfs/dbraw/zinc/12/69/81/1035126981.db2.gz IYMVGNOAUYHXOU-UHFFFAOYSA-N 1 3 306.413 3.516 20 0 DHADHO CC(C)N1CCC([N@H+](C)Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483144767 1035234349 /nfs/dbraw/zinc/23/43/49/1035234349.db2.gz NJFRPCDIOXEURS-UHFFFAOYSA-N 1 3 316.489 3.780 20 0 DHADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483144767 1035234353 /nfs/dbraw/zinc/23/43/53/1035234353.db2.gz NJFRPCDIOXEURS-UHFFFAOYSA-N 1 3 316.489 3.780 20 0 DHADHO CC(C)(C[NH2+]CCCCOc1ccccc1)CN1CCCC1 ZINC000483428277 1035269035 /nfs/dbraw/zinc/26/90/35/1035269035.db2.gz UVGBDAQYUKEGPQ-UHFFFAOYSA-N 1 3 304.478 3.557 20 0 DHADHO CCCCCC[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC001177076679 1035348374 /nfs/dbraw/zinc/34/83/74/1035348374.db2.gz OXMHLPUHYKSNJT-UHFFFAOYSA-N 1 3 317.521 3.889 20 0 DHADHO CCOc1ccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC001177290738 1035360065 /nfs/dbraw/zinc/36/00/65/1035360065.db2.gz VQDRIFSANMMVQD-HOTGVXAUSA-N 1 3 308.466 3.526 20 0 DHADHO C[C@@H](CCc1ccccc1)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC001177416074 1035369222 /nfs/dbraw/zinc/36/92/22/1035369222.db2.gz HVFHNUILDXTANM-OALUTQOASA-N 1 3 302.506 3.967 20 0 DHADHO Cc1ccc(C)c(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904476972 1035418643 /nfs/dbraw/zinc/41/86/43/1035418643.db2.gz VQRGDWKUFKIRBJ-FPOVZHCZSA-N 1 3 322.452 3.649 20 0 DHADHO Cc1cccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000904477020 1035418669 /nfs/dbraw/zinc/41/86/69/1035418669.db2.gz WJZXUYCZDONUKN-TZIWHRDSSA-N 1 3 322.452 3.649 20 0 DHADHO Cc1cc(C[NH2+]CC[C@H](C)N(C)C)ccc1Oc1cccnc1 ZINC001179266060 1035472082 /nfs/dbraw/zinc/47/20/82/1035472082.db2.gz IAHOQSLVSKJLEL-INIZCTEOSA-N 1 3 313.445 3.612 20 0 DHADHO Brc1cccc2c1CC[C@H]2[NH2+]CCCN1CCCC1 ZINC000223017527 1035598394 /nfs/dbraw/zinc/59/83/94/1035598394.db2.gz MDEJPYQEEYRCOI-MRXNPFEDSA-N 1 3 323.278 3.512 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1(CC)CC ZINC000539497113 1035756124 /nfs/dbraw/zinc/75/61/24/1035756124.db2.gz QHIKCCSZRYDPFI-OKZBNKHCSA-N 1 3 310.526 3.680 20 0 DHADHO C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1 ZINC000906159546 1035783997 /nfs/dbraw/zinc/78/39/97/1035783997.db2.gz SDAQTCRRYCQAOX-HNAYVOBHSA-N 1 3 322.456 3.552 20 0 DHADHO C[C@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1 ZINC000906159546 1035784012 /nfs/dbraw/zinc/78/40/12/1035784012.db2.gz SDAQTCRRYCQAOX-HNAYVOBHSA-N 1 3 322.456 3.552 20 0 DHADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000494747517 1035855605 /nfs/dbraw/zinc/85/56/05/1035855605.db2.gz ICXKUDPFWAKKAL-AOIWGVFYSA-N 1 3 304.478 3.617 20 0 DHADHO CCC(CC)[C@H](CC[NH2+]C1CCN(C2CCCC2)CC1)OC ZINC000540147117 1035984319 /nfs/dbraw/zinc/98/43/19/1035984319.db2.gz OJOBPZOHFPSKCY-IBGZPJMESA-N 1 3 310.526 3.824 20 0 DHADHO CCCCC[N@H+](C)CCC(=O)NCCP(C(C)C)C(C)C ZINC001181868835 1036025183 /nfs/dbraw/zinc/02/51/83/1036025183.db2.gz MZOQSLJYJRJUKF-UHFFFAOYSA-N 1 3 316.470 3.913 20 0 DHADHO CCCCC[N@@H+](C)CCC(=O)NCCP(C(C)C)C(C)C ZINC001181868835 1036025203 /nfs/dbraw/zinc/02/52/03/1036025203.db2.gz MZOQSLJYJRJUKF-UHFFFAOYSA-N 1 3 316.470 3.913 20 0 DHADHO CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1(C)C ZINC000540596396 1036109241 /nfs/dbraw/zinc/10/92/41/1036109241.db2.gz UQSSHKUSNHJXKN-OKZBNKHCSA-N 1 3 310.526 3.680 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000491309404 1036252132 /nfs/dbraw/zinc/25/21/32/1036252132.db2.gz WSMPSWRSNIAHBR-MRXNPFEDSA-N 1 3 313.489 3.655 20 0 DHADHO CC[NH+]1CCC(N[C@H]2CCc3c2cccc3Br)CC1 ZINC000229320239 1036255723 /nfs/dbraw/zinc/25/57/23/1036255723.db2.gz YOEYNBLWNFHDSM-INIZCTEOSA-N 1 3 323.278 3.510 20 0 DHADHO C[C@@H](CCc1ccccc1)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001195537001 1036278888 /nfs/dbraw/zinc/27/88/88/1036278888.db2.gz UHGACPAOSZODBG-SFHVURJKSA-N 1 3 309.457 3.615 20 0 DHADHO C[C@@H](CCc1ccccc1)[N@H+]1CCCN(c2ccncc2)CC1 ZINC001195537001 1036278905 /nfs/dbraw/zinc/27/89/05/1036278905.db2.gz UHGACPAOSZODBG-SFHVURJKSA-N 1 3 309.457 3.615 20 0 DHADHO C[NH+]1CCC2(CCN(CCc3c(F)cccc3Cl)CC2)CC1 ZINC001196789285 1036610076 /nfs/dbraw/zinc/61/00/76/1036610076.db2.gz JVSQTPBGRNVSIL-UHFFFAOYSA-N 1 3 324.871 3.829 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000495413355 1036627577 /nfs/dbraw/zinc/62/75/77/1036627577.db2.gz DUFPQQCGSHOYJX-BPQIPLTHSA-N 1 3 322.537 3.965 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000495413355 1036627583 /nfs/dbraw/zinc/62/75/83/1036627583.db2.gz DUFPQQCGSHOYJX-BPQIPLTHSA-N 1 3 322.537 3.965 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000495421058 1036634662 /nfs/dbraw/zinc/63/46/62/1036634662.db2.gz NMEWJWXDJHICAG-KBAYOESNSA-N 1 3 322.537 3.965 20 0 DHADHO C[C@@H]1C[C@H](NC/C=C/c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000487304914 1036657341 /nfs/dbraw/zinc/65/73/41/1036657341.db2.gz BCYDOAXNNSYKDX-CZBMUTHLSA-N 1 3 321.468 3.738 20 0 DHADHO C[C@@H]1C[C@H](NC/C=C/c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000487304914 1036657351 /nfs/dbraw/zinc/65/73/51/1036657351.db2.gz BCYDOAXNNSYKDX-CZBMUTHLSA-N 1 3 321.468 3.738 20 0 DHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC/C=C/c2ccncc2)C1 ZINC000487332140 1036673634 /nfs/dbraw/zinc/67/36/34/1036673634.db2.gz ZCNXROARDKGUAL-HOQHSMRBSA-N 1 3 307.441 3.520 20 0 DHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC/C=C/c2ccncc2)C1 ZINC000487332140 1036673642 /nfs/dbraw/zinc/67/36/42/1036673642.db2.gz ZCNXROARDKGUAL-HOQHSMRBSA-N 1 3 307.441 3.520 20 0 DHADHO C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000495660048 1036812443 /nfs/dbraw/zinc/81/24/43/1036812443.db2.gz ZYPAQHRHSWUESD-INIZCTEOSA-N 1 3 312.432 3.925 20 0 DHADHO C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000495660048 1036812462 /nfs/dbraw/zinc/81/24/62/1036812462.db2.gz ZYPAQHRHSWUESD-INIZCTEOSA-N 1 3 312.432 3.925 20 0 DHADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)CS1 ZINC000668817877 1036819061 /nfs/dbraw/zinc/81/90/61/1036819061.db2.gz BKDZOJYKXXZPIC-ZACQAIPSSA-N 1 3 310.551 3.618 20 0 DHADHO c1ccc(OCCCC[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000668817990 1036827339 /nfs/dbraw/zinc/82/73/39/1036827339.db2.gz DNZSUBDUTMBRQN-IBGZPJMESA-N 1 3 316.489 3.557 20 0 DHADHO C[C@@H]1CCN(CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC001205296668 1036838566 /nfs/dbraw/zinc/83/85/66/1036838566.db2.gz SHTPZHQEWBATTC-OCCSQVGLSA-N 1 3 315.288 3.843 20 0 DHADHO C[C@@H]1CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1CN ZINC001205296668 1036838583 /nfs/dbraw/zinc/83/85/83/1036838583.db2.gz SHTPZHQEWBATTC-OCCSQVGLSA-N 1 3 315.288 3.843 20 0 DHADHO C[C@@H]1CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1CN ZINC001205296668 1036838602 /nfs/dbraw/zinc/83/86/02/1036838602.db2.gz SHTPZHQEWBATTC-OCCSQVGLSA-N 1 3 315.288 3.843 20 0 DHADHO C[C@@H](C[NH2+]C1CC(c2ccc(F)cc2)C1)CN1CCCCC1 ZINC000237334811 1037005362 /nfs/dbraw/zinc/00/53/62/1037005362.db2.gz RNLCSNVGTYVMLJ-DMKPSLHHSA-N 1 3 304.453 3.783 20 0 DHADHO ClC1(Cl)C[C@H]1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000915714404 1037152758 /nfs/dbraw/zinc/15/27/58/1037152758.db2.gz CRMSCFDUZHGLIF-HNNXBMFYSA-N 1 3 319.320 3.768 20 0 DHADHO c1ccc(C[NH+]2CCCCCC2)c(CNC[C@@H]2CCC=CO2)c1 ZINC000775016350 1037401483 /nfs/dbraw/zinc/40/14/83/1037401483.db2.gz RCJNBGMSTUMERK-FQEVSTJZSA-N 1 3 314.473 3.845 20 0 DHADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000037197244 1037768917 /nfs/dbraw/zinc/76/89/17/1037768917.db2.gz RGOSZZJIEWNRGO-GFCCVEGCSA-N 1 3 311.539 3.987 20 0 DHADHO CCCOc1ccc(C[NH2+]C2CCN(CCC)CC2)c(C)c1 ZINC000189272035 1038125628 /nfs/dbraw/zinc/12/56/28/1038125628.db2.gz YVQRTAXSLFTCQJ-UHFFFAOYSA-N 1 3 304.478 3.748 20 0 DHADHO C/C(=C/c1ccccc1OC(F)F)CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000571813107 1038255873 /nfs/dbraw/zinc/25/58/73/1038255873.db2.gz WFMKCKKRXUOVDB-LTBFUDJGSA-N 1 3 324.415 3.623 20 0 DHADHO C/C(=C/c1ccccc1OC(F)F)CNC[C@@H]1CCC[N@H+](C)C1 ZINC000571813107 1038255883 /nfs/dbraw/zinc/25/58/83/1038255883.db2.gz WFMKCKKRXUOVDB-LTBFUDJGSA-N 1 3 324.415 3.623 20 0 DHADHO CC(C)(C)OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000571865760 1038263340 /nfs/dbraw/zinc/26/33/40/1038263340.db2.gz OOQAHZCBIKGPJZ-LDLYASANSA-N 1 3 316.489 3.587 20 0 DHADHO CC(C)(C)OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000571865760 1038263348 /nfs/dbraw/zinc/26/33/48/1038263348.db2.gz OOQAHZCBIKGPJZ-LDLYASANSA-N 1 3 316.489 3.587 20 0 DHADHO C[C@H]1CCN(Cc2c(F)cccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205603019 1038675518 /nfs/dbraw/zinc/67/55/18/1038675518.db2.gz MUDASNYMBGTBRO-NWDGAFQWSA-N 1 3 318.358 3.651 20 0 DHADHO CSC1(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000574126967 1039407798 /nfs/dbraw/zinc/40/77/98/1039407798.db2.gz IZCGWAZBJKMHKL-QGZVFWFLSA-N 1 3 310.551 3.860 20 0 DHADHO CCCOc1cccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000604771111 1039534214 /nfs/dbraw/zinc/53/42/14/1039534214.db2.gz XNPLJHBQWPIKDH-GOSISDBHSA-N 1 3 306.494 3.931 20 0 DHADHO Cc1ccc(F)c(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000604891070 1039573993 /nfs/dbraw/zinc/57/39/93/1039573993.db2.gz DPTMPJOOOYHRFU-IAGOWNOFSA-N 1 3 306.469 3.982 20 0 DHADHO C[C@@H](c1ccccn1)[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821617 185344049 /nfs/dbraw/zinc/34/40/49/185344049.db2.gz OJXYJPBFYNVZPU-KRWDZBQOSA-N 1 3 324.472 3.776 20 0 DHADHO C[C@@H](c1ccccn1)[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821617 185344050 /nfs/dbraw/zinc/34/40/50/185344050.db2.gz OJXYJPBFYNVZPU-KRWDZBQOSA-N 1 3 324.472 3.776 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000092043284 193145202 /nfs/dbraw/zinc/14/52/02/193145202.db2.gz LBZPVTDAEHCOAU-SFTDATJTSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000092043284 193145203 /nfs/dbraw/zinc/14/52/03/193145203.db2.gz LBZPVTDAEHCOAU-SFTDATJTSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@H]2C[N@H+](Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000092043284 193145204 /nfs/dbraw/zinc/14/52/04/193145204.db2.gz LBZPVTDAEHCOAU-SFTDATJTSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000092043284 193145205 /nfs/dbraw/zinc/14/52/05/193145205.db2.gz LBZPVTDAEHCOAU-SFTDATJTSA-N 1 3 321.468 3.665 20 0 DHADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000020023791 182179656 /nfs/dbraw/zinc/17/96/56/182179656.db2.gz VKTBNAQNENPMGN-GFCCVEGCSA-N 1 3 302.384 3.944 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(SC(F)F)cc1 ZINC000275611299 130348228 /nfs/dbraw/zinc/34/82/28/130348228.db2.gz LNVZMAQUPDMVHR-SWLSCSKDSA-N 1 3 314.445 3.773 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(SC(F)F)cc1 ZINC000275611299 130348230 /nfs/dbraw/zinc/34/82/30/130348230.db2.gz LNVZMAQUPDMVHR-SWLSCSKDSA-N 1 3 314.445 3.773 20 0 DHADHO COCc1cccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340185760 131020891 /nfs/dbraw/zinc/02/08/91/131020891.db2.gz PCPUQKZLOLAJOW-RTWAWAEBSA-N 1 3 324.468 3.758 20 0 DHADHO COCc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000340185760 131020893 /nfs/dbraw/zinc/02/08/93/131020893.db2.gz PCPUQKZLOLAJOW-RTWAWAEBSA-N 1 3 324.468 3.758 20 0 DHADHO C[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C(C)(C)C ZINC000284232910 131061175 /nfs/dbraw/zinc/06/11/75/131061175.db2.gz DMYXTFAEZXUKKW-OAHLLOKOSA-N 1 3 304.478 3.684 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccccc1C(F)(F)F)C2 ZINC000285381834 131162582 /nfs/dbraw/zinc/16/25/82/131162582.db2.gz CUNQOOBQHKMQBN-YIONKMFJSA-N 1 3 312.379 3.762 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccccc1C(F)(F)F)C2 ZINC000285381834 131162583 /nfs/dbraw/zinc/16/25/83/131162583.db2.gz CUNQOOBQHKMQBN-YIONKMFJSA-N 1 3 312.379 3.762 20 0 DHADHO C[C@H](c1ccccn1)[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285614893 131186410 /nfs/dbraw/zinc/18/64/10/131186410.db2.gz QHLIZXZCHZWVBJ-NQIIRXRSSA-N 1 3 321.468 3.741 20 0 DHADHO C[C@H](c1ccccn1)[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285614893 131186412 /nfs/dbraw/zinc/18/64/12/131186412.db2.gz QHLIZXZCHZWVBJ-NQIIRXRSSA-N 1 3 321.468 3.741 20 0 DHADHO Cc1ccnc([C@@H](C)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000286091769 131219194 /nfs/dbraw/zinc/21/91/94/131219194.db2.gz MUPAOCVYIILDBJ-GOSISDBHSA-N 1 3 323.484 3.953 20 0 DHADHO Cc1ccncc1CCC[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000289305953 131372224 /nfs/dbraw/zinc/37/22/24/131372224.db2.gz RNHWOACTPILMAI-UHFFFAOYSA-N 1 3 315.505 3.567 20 0 DHADHO Cc1ccncc1CCCNC1CC[NH+](CC2CCCC2)CC1 ZINC000289305953 131372225 /nfs/dbraw/zinc/37/22/25/131372225.db2.gz RNHWOACTPILMAI-UHFFFAOYSA-N 1 3 315.505 3.567 20 0 DHADHO Clc1ccccc1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298263014 132052896 /nfs/dbraw/zinc/05/28/96/132052896.db2.gz FVPXXXZRGGHYRA-UHFFFAOYSA-N 1 3 315.848 3.536 20 0 DHADHO c1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298385950 132060285 /nfs/dbraw/zinc/06/02/85/132060285.db2.gz LFXYEFZLTJLCGX-GOSISDBHSA-N 1 3 321.468 3.760 20 0 DHADHO c1ccc([C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000298490881 132065367 /nfs/dbraw/zinc/06/53/67/132065367.db2.gz PYBMAXABKUWSDT-HXUWFJFHSA-N 1 3 307.441 3.791 20 0 DHADHO CCc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000533713090 331661023 /nfs/dbraw/zinc/66/10/23/331661023.db2.gz ZHMAMBJILVKAMD-QGZVFWFLSA-N 1 3 323.484 3.965 20 0 DHADHO CCc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000533713082 331661065 /nfs/dbraw/zinc/66/10/65/331661065.db2.gz ZHMAMBJILVKAMD-KRWDZBQOSA-N 1 3 323.484 3.965 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@H]3CCCSC3)CC2)C1 ZINC000558238218 331886142 /nfs/dbraw/zinc/88/61/42/331886142.db2.gz PHBDMCGNIVRSEI-SOLBZPMBSA-N 1 3 310.551 3.762 20 0 DHADHO CCc1nc(C(C)C)ccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000559049037 331968217 /nfs/dbraw/zinc/96/82/17/331968217.db2.gz ACJWGYSJJZUMKO-UHFFFAOYSA-N 1 3 317.521 3.931 20 0 DHADHO C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)N1CCCC[C@H]1C ZINC000584251250 332013985 /nfs/dbraw/zinc/01/39/85/332013985.db2.gz FYNPDZIJZZQLNT-QZTJIDSGSA-N 1 3 321.553 3.636 20 0 DHADHO C[N@@H+]1CCC[C@]2(CCN(CCCOc3ccc(Cl)cc3)C2)C1 ZINC000559312526 332023818 /nfs/dbraw/zinc/02/38/18/332023818.db2.gz VTTFDKKVXHSLRZ-SFHVURJKSA-N 1 3 322.880 3.527 20 0 DHADHO C[N@H+]1CCC[C@]2(CCN(CCCOc3ccc(Cl)cc3)C2)C1 ZINC000559312526 332023819 /nfs/dbraw/zinc/02/38/19/332023819.db2.gz VTTFDKKVXHSLRZ-SFHVURJKSA-N 1 3 322.880 3.527 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000518398059 332025380 /nfs/dbraw/zinc/02/53/80/332025380.db2.gz ZDKQYUMKEVKWMP-GJZGRUSLSA-N 1 3 312.379 3.597 20 0 DHADHO N[C@H]1CCC[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000518398059 332025381 /nfs/dbraw/zinc/02/53/81/332025381.db2.gz ZDKQYUMKEVKWMP-GJZGRUSLSA-N 1 3 312.379 3.597 20 0 DHADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000518501871 332068352 /nfs/dbraw/zinc/06/83/52/332068352.db2.gz BNASNSTVFMBHGD-LJQANCHMSA-N 1 3 316.489 3.830 20 0 DHADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426048851 335095518 /nfs/dbraw/zinc/09/55/18/335095518.db2.gz JPOQIGKLUVMUPC-RDJZCZTQSA-N 1 3 318.461 3.749 20 0 DHADHO CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)c2ccc(Cl)cc2)C1 ZINC000531104899 332263873 /nfs/dbraw/zinc/26/38/73/332263873.db2.gz RAJUBJPURLMPNG-CRAIPNDOSA-N 1 3 324.896 3.834 20 0 DHADHO CC(C)[N@H+](C)CC1CCN(CCCC(=O)c2ccccc2)CC1 ZINC000583421911 332398630 /nfs/dbraw/zinc/39/86/30/332398630.db2.gz PAQNPUYTANODBI-UHFFFAOYSA-N 1 3 316.489 3.702 20 0 DHADHO CC(C)[N@@H+](C)CC1CCN(CCCC(=O)c2ccccc2)CC1 ZINC000583421911 332398631 /nfs/dbraw/zinc/39/86/31/332398631.db2.gz PAQNPUYTANODBI-UHFFFAOYSA-N 1 3 316.489 3.702 20 0 DHADHO C[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1nccs1 ZINC000179407888 333025148 /nfs/dbraw/zinc/02/51/48/333025148.db2.gz AHLLIENGHSEFCX-OAHLLOKOSA-N 1 3 315.486 3.706 20 0 DHADHO COc1ccc2cc(CNC3CC[NH+](C4CC4)CC3)ccc2c1 ZINC000055043148 333358087 /nfs/dbraw/zinc/35/80/87/333358087.db2.gz CVCGLTKVUWDZMW-UHFFFAOYSA-N 1 3 310.441 3.565 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)C1 ZINC000187023544 333384349 /nfs/dbraw/zinc/38/43/49/333384349.db2.gz BVRPCOOEWGGILA-NVXWUHKLSA-N 1 3 304.503 3.772 20 0 DHADHO C[C@@H]1C[C@H](N[C@H]2CCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000311717432 333388084 /nfs/dbraw/zinc/38/80/84/333388084.db2.gz LGIVEGKUQACHKC-XFJVYGCCSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H]1C[C@H](N[C@H]2CCc3ccc(Br)cc32)CC[N@H+]1C ZINC000311717432 333388086 /nfs/dbraw/zinc/38/80/86/333388086.db2.gz LGIVEGKUQACHKC-XFJVYGCCSA-N 1 3 323.278 3.509 20 0 DHADHO CC(C)CCOCCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390788167 333393536 /nfs/dbraw/zinc/39/35/36/333393536.db2.gz DAUMYUGQWGKIEA-UYAOXDASSA-N 1 3 318.505 3.549 20 0 DHADHO CC(C)CCOCCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390788167 333393538 /nfs/dbraw/zinc/39/35/38/333393538.db2.gz DAUMYUGQWGKIEA-UYAOXDASSA-N 1 3 318.505 3.549 20 0 DHADHO FC(F)(F)c1ccccc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000563135596 333395572 /nfs/dbraw/zinc/39/55/72/333395572.db2.gz RKQFQBQJYSGNDY-AWEZNQCLSA-N 1 3 312.379 3.527 20 0 DHADHO CN(c1ccccc1C[NH2+]CCC(C)(C)C)C1CCN(C)CC1 ZINC000531597483 333539478 /nfs/dbraw/zinc/53/94/78/333539478.db2.gz WWZJKQSAZCQRCA-UHFFFAOYSA-N 1 3 317.521 3.743 20 0 DHADHO COCC1CCC([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000414310253 333937251 /nfs/dbraw/zinc/93/72/51/333937251.db2.gz KTGBENXEIKSOFP-KMEYYKJISA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H](CN(C)[C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414731107 334075349 /nfs/dbraw/zinc/07/53/49/334075349.db2.gz FDXUGRVMASILEK-CJNGLKHVSA-N 1 3 314.395 3.883 20 0 DHADHO C[C@H](C[N@H+](C)[C@H]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414731107 334075350 /nfs/dbraw/zinc/07/53/50/334075350.db2.gz FDXUGRVMASILEK-CJNGLKHVSA-N 1 3 314.395 3.883 20 0 DHADHO C[C@H](C[N@@H+](C)[C@H]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414731107 334075352 /nfs/dbraw/zinc/07/53/52/334075352.db2.gz FDXUGRVMASILEK-CJNGLKHVSA-N 1 3 314.395 3.883 20 0 DHADHO C[C@@H]1C[C@H](CN2CCCC[C@@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC000414755055 334085578 /nfs/dbraw/zinc/08/55/78/334085578.db2.gz OOQXVHDYDMWARC-HBUWYVDXSA-N 1 3 308.416 3.880 20 0 DHADHO FC(F)(F)c1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414777293 334092177 /nfs/dbraw/zinc/09/21/77/334092177.db2.gz HZEPQUYNELCWHA-NEPJUHHUSA-N 1 3 318.408 3.588 20 0 DHADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414791348 334098075 /nfs/dbraw/zinc/09/80/75/334098075.db2.gz HSXBUYJOJZAREV-GWCFXTLKSA-N 1 3 306.759 3.576 20 0 DHADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414791353 334098103 /nfs/dbraw/zinc/09/81/03/334098103.db2.gz HSXBUYJOJZAREV-ZWNOBZJWSA-N 1 3 306.759 3.576 20 0 DHADHO CC(C)[C@H](N)C[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414792591 334098527 /nfs/dbraw/zinc/09/85/27/334098527.db2.gz JDPOGFLMEKVFCD-DFOOEPSASA-N 1 3 324.468 3.852 20 0 DHADHO CC(C)[C@@H](N)C[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414792593 334098576 /nfs/dbraw/zinc/09/85/76/334098576.db2.gz JDPOGFLMEKVFCD-JLXBBBJOSA-N 1 3 324.468 3.852 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414793542 334098708 /nfs/dbraw/zinc/09/87/08/334098708.db2.gz DRMRMSGAYJMVLI-IVMMDQJWSA-N 1 3 314.395 3.744 20 0 DHADHO COc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1Cl ZINC000414811966 334105163 /nfs/dbraw/zinc/10/51/63/334105163.db2.gz QKJSQSPZUHVTDZ-GFCCVEGCSA-N 1 3 304.821 3.658 20 0 DHADHO Cc1ccc(-c2n[nH]cc2CNCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414815645 334106654 /nfs/dbraw/zinc/10/66/54/334106654.db2.gz XWUAZSNLJIYKKM-OAHLLOKOSA-N 1 3 320.440 3.695 20 0 DHADHO CCCC[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414816543 334107279 /nfs/dbraw/zinc/10/72/79/334107279.db2.gz PYYUKMXLUXSSCV-CRAIPNDOSA-N 1 3 319.493 3.634 20 0 DHADHO COc1ccc(C2CCC([NH2+][C@H](C)[C@H]3CCCNC3)CC2)cc1 ZINC000414862337 334133284 /nfs/dbraw/zinc/13/32/84/334133284.db2.gz XIEIEUQUDHLGCY-ZJZKXORJSA-N 1 3 316.489 3.699 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414905620 334168955 /nfs/dbraw/zinc/16/89/55/334168955.db2.gz LOXNIKUEHDGSEI-CJNGLKHVSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414905620 334168956 /nfs/dbraw/zinc/16/89/56/334168956.db2.gz LOXNIKUEHDGSEI-CJNGLKHVSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](N)C1)c1ccc(C(F)(F)F)cc1 ZINC000414920789 334181116 /nfs/dbraw/zinc/18/11/16/334181116.db2.gz ZGIGERYPAKOUTQ-KCPJHIHWSA-N 1 3 300.368 3.668 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCCc2cc(N)ccc21 ZINC000414927791 334190030 /nfs/dbraw/zinc/19/00/30/334190030.db2.gz MLIJTECDHXPNIY-LSBZLQRGSA-N 1 3 301.478 3.547 20 0 DHADHO N[C@@H]1CCC[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000414932189 334195327 /nfs/dbraw/zinc/19/53/27/334195327.db2.gz VMQUTVQFHLJLDD-VXGBXAGGSA-N 1 3 301.261 3.786 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCCCc2c(Cl)cccc2Cl)C1 ZINC000414932189 334195329 /nfs/dbraw/zinc/19/53/29/334195329.db2.gz VMQUTVQFHLJLDD-VXGBXAGGSA-N 1 3 301.261 3.786 20 0 DHADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)CCN1 ZINC000414943974 334203437 /nfs/dbraw/zinc/20/34/37/334203437.db2.gz FZYMWDOHUKMWKC-SWLSCSKDSA-N 1 3 304.434 3.784 20 0 DHADHO C[C@H]1CNCC[C@@H]1[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000414945826 334204954 /nfs/dbraw/zinc/20/49/54/334204954.db2.gz SFHWUYCYMUBFLR-LRDDRELGSA-N 1 3 315.288 3.904 20 0 DHADHO CC1([NH2+]Cc2ccc(-c3ccccc3F)s2)CCNCC1 ZINC000414946071 334205239 /nfs/dbraw/zinc/20/52/39/334205239.db2.gz SKUGLXLOMUXXRZ-UHFFFAOYSA-N 1 3 304.434 3.786 20 0 DHADHO C[C@H](C[NH2+]C1(C)CCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414947576 334205591 /nfs/dbraw/zinc/20/55/91/334205591.db2.gz WUDCZNKAVFKBJT-GFCCVEGCSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@H](CNC1(C)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414947576 334205592 /nfs/dbraw/zinc/20/55/92/334205592.db2.gz WUDCZNKAVFKBJT-GFCCVEGCSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@H](CC[NH2+]C[C@@H]1CCCNC1)c1cccc(C(F)(F)F)c1 ZINC000415083836 334272464 /nfs/dbraw/zinc/27/24/64/334272464.db2.gz FVFOJZHJQCSRTM-ZIAGYGMSSA-N 1 3 314.395 3.788 20 0 DHADHO C[C@H](CCNC[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415083836 334272466 /nfs/dbraw/zinc/27/24/66/334272466.db2.gz FVFOJZHJQCSRTM-ZIAGYGMSSA-N 1 3 314.395 3.788 20 0 DHADHO C[C@H](CN[C@H]1CCC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000414955606 334208022 /nfs/dbraw/zinc/20/80/22/334208022.db2.gz OSFFEASNJUPSSG-XUJVJEKNSA-N 1 3 300.368 3.539 20 0 DHADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCN1 ZINC000414955767 334208304 /nfs/dbraw/zinc/20/83/04/334208304.db2.gz UOGRZDLIKDXPKY-WFASDCNBSA-N 1 3 304.434 3.784 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)CCN1 ZINC000414961282 334212746 /nfs/dbraw/zinc/21/27/46/334212746.db2.gz YSETWARPLBBATL-XLIONFOSSA-N 1 3 308.469 3.571 20 0 DHADHO c1ccc2c(c1)cccc2OCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415082279 334273126 /nfs/dbraw/zinc/27/31/26/334273126.db2.gz DBHBUCSUCJTKST-XUVXKRRUSA-N 1 3 324.468 3.729 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCCNC1)C(c1ccccc1)c1ccccc1 ZINC000415082301 334273177 /nfs/dbraw/zinc/27/31/77/334273177.db2.gz DDKPCHDXBQDBEA-MSOLQXFVSA-N 1 3 308.469 3.796 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)C(c1ccccc1)c1ccccc1 ZINC000415082304 334273349 /nfs/dbraw/zinc/27/33/49/334273349.db2.gz DDKPCHDXBQDBEA-ZWKOTPCHSA-N 1 3 308.469 3.796 20 0 DHADHO CC1CCC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000415004491 334244481 /nfs/dbraw/zinc/24/44/81/334244481.db2.gz OFZFEXUEJHLGOG-ZPGGLAACSA-N 1 3 304.453 3.687 20 0 DHADHO C[C@@H](CCCC[NH3+])NCc1ccc(Cl)cc1Br ZINC000415009218 334252437 /nfs/dbraw/zinc/25/24/37/334252437.db2.gz FBTQWVXKINJUJQ-JTQLQIEISA-N 1 3 319.674 3.710 20 0 DHADHO C[C@H](CCCC[NH3+])NCc1cc(Cl)ccc1OCC1CC1 ZINC000415017938 334258960 /nfs/dbraw/zinc/25/89/60/334258960.db2.gz STKLZEVJMQFYTF-CYBMUJFWSA-N 1 3 310.869 3.736 20 0 DHADHO C[C@@H](CCCC[NH3+])NCc1ccc(Br)cc1Cl ZINC000415018153 334259133 /nfs/dbraw/zinc/25/91/33/334259133.db2.gz TWPOWIBKPKSXDX-JTQLQIEISA-N 1 3 319.674 3.710 20 0 DHADHO c1ccc(-c2cccc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)nc1 ZINC000415033830 334260242 /nfs/dbraw/zinc/26/02/42/334260242.db2.gz CCGFTSDVNZLTJN-PZJWPPBQSA-N 1 3 321.468 3.713 20 0 DHADHO CSc1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415059198 334261906 /nfs/dbraw/zinc/26/19/06/334261906.db2.gz URVPASQOQHVDHK-GOSISDBHSA-N 1 3 300.471 3.978 20 0 DHADHO c1ccc(OCCCCCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415059914 334262119 /nfs/dbraw/zinc/26/21/19/334262119.db2.gz XXNWDHGBQROBAT-ICSRJNTNSA-N 1 3 316.489 3.700 20 0 DHADHO C[C@H](CCCC[NH3+])NCc1csc(-c2ccc(F)cc2)n1 ZINC000415071287 334264059 /nfs/dbraw/zinc/26/40/59/334264059.db2.gz ZCPSAUXDTUURGF-GFCCVEGCSA-N 1 3 307.438 3.556 20 0 DHADHO CC(C)CN1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000187650948 334266782 /nfs/dbraw/zinc/26/67/82/334266782.db2.gz ANGMBDBJHRZABL-UHFFFAOYSA-N 1 3 318.505 3.946 20 0 DHADHO CC(C)C[C@@H]([NH3+])CN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000415073743 334267471 /nfs/dbraw/zinc/26/74/71/334267471.db2.gz BKRFTHJEEMQVJZ-SWLSCSKDSA-N 1 3 302.384 3.599 20 0 DHADHO C[C@H](CC[NH2+]C1CCNCC1)c1cccc(C(F)(F)F)c1 ZINC000415076861 334268150 /nfs/dbraw/zinc/26/81/50/334268150.db2.gz BODWSDMSCLNBCO-GFCCVEGCSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@H](CCNC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415076861 334268151 /nfs/dbraw/zinc/26/81/51/334268151.db2.gz BODWSDMSCLNBCO-GFCCVEGCSA-N 1 3 300.368 3.541 20 0 DHADHO CC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1C ZINC000415077289 334268492 /nfs/dbraw/zinc/26/84/92/334268492.db2.gz HGTODWHNKIAKEL-YDZRNGNQSA-N 1 3 316.489 3.663 20 0 DHADHO COc1ccccc1SC[C@H](C)CN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415080139 334269786 /nfs/dbraw/zinc/26/97/86/334269786.db2.gz LCEIOUAUAGZJTO-PMPSAXMXSA-N 1 3 322.518 3.544 20 0 DHADHO COc1ccccc1SC[C@H](C)CN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415080137 334269820 /nfs/dbraw/zinc/26/98/20/334269820.db2.gz LCEIOUAUAGZJTO-OWCLPIDISA-N 1 3 322.518 3.544 20 0 DHADHO COc1ccc(-c2ccc(CN[C@@H]3CCC[NH2+]CC3)s2)cc1 ZINC000415112337 334281963 /nfs/dbraw/zinc/28/19/63/334281963.db2.gz RSSXCUKNSWNKND-OAHLLOKOSA-N 1 3 316.470 3.655 20 0 DHADHO CN(C)Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000531943626 334299970 /nfs/dbraw/zinc/29/99/70/334299970.db2.gz KYWYOHZRPXJQSZ-OAQYLSRUSA-N 1 3 308.469 3.859 20 0 DHADHO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000531956309 334307720 /nfs/dbraw/zinc/30/77/20/334307720.db2.gz UYSMBANTPQVTQH-RYRKJORJSA-N 1 3 304.478 3.856 20 0 DHADHO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000531956308 334307936 /nfs/dbraw/zinc/30/79/36/334307936.db2.gz UYSMBANTPQVTQH-NUJGCVRESA-N 1 3 304.478 3.856 20 0 DHADHO CCC[NH+]1CCC(CN[C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000531959798 334316046 /nfs/dbraw/zinc/31/60/46/334316046.db2.gz QPXOLSPBPPHNQC-INIZCTEOSA-N 1 3 304.478 3.776 20 0 DHADHO CN1CCC[C@H]1CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000535050757 334360432 /nfs/dbraw/zinc/36/04/32/334360432.db2.gz OWLMTDVPTAYIEO-SFHVURJKSA-N 1 3 308.510 3.532 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2cncc(C)c2)CC1 ZINC000190014076 334920824 /nfs/dbraw/zinc/92/08/24/334920824.db2.gz DNJFJHGTDMNMAA-UHFFFAOYSA-N 1 3 303.494 3.724 20 0 DHADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1oc2ccccc2c1C ZINC000165966102 335294872 /nfs/dbraw/zinc/29/48/72/335294872.db2.gz QBVLGRNOYBATBJ-HOTGVXAUSA-N 1 3 318.461 3.749 20 0 DHADHO CCc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000347848789 335528529 /nfs/dbraw/zinc/52/85/29/335528529.db2.gz IPRDZARFSWCEMW-UHFFFAOYSA-N 1 3 315.505 3.732 20 0 DHADHO COCC[C@H]1CCC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000367086628 335660260 /nfs/dbraw/zinc/66/02/60/335660260.db2.gz MBDLKPRBLVDPOE-UYAOXDASSA-N 1 3 322.537 3.826 20 0 DHADHO COc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000536696043 335863505 /nfs/dbraw/zinc/86/35/05/335863505.db2.gz RIYNQFRBEWYHLO-UHFFFAOYSA-N 1 3 304.478 3.557 20 0 DHADHO c1ccc(CSCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000192544775 336075607 /nfs/dbraw/zinc/07/56/07/336075607.db2.gz CJZURCQVDPYCCR-UHFFFAOYSA-N 1 3 318.530 3.728 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000514099836 336304529 /nfs/dbraw/zinc/30/45/29/336304529.db2.gz RISBIVPGVXAXMT-KBRIMQKVSA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000514099836 336304530 /nfs/dbraw/zinc/30/45/30/336304530.db2.gz RISBIVPGVXAXMT-KBRIMQKVSA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000514099836 336304531 /nfs/dbraw/zinc/30/45/31/336304531.db2.gz RISBIVPGVXAXMT-KBRIMQKVSA-N 1 3 308.416 3.502 20 0 DHADHO CCc1c(C)nc2ccccc2c1N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000302028767 336344095 /nfs/dbraw/zinc/34/40/95/336344095.db2.gz JDYWLTICYILWBC-MRXNPFEDSA-N 1 3 311.473 3.884 20 0 DHADHO CCc1c(C)nc2ccccc2c1N1CC[C@H](C[N@H+](C)CC)C1 ZINC000302028767 336344096 /nfs/dbraw/zinc/34/40/96/336344096.db2.gz JDYWLTICYILWBC-MRXNPFEDSA-N 1 3 311.473 3.884 20 0 DHADHO CCc1c(C)nc2ccccc2c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000302037218 336344716 /nfs/dbraw/zinc/34/47/16/336344716.db2.gz MJQCBYOTCLACLX-MRXNPFEDSA-N 1 3 309.457 3.780 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000514104549 336352228 /nfs/dbraw/zinc/35/22/28/336352228.db2.gz KSOUJFIQRDMXHU-JYJNAYRXSA-N 1 3 312.379 3.668 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000514104549 336352229 /nfs/dbraw/zinc/35/22/29/336352229.db2.gz KSOUJFIQRDMXHU-JYJNAYRXSA-N 1 3 312.379 3.668 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000514104549 336352230 /nfs/dbraw/zinc/35/22/30/336352230.db2.gz KSOUJFIQRDMXHU-JYJNAYRXSA-N 1 3 312.379 3.668 20 0 DHADHO Cc1cc(N(C)CCC2CCN(c3ccncc3)CC2)cc[nH+]1 ZINC000302378209 336357816 /nfs/dbraw/zinc/35/78/16/336357816.db2.gz DFWWDEODXYTRAH-UHFFFAOYSA-N 1 3 310.445 3.528 20 0 DHADHO Cc1cc(NC[C@H]2CCCN(Cc3cccs3)C2)cc[nH+]1 ZINC000302567185 336361793 /nfs/dbraw/zinc/36/17/93/336361793.db2.gz NTSPDWABSGMZHH-OAHLLOKOSA-N 1 3 301.459 3.776 20 0 DHADHO CO[C@H](C)[C@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000360707871 336719890 /nfs/dbraw/zinc/71/98/90/336719890.db2.gz OHAMPMSFWRXPOQ-DLBZAZTESA-N 1 3 304.478 3.576 20 0 DHADHO CC[NH+]1CCC(CCN[C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000121678883 336970325 /nfs/dbraw/zinc/97/03/25/336970325.db2.gz GQAXEETXWDPMFU-SFHVURJKSA-N 1 3 320.452 3.751 20 0 DHADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC[N@@H+]1C ZINC000122975217 337031242 /nfs/dbraw/zinc/03/12/42/337031242.db2.gz GZTUQFYYDUVMAO-SUYBPPKGSA-N 1 3 324.415 3.738 20 0 DHADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC[N@H+]1C ZINC000122975217 337031243 /nfs/dbraw/zinc/03/12/43/337031243.db2.gz GZTUQFYYDUVMAO-SUYBPPKGSA-N 1 3 324.415 3.738 20 0 DHADHO c1ccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)cc1 ZINC000377330820 337050658 /nfs/dbraw/zinc/05/06/58/337050658.db2.gz OLQKSUZFTJVZQC-UHFFFAOYSA-N 1 3 321.468 3.570 20 0 DHADHO Cc1cc(CNC[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc(C)c1O ZINC000377617242 337056395 /nfs/dbraw/zinc/05/63/95/337056395.db2.gz AFXOJKBPKZEJPP-WOJBJXKFSA-N 1 3 324.468 3.792 20 0 DHADHO Cc1cc(CNC[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc(C)c1O ZINC000377617242 337056396 /nfs/dbraw/zinc/05/63/96/337056396.db2.gz AFXOJKBPKZEJPP-WOJBJXKFSA-N 1 3 324.468 3.792 20 0 DHADHO CSC1(C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CCC1 ZINC000193811799 337080242 /nfs/dbraw/zinc/08/02/42/337080242.db2.gz SRJZHZAFPPVCTM-OAHLLOKOSA-N 1 3 322.518 3.563 20 0 DHADHO CC[NH+](CC)CCC[C@H](C)NCc1nc(-c2ccccc2)c[nH]1 ZINC000194216791 337082941 /nfs/dbraw/zinc/08/29/41/337082941.db2.gz KKUWAXCBEOCPOF-INIZCTEOSA-N 1 3 314.477 3.677 20 0 DHADHO C[C@@H]1C[C@@H]1c1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000582472032 337095364 /nfs/dbraw/zinc/09/53/64/337095364.db2.gz XUXITXSXNFJOAP-KDOFPFPSSA-N 1 3 311.429 3.557 20 0 DHADHO Fc1cccc(CN(Cc2ccc3c(c2)C[NH2+]CC3)C2CC2)c1 ZINC000582671193 337119097 /nfs/dbraw/zinc/11/90/97/337119097.db2.gz JYXGBIGNDLEWHJ-UHFFFAOYSA-N 1 3 310.416 3.636 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccncc1 ZINC000174158187 337139606 /nfs/dbraw/zinc/13/96/06/337139606.db2.gz NGWPLSGPPNTKKL-LESCRADOSA-N 1 3 315.486 3.877 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccncc1 ZINC000174158187 337139607 /nfs/dbraw/zinc/13/96/07/337139607.db2.gz NGWPLSGPPNTKKL-LESCRADOSA-N 1 3 315.486 3.877 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000178413162 337164430 /nfs/dbraw/zinc/16/44/30/337164430.db2.gz QZQDSXPVGDKQON-HUUCEWRRSA-N 1 3 317.502 3.864 20 0 DHADHO C[C@@H](NCCC[NH+]1CCCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000178413162 337164431 /nfs/dbraw/zinc/16/44/31/337164431.db2.gz QZQDSXPVGDKQON-HUUCEWRRSA-N 1 3 317.502 3.864 20 0 DHADHO FC1(F)CCC(CN2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000459333206 337170664 /nfs/dbraw/zinc/17/06/64/337170664.db2.gz ARVGZWKAWSUNAC-MRXNPFEDSA-N 1 3 300.437 3.762 20 0 DHADHO C[C@H]1C[C@H](NCCc2nc(C3CCCCC3)cs2)CC[N@@H+]1C ZINC000181016102 337179163 /nfs/dbraw/zinc/17/91/63/337179163.db2.gz SVRGVQFNJMVVPP-GOEBONIOSA-N 1 3 321.534 3.806 20 0 DHADHO C[C@H]1C[C@H](NCCc2nc(C3CCCCC3)cs2)CC[N@H+]1C ZINC000181016102 337179164 /nfs/dbraw/zinc/17/91/64/337179164.db2.gz SVRGVQFNJMVVPP-GOEBONIOSA-N 1 3 321.534 3.806 20 0 DHADHO CN1CC=C(C[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000392202214 337182689 /nfs/dbraw/zinc/18/26/89/337182689.db2.gz ZPIZBKOUOUSDFI-UHFFFAOYSA-N 1 3 306.453 3.670 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C12CCC2 ZINC000183198479 337190250 /nfs/dbraw/zinc/19/02/50/337190250.db2.gz XCTLADPRJCRXPL-OGWHTMIXSA-N 1 3 320.521 3.577 20 0 DHADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000469853692 337195458 /nfs/dbraw/zinc/19/54/58/337195458.db2.gz KONVNAJXMVCMBZ-OLZOCXBDSA-N 1 3 304.434 3.723 20 0 DHADHO C/C(=C/c1ccccc1OC(F)F)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000584439451 337325795 /nfs/dbraw/zinc/32/57/95/337325795.db2.gz WKXTZKSSCFOOEN-YYKIQEHNSA-N 1 3 324.415 3.764 20 0 DHADHO C/C(=C/c1ccccc1OC(F)F)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000584439451 337325796 /nfs/dbraw/zinc/32/57/96/337325796.db2.gz WKXTZKSSCFOOEN-YYKIQEHNSA-N 1 3 324.415 3.764 20 0 DHADHO Clc1cccc2c1CC[C@@H]2N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420306223 337499051 /nfs/dbraw/zinc/49/90/51/337499051.db2.gz ACBXQJQJXRDFDW-KDOFPFPSSA-N 1 3 304.865 3.649 20 0 DHADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422700588 337683492 /nfs/dbraw/zinc/68/34/92/337683492.db2.gz AHIPPDNDHHNPOM-QAPCUYQASA-N 1 3 311.473 3.911 20 0 DHADHO Clc1cccc(C2(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422769301 337685773 /nfs/dbraw/zinc/68/57/73/337685773.db2.gz ONZMYCHUWNSXIX-RCCFBDPRSA-N 1 3 318.892 3.882 20 0 DHADHO CCc1ccccc1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422785572 337686658 /nfs/dbraw/zinc/68/66/58/337686658.db2.gz PLPCVYUXAZWKHP-CTNGQTDRSA-N 1 3 322.452 3.595 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)Sc1ccccc1 ZINC000422794932 337686982 /nfs/dbraw/zinc/68/69/82/337686982.db2.gz UUOITSYNUDOOBL-KBPBESRZSA-N 1 3 315.486 3.680 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000422801703 337687424 /nfs/dbraw/zinc/68/74/24/337687424.db2.gz AEVZKHDIEGHWTE-YWZLYKJASA-N 1 3 311.473 3.939 20 0 DHADHO [NH3+][C@@H]1C[C@H](N[C@@H](CN2CCCC2)c2ccccc2)c2ccccc21 ZINC000422808001 337687525 /nfs/dbraw/zinc/68/75/25/337687525.db2.gz PQIFBSDZCOEPEB-HKBOAZHASA-N 1 3 321.468 3.558 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000422811671 337687722 /nfs/dbraw/zinc/68/77/22/337687722.db2.gz VBIUAZIFLOGVAS-WTGUMLROSA-N 1 3 316.489 3.570 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422837803 337688636 /nfs/dbraw/zinc/68/86/36/337688636.db2.gz MWEZMDFVAHMSKH-GJZGRUSLSA-N 1 3 310.441 3.504 20 0 DHADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(COCc2ccccc2)c1 ZINC000422860535 337689150 /nfs/dbraw/zinc/68/91/50/337689150.db2.gz LMELUPUVFFRENA-IAGOWNOFSA-N 1 3 312.457 3.619 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc(COCc2ccccc2)c1 ZINC000422860537 337689153 /nfs/dbraw/zinc/68/91/53/337689153.db2.gz LMELUPUVFFRENA-SJORKVTESA-N 1 3 312.457 3.619 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422888563 337690177 /nfs/dbraw/zinc/69/01/77/337690177.db2.gz NIHMPVAJKCSRNT-CORIIIEPSA-N 1 3 315.288 3.902 20 0 DHADHO c1ccc(CC2(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422926450 337691837 /nfs/dbraw/zinc/69/18/37/337691837.db2.gz DAHMXTDKNYLYPT-HSALFYBXSA-N 1 3 312.501 3.910 20 0 DHADHO CC(C)c1ccccc1OCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422957584 337694859 /nfs/dbraw/zinc/69/48/59/337694859.db2.gz NMBMOWNUVHOQIF-QRVBRYPASA-N 1 3 316.489 3.699 20 0 DHADHO CC(C)c1ccccc1OCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422957582 337694890 /nfs/dbraw/zinc/69/48/90/337694890.db2.gz NMBMOWNUVHOQIF-IPMKNSEASA-N 1 3 316.489 3.699 20 0 DHADHO CC(C)c1ccccc1OCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422957583 337694925 /nfs/dbraw/zinc/69/49/25/337694925.db2.gz NMBMOWNUVHOQIF-OTWHNJEPSA-N 1 3 316.489 3.699 20 0 DHADHO Cc1ccccc1[C@H]([C@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21)N(C)C ZINC000423060295 337697696 /nfs/dbraw/zinc/69/76/96/337697696.db2.gz OBULKWRDZYGJGQ-ZFCZOSEKSA-N 1 3 323.484 3.721 20 0 DHADHO Fc1ccc([C@@H]2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423080480 337698638 /nfs/dbraw/zinc/69/86/38/337698638.db2.gz AHCAOLISUQWPCP-QDGKJQRMSA-N 1 3 316.464 3.972 20 0 DHADHO Cc1c2cc(Cl)ccc2sc1CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000423095994 337699203 /nfs/dbraw/zinc/69/92/03/337699203.db2.gz GUTJJVMOIUWNAR-NEPJUHHUSA-N 1 3 308.878 3.951 20 0 DHADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1ccc(Br)cc1F ZINC000423107931 337699633 /nfs/dbraw/zinc/69/96/33/337699633.db2.gz LQIFUOSLPZWGMC-MNOVXSKESA-N 1 3 317.246 3.756 20 0 DHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423128332 337700753 /nfs/dbraw/zinc/70/07/53/337700753.db2.gz VRYBLYAREPLQCN-IJXRJRJASA-N 1 3 316.489 3.807 20 0 DHADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423136485 337701238 /nfs/dbraw/zinc/70/12/38/337701238.db2.gz PGAYZZKYMMPXSU-FVQBIDKESA-N 1 3 314.395 3.700 20 0 DHADHO COc1cccc([C@H]2C[C@H](N[C@@H](C)C[C@@H]3CCCCC[NH2+]3)C2)c1 ZINC000423164206 337702130 /nfs/dbraw/zinc/70/21/30/337702130.db2.gz SIDQYCPQSLBYER-WNHJNPCNSA-N 1 3 316.489 3.842 20 0 DHADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423226696 337705698 /nfs/dbraw/zinc/70/56/98/337705698.db2.gz RWEATHVYQBYOKY-GJZGRUSLSA-N 1 3 316.420 3.793 20 0 DHADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000423263614 337708081 /nfs/dbraw/zinc/70/80/81/337708081.db2.gz BEMZEISXKCRWQH-DCAQKATOSA-N 1 3 317.296 3.679 20 0 DHADHO COc1cc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1SC ZINC000423274427 337708872 /nfs/dbraw/zinc/70/88/72/337708872.db2.gz KLPZPYZZCIPBCW-AEGPPILISA-N 1 3 308.491 3.585 20 0 DHADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423278783 337709082 /nfs/dbraw/zinc/70/90/82/337709082.db2.gz RNOQDCFJEXFVPF-CABCVRRESA-N 1 3 315.486 3.850 20 0 DHADHO CC(=O)Nc1cccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423292026 337710084 /nfs/dbraw/zinc/71/00/84/337710084.db2.gz KZTLMGXWALATFQ-KBPBESRZSA-N 1 3 311.429 3.516 20 0 DHADHO C[C@H](CN)C[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423295950 337710700 /nfs/dbraw/zinc/71/07/00/337710700.db2.gz FXZHFDGTOPZVDZ-WQVCFCJDSA-N 1 3 314.395 3.916 20 0 DHADHO COc1ccc2c(c1F)CC[C@H]2NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423294593 337710729 /nfs/dbraw/zinc/71/07/29/337710729.db2.gz UXIYBTGSVGCAPK-SJKOYZFVSA-N 1 3 314.404 3.631 20 0 DHADHO C[C@H](CN)C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423303780 337711163 /nfs/dbraw/zinc/71/11/63/337711163.db2.gz JMSVCEPWPQSGDK-VEAWUBTESA-N 1 3 314.395 3.916 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000423369009 337715033 /nfs/dbraw/zinc/71/50/33/337715033.db2.gz DRAXKJYDXDOACT-CYZMBNFOSA-N 1 3 302.340 3.506 20 0 DHADHO CCOc1ccc([C@H](CC)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000423383059 337717698 /nfs/dbraw/zinc/71/76/98/337717698.db2.gz KIGMSSYKNRUVRL-ZACQAIPSSA-N 1 3 320.477 3.795 20 0 DHADHO Cc1ccc([C@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CCCC2)o1 ZINC000423443666 337719526 /nfs/dbraw/zinc/71/95/26/337719526.db2.gz QOPZQGABAICLKD-YQVWRLOYSA-N 1 3 302.462 3.797 20 0 DHADHO C[C@H](CCC[NH3+])N[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423446341 337719684 /nfs/dbraw/zinc/71/96/84/337719684.db2.gz CNCLDSSGWPLOCS-AUUYWEPGSA-N 1 3 309.413 3.634 20 0 DHADHO NC1(C[NH2+][C@H]2CCC[C@@H]2CCCF)C2CC3CC(C2)CC1C3 ZINC000423531762 337724685 /nfs/dbraw/zinc/72/46/85/337724685.db2.gz UAXGQBOMRDVJBS-RIFVKUKGSA-N 1 3 308.485 3.648 20 0 DHADHO CCC[NH+]1CCC(CN[C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000122714244 337924154 /nfs/dbraw/zinc/92/41/54/337924154.db2.gz ZNBXRTJBQAXKOV-GFCCVEGCSA-N 1 3 314.395 3.877 20 0 DHADHO CC(C)[N@H+](C)CC1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000516393948 338011761 /nfs/dbraw/zinc/01/17/61/338011761.db2.gz DWTPSSAAVZNIEM-UHFFFAOYSA-N 1 3 316.489 3.780 20 0 DHADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000516393948 338011762 /nfs/dbraw/zinc/01/17/62/338011762.db2.gz DWTPSSAAVZNIEM-UHFFFAOYSA-N 1 3 316.489 3.780 20 0 DHADHO CC[NH+](CC)CCCC1CCN(C/C=C\c2ccncc2)CC1 ZINC000426168157 338022097 /nfs/dbraw/zinc/02/20/97/338022097.db2.gz XZWCEGZRQNDFNF-SREVYHEPSA-N 1 3 315.505 3.929 20 0 DHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC45CCCC5)[C@@H]3C2)cc1 ZINC000429401699 338079723 /nfs/dbraw/zinc/07/97/23/338079723.db2.gz AZYDYBRSMGUIOA-ZGXWSNOMSA-N 1 3 310.485 3.819 20 0 DHADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccccc4F)o3)C2)C1 ZINC000430116587 338097676 /nfs/dbraw/zinc/09/76/76/338097676.db2.gz HUIZMMZAZFTMLL-IBGZPJMESA-N 1 3 314.404 3.613 20 0 DHADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccccc4F)o3)C2)C1 ZINC000430116587 338097677 /nfs/dbraw/zinc/09/76/77/338097677.db2.gz HUIZMMZAZFTMLL-IBGZPJMESA-N 1 3 314.404 3.613 20 0 DHADHO FC1(F)CC[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000430753795 338113761 /nfs/dbraw/zinc/11/37/61/338113761.db2.gz LPLPSTYAPMOXKZ-AWEZNQCLSA-N 1 3 300.437 3.809 20 0 DHADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431348390 338128925 /nfs/dbraw/zinc/12/89/25/338128925.db2.gz JAMGQHJRVOAOTF-GOSISDBHSA-N 1 3 316.489 3.566 20 0 DHADHO C[C@@H](CCSc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000431602319 338134510 /nfs/dbraw/zinc/13/45/10/338134510.db2.gz FQZOFXMAPXILFP-ZWKOTPCHSA-N 1 3 318.530 3.975 20 0 DHADHO C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000431602319 338134511 /nfs/dbraw/zinc/13/45/11/338134511.db2.gz FQZOFXMAPXILFP-ZWKOTPCHSA-N 1 3 318.530 3.975 20 0 DHADHO C[C@@H](CCSc1ccccc1)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000431602319 338134512 /nfs/dbraw/zinc/13/45/12/338134512.db2.gz FQZOFXMAPXILFP-ZWKOTPCHSA-N 1 3 318.530 3.975 20 0 DHADHO Cc1cc(C)c([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC000432404988 338154952 /nfs/dbraw/zinc/15/49/52/338154952.db2.gz GBDSVYSYWIQIDG-MOPGFXCFSA-N 1 3 318.505 3.763 20 0 DHADHO Cc1cc(C)c([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC000432404988 338154953 /nfs/dbraw/zinc/15/49/53/338154953.db2.gz GBDSVYSYWIQIDG-MOPGFXCFSA-N 1 3 318.505 3.763 20 0 DHADHO C[C@H]1CC[C@@H](NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000432422032 338156008 /nfs/dbraw/zinc/15/60/08/338156008.db2.gz CDUVQJHGPIXKSM-SQGPQFPESA-N 1 3 316.489 3.716 20 0 DHADHO C[C@H]1CC[C@@H](NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000432422032 338156009 /nfs/dbraw/zinc/15/60/09/338156009.db2.gz CDUVQJHGPIXKSM-SQGPQFPESA-N 1 3 316.489 3.716 20 0 DHADHO CCCc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432423842 338156119 /nfs/dbraw/zinc/15/61/19/338156119.db2.gz LJJIRPWBTHXEJU-QZTJIDSGSA-N 1 3 318.505 3.791 20 0 DHADHO CCCc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432423842 338156120 /nfs/dbraw/zinc/15/61/20/338156120.db2.gz LJJIRPWBTHXEJU-QZTJIDSGSA-N 1 3 318.505 3.791 20 0 DHADHO Cc1cc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc(C)c1F ZINC000432431558 338156355 /nfs/dbraw/zinc/15/63/55/338156355.db2.gz WSRVIVGNAYDGOD-IAGOWNOFSA-N 1 3 322.468 3.594 20 0 DHADHO Cc1cc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc(C)c1F ZINC000432431558 338156356 /nfs/dbraw/zinc/15/63/56/338156356.db2.gz WSRVIVGNAYDGOD-IAGOWNOFSA-N 1 3 322.468 3.594 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432786750 338167685 /nfs/dbraw/zinc/16/76/85/338167685.db2.gz QBGVRHJSFMZFOQ-MRXNPFEDSA-N 1 3 314.395 3.930 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432786750 338167686 /nfs/dbraw/zinc/16/76/86/338167686.db2.gz QBGVRHJSFMZFOQ-MRXNPFEDSA-N 1 3 314.395 3.930 20 0 DHADHO CCc1ccc([C@H]2CCN(CC[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000433062663 338179570 /nfs/dbraw/zinc/17/95/70/338179570.db2.gz VAPXICVZGVPWIJ-PMACEKPBSA-N 1 3 300.490 3.913 20 0 DHADHO CCc1ccc([C@H]2CCN(CC[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC000433062663 338179571 /nfs/dbraw/zinc/17/95/71/338179571.db2.gz VAPXICVZGVPWIJ-PMACEKPBSA-N 1 3 300.490 3.913 20 0 DHADHO CC[C@H](F)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433166260 338183771 /nfs/dbraw/zinc/18/37/71/338183771.db2.gz JSBOMXHKJWACPE-SFHVURJKSA-N 1 3 304.453 3.723 20 0 DHADHO CCN(Cc1cc(Cl)cc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000435393813 338238827 /nfs/dbraw/zinc/23/88/27/338238827.db2.gz KXQKDYRMXDGGHR-QGZVFWFLSA-N 1 3 317.864 3.852 20 0 DHADHO Cc1ccccc1CCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000440323555 338385499 /nfs/dbraw/zinc/38/54/99/338385499.db2.gz AHOGNWYPANHGQD-HXUWFJFHSA-N 1 3 300.490 3.878 20 0 DHADHO Cc1ccccc1CCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000440332682 338385771 /nfs/dbraw/zinc/38/57/71/338385771.db2.gz RRDABJCRPPHDRH-LJQANCHMSA-N 1 3 300.490 3.735 20 0 DHADHO Cc1ccccc1CCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000440332682 338385772 /nfs/dbraw/zinc/38/57/72/338385772.db2.gz RRDABJCRPPHDRH-LJQANCHMSA-N 1 3 300.490 3.735 20 0 DHADHO Cc1ccccc1CCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000440332682 338385773 /nfs/dbraw/zinc/38/57/73/338385773.db2.gz RRDABJCRPPHDRH-LJQANCHMSA-N 1 3 300.490 3.735 20 0 DHADHO CC1(C)C[N@H+](CCCN2CCCCC2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440548824 338389989 /nfs/dbraw/zinc/38/99/89/338389989.db2.gz UDGSNCKKHGEVRS-HBFSDRIKSA-N 1 3 320.521 3.532 20 0 DHADHO CC1(C)C[N@@H+](CCCN2CCCCC2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440548824 338389990 /nfs/dbraw/zinc/38/99/90/338389990.db2.gz UDGSNCKKHGEVRS-HBFSDRIKSA-N 1 3 320.521 3.532 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449175983 338599352 /nfs/dbraw/zinc/59/93/52/338599352.db2.gz LLJVXGOFRIXYBY-KSZLIROESA-N 1 3 308.510 3.578 20 0 DHADHO C/C=C/C[C@@H](CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449250804 338606861 /nfs/dbraw/zinc/60/68/61/338606861.db2.gz PZDSEIKDBDKGCU-OZSKJFCKSA-N 1 3 310.526 3.582 20 0 DHADHO CC(C)[C@H](CO)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449322560 338612862 /nfs/dbraw/zinc/61/28/62/338612862.db2.gz XTJYDZVLFZKYSS-INIZCTEOSA-N 1 3 312.542 3.520 20 0 DHADHO C[C@@H]1C[C@H](NC2CCC([NH+]3CCC(C)CC3)CC2)c2nccn21 ZINC000453166934 338801916 /nfs/dbraw/zinc/80/19/16/338801916.db2.gz HSPCATDQPCYCBL-CPFNUKBASA-N 1 3 316.493 3.522 20 0 DHADHO CC(C)(C)c1ccccc1OCCNC1CC[NH+](C2CC2)CC1 ZINC000459414786 339027874 /nfs/dbraw/zinc/02/78/74/339027874.db2.gz OKOQPCSMZBBEQW-UHFFFAOYSA-N 1 3 316.489 3.579 20 0 DHADHO CC(C)O[C@H]1C[C@@H](NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000459639715 339039811 /nfs/dbraw/zinc/03/98/11/339039811.db2.gz VWBFMLPEJJHYRH-GDAAHCPNSA-N 1 3 308.510 3.575 20 0 DHADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000459639715 339039812 /nfs/dbraw/zinc/03/98/12/339039812.db2.gz VWBFMLPEJJHYRH-GDAAHCPNSA-N 1 3 308.510 3.575 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2cnc(-c3ccsc3)s2)C1 ZINC000459730527 339044909 /nfs/dbraw/zinc/04/49/09/339044909.db2.gz KNAXFTDFWMILHI-CYBMUJFWSA-N 1 3 321.515 3.693 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2cnc(-c3ccsc3)s2)C1 ZINC000459730527 339044910 /nfs/dbraw/zinc/04/49/10/339044910.db2.gz KNAXFTDFWMILHI-CYBMUJFWSA-N 1 3 321.515 3.693 20 0 DHADHO CO[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C12CCC2 ZINC000459798379 339049194 /nfs/dbraw/zinc/04/91/94/339049194.db2.gz XMMVSFJFLFPUPU-OQIJWPOYSA-N 1 3 320.521 3.577 20 0 DHADHO CO[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)C12CCC2 ZINC000459798379 339049195 /nfs/dbraw/zinc/04/91/95/339049195.db2.gz XMMVSFJFLFPUPU-OQIJWPOYSA-N 1 3 320.521 3.577 20 0 DHADHO CN(C)CCOc1ccccc1C[NH2+]C1CCC(C)(C)CC1 ZINC000462771941 339087722 /nfs/dbraw/zinc/08/77/22/339087722.db2.gz GDUJQRKXJQFJRK-UHFFFAOYSA-N 1 3 304.478 3.685 20 0 DHADHO CC[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCCN(C)C)C1 ZINC000462774910 339088067 /nfs/dbraw/zinc/08/80/67/339088067.db2.gz PIVGASCQINFHQQ-WMZOPIPTSA-N 1 3 304.478 3.685 20 0 DHADHO CC(C)O[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000463014140 339100440 /nfs/dbraw/zinc/10/04/40/339100440.db2.gz UFRKMKASLLFBDL-RBUKOAKNSA-N 1 3 322.537 3.965 20 0 DHADHO CC(C)O[C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000463014140 339100441 /nfs/dbraw/zinc/10/04/41/339100441.db2.gz UFRKMKASLLFBDL-RBUKOAKNSA-N 1 3 322.537 3.965 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463036518 339102420 /nfs/dbraw/zinc/10/24/20/339102420.db2.gz TZQVRHOJNHKYLF-VYDXJSESSA-N 1 3 304.478 3.997 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463036518 339102421 /nfs/dbraw/zinc/10/24/21/339102421.db2.gz TZQVRHOJNHKYLF-VYDXJSESSA-N 1 3 304.478 3.997 20 0 DHADHO CCC[NH+](CCC)CCCNC1CCN(c2ccccc2)CC1 ZINC000463113528 339106204 /nfs/dbraw/zinc/10/62/04/339106204.db2.gz CQBZJMAQZCPNMX-UHFFFAOYSA-N 1 3 317.521 3.757 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCC2CCOCC2)C1 ZINC000463281235 339113191 /nfs/dbraw/zinc/11/31/91/339113191.db2.gz PFXIQGSOXJWQIV-QUCCMNQESA-N 1 3 322.537 3.780 20 0 DHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCC2CCOCC2)C1 ZINC000463281235 339113192 /nfs/dbraw/zinc/11/31/92/339113192.db2.gz PFXIQGSOXJWQIV-QUCCMNQESA-N 1 3 322.537 3.780 20 0 DHADHO Cc1cc(Cl)ccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000463738503 339125254 /nfs/dbraw/zinc/12/52/54/339125254.db2.gz WVZQACICMMNAKJ-HOTGVXAUSA-N 1 3 324.896 3.627 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000466344158 339199964 /nfs/dbraw/zinc/19/99/64/339199964.db2.gz ACVJWFBECYJVLQ-FUMNGEBKSA-N 1 3 322.537 3.539 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cccc(OC4CCCC4)c3)C[C@H]21 ZINC000469871229 339303309 /nfs/dbraw/zinc/30/33/09/339303309.db2.gz LJQKBPKXVCRIIW-NSISKUIASA-N 1 3 314.473 3.567 20 0 DHADHO Fc1ccccc1CC[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC000469880696 339303649 /nfs/dbraw/zinc/30/36/49/339303649.db2.gz MPAGVVNSKMFNBX-MRXNPFEDSA-N 1 3 304.453 3.612 20 0 DHADHO Fc1ccccc1CC[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC000469880696 339303650 /nfs/dbraw/zinc/30/36/50/339303650.db2.gz MPAGVVNSKMFNBX-MRXNPFEDSA-N 1 3 304.453 3.612 20 0 DHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4cccc(F)c4)s3)C[C@@H]12 ZINC000469886027 339303858 /nfs/dbraw/zinc/30/38/58/339303858.db2.gz ZLFHHXJJXNYWSB-IAOVAPTHSA-N 1 3 316.445 3.723 20 0 DHADHO C[NH2+]CC1CCN(Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000470015061 339308623 /nfs/dbraw/zinc/30/86/23/339308623.db2.gz JVIRHFPBVPWYPV-UHFFFAOYSA-N 1 3 315.486 3.550 20 0 DHADHO Cc1ccc2[nH]c(C[NH2+]C3CCN(C4CCC4)CC3)cc2c1C ZINC000472041246 339360224 /nfs/dbraw/zinc/36/02/24/339360224.db2.gz DNZWMAMZHRBKQB-UHFFFAOYSA-N 1 3 311.473 3.891 20 0 DHADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@@H](CSc2ccccc2)C1 ZINC000472575620 339374097 /nfs/dbraw/zinc/37/40/97/339374097.db2.gz UZCPZJXLEGNBDM-MSOLQXFVSA-N 1 3 318.530 3.975 20 0 DHADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@@H](CSc2ccccc2)C1 ZINC000472575620 339374098 /nfs/dbraw/zinc/37/40/98/339374098.db2.gz UZCPZJXLEGNBDM-MSOLQXFVSA-N 1 3 318.530 3.975 20 0 DHADHO C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CCCCC1 ZINC000474470878 339415974 /nfs/dbraw/zinc/41/59/74/339415974.db2.gz MPKVSTPQYUJFIA-MRXNPFEDSA-N 1 3 304.478 3.685 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000479864092 339551349 /nfs/dbraw/zinc/55/13/49/339551349.db2.gz HKNYSZCNDQXWKK-JTDSTZFVSA-N 1 3 304.478 3.856 20 0 DHADHO CCC1(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CCC1 ZINC000484273817 339683452 /nfs/dbraw/zinc/68/34/52/339683452.db2.gz CMDHTPBCBWVVDE-MRXNPFEDSA-N 1 3 304.478 3.858 20 0 DHADHO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000484500636 339688283 /nfs/dbraw/zinc/68/82/83/339688283.db2.gz NZKJLTUWSFVRNP-GPMSIDNRSA-N 1 3 304.478 3.856 20 0 DHADHO CCOc1c(Cl)cccc1CNCCC1CC[NH+](C)CC1 ZINC000487273101 339748399 /nfs/dbraw/zinc/74/83/99/339748399.db2.gz MSNHTPZHOKOTFB-UHFFFAOYSA-N 1 3 310.869 3.560 20 0 DHADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3C[C@H](C)[C@@H]3C)CC2)cc1 ZINC000494906848 339964309 /nfs/dbraw/zinc/96/43/09/339964309.db2.gz FSZDIKVSOIPJNC-TWOQFEAHSA-N 1 3 316.489 3.541 20 0 DHADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(Cc2ccc(F)cc2)CC1 ZINC000502714243 340111962 /nfs/dbraw/zinc/11/19/62/340111962.db2.gz CXGRORBVSBUWKG-LJQANCHMSA-N 1 3 304.453 3.565 20 0 DHADHO C[N@H+]1CCC[C@@H]1CCN1CCC(Cc2ccc(F)cc2)CC1 ZINC000502714243 340111963 /nfs/dbraw/zinc/11/19/63/340111963.db2.gz CXGRORBVSBUWKG-LJQANCHMSA-N 1 3 304.453 3.565 20 0 DHADHO CC[C@@H](C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000503004778 340118510 /nfs/dbraw/zinc/11/85/10/340118510.db2.gz KTQUNTGUOCBOIN-OTWHNJEPSA-N 1 3 318.505 3.659 20 0 DHADHO C[NH+](C)CC1CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000506878600 340203026 /nfs/dbraw/zinc/20/30/26/340203026.db2.gz ZURQKWCFKOJIPC-UHFFFAOYSA-N 1 3 316.489 3.782 20 0 DHADHO CCc1cccnc1[C@@H](C)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000507470478 340221328 /nfs/dbraw/zinc/22/13/28/340221328.db2.gz MVOSFELVPIXZDZ-DLBZAZTESA-N 1 3 303.494 3.807 20 0 DHADHO CCc1cccnc1[C@@H](C)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000507470478 340221329 /nfs/dbraw/zinc/22/13/29/340221329.db2.gz MVOSFELVPIXZDZ-DLBZAZTESA-N 1 3 303.494 3.807 20 0 DHADHO CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)CC(F)(F)F ZINC000402549427 340242220 /nfs/dbraw/zinc/24/22/20/340242220.db2.gz DNHBCPBIXRXGEN-GBJTYRQASA-N 1 3 306.416 3.865 20 0 DHADHO Cc1cc(F)ccc1CNCCC[N@@H+]1CCc2ccccc2C1 ZINC000509623211 340274944 /nfs/dbraw/zinc/27/49/44/340274944.db2.gz XZWGCTANLILAPU-UHFFFAOYSA-N 1 3 312.432 3.672 20 0 DHADHO Cc1cc(F)ccc1CNCCC[N@H+]1CCc2ccccc2C1 ZINC000509623211 340274945 /nfs/dbraw/zinc/27/49/45/340274945.db2.gz XZWGCTANLILAPU-UHFFFAOYSA-N 1 3 312.432 3.672 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN([C@H]3CCCc4ccc(F)cc43)CC[C@@H]21 ZINC000510393960 340297822 /nfs/dbraw/zinc/29/78/22/340297822.db2.gz HMQFTGNEXNRDMU-MNEFBYGVSA-N 1 3 302.437 3.619 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN([C@H]3CCCc4ccc(F)cc43)CC[C@@H]21 ZINC000510393960 340297823 /nfs/dbraw/zinc/29/78/23/340297823.db2.gz HMQFTGNEXNRDMU-MNEFBYGVSA-N 1 3 302.437 3.619 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+]([C@H]3CCCc4ccc(F)cc43)CC[C@@H]21 ZINC000510393960 340297824 /nfs/dbraw/zinc/29/78/24/340297824.db2.gz HMQFTGNEXNRDMU-MNEFBYGVSA-N 1 3 302.437 3.619 20 0 DHADHO CN1CCC[C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)CC[C@@H]21 ZINC000510393960 340297825 /nfs/dbraw/zinc/29/78/25/340297825.db2.gz HMQFTGNEXNRDMU-MNEFBYGVSA-N 1 3 302.437 3.619 20 0 DHADHO C[NH+](C)CC[C@H](NC/C=C/c1ccc(F)c(F)c1)C(C)(C)C ZINC000512050638 340346668 /nfs/dbraw/zinc/34/66/68/340346668.db2.gz CYTBOWNTDYOUTG-LXXRFIIISA-N 1 3 310.432 3.934 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000512082356 340347915 /nfs/dbraw/zinc/34/79/15/340347915.db2.gz IRJUCSKETZSWQF-LLCTXKFZSA-N 1 3 308.416 3.688 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1ccc3ccccc3c1)C2 ZINC000512541928 340366163 /nfs/dbraw/zinc/36/61/63/340366163.db2.gz JISFAEMTXYQFAT-YOFSQIOKSA-N 1 3 324.468 3.776 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1ccc3ccccc3c1)C2 ZINC000512541928 340366164 /nfs/dbraw/zinc/36/61/64/340366164.db2.gz JISFAEMTXYQFAT-YOFSQIOKSA-N 1 3 324.468 3.776 20 0 DHADHO CC(C)(C)[NH+]1CCC(NC[C@H]2SCCc3ccccc32)CC1 ZINC000513017168 340388719 /nfs/dbraw/zinc/38/87/19/340388719.db2.gz JBVWZFYAJUJNDI-GOSISDBHSA-N 1 3 318.530 3.870 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@H]2SCCc3ccccc32)CC1 ZINC000513017168 340388720 /nfs/dbraw/zinc/38/87/20/340388720.db2.gz JBVWZFYAJUJNDI-GOSISDBHSA-N 1 3 318.530 3.870 20 0 DHADHO CCCC(O)(CCC)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000513223707 340398065 /nfs/dbraw/zinc/39/80/65/340398065.db2.gz NQLDTRYIFJPWKL-IEBWSBKVSA-N 1 3 324.553 3.950 20 0 DHADHO CCCC(O)(CCC)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000513223707 340398066 /nfs/dbraw/zinc/39/80/66/340398066.db2.gz NQLDTRYIFJPWKL-IEBWSBKVSA-N 1 3 324.553 3.950 20 0 DHADHO CCCC(O)(CCC)CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000513224869 340398291 /nfs/dbraw/zinc/39/82/91/340398291.db2.gz WOLBGBJITFLHNR-PKOBYXMFSA-N 1 3 324.553 3.950 20 0 DHADHO CCCC(O)(CCC)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000513224869 340398292 /nfs/dbraw/zinc/39/82/92/340398292.db2.gz WOLBGBJITFLHNR-PKOBYXMFSA-N 1 3 324.553 3.950 20 0 DHADHO CC(C)CC[C@](C)(O)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000513234309 340398679 /nfs/dbraw/zinc/39/86/79/340398679.db2.gz VORVUWHSSRMIQH-HOJAQTOUSA-N 1 3 324.553 3.806 20 0 DHADHO CC(C)CC[C@](C)(O)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000513234309 340398680 /nfs/dbraw/zinc/39/86/80/340398680.db2.gz VORVUWHSSRMIQH-HOJAQTOUSA-N 1 3 324.553 3.806 20 0 DHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000177316200 340439252 /nfs/dbraw/zinc/43/92/52/340439252.db2.gz TTXYRHQZAQACMT-AWEZNQCLSA-N 1 3 306.881 3.940 20 0 DHADHO Cc1cc(OCCN2CCC(C[NH+](C)C)CC2)ccc1C(C)C ZINC000524369693 340653323 /nfs/dbraw/zinc/65/33/23/340653323.db2.gz GJDPWMKBYOPZBF-UHFFFAOYSA-N 1 3 318.505 3.771 20 0 DHADHO CC[NH+](CC)CC1CCN(CCc2cccc(F)c2F)CC1 ZINC000541280975 340965327 /nfs/dbraw/zinc/96/53/27/340965327.db2.gz BBQCJOOEIKNBLW-UHFFFAOYSA-N 1 3 310.432 3.561 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000544021516 341066964 /nfs/dbraw/zinc/06/69/64/341066964.db2.gz XBDSHNKRLSLWDH-IEBWSBKVSA-N 1 3 318.480 3.955 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000544021516 341066965 /nfs/dbraw/zinc/06/69/65/341066965.db2.gz XBDSHNKRLSLWDH-IEBWSBKVSA-N 1 3 318.480 3.955 20 0 DHADHO C[C@H](CCc1cccc(F)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000544021516 341066966 /nfs/dbraw/zinc/06/69/66/341066966.db2.gz XBDSHNKRLSLWDH-IEBWSBKVSA-N 1 3 318.480 3.955 20 0 DHADHO COc1cccc([C@@H]2C[C@H](C)CN2CC[C@H]2CCC[N@@H+]2C)c1 ZINC000544115937 341070834 /nfs/dbraw/zinc/07/08/34/341070834.db2.gz COHCSDSDRGUNII-WDYCEAGBSA-N 1 3 302.462 3.562 20 0 DHADHO COc1cccc([C@@H]2C[C@H](C)CN2CC[C@H]2CCC[N@H+]2C)c1 ZINC000544115937 341070835 /nfs/dbraw/zinc/07/08/35/341070835.db2.gz COHCSDSDRGUNII-WDYCEAGBSA-N 1 3 302.462 3.562 20 0 DHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCCCCC1 ZINC000544379546 341079183 /nfs/dbraw/zinc/07/91/83/341079183.db2.gz PCERJTWOYAJROS-KURKYZTESA-N 1 3 310.526 3.824 20 0 DHADHO Cc1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000075799835 341183238 /nfs/dbraw/zinc/18/32/38/341183238.db2.gz QPNRSNXDMLCGIP-UHFFFAOYSA-N 1 3 308.469 3.792 20 0 DHADHO COc1cccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000076109654 341201039 /nfs/dbraw/zinc/20/10/39/341201039.db2.gz ANMXTBUXBMRDDV-FQEVSTJZSA-N 1 3 324.468 3.649 20 0 DHADHO COc1cccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000076109654 341201040 /nfs/dbraw/zinc/20/10/40/341201040.db2.gz ANMXTBUXBMRDDV-FQEVSTJZSA-N 1 3 324.468 3.649 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(-c3ccccn3)c2)[C@@H](C)C1 ZINC000245801803 341315119 /nfs/dbraw/zinc/31/51/19/341315119.db2.gz XXMJCPZHLNMRFO-UWJYYQICSA-N 1 3 323.484 3.911 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(-c3ccccn3)c2)[C@@H](C)C1 ZINC000245801803 341315120 /nfs/dbraw/zinc/31/51/20/341315120.db2.gz XXMJCPZHLNMRFO-UWJYYQICSA-N 1 3 323.484 3.911 20 0 DHADHO C[C@H]([NH2+]C1(CN[C@@H]2CCOC2(C)C)CCCC1)c1ccccc1 ZINC000551051436 341330219 /nfs/dbraw/zinc/33/02/19/341330219.db2.gz OLPLLOSYPBLUGR-FUHWJXTLSA-N 1 3 316.489 3.807 20 0 DHADHO C[C@@H]1CN(CC2CC[NH+]([C@@H]3C=CCCCCC3)CC2)C[C@H](C)O1 ZINC000551063019 341330650 /nfs/dbraw/zinc/33/06/50/341330650.db2.gz HKFYVNZSHOBVNJ-WSTZPKSXSA-N 1 3 320.521 3.697 20 0 DHADHO COc1ccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(C)c1 ZINC000551084233 341331080 /nfs/dbraw/zinc/33/10/80/341331080.db2.gz TXYPAICHTHGXRE-FPOVZHCZSA-N 1 3 324.468 3.929 20 0 DHADHO COc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(C)c1 ZINC000551084233 341331081 /nfs/dbraw/zinc/33/10/81/341331081.db2.gz TXYPAICHTHGXRE-FPOVZHCZSA-N 1 3 324.468 3.929 20 0 DHADHO CCOc1ccc(C[NH2+][C@H]2CCN(CC)C[C@H]2C)cc1Cl ZINC000551573220 341346044 /nfs/dbraw/zinc/34/60/44/341346044.db2.gz NVHOXMHYWAKKRB-CJNGLKHVSA-N 1 3 310.869 3.559 20 0 DHADHO CCC[C@@H](CC)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000551814619 341352805 /nfs/dbraw/zinc/35/28/05/341352805.db2.gz ZZEOVJSUFMIAHW-QGZVFWFLSA-N 1 3 304.478 3.828 20 0 DHADHO Fc1ccc2c(c1)[C@H](N1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)CC2 ZINC000246818783 341357406 /nfs/dbraw/zinc/35/74/06/341357406.db2.gz NPIUVWDQZACWFY-UIAACRFSSA-N 1 3 314.448 3.762 20 0 DHADHO Fc1ccc2c(c1)[C@H](N1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)CC2 ZINC000246818783 341357407 /nfs/dbraw/zinc/35/74/07/341357407.db2.gz NPIUVWDQZACWFY-UIAACRFSSA-N 1 3 314.448 3.762 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2cc3c(s2)CCCC3)[C@H]2CCC[C@@H]21 ZINC000552034843 341363687 /nfs/dbraw/zinc/36/36/87/341363687.db2.gz HOLAHIYGZLWODU-IKGGRYGDSA-N 1 3 304.503 3.589 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cc3c(s2)CCCC3)[C@H]2CCC[C@@H]21 ZINC000552034843 341363688 /nfs/dbraw/zinc/36/36/88/341363688.db2.gz HOLAHIYGZLWODU-IKGGRYGDSA-N 1 3 304.503 3.589 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cc3c(s2)CCCC3)[C@H]2CCC[C@@H]21 ZINC000552034843 341363689 /nfs/dbraw/zinc/36/36/89/341363689.db2.gz HOLAHIYGZLWODU-IKGGRYGDSA-N 1 3 304.503 3.589 20 0 DHADHO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000552063657 341366529 /nfs/dbraw/zinc/36/65/29/341366529.db2.gz HIJHRDDQSYFQNM-WOJBJXKFSA-N 1 3 316.489 3.684 20 0 DHADHO CCCCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552225205 341379435 /nfs/dbraw/zinc/37/94/35/341379435.db2.gz DLUQLWHBEMPNLF-AQNXPRMDSA-N 1 3 316.489 3.828 20 0 DHADHO CCCCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552225205 341379436 /nfs/dbraw/zinc/37/94/36/341379436.db2.gz DLUQLWHBEMPNLF-AQNXPRMDSA-N 1 3 316.489 3.828 20 0 DHADHO CCCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000552225205 341379437 /nfs/dbraw/zinc/37/94/37/341379437.db2.gz DLUQLWHBEMPNLF-AQNXPRMDSA-N 1 3 316.489 3.828 20 0 DHADHO COc1cccc(C2([NH2+]C3CCN(C(C)(C)C)CC3)CC2)c1 ZINC000552320632 341386257 /nfs/dbraw/zinc/38/62/57/341386257.db2.gz CFSZZWCCTFDXQD-UHFFFAOYSA-N 1 3 302.462 3.537 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000249373011 341396761 /nfs/dbraw/zinc/39/67/61/341396761.db2.gz FAQSEVGYPMIXLP-OLZOCXBDSA-N 1 3 300.368 3.698 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000249384500 341396991 /nfs/dbraw/zinc/39/69/91/341396991.db2.gz XWGIBMOGXBUECZ-VXGBXAGGSA-N 1 3 301.261 3.986 20 0 DHADHO CCC1(CNCc2ccccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000338334924 519842905 /nfs/dbraw/zinc/84/29/05/519842905.db2.gz SYYWZQZLJACUTQ-UHFFFAOYSA-N 1 3 323.484 3.864 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000163304564 521711664 /nfs/dbraw/zinc/71/16/64/521711664.db2.gz DKUPDOFBPFSNAW-FUHWJXTLSA-N 1 3 314.473 3.754 20 0 DHADHO CN(C/C=C/C[N@H+](C)Cc1cccs1)Cc1cccs1 ZINC000338374891 522406205 /nfs/dbraw/zinc/40/62/05/522406205.db2.gz MUEHHUVQXGTVQG-ONEGZZNKSA-N 1 3 306.500 3.930 20 0 DHADHO CN(C/C=C/C[N@@H+](C)Cc1cccs1)Cc1cccs1 ZINC000338374891 522406216 /nfs/dbraw/zinc/40/62/16/522406216.db2.gz MUEHHUVQXGTVQG-ONEGZZNKSA-N 1 3 306.500 3.930 20 0 DHADHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293376 522854699 /nfs/dbraw/zinc/85/46/99/522854699.db2.gz ZDAHZBGNAUKGEW-XJKSGUPXSA-N 1 3 312.404 3.671 20 0 DHADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293376 522854705 /nfs/dbraw/zinc/85/47/05/522854705.db2.gz ZDAHZBGNAUKGEW-XJKSGUPXSA-N 1 3 312.404 3.671 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293376 522854719 /nfs/dbraw/zinc/85/47/19/522854719.db2.gz ZDAHZBGNAUKGEW-XJKSGUPXSA-N 1 3 312.404 3.671 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC000364897126 523349225 /nfs/dbraw/zinc/34/92/25/523349225.db2.gz RVMJQVZHTJLHSO-PMACEKPBSA-N 1 3 316.489 3.542 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)CC1 ZINC000364897126 523349229 /nfs/dbraw/zinc/34/92/29/523349229.db2.gz RVMJQVZHTJLHSO-PMACEKPBSA-N 1 3 316.489 3.542 20 0 DHADHO C[N@H+](Cc1ccccc1)[C@H]1CCCN(CC[C@@H]2CCCO2)CC1 ZINC000364897126 523349233 /nfs/dbraw/zinc/34/92/33/523349233.db2.gz RVMJQVZHTJLHSO-PMACEKPBSA-N 1 3 316.489 3.542 20 0 DHADHO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(CC[C@@H]2CCCO2)CC1 ZINC000364897126 523349235 /nfs/dbraw/zinc/34/92/35/523349235.db2.gz RVMJQVZHTJLHSO-PMACEKPBSA-N 1 3 316.489 3.542 20 0 DHADHO CN(Cc1cnc(-c2ccccc2)s1)CC1CC[NH+](C)CC1 ZINC000172534379 523496299 /nfs/dbraw/zinc/49/62/99/523496299.db2.gz WWZPLBULAVIMBG-UHFFFAOYSA-N 1 3 315.486 3.584 20 0 DHADHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc1 ZINC000158142471 524437496 /nfs/dbraw/zinc/43/74/96/524437496.db2.gz LDDRIYMSUIVGAE-UHFFFAOYSA-N 1 3 323.484 3.734 20 0 DHADHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc1 ZINC000158142471 524437505 /nfs/dbraw/zinc/43/75/05/524437505.db2.gz LDDRIYMSUIVGAE-UHFFFAOYSA-N 1 3 323.484 3.734 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000364172117 524916200 /nfs/dbraw/zinc/91/62/00/524916200.db2.gz XDSKXXWEKPTINC-JXXFODFXSA-N 1 3 309.457 3.567 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000364172117 524916210 /nfs/dbraw/zinc/91/62/10/524916210.db2.gz XDSKXXWEKPTINC-JXXFODFXSA-N 1 3 309.457 3.567 20 0 DHADHO C[C@H](NCc1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000124287544 525455338 /nfs/dbraw/zinc/45/53/38/525455338.db2.gz DUDWMWBJTSRZFH-HNNXBMFYSA-N 1 3 316.420 3.617 20 0 DHADHO Fc1cc(F)cc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167973880 1013412679 /nfs/dbraw/zinc/41/26/79/1013412679.db2.gz PQMIASAYYFVCAO-YQQQUEKLSA-N 1 3 320.427 3.502 20 0 DHADHO Fc1cc(F)cc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167973880 1013412683 /nfs/dbraw/zinc/41/26/83/1013412683.db2.gz PQMIASAYYFVCAO-YQQQUEKLSA-N 1 3 320.427 3.502 20 0 DHADHO CC(C)COc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000124352142 1013426499 /nfs/dbraw/zinc/42/64/99/1013426499.db2.gz YFYMBTDVQYAAAA-IAGOWNOFSA-N 1 3 316.489 3.856 20 0 DHADHO CC(C)COc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000124352142 1013426502 /nfs/dbraw/zinc/42/65/02/1013426502.db2.gz YFYMBTDVQYAAAA-IAGOWNOFSA-N 1 3 316.489 3.856 20 0 DHADHO Cc1cnc(CCNC2CC[NH+](C3CCCCC3)CC2)c(C)c1 ZINC000655809127 1013731610 /nfs/dbraw/zinc/73/16/10/1013731610.db2.gz RAJKFAUJEGOFDO-UHFFFAOYSA-N 1 3 315.505 3.628 20 0 DHADHO Cc1cc(C)c(CN2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000441458317 1013898676 /nfs/dbraw/zinc/89/86/76/1013898676.db2.gz NRMHHFXSUVNFQX-LJQANCHMSA-N 1 3 300.490 3.920 20 0 DHADHO C[NH+](C)Cc1cccc(CNCc2ccc3cnccc3c2)c1 ZINC000683765141 1013965941 /nfs/dbraw/zinc/96/59/41/1013965941.db2.gz CDQIHJUAJBGMBT-UHFFFAOYSA-N 1 3 305.425 3.586 20 0 DHADHO C[NH+](C)C1CCC(NCc2c(F)cc(Cl)cc2F)CC1 ZINC001168298293 1032078200 /nfs/dbraw/zinc/07/82/00/1032078200.db2.gz KWGINRFDZUCKSB-UHFFFAOYSA-N 1 3 302.796 3.581 20 0 DHADHO CC[NH+](CC)C1CCC(N2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001173109646 1033544818 /nfs/dbraw/zinc/54/48/18/1033544818.db2.gz IWIAQLVEEWDQFB-YMAMQOFZSA-N 1 3 306.416 3.709 20 0 DHADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C[C@@H]2C1 ZINC000683844762 1014070200 /nfs/dbraw/zinc/07/02/00/1014070200.db2.gz XELIFEJVDZEARO-GASCZTMLSA-N 1 3 316.832 3.593 20 0 DHADHO CN1C[C@@H]2C[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C[C@@H]2C1 ZINC000683844762 1014070204 /nfs/dbraw/zinc/07/02/04/1014070204.db2.gz XELIFEJVDZEARO-GASCZTMLSA-N 1 3 316.832 3.593 20 0 DHADHO C[NH2+]Cc1cccc(Nc2cccc3c2OCC[C@H]3N(C)C)c1 ZINC001211140232 1014191526 /nfs/dbraw/zinc/19/15/26/1014191526.db2.gz DSCKVJJCBHVZRC-GOSISDBHSA-N 1 3 311.429 3.535 20 0 DHADHO Cc1nc(C)c([C@H](C)N(C)Cc2ccc3c(c2)C[NH2+]CC3)s1 ZINC000580839675 1014397017 /nfs/dbraw/zinc/39/70/17/1014397017.db2.gz VVOQUZBPSORJAX-ZDUSSCGKSA-N 1 3 315.486 3.599 20 0 DHADHO C[C@H](N)c1nccn1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005597 1014404333 /nfs/dbraw/zinc/40/43/33/1014404333.db2.gz KCIYLWSBDZISRG-JYJNAYRXSA-N 1 3 312.461 3.517 20 0 DHADHO C[C@@H]1C[C@@H](NCCc2ccco2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168010497 1014527163 /nfs/dbraw/zinc/52/71/63/1014527163.db2.gz JSPXVTBUSKXMCN-IZZQQSIFSA-N 1 3 312.457 3.853 20 0 DHADHO C[C@@H]1C[C@@H](NCCc2ccco2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168010497 1014527165 /nfs/dbraw/zinc/52/71/65/1014527165.db2.gz JSPXVTBUSKXMCN-IZZQQSIFSA-N 1 3 312.457 3.853 20 0 DHADHO Cc1cc(C)cc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665246088 1014533442 /nfs/dbraw/zinc/53/34/42/1014533442.db2.gz YSSXSCGNOZJAMA-FPOVZHCZSA-N 1 3 322.452 3.649 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC2CC2)c(F)c1 ZINC000581200851 1014611479 /nfs/dbraw/zinc/61/14/79/1014611479.db2.gz TURINAYMTOCSTB-APHBMKBZSA-N 1 3 306.425 3.535 20 0 DHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1nsc2ccccc12 ZINC000665275015 1014638105 /nfs/dbraw/zinc/63/81/05/1014638105.db2.gz ASDYTWGHGLYGOW-GJZGRUSLSA-N 1 3 317.502 3.739 20 0 DHADHO Clc1ccc([C@H]2CCC[C@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000665280008 1014669920 /nfs/dbraw/zinc/66/99/20/1014669920.db2.gz RAKWBXJNIHRCTA-LVMNEVGRSA-N 1 3 304.865 3.708 20 0 DHADHO CC[NH+](CC)Cc1cccc(CNCc2cccc(F)c2)c1 ZINC000069716111 1014774279 /nfs/dbraw/zinc/77/42/79/1014774279.db2.gz OQIOVOZPIDTTPH-UHFFFAOYSA-N 1 3 300.421 3.957 20 0 DHADHO c1nc(C2CCC2)sc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656785439 1015156283 /nfs/dbraw/zinc/15/62/83/1015156283.db2.gz HFOWIRPLCNNEMY-MRXNPFEDSA-N 1 3 319.518 3.622 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccs1 ZINC000178036447 1017151675 /nfs/dbraw/zinc/15/16/75/1017151675.db2.gz NGHQARCIHPZNTG-OAGGEKHMSA-N 1 3 310.507 3.678 20 0 DHADHO Fc1ccccc1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000157285294 1015493154 /nfs/dbraw/zinc/49/31/54/1015493154.db2.gz BUZDTROENPNCSG-UHFFFAOYSA-N 1 3 304.453 3.755 20 0 DHADHO C[NH+](C)CCC1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000891775605 1015609180 /nfs/dbraw/zinc/60/91/80/1015609180.db2.gz RJSXOBGUFLMKFE-UHFFFAOYSA-N 1 3 314.395 3.927 20 0 DHADHO COCCSc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000341752223 1015718298 /nfs/dbraw/zinc/71/82/98/1015718298.db2.gz UVAXPYFVERZPOH-WBVHZDCISA-N 1 3 322.518 3.560 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+]Cc1cc2ccncc2s1 ZINC000657292665 1016211308 /nfs/dbraw/zinc/21/13/08/1016211308.db2.gz CDQMZPUBSVNVMC-AWEZNQCLSA-N 1 3 303.475 3.650 20 0 DHADHO CCCOc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)c(C)c1 ZINC000657334270 1016360362 /nfs/dbraw/zinc/36/03/62/1016360362.db2.gz SKYKIAWAIDCKGW-UHFFFAOYSA-N 1 3 316.489 3.890 20 0 DHADHO CCCOc1ccc(C[NH2+]C[C@H]2CCCN(CC)C2)c(C)c1 ZINC000657337095 1016366724 /nfs/dbraw/zinc/36/67/24/1016366724.db2.gz IRFUMFVJKVRIJX-QGZVFWFLSA-N 1 3 304.478 3.605 20 0 DHADHO CCCOc1ccc(C[NH2+]C[C@@H]2CCCN(CC)C2)c(C)c1 ZINC000657337094 1016367393 /nfs/dbraw/zinc/36/73/93/1016367393.db2.gz IRFUMFVJKVRIJX-KRWDZBQOSA-N 1 3 304.478 3.605 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)C1 ZINC000281380573 1016482283 /nfs/dbraw/zinc/48/22/83/1016482283.db2.gz XFEXTOCPBQFEMX-CEXWTWQISA-N 1 3 315.505 3.738 20 0 DHADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346676835 1016507490 /nfs/dbraw/zinc/50/74/90/1016507490.db2.gz KSTJGBZZCOODKF-TZMCWYRMSA-N 1 3 304.434 3.723 20 0 DHADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001207282690 1016516485 /nfs/dbraw/zinc/51/64/85/1016516485.db2.gz NBDLKMBIOUXPJC-QGZVFWFLSA-N 1 3 324.896 3.771 20 0 DHADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001207282690 1016516496 /nfs/dbraw/zinc/51/64/96/1016516496.db2.gz NBDLKMBIOUXPJC-QGZVFWFLSA-N 1 3 324.896 3.771 20 0 DHADHO Cc1nc(C)c([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)s1 ZINC000171129980 1016536114 /nfs/dbraw/zinc/53/61/14/1016536114.db2.gz QQYPPKYYNKGZAQ-GFCCVEGCSA-N 1 3 303.475 3.672 20 0 DHADHO CC[C@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(OC)cc1 ZINC000336851239 1016722754 /nfs/dbraw/zinc/72/27/54/1016722754.db2.gz LPDLEYFFDXQKSS-LPHOPBHVSA-N 1 3 304.478 3.858 20 0 DHADHO CC(C)Cc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000475120362 1016974890 /nfs/dbraw/zinc/97/48/90/1016974890.db2.gz OXWZYUDFBPEOAF-UHFFFAOYSA-N 1 3 300.490 3.945 20 0 DHADHO CC(C)Cc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000475120362 1016974900 /nfs/dbraw/zinc/97/49/00/1016974900.db2.gz OXWZYUDFBPEOAF-UHFFFAOYSA-N 1 3 300.490 3.945 20 0 DHADHO COc1cc(CNCc2cccc(C[NH+](C)C)c2)ccc1Cl ZINC000623347994 1016980801 /nfs/dbraw/zinc/98/08/01/1016980801.db2.gz NTEVAZDTKWLJMQ-UHFFFAOYSA-N 1 3 318.848 3.700 20 0 DHADHO CC[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1C ZINC000623440826 1017047193 /nfs/dbraw/zinc/04/71/93/1017047193.db2.gz MODUMLIHXMVZDG-DLBZAZTESA-N 1 3 304.478 3.615 20 0 DHADHO CC[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccccc1C ZINC000623440826 1017047205 /nfs/dbraw/zinc/04/72/05/1017047205.db2.gz MODUMLIHXMVZDG-DLBZAZTESA-N 1 3 304.478 3.615 20 0 DHADHO CN1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)CC1(C)C ZINC000623496360 1017067413 /nfs/dbraw/zinc/06/74/13/1017067413.db2.gz RXGRMNIYHOXPTJ-LSDHHAIUSA-N 1 3 314.395 3.795 20 0 DHADHO CN(C)CC(C)(C)C[N@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC001308968076 1032278865 /nfs/dbraw/zinc/27/88/65/1032278865.db2.gz BTRDOEHXOWQJGA-UHFFFAOYSA-N 1 3 316.411 3.811 20 0 DHADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC001308968076 1032278872 /nfs/dbraw/zinc/27/88/72/1032278872.db2.gz BTRDOEHXOWQJGA-UHFFFAOYSA-N 1 3 316.411 3.811 20 0 DHADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000122836092 1032573854 /nfs/dbraw/zinc/57/38/54/1032573854.db2.gz CYXQTBWLOUKQOO-LBPRGKRZSA-N 1 3 312.379 3.983 20 0 DHADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171403585 1032591028 /nfs/dbraw/zinc/59/10/28/1032591028.db2.gz ZBUAMLIBOAWXOG-HNNXBMFYSA-N 1 3 304.453 3.663 20 0 DHADHO CC1(C)CC([NH3+])CC(C)(C)N1[C@H]1CCc2c(F)cccc2C1 ZINC001171403585 1032591033 /nfs/dbraw/zinc/59/10/33/1032591033.db2.gz ZBUAMLIBOAWXOG-HNNXBMFYSA-N 1 3 304.453 3.663 20 0 DHADHO [NH3+]CC1(c2ccccc2)CCN(Cc2cc(Cl)cs2)CC1 ZINC001206755394 1011963976 /nfs/dbraw/zinc/96/39/76/1011963976.db2.gz GDJGLVQFTBBNIC-UHFFFAOYSA-N 1 3 320.889 3.894 20 0 DHADHO [NH3+]C[C@H]1CC[C@@H](NCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000666962207 1032669273 /nfs/dbraw/zinc/66/92/73/1032669273.db2.gz LLZZBLOJONHTJA-DTWKUNHWSA-N 1 3 307.652 3.864 20 0 DHADHO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](C)CN(C)C)cc1F ZINC000425954681 1013009403 /nfs/dbraw/zinc/00/94/03/1013009403.db2.gz WOSYGIVPTCOKQH-UWWQBHOKSA-N 1 3 322.468 3.648 20 0 DHADHO COc1cc(C[NH2+]C[C@H]2CCCCN(C)C2)cc2ccccc21 ZINC000623657293 1017156711 /nfs/dbraw/zinc/15/67/11/1017156711.db2.gz MVFJPRRXAAJUES-MRXNPFEDSA-N 1 3 312.457 3.670 20 0 DHADHO Fc1ccccc1C1CC(NC2CC([NH+]3CCCCC3)C2)C1 ZINC000475559462 1017428062 /nfs/dbraw/zinc/42/80/62/1017428062.db2.gz OTBFJOSXJNNJIV-UHFFFAOYSA-N 1 3 302.437 3.678 20 0 DHADHO FC1(F)CC(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716694770 1032702387 /nfs/dbraw/zinc/70/23/87/1032702387.db2.gz TYRATLWBEGNURV-SZMVWBNQSA-N 1 3 320.427 3.674 20 0 DHADHO CC(C)SCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716683958 1032703910 /nfs/dbraw/zinc/70/39/10/1032703910.db2.gz VMGHTGRGSDUYCI-OTWHNJEPSA-N 1 3 318.530 3.771 20 0 DHADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@@H]1C ZINC000657612604 1017570085 /nfs/dbraw/zinc/57/00/85/1017570085.db2.gz AVZLFBGIGGUGRG-UWVAXJGDSA-N 1 3 315.505 3.708 20 0 DHADHO CCc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657612609 1017570847 /nfs/dbraw/zinc/57/08/47/1017570847.db2.gz AYSJFDCTWSWPKM-UHFFFAOYSA-N 1 3 323.484 3.646 20 0 DHADHO NCCC[N@H+](C1CCCCC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171453062 1032712229 /nfs/dbraw/zinc/71/22/29/1032712229.db2.gz LKWJSWHGHJWFLH-QGZVFWFLSA-N 1 3 322.443 3.806 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171453062 1032712242 /nfs/dbraw/zinc/71/22/42/1032712242.db2.gz LKWJSWHGHJWFLH-QGZVFWFLSA-N 1 3 322.443 3.806 20 0 DHADHO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120733 1017692591 /nfs/dbraw/zinc/69/25/91/1017692591.db2.gz FTQJGLOAAIROID-UKRRQHHQSA-N 1 3 309.523 3.957 20 0 DHADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCN(C)C1)CCS2 ZINC000624123360 1017696748 /nfs/dbraw/zinc/69/67/48/1017696748.db2.gz KPYFYTOWDHVUCA-RHSMWYFYSA-N 1 3 320.502 3.554 20 0 DHADHO COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000183059744 1017989740 /nfs/dbraw/zinc/98/97/40/1017989740.db2.gz YQRMPRDWASXXJH-QGZVFWFLSA-N 1 3 324.468 3.794 20 0 DHADHO Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000185715598 1018126346 /nfs/dbraw/zinc/12/63/46/1018126346.db2.gz IKXIDJBLSARZIB-HKUYNNGSSA-N 1 3 300.490 3.780 20 0 DHADHO COc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000380189341 1018133932 /nfs/dbraw/zinc/13/39/32/1018133932.db2.gz PRBCISHLEJVLFJ-YLJYHZDGSA-N 1 3 324.468 3.695 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](COCc2ccccc2)C(C)C)C1 ZINC000446741913 1018231936 /nfs/dbraw/zinc/23/19/36/1018231936.db2.gz CRMYFERMXXKPRY-PMACEKPBSA-N 1 3 318.505 3.549 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000566480970 1018264045 /nfs/dbraw/zinc/26/40/45/1018264045.db2.gz CWZQYSDZQGKIQK-GJZGRUSLSA-N 1 3 312.379 3.944 20 0 DHADHO CC(C)C[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccncc1 ZINC000647288128 1018383891 /nfs/dbraw/zinc/38/38/91/1018383891.db2.gz MUBQIILCVXFWGV-HKUYNNGSSA-N 1 3 303.494 3.879 20 0 DHADHO Fc1ccccc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000383652142 1018424355 /nfs/dbraw/zinc/42/43/55/1018424355.db2.gz JNSIBYUEWRHXAF-AZUAARDMSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1ccccc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000383652142 1018424360 /nfs/dbraw/zinc/42/43/60/1018424360.db2.gz JNSIBYUEWRHXAF-AZUAARDMSA-N 1 3 324.443 3.780 20 0 DHADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1nccc2ccccc21 ZINC000635013267 1018516085 /nfs/dbraw/zinc/51/60/85/1018516085.db2.gz ZRFDVIQZODCLRN-HNNXBMFYSA-N 1 3 317.436 3.731 20 0 DHADHO Cc1cccc2c1CC[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C2 ZINC001171553449 1032774402 /nfs/dbraw/zinc/77/44/02/1032774402.db2.gz QSACIDGIMNMLKJ-PKOBYXMFSA-N 1 3 300.490 3.706 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc(Oc2ccccc2F)c1 ZINC000650740351 1018626139 /nfs/dbraw/zinc/62/61/39/1018626139.db2.gz LCKFOXQRTDSEAB-KGLIPLIRSA-N 1 3 302.393 3.833 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000926523624 1018654716 /nfs/dbraw/zinc/65/47/16/1018654716.db2.gz DYZKPPRGFKZLGQ-MJGOQNOKSA-N 1 3 310.526 3.538 20 0 DHADHO CCc1nc2c(s1)[C@H](NCc1ccccc1C[NH2+]C)CCC2 ZINC000650758410 1018692090 /nfs/dbraw/zinc/69/20/90/1018692090.db2.gz OZFZQUZWXNUMJW-OAHLLOKOSA-N 1 3 315.486 3.592 20 0 DHADHO C1CC1[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000922898896 1018885038 /nfs/dbraw/zinc/88/50/38/1018885038.db2.gz ZGHREUPITMJTSQ-FXAWDEMLSA-N 1 3 320.521 3.578 20 0 DHADHO Cc1cccnc1C1(CNC2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171629724 1032793673 /nfs/dbraw/zinc/79/36/73/1032793673.db2.gz FBCSJVUJTCCOCF-UHFFFAOYSA-N 1 3 315.505 3.663 20 0 DHADHO CC1(C)C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)C(C)(C)O1 ZINC000922949415 1018934629 /nfs/dbraw/zinc/93/46/29/1018934629.db2.gz XPRIRRSDMBAUGD-INIZCTEOSA-N 1 3 322.537 3.967 20 0 DHADHO CN1C(C)(C)CC([NH2+]C(C)(C)CC2CCOCC2)CC1(C)C ZINC001171630031 1032796230 /nfs/dbraw/zinc/79/62/30/1032796230.db2.gz FQYAWKQCPYIXTR-UHFFFAOYSA-N 1 3 310.526 3.823 20 0 DHADHO Cc1cnc(Cl)c(CNCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000921537927 1018953964 /nfs/dbraw/zinc/95/39/64/1018953964.db2.gz ZUXBFSMLJRJFFO-HNNXBMFYSA-N 1 3 309.885 3.788 20 0 DHADHO Cc1cnc(Cl)c(CNCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000921537927 1018953976 /nfs/dbraw/zinc/95/39/76/1018953976.db2.gz ZUXBFSMLJRJFFO-HNNXBMFYSA-N 1 3 309.885 3.788 20 0 DHADHO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995785 1032802069 /nfs/dbraw/zinc/80/20/69/1032802069.db2.gz ZXPHXRGXBIXNSN-GOEBONIOSA-N 1 3 304.503 3.604 20 0 DHADHO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666995308 1032807650 /nfs/dbraw/zinc/80/76/50/1032807650.db2.gz JXSVJMBSFHPUIA-SQNIBIBYSA-N 1 3 302.437 3.726 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)CC3 ZINC000666995444 1032808919 /nfs/dbraw/zinc/80/89/19/1032808919.db2.gz NYHZRQSSAKQFGV-HZPDHXFCSA-N 1 3 323.484 3.598 20 0 DHADHO CN1C(C)(C)CC([NH2+]C(C)(C)Cc2ccncc2)CC1(C)C ZINC001171627116 1032809611 /nfs/dbraw/zinc/80/96/11/1032809611.db2.gz KRBUPBSYRRZFKT-UHFFFAOYSA-N 1 3 303.494 3.644 20 0 DHADHO C[C@H](CCCC(F)(F)F)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635006646 1019131316 /nfs/dbraw/zinc/13/13/16/1019131316.db2.gz MHFCPVHJNSZMRT-UKRRQHHQSA-N 1 3 302.384 3.657 20 0 DHADHO NC1CC([NH2+]C2CCC(c3ccc(Br)cc3)CC2)C1 ZINC001171648154 1032811761 /nfs/dbraw/zinc/81/17/61/1032811761.db2.gz OQIPTZIRBYUIBM-UHFFFAOYSA-N 1 3 323.278 3.555 20 0 DHADHO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000921981807 1019255650 /nfs/dbraw/zinc/25/56/50/1019255650.db2.gz XKSHJTIVEMXXSG-NBOOPKSLSA-N 1 3 310.551 3.903 20 0 DHADHO Cc1ccc(CC[C@H](C)N2CCC([NH3+])(CC3CC3)CC2)cc1 ZINC001171666357 1032823051 /nfs/dbraw/zinc/82/30/51/1032823051.db2.gz NIGRUJANAKLMKQ-KRWDZBQOSA-N 1 3 300.490 3.910 20 0 DHADHO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090218294 1019383672 /nfs/dbraw/zinc/38/36/72/1019383672.db2.gz NIIOQUMNZYDOSD-YLJYHZDGSA-N 1 3 322.537 3.824 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](c3cccnc3)C2)CC1(C)C ZINC001171637408 1032832976 /nfs/dbraw/zinc/83/29/76/1032832976.db2.gz MOADZYUPRJNSRW-INIZCTEOSA-N 1 3 301.478 3.522 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CC[C@H](c3cccnc3)C2)CC1(C)C ZINC001171637408 1032832989 /nfs/dbraw/zinc/83/29/89/1032832989.db2.gz MOADZYUPRJNSRW-INIZCTEOSA-N 1 3 301.478 3.522 20 0 DHADHO CCCCCCN1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171637880 1032834955 /nfs/dbraw/zinc/83/49/55/1032834955.db2.gz QRXHQUCRQMYILK-UHFFFAOYSA-N 1 3 323.569 3.836 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CCOC[C@H]2C2CCCCC2)CC1(C)C ZINC001171640350 1032835475 /nfs/dbraw/zinc/83/54/75/1032835475.db2.gz DLXAUSRDLCJSDA-SFHVURJKSA-N 1 3 322.537 3.919 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CCOC[C@H]2C2CCCCC2)CC1(C)C ZINC001171640350 1032835476 /nfs/dbraw/zinc/83/54/76/1032835476.db2.gz DLXAUSRDLCJSDA-SFHVURJKSA-N 1 3 322.537 3.919 20 0 DHADHO COc1cccc2c1C[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171642241 1032838755 /nfs/dbraw/zinc/83/87/55/1032838755.db2.gz HNBUBBFSBPJZGN-UHFFFAOYSA-N 1 3 302.462 3.662 20 0 DHADHO COc1cccc2c1C[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171642241 1032838772 /nfs/dbraw/zinc/83/87/72/1032838772.db2.gz HNBUBBFSBPJZGN-UHFFFAOYSA-N 1 3 302.462 3.662 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2scnc2C2CC2)CC1 ZINC000495084022 1019574238 /nfs/dbraw/zinc/57/42/38/1019574238.db2.gz YJCDHQRREJNNCF-UHFFFAOYSA-N 1 3 307.507 3.574 20 0 DHADHO Cc1ncsc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769356 1019580439 /nfs/dbraw/zinc/58/04/39/1019580439.db2.gz SEZRGERANNUHKI-UHFFFAOYSA-N 1 3 307.507 3.540 20 0 DHADHO COc1cccc(C[C@@H](NCCC[NH+](C)C)c2ccccc2)c1 ZINC000151919868 1019731973 /nfs/dbraw/zinc/73/19/73/1019731973.db2.gz FBUKDVSLLXGZBY-HXUWFJFHSA-N 1 3 312.457 3.520 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1cccc(O)c1 ZINC000685429105 1019817207 /nfs/dbraw/zinc/81/72/07/1019817207.db2.gz DTDJXOCQCRQDKB-UWVAXJGDSA-N 1 3 324.468 3.953 20 0 DHADHO CCc1ccc(C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166796574 1019824310 /nfs/dbraw/zinc/82/43/10/1019824310.db2.gz YTQPXEXDKBZMRA-RTBURBONSA-N 1 3 300.490 3.743 20 0 DHADHO CCc1ccc(C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166796574 1019824324 /nfs/dbraw/zinc/82/43/24/1019824324.db2.gz YTQPXEXDKBZMRA-RTBURBONSA-N 1 3 300.490 3.743 20 0 DHADHO CCN(Cc1n[nH]c2ccccc21)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456412 1019835040 /nfs/dbraw/zinc/83/50/40/1019835040.db2.gz GHBQBLAZJCWPGD-UHFFFAOYSA-N 1 3 322.456 3.647 20 0 DHADHO CC[C@H](COCC1CC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000658090255 1020136188 /nfs/dbraw/zinc/13/61/88/1020136188.db2.gz HGFJTKNRCMANDP-YVWKXTFCSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H]1CCCCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165217 1020197932 /nfs/dbraw/zinc/19/79/32/1020197932.db2.gz QGXWFEHCHLQZLL-PXNSSMCTSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccsc1 ZINC000658167714 1020200884 /nfs/dbraw/zinc/20/08/84/1020200884.db2.gz TYKKRRDDEXCZHJ-OAHLLOKOSA-N 1 3 315.486 3.706 20 0 DHADHO COc1ccc2ccccc2c1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922682744 1020207129 /nfs/dbraw/zinc/20/71/29/1020207129.db2.gz AYLDNJODXGQANG-QZTJIDSGSA-N 1 3 324.468 3.607 20 0 DHADHO COc1ccc2ccccc2c1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922682744 1020207142 /nfs/dbraw/zinc/20/71/42/1020207142.db2.gz AYLDNJODXGQANG-QZTJIDSGSA-N 1 3 324.468 3.607 20 0 DHADHO COc1ccc2ccccc2c1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922682746 1020207313 /nfs/dbraw/zinc/20/73/13/1020207313.db2.gz AYLDNJODXGQANG-ZWKOTPCHSA-N 1 3 324.468 3.607 20 0 DHADHO COc1ccc2ccccc2c1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922682746 1020207322 /nfs/dbraw/zinc/20/73/22/1020207322.db2.gz AYLDNJODXGQANG-ZWKOTPCHSA-N 1 3 324.468 3.607 20 0 DHADHO Fc1cccc2c1C[C@@H](NC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001171784823 1032883613 /nfs/dbraw/zinc/88/36/13/1032883613.db2.gz HRASRSHRKWUSRX-SFHVURJKSA-N 1 3 316.464 3.537 20 0 DHADHO Fc1cccc2c1C[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001171784823 1032883632 /nfs/dbraw/zinc/88/36/32/1032883632.db2.gz HRASRSHRKWUSRX-SFHVURJKSA-N 1 3 316.464 3.537 20 0 DHADHO CO[C@@H](CNC1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000658330449 1020293297 /nfs/dbraw/zinc/29/32/97/1020293297.db2.gz RXSBXGLNEUNCJP-IBGZPJMESA-N 1 3 308.510 3.578 20 0 DHADHO CO[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)C1CCCCC1 ZINC000658330449 1020293303 /nfs/dbraw/zinc/29/33/03/1020293303.db2.gz RXSBXGLNEUNCJP-IBGZPJMESA-N 1 3 308.510 3.578 20 0 DHADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C1CCCC1 ZINC000658313610 1020295224 /nfs/dbraw/zinc/29/52/24/1020295224.db2.gz DWHVGEZATDDGDR-NSISKUIASA-N 1 3 322.537 3.824 20 0 DHADHO CC1([NH+]2CCC2)CCC(NCc2cc(F)c(F)cc2F)CC1 ZINC000922846337 1020305325 /nfs/dbraw/zinc/30/53/25/1020305325.db2.gz CGPWGLWSBJYIKX-UHFFFAOYSA-N 1 3 312.379 3.601 20 0 DHADHO COc1ccccc1C[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000310372442 1020382756 /nfs/dbraw/zinc/38/27/56/1020382756.db2.gz OHEQCYWHPYMESG-NRFANRHFSA-N 1 3 324.468 3.697 20 0 DHADHO C[C@H](Cc1ccccn1)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000655836249 1020410532 /nfs/dbraw/zinc/41/05/32/1020410532.db2.gz GRQBJORKPOOGCA-HLIPFELVSA-N 1 3 315.505 3.645 20 0 DHADHO CCC[C@@H](C)CCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000625260527 1020436104 /nfs/dbraw/zinc/43/61/04/1020436104.db2.gz SJLVZKVERKXOHK-LJQANCHMSA-N 1 3 323.569 3.693 20 0 DHADHO COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1C ZINC000858491157 1032915611 /nfs/dbraw/zinc/91/56/11/1032915611.db2.gz ZHEIHAHYMAMUJC-DLBZAZTESA-N 1 3 304.478 3.695 20 0 DHADHO Cc1ccncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000280960766 1020744431 /nfs/dbraw/zinc/74/44/31/1020744431.db2.gz SHDJXINFJPXWOR-SEJPIABJSA-N 1 3 321.468 3.675 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414349909 1021120408 /nfs/dbraw/zinc/12/04/08/1021120408.db2.gz YKEHQNKVOJKINR-OQIJWPOYSA-N 1 3 310.441 3.636 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414349909 1021120415 /nfs/dbraw/zinc/12/04/15/1021120415.db2.gz YKEHQNKVOJKINR-OQIJWPOYSA-N 1 3 310.441 3.636 20 0 DHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC(N(C)C)CC1 ZINC001171971589 1032956331 /nfs/dbraw/zinc/95/63/31/1032956331.db2.gz WRJDCSRAJKCHBK-ZDUSSCGKSA-N 1 3 314.395 3.662 20 0 DHADHO CC(C)(C[NH2+]C1CCC2(COC(C)(C)C2)CC1)CN1CCCC1 ZINC001202242116 1021193592 /nfs/dbraw/zinc/19/35/92/1021193592.db2.gz KLYWNCWUMDNHDS-UHFFFAOYSA-N 1 3 322.537 3.826 20 0 DHADHO FC(F)(F)CC[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001202352869 1021224027 /nfs/dbraw/zinc/22/40/27/1021224027.db2.gz UECFJQXUWZJWJB-UHFFFAOYSA-N 1 3 312.379 3.537 20 0 DHADHO C[C@@H]1C[N@@H+]([C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)[C@H](C)CO1 ZINC001171986197 1032971150 /nfs/dbraw/zinc/97/11/50/1032971150.db2.gz GJWRQOAZSGVJCP-ZHALLVOQSA-N 1 3 316.489 3.539 20 0 DHADHO C[C@@H]1C[N@H+]([C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)[C@H](C)CO1 ZINC001171986197 1032971160 /nfs/dbraw/zinc/97/11/60/1032971160.db2.gz GJWRQOAZSGVJCP-ZHALLVOQSA-N 1 3 316.489 3.539 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(OC(F)F)c1 ZINC000624119497 1021347423 /nfs/dbraw/zinc/34/74/23/1021347423.db2.gz CZZUDAAWIOUZNS-KGLIPLIRSA-N 1 3 312.404 3.671 20 0 DHADHO C[C@H](N)c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172074194 1032982001 /nfs/dbraw/zinc/98/20/01/1032982001.db2.gz VHMMSUZGIQDIIK-GDAAHCPNSA-N 1 3 324.472 3.661 20 0 DHADHO C[C@H](N)c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172074194 1032982015 /nfs/dbraw/zinc/98/20/15/1032982015.db2.gz VHMMSUZGIQDIIK-GDAAHCPNSA-N 1 3 324.472 3.661 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058517 1021508924 /nfs/dbraw/zinc/50/89/24/1021508924.db2.gz LCYIBQGVERYOFG-HUUCEWRRSA-N 1 3 300.421 3.971 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058517 1021508928 /nfs/dbraw/zinc/50/89/28/1021508928.db2.gz LCYIBQGVERYOFG-HUUCEWRRSA-N 1 3 300.421 3.971 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058517 1021508932 /nfs/dbraw/zinc/50/89/32/1021508932.db2.gz LCYIBQGVERYOFG-HUUCEWRRSA-N 1 3 300.421 3.971 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cc(C)ccc1OC ZINC000624122253 1021510609 /nfs/dbraw/zinc/51/06/09/1021510609.db2.gz NDUCIGVNJSUJLI-FUHWJXTLSA-N 1 3 304.478 3.776 20 0 DHADHO CCCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062894 1032987796 /nfs/dbraw/zinc/98/77/96/1032987796.db2.gz AJUWPFOEURRDLQ-ACDBMABISA-N 1 3 316.489 3.588 20 0 DHADHO CCCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062894 1032987807 /nfs/dbraw/zinc/98/78/07/1032987807.db2.gz AJUWPFOEURRDLQ-ACDBMABISA-N 1 3 316.489 3.588 20 0 DHADHO CCCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062896 1032990169 /nfs/dbraw/zinc/99/01/69/1032990169.db2.gz AJUWPFOEURRDLQ-OWZKRDHZSA-N 1 3 316.489 3.588 20 0 DHADHO CCCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062896 1032990176 /nfs/dbraw/zinc/99/01/76/1032990176.db2.gz AJUWPFOEURRDLQ-OWZKRDHZSA-N 1 3 316.489 3.588 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3ccc(Cl)cc31)C2 ZINC001172107546 1033009943 /nfs/dbraw/zinc/00/99/43/1033009943.db2.gz ZKEWLYBQFBKEGA-XLMAVXFVSA-N 1 3 304.865 3.932 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3ccc(Cl)cc31)C2 ZINC001172107546 1033009954 /nfs/dbraw/zinc/00/99/54/1033009954.db2.gz ZKEWLYBQFBKEGA-XLMAVXFVSA-N 1 3 304.865 3.932 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCCc3cc(F)ccc31)C2 ZINC001172110309 1033013086 /nfs/dbraw/zinc/01/30/86/1033013086.db2.gz LFDSWVFKOJGMIA-ZMMAXQRCSA-N 1 3 302.437 3.808 20 0 DHADHO CCOc1ccc([C@@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172109574 1033013320 /nfs/dbraw/zinc/01/33/20/1033013320.db2.gz FHLVABKDKVDNTJ-NRSFXHEJSA-N 1 3 302.462 3.751 20 0 DHADHO CCOc1ccc([C@@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172109574 1033013331 /nfs/dbraw/zinc/01/33/31/1033013331.db2.gz FHLVABKDKVDNTJ-NRSFXHEJSA-N 1 3 302.462 3.751 20 0 DHADHO c1ccc(CN2CCC(Nc3cc[nH+]c4ccccc34)CC2)nc1 ZINC000264617762 1033014065 /nfs/dbraw/zinc/01/40/65/1033014065.db2.gz FOLSIYLTNCQLGM-UHFFFAOYSA-N 1 3 318.424 3.706 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccccc2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000556872399 1021915832 /nfs/dbraw/zinc/91/58/32/1021915832.db2.gz XTLNIPTVYJFLIM-BPUTZDHNSA-N 1 3 312.379 3.668 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccccc2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000556872399 1021915842 /nfs/dbraw/zinc/91/58/42/1021915842.db2.gz XTLNIPTVYJFLIM-BPUTZDHNSA-N 1 3 312.379 3.668 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000556872399 1021915848 /nfs/dbraw/zinc/91/58/48/1021915848.db2.gz XTLNIPTVYJFLIM-BPUTZDHNSA-N 1 3 312.379 3.668 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCCc3cc(F)ccc31)C2 ZINC001172110309 1033013074 /nfs/dbraw/zinc/01/30/74/1033013074.db2.gz LFDSWVFKOJGMIA-ZMMAXQRCSA-N 1 3 302.437 3.808 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3ccc(Cl)cc31)C2 ZINC001172113201 1033019455 /nfs/dbraw/zinc/01/94/55/1033019455.db2.gz HLBZNOCPDDEQEP-JYYAWHABSA-N 1 3 320.864 3.769 20 0 DHADHO COc1cccc(C(C)(C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172112916 1033021115 /nfs/dbraw/zinc/02/11/15/1033021115.db2.gz CTPWRWJFKDHYAL-BJWYYQGGSA-N 1 3 302.462 3.535 20 0 DHADHO COc1cccc(C(C)(C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172112916 1033021128 /nfs/dbraw/zinc/02/11/28/1033021128.db2.gz CTPWRWJFKDHYAL-BJWYYQGGSA-N 1 3 302.462 3.535 20 0 DHADHO c1ccc(CN2CCCC[C@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000309887746 1022181034 /nfs/dbraw/zinc/18/10/34/1022181034.db2.gz ADFWSPNALPKXAP-WOJBJXKFSA-N 1 3 314.473 3.571 20 0 DHADHO C[C@H]1CN(Cc2cccc(Cl)c2Cl)CCC[C@@H]1C[NH3+] ZINC001205996608 1022221301 /nfs/dbraw/zinc/22/13/01/1022221301.db2.gz XVBDGXFZILGABA-NWDGAFQWSA-N 1 3 301.261 3.800 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cnc(-c3ccccc3)s1)C2 ZINC001169096484 1022244197 /nfs/dbraw/zinc/24/41/97/1022244197.db2.gz XKLTXXKRGXUFFF-PHZGNYQRSA-N 1 3 313.470 3.525 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3cccc(C(F)(F)F)c3)CC1)C2 ZINC001169100100 1022246002 /nfs/dbraw/zinc/24/60/02/1022246002.db2.gz GCSXIUNEKQEDHS-PHZGNYQRSA-N 1 3 324.390 3.909 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C/C(=C/F)CCc1ccc(F)cc1)C2 ZINC001169102090 1022246700 /nfs/dbraw/zinc/24/67/00/1022246700.db2.gz WZOJOWDIKURFLB-NPYQLAMWSA-N 1 3 320.427 3.827 20 0 DHADHO CCCN1C[C@@H]2C[NH+]([C@H](Cc3ccccc3)CC(C)C)C[C@H]2C1 ZINC001169085914 1022253789 /nfs/dbraw/zinc/25/37/89/1022253789.db2.gz PTRACXHFMDAWHY-NJYVYQBISA-N 1 3 314.517 3.917 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000163238934 1022344052 /nfs/dbraw/zinc/34/40/52/1022344052.db2.gz NRNZXJKSCYIPQD-HOTGVXAUSA-N 1 3 312.457 3.841 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCc2nsc3ccccc32)[C@@H](C)C1 ZINC000660081535 1022443572 /nfs/dbraw/zinc/44/35/72/1022443572.db2.gz HOMIYHZIDKOPRB-YOEHRIQHSA-N 1 3 317.502 3.501 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCc2nsc3ccccc32)[C@@H](C)C1 ZINC000660081535 1022443582 /nfs/dbraw/zinc/44/35/82/1022443582.db2.gz HOMIYHZIDKOPRB-YOEHRIQHSA-N 1 3 317.502 3.501 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000156804690 1022494651 /nfs/dbraw/zinc/49/46/51/1022494651.db2.gz BKCSWRHDOKIQQG-JKSUJKDBSA-N 1 3 304.478 3.856 20 0 DHADHO Cc1ccc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nc1 ZINC000157079360 1022519110 /nfs/dbraw/zinc/51/91/10/1022519110.db2.gz KQKMMMKTPFHUQU-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1ccc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nc1 ZINC000157079360 1022519121 /nfs/dbraw/zinc/51/91/21/1022519121.db2.gz KQKMMMKTPFHUQU-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc(Cl)c1Cl ZINC000158114437 1022602629 /nfs/dbraw/zinc/60/26/29/1022602629.db2.gz XQWGNXLIHYPMKV-NWDGAFQWSA-N 1 3 301.261 3.986 20 0 DHADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(Cl)cc2C)CC1 ZINC001172250069 1033069147 /nfs/dbraw/zinc/06/91/47/1033069147.db2.gz NZUHZRUHRGVUEH-OAHLLOKOSA-N 1 3 324.896 3.800 20 0 DHADHO CCC[C@H](C)[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605378 1022836645 /nfs/dbraw/zinc/83/66/45/1022836645.db2.gz WJKFTOMZHIYWOG-LPHOPBHVSA-N 1 3 319.493 3.564 20 0 DHADHO CCC[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605378 1022836656 /nfs/dbraw/zinc/83/66/56/1022836656.db2.gz WJKFTOMZHIYWOG-LPHOPBHVSA-N 1 3 319.493 3.564 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCc2c(OC(F)F)ccc3ccccc32)C1 ZINC000414926233 1022921264 /nfs/dbraw/zinc/92/12/64/1022921264.db2.gz NBFVELXTATWWBO-KBPBESRZSA-N 1 3 320.383 3.801 20 0 DHADHO C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1F ZINC000298487497 1023032254 /nfs/dbraw/zinc/03/22/54/1023032254.db2.gz PSJFBJFJTONPPN-ZDUSSCGKSA-N 1 3 317.383 3.679 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2OC(C)C)[C@H](C)C1 ZINC000167692525 1023042736 /nfs/dbraw/zinc/04/27/36/1023042736.db2.gz GKWCXFJHTRIHCM-SJLPKXTDSA-N 1 3 304.478 3.602 20 0 DHADHO CC(C)c1ccccc1OCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000089597390 1023090866 /nfs/dbraw/zinc/09/08/66/1023090866.db2.gz PVRFYHQWVCZVRK-JFIYKMOQSA-N 1 3 304.478 3.507 20 0 DHADHO CC(C)c1ccccc1OCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000089597390 1023090872 /nfs/dbraw/zinc/09/08/72/1023090872.db2.gz PVRFYHQWVCZVRK-JFIYKMOQSA-N 1 3 304.478 3.507 20 0 DHADHO CCc1cnccc1[C@H](C)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000925684290 1023131324 /nfs/dbraw/zinc/13/13/24/1023131324.db2.gz GIVZJNOLCGEOAC-INIZCTEOSA-N 1 3 303.494 3.805 20 0 DHADHO CCCCCC[C@@H](CCC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001172379482 1033114988 /nfs/dbraw/zinc/11/49/88/1033114988.db2.gz UJBMZTVCTAUITL-LJQANCHMSA-N 1 3 311.558 3.741 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000769876893 1023239400 /nfs/dbraw/zinc/23/94/00/1023239400.db2.gz UXXOUHIJBOPMEW-HUUCEWRRSA-N 1 3 307.482 3.708 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000769876893 1023239403 /nfs/dbraw/zinc/23/94/03/1023239403.db2.gz UXXOUHIJBOPMEW-HUUCEWRRSA-N 1 3 307.482 3.708 20 0 DHADHO COC[C@H](CC(C)(C)C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000651692282 1023471728 /nfs/dbraw/zinc/47/17/28/1023471728.db2.gz ARPMEVALOGTZCR-SFHVURJKSA-N 1 3 310.526 3.682 20 0 DHADHO COC[C@H](CC(C)(C)C)NC1CC[NH+](CC2CCCC2)CC1 ZINC000651692282 1023471731 /nfs/dbraw/zinc/47/17/31/1023471731.db2.gz ARPMEVALOGTZCR-SFHVURJKSA-N 1 3 310.526 3.682 20 0 DHADHO C[C@@H]1CC[C@@H]([NH+]2CCC(N)(Cc3ccccc3)CC2)C[C@H]1C ZINC001172368510 1033148683 /nfs/dbraw/zinc/14/86/83/1033148683.db2.gz ITPBBRJPWACPOL-ZHALLVOQSA-N 1 3 300.490 3.847 20 0 DHADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C[C@@H]1C ZINC001172371890 1033151357 /nfs/dbraw/zinc/15/13/57/1033151357.db2.gz VQSOMLUNUHSVRX-FUHIMQAGSA-N 1 3 315.505 3.708 20 0 DHADHO FCC[C@H]1CCCN(CCC[N@@H+]2CCC[C@H](CCF)C2)C1 ZINC000661690133 1023687343 /nfs/dbraw/zinc/68/73/43/1023687343.db2.gz JPEWVJPYTKCDFC-IAGOWNOFSA-N 1 3 302.453 3.520 20 0 DHADHO FCC[C@H]1CCCN(CCC[N@H+]2CCC[C@H](CCF)C2)C1 ZINC000661690133 1023687345 /nfs/dbraw/zinc/68/73/45/1023687345.db2.gz JPEWVJPYTKCDFC-IAGOWNOFSA-N 1 3 302.453 3.520 20 0 DHADHO COc1cccc([C@]2(C)CC[N@H+](CCCN3CCCCC3)C2)c1 ZINC000661711843 1023701897 /nfs/dbraw/zinc/70/18/97/1023701897.db2.gz KGPRFVLZBQSALC-HXUWFJFHSA-N 1 3 316.489 3.535 20 0 DHADHO COc1cccc([C@]2(C)CC[N@@H+](CCCN3CCCCC3)C2)c1 ZINC000661711843 1023701902 /nfs/dbraw/zinc/70/19/02/1023701902.db2.gz KGPRFVLZBQSALC-HXUWFJFHSA-N 1 3 316.489 3.535 20 0 DHADHO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000249580054 1023920411 /nfs/dbraw/zinc/92/04/11/1023920411.db2.gz NDSAYEIRUVEZPM-LPHOPBHVSA-N 1 3 316.489 3.783 20 0 DHADHO CCN([C@H]1CCOC1)C1CC[NH+]([C@@H](C)CCCC(C)C)CC1 ZINC001170088696 1023927815 /nfs/dbraw/zinc/92/78/15/1023927815.db2.gz YCJHICADSVOAOH-HKUYNNGSSA-N 1 3 310.526 3.776 20 0 DHADHO C[N@H+](CCCN)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408353 1023984941 /nfs/dbraw/zinc/98/49/41/1023984941.db2.gz ZYMYPHHVLNUSFE-GJZGRUSLSA-N 1 3 300.368 3.622 20 0 DHADHO C[N@@H+](CCCN)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408353 1023984954 /nfs/dbraw/zinc/98/49/54/1023984954.db2.gz ZYMYPHHVLNUSFE-GJZGRUSLSA-N 1 3 300.368 3.622 20 0 DHADHO CN(CCC[NH3+])[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408353 1023984964 /nfs/dbraw/zinc/98/49/64/1023984964.db2.gz ZYMYPHHVLNUSFE-GJZGRUSLSA-N 1 3 300.368 3.622 20 0 DHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000876896697 1033179167 /nfs/dbraw/zinc/17/91/67/1033179167.db2.gz LBABJRKZKRGXSM-QYWGDWMGSA-N 1 3 318.442 3.564 20 0 DHADHO CN(Cc1cc2ccccc2o1)Cc1cccc2c1CC[NH2+]C2 ZINC000662255227 1024034811 /nfs/dbraw/zinc/03/48/11/1024034811.db2.gz BLUBDCDEHUZVMY-UHFFFAOYSA-N 1 3 306.409 3.711 20 0 DHADHO FC(F)c1cccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662293558 1024073450 /nfs/dbraw/zinc/07/34/50/1024073450.db2.gz LWJBYTSLHDHPON-KRWDZBQOSA-N 1 3 308.416 3.836 20 0 DHADHO C[C@H](c1cc(F)ccc1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298412 1024081939 /nfs/dbraw/zinc/08/19/39/1024081939.db2.gz WAMSEBTVXZCNJB-UKRRQHHQSA-N 1 3 308.416 3.737 20 0 DHADHO Cc1cc(N2CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)c2ccccc2n1 ZINC001170132842 1024269940 /nfs/dbraw/zinc/26/99/40/1024269940.db2.gz OGXBMBIDXGRRIX-DOTOQJQBSA-N 1 3 309.457 3.854 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H](CO)CCC(C)(C)C)CC2)C1 ZINC000475682592 1024313799 /nfs/dbraw/zinc/31/37/99/1024313799.db2.gz SKSARVAQRQTKHS-NEWSRXKRSA-N 1 3 324.553 3.806 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H](CO)CCC(C)(C)C)CC2)C1 ZINC000475682592 1024313814 /nfs/dbraw/zinc/31/38/14/1024313814.db2.gz SKSARVAQRQTKHS-NEWSRXKRSA-N 1 3 324.553 3.806 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CCCc2cccnc2)C1 ZINC000453115938 1024344540 /nfs/dbraw/zinc/34/45/40/1024344540.db2.gz XIVRQGRTNJQQKO-MJGOQNOKSA-N 1 3 303.494 3.503 20 0 DHADHO C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663464191 1024400476 /nfs/dbraw/zinc/40/04/76/1024400476.db2.gz DHTBWYIJRVCVHT-UKRRQHHQSA-N 1 3 306.416 3.819 20 0 DHADHO C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468066 1024405169 /nfs/dbraw/zinc/40/51/69/1024405169.db2.gz KCSVLAJBAZVAOP-WMZOPIPTSA-N 1 3 318.480 3.858 20 0 DHADHO FC1(F)CC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453210865 1024405545 /nfs/dbraw/zinc/40/55/45/1024405545.db2.gz MOYUUWDOFYNLDM-RCCFBDPRSA-N 1 3 320.427 3.817 20 0 DHADHO FC1(F)CC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453210865 1024405548 /nfs/dbraw/zinc/40/55/48/1024405548.db2.gz MOYUUWDOFYNLDM-RCCFBDPRSA-N 1 3 320.427 3.817 20 0 DHADHO C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468063 1024405707 /nfs/dbraw/zinc/40/57/07/1024405707.db2.gz KCSVLAJBAZVAOP-FUHWJXTLSA-N 1 3 318.480 3.858 20 0 DHADHO CC[C@H](Cc1cccs1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468958 1024415501 /nfs/dbraw/zinc/41/55/01/1024415501.db2.gz NREHJOSXGBWKHF-IAGOWNOFSA-N 1 3 306.519 3.781 20 0 DHADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883438875 1024436552 /nfs/dbraw/zinc/43/65/52/1024436552.db2.gz DXZCWSCHHAHTND-NSHGMRRFSA-N 1 3 316.489 3.604 20 0 DHADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883438875 1024436560 /nfs/dbraw/zinc/43/65/60/1024436560.db2.gz DXZCWSCHHAHTND-NSHGMRRFSA-N 1 3 316.489 3.604 20 0 DHADHO C[N@H+](CCCCN[C@@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000453397999 1024498157 /nfs/dbraw/zinc/49/81/57/1024498157.db2.gz KFPYTVLSARPBQZ-FQEVSTJZSA-N 1 3 309.457 3.635 20 0 DHADHO C[N@@H+](CCCCN[C@@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000453397999 1024498175 /nfs/dbraw/zinc/49/81/75/1024498175.db2.gz KFPYTVLSARPBQZ-FQEVSTJZSA-N 1 3 309.457 3.635 20 0 DHADHO CC[NH+](CC)CCC[C@H](C)N(C)Cc1nc2ccccc2o1 ZINC001167838486 1024623014 /nfs/dbraw/zinc/62/30/14/1024623014.db2.gz VMODRIYRDAZQLH-HNNXBMFYSA-N 1 3 303.450 3.770 20 0 DHADHO c1ccc([C@H]2C[C@@H](NCCOC3CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000877071051 1033227080 /nfs/dbraw/zinc/22/70/80/1033227080.db2.gz CIOQPNLROMPNSY-FXAWDEMLSA-N 1 3 314.473 3.513 20 0 DHADHO c1ccc([C@H]2C[C@@H](NCCOC3CCC3)CC[N@H+]2C2CC2)cc1 ZINC000877071051 1033227086 /nfs/dbraw/zinc/22/70/86/1033227086.db2.gz CIOQPNLROMPNSY-FXAWDEMLSA-N 1 3 314.473 3.513 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173040954 1033506895 /nfs/dbraw/zinc/50/68/95/1033506895.db2.gz QSQNVMBTPUUKKZ-KRWDZBQOSA-N 1 3 308.510 3.580 20 0 DHADHO Cc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000162841657 1024900938 /nfs/dbraw/zinc/90/09/38/1024900938.db2.gz KMUPFGKPIIVQSE-IJEWVQPXSA-N 1 3 310.507 3.597 20 0 DHADHO c1ccc([C@@H]2CC[C@H]([NH+]3CCN(c4ccncc4)CC3)C2)cc1 ZINC001172559545 1033256417 /nfs/dbraw/zinc/25/64/17/1033256417.db2.gz ZGKURWMQKLZIRP-QUCCMNQESA-N 1 3 307.441 3.540 20 0 DHADHO COCCCC[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000348327970 1025183271 /nfs/dbraw/zinc/18/32/71/1025183271.db2.gz UQQBKXHZCALVQA-RTBURBONSA-N 1 3 304.478 3.618 20 0 DHADHO COCCCC[C@@H](NCC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000348327970 1025183279 /nfs/dbraw/zinc/18/32/79/1025183279.db2.gz UQQBKXHZCALVQA-RTBURBONSA-N 1 3 304.478 3.618 20 0 DHADHO COCCCC[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccccc1 ZINC000348327970 1025183287 /nfs/dbraw/zinc/18/32/87/1025183287.db2.gz UQQBKXHZCALVQA-RTBURBONSA-N 1 3 304.478 3.618 20 0 DHADHO Cc1scc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1C ZINC000635024371 1025218866 /nfs/dbraw/zinc/21/88/66/1025218866.db2.gz XHSIQFCOFNUXEW-QZTJIDSGSA-N 1 3 300.471 3.948 20 0 DHADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCCc2cc(OC)ccc21 ZINC000353970088 1025307743 /nfs/dbraw/zinc/30/77/43/1025307743.db2.gz BPPAUBBWKCZWDV-QFBILLFUSA-N 1 3 302.462 3.537 20 0 DHADHO CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCCc2cc(OC)ccc21 ZINC000353970088 1025307754 /nfs/dbraw/zinc/30/77/54/1025307754.db2.gz BPPAUBBWKCZWDV-QFBILLFUSA-N 1 3 302.462 3.537 20 0 DHADHO COc1ccc2cc([C@H](C)NC[C@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000124355360 1025337353 /nfs/dbraw/zinc/33/73/53/1025337353.db2.gz UXLUVRGVOUXACJ-JKSUJKDBSA-N 1 3 324.468 3.983 20 0 DHADHO COc1ccc2cc([C@H](C)NC[C@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000124355360 1025337371 /nfs/dbraw/zinc/33/73/71/1025337371.db2.gz UXLUVRGVOUXACJ-JKSUJKDBSA-N 1 3 324.468 3.983 20 0 DHADHO CC(C)CCN1CCC([NH2+]CC(C)(C)C2CCOCC2)CC1 ZINC000897441259 1025338280 /nfs/dbraw/zinc/33/82/80/1025338280.db2.gz BDHRDLRNAOAOGS-UHFFFAOYSA-N 1 3 310.526 3.539 20 0 DHADHO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660661325 1025421925 /nfs/dbraw/zinc/42/19/25/1025421925.db2.gz ZZWMIUIRKAYQMN-RDTXWAMCSA-N 1 3 324.415 3.767 20 0 DHADHO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660661325 1025421932 /nfs/dbraw/zinc/42/19/32/1025421932.db2.gz ZZWMIUIRKAYQMN-RDTXWAMCSA-N 1 3 324.415 3.767 20 0 DHADHO C[C@H](CC[NH2+][C@H]1CCOC2(CCCCC2)C1)N1CCCCC1 ZINC000886062481 1025461163 /nfs/dbraw/zinc/46/11/63/1025461163.db2.gz PXTNUKVLXLARLN-MSOLQXFVSA-N 1 3 308.510 3.722 20 0 DHADHO c1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1CCC2 ZINC000355217282 1025643630 /nfs/dbraw/zinc/64/36/30/1025643630.db2.gz GGEZVLYDFLCPBQ-FPOVZHCZSA-N 1 3 310.485 3.624 20 0 DHADHO c1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1CCC2 ZINC000355217282 1025643637 /nfs/dbraw/zinc/64/36/37/1025643637.db2.gz GGEZVLYDFLCPBQ-FPOVZHCZSA-N 1 3 310.485 3.624 20 0 DHADHO COC1(C[C@@H](C)[NH2+]C2CCN(CC3CCCCC3)CC2)CCC1 ZINC000759989614 1025812261 /nfs/dbraw/zinc/81/22/61/1025812261.db2.gz SUUQZFWPBZZRQG-QGZVFWFLSA-N 1 3 322.537 3.968 20 0 DHADHO CN(Cc1cscc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000356222191 1025987153 /nfs/dbraw/zinc/98/71/53/1025987153.db2.gz JNKKPWXZLCPBBU-UHFFFAOYSA-N 1 3 306.397 3.541 20 0 DHADHO [NH3+]C1(c2cccc(C(F)(F)F)c2)CCN([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918756 1026084601 /nfs/dbraw/zinc/08/46/01/1026084601.db2.gz MDSNOMYWDSMWCM-YWVIFJGQSA-N 1 3 324.390 3.754 20 0 DHADHO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(CSC(F)F)o2)CCN1C ZINC000093644781 1026121290 /nfs/dbraw/zinc/12/12/90/1026121290.db2.gz DQXISHOETYQQDI-NEPJUHHUSA-N 1 3 318.433 3.650 20 0 DHADHO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(CSC(F)F)o2)CCN1C ZINC000093644781 1026121298 /nfs/dbraw/zinc/12/12/98/1026121298.db2.gz DQXISHOETYQQDI-NEPJUHHUSA-N 1 3 318.433 3.650 20 0 DHADHO C[C@@H](Cc1ccc(O)cc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000513448359 1026511063 /nfs/dbraw/zinc/51/10/63/1026511063.db2.gz SCAMGHOMTQXUQZ-LPHOPBHVSA-N 1 3 316.489 3.710 20 0 DHADHO C[C@@H](Cc1ccc(O)cc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000513448359 1026511070 /nfs/dbraw/zinc/51/10/70/1026511070.db2.gz SCAMGHOMTQXUQZ-LPHOPBHVSA-N 1 3 316.489 3.710 20 0 DHADHO CN1CC[C@H]([NH2+]CCOc2cccc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000513667006 1026555104 /nfs/dbraw/zinc/55/51/04/1026555104.db2.gz PBOKMEKKEKJUKM-UFYCRDLUSA-N 1 3 324.468 3.681 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2csc3ccccc23)[C@@H]2CCC[C@H]21 ZINC000513664962 1026559299 /nfs/dbraw/zinc/55/92/99/1026559299.db2.gz AGVHDETYZHROJN-YESZJQIVSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@H+]1CC[C@H](NCc2csc3ccccc23)[C@@H]2CCC[C@H]21 ZINC000513664962 1026559301 /nfs/dbraw/zinc/55/93/01/1026559301.db2.gz AGVHDETYZHROJN-YESZJQIVSA-N 1 3 300.471 3.864 20 0 DHADHO C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330162 1026805465 /nfs/dbraw/zinc/80/54/65/1026805465.db2.gz PNJOPBFCKSOFHJ-YUELXQCFSA-N 1 3 310.844 3.862 20 0 DHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC000420326274 1026806703 /nfs/dbraw/zinc/80/67/03/1026806703.db2.gz XCBREOVPSHPQDZ-PZJWPPBQSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC000420326274 1026806709 /nfs/dbraw/zinc/80/67/09/1026806709.db2.gz XCBREOVPSHPQDZ-PZJWPPBQSA-N 1 3 324.468 3.883 20 0 DHADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000421822439 1027055851 /nfs/dbraw/zinc/05/58/51/1027055851.db2.gz XACISUISHGPREK-UHOFOFEASA-N 1 3 310.844 3.627 20 0 DHADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000421822439 1027055852 /nfs/dbraw/zinc/05/58/52/1027055852.db2.gz XACISUISHGPREK-UHOFOFEASA-N 1 3 310.844 3.627 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421823970 1027056192 /nfs/dbraw/zinc/05/61/92/1027056192.db2.gz GEZLQRBYQWIEKL-ZIAGYGMSSA-N 1 3 312.860 3.732 20 0 DHADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccncc1Cl ZINC000421822404 1027057266 /nfs/dbraw/zinc/05/72/66/1027057266.db2.gz WTYIUCQOJJNOHA-CABCVRRESA-N 1 3 309.885 3.898 20 0 DHADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccncc1Cl ZINC000421822404 1027057271 /nfs/dbraw/zinc/05/72/71/1027057271.db2.gz WTYIUCQOJJNOHA-CABCVRRESA-N 1 3 309.885 3.898 20 0 DHADHO C[N@H+](Cc1cc[nH]c1)C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000362386126 1027179185 /nfs/dbraw/zinc/17/91/85/1027179185.db2.gz NYJDKAZNURPOHS-YOFSQIOKSA-N 1 3 309.457 3.642 20 0 DHADHO C[N@@H+](Cc1cc[nH]c1)C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000362386126 1027179192 /nfs/dbraw/zinc/17/91/92/1027179192.db2.gz NYJDKAZNURPOHS-YOFSQIOKSA-N 1 3 309.457 3.642 20 0 DHADHO Cc1nc(C2CC[NH+](Cc3c(F)ccc(C)c3F)CC2)[nH]c1C ZINC000931747953 1027240327 /nfs/dbraw/zinc/24/03/27/1027240327.db2.gz DRVNLZVBPZYJNV-UHFFFAOYSA-N 1 3 319.399 3.993 20 0 DHADHO CC(C)[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000573077872 1027258741 /nfs/dbraw/zinc/25/87/41/1027258741.db2.gz SGSOSYBATKMGNU-WSTZPKSXSA-N 1 3 318.505 3.863 20 0 DHADHO Cc1[nH]c2ccc(CN[C@H](C)c3ccc(C[NH3+])nc3C)cc2c1C ZINC000422715884 1027302519 /nfs/dbraw/zinc/30/25/19/1027302519.db2.gz JPJPLNOITLOAQB-CQSZACIVSA-N 1 3 322.456 3.798 20 0 DHADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422742852 1027311839 /nfs/dbraw/zinc/31/18/39/1027311839.db2.gz QUXDUFSUQRSYSL-UWGQAIRJSA-N 1 3 321.468 3.556 20 0 DHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc2ccccc2n1 ZINC000422780073 1027316630 /nfs/dbraw/zinc/31/66/30/1027316630.db2.gz JSZFEYPSNMKKLU-QFBILLFUSA-N 1 3 311.473 3.678 20 0 DHADHO c1ccc2nc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000422777261 1027320190 /nfs/dbraw/zinc/32/01/90/1027320190.db2.gz FFSWUTQTVRYVEF-HMXCVIKNSA-N 1 3 323.484 3.678 20 0 DHADHO Cc1cc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)c(C)s1 ZINC000422808209 1027329120 /nfs/dbraw/zinc/32/91/20/1027329120.db2.gz NVHFTVPOFPMKMI-DGCLKSJQSA-N 1 3 303.475 3.939 20 0 DHADHO C[C@H](CC[NH2+][C@H]1CCC[C@@H]1CN)c1cccc(C(F)(F)F)c1 ZINC000422810829 1027329200 /nfs/dbraw/zinc/32/92/00/1027329200.db2.gz NYLBKXKGXLLWNA-XPKDYRNWSA-N 1 3 314.395 3.916 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)[NH2+][C@H]3CNCC[C@@H]3C)cc2)cs1 ZINC000422807753 1027332933 /nfs/dbraw/zinc/33/29/33/1027332933.db2.gz PJNRZISGMQVZEI-DCGLDWPTSA-N 1 3 315.486 3.767 20 0 DHADHO COc1ccc(-c2ccc(CN[C@@H](C)C[C@@H](C)[NH3+])s2)cc1 ZINC000422831192 1027335629 /nfs/dbraw/zinc/33/56/29/1027335629.db2.gz WLXOLESUVZSVJT-OLZOCXBDSA-N 1 3 304.459 3.639 20 0 DHADHO COc1ccccc1SC[C@@H](C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422943140 1027369385 /nfs/dbraw/zinc/36/93/85/1027369385.db2.gz KFDSVMQXAUDSBZ-ARFHVFGLSA-N 1 3 322.518 3.544 20 0 DHADHO COc1ccccc1SC[C@@H](C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422943143 1027370069 /nfs/dbraw/zinc/37/00/69/1027370069.db2.gz KFDSVMQXAUDSBZ-JYJNAYRXSA-N 1 3 322.518 3.544 20 0 DHADHO Cc1cc(C)c(CC[NH2+][C@H](C)c2ccc(CN)nc2C)c(C)c1 ZINC000422999060 1027385836 /nfs/dbraw/zinc/38/58/36/1027385836.db2.gz DPFCRKCASQSVBB-MRXNPFEDSA-N 1 3 311.473 3.667 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000423000453 1027387005 /nfs/dbraw/zinc/38/70/05/1027387005.db2.gz ZGQABPQXANXDKX-BTHPGYMESA-N 1 3 316.489 3.665 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423018242 1027389842 /nfs/dbraw/zinc/38/98/42/1027389842.db2.gz QMAVOIABMMFODS-YCRPNKLZSA-N 1 3 323.484 3.794 20 0 DHADHO COCCC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCCCC1 ZINC000423065244 1027402630 /nfs/dbraw/zinc/40/26/30/1027402630.db2.gz SYQMDCOMYQAWEX-ROUUACIJSA-N 1 3 302.462 3.708 20 0 DHADHO Cc1ccc2c(CCN[C@@H]3C[C@H]([NH3+])c4ccccc43)cn(C)c2c1 ZINC000423064241 1027404935 /nfs/dbraw/zinc/40/49/35/1027404935.db2.gz YOTOTVJUTAEXBO-VQTJNVASSA-N 1 3 319.452 3.764 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423050287 1027407822 /nfs/dbraw/zinc/40/78/22/1027407822.db2.gz YWBRCOFLYDSFJT-UHOSZYNNSA-N 1 3 302.437 3.869 20 0 DHADHO [NH3+][C@H]1CCCCC[C@H]1NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423099260 1027414251 /nfs/dbraw/zinc/41/42/51/1027414251.db2.gz LVAQDHAMANATJA-CXMPNGEBSA-N 1 3 310.844 3.975 20 0 DHADHO NC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423093737 1027415131 /nfs/dbraw/zinc/41/51/31/1027415131.db2.gz AFZMDSFYVWDMMF-JXFSHQFZSA-N 1 3 313.272 3.956 20 0 DHADHO CSc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423117953 1027417682 /nfs/dbraw/zinc/41/76/82/1027417682.db2.gz XXCZVQXNZKUGNG-GXTWGEPZSA-N 1 3 315.486 3.982 20 0 DHADHO Cc1cc2cc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423115789 1027417996 /nfs/dbraw/zinc/41/79/96/1027417996.db2.gz YSCAIEXTMBQHRR-MISYRCLQSA-N 1 3 311.473 3.877 20 0 DHADHO COc1ccc([C@H](Cc2ccccc2)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423126634 1027422235 /nfs/dbraw/zinc/42/22/35/1027422235.db2.gz SBFMFYDZNNZIBY-FTRWYGJKSA-N 1 3 312.457 3.694 20 0 DHADHO C[C@@H](NCC1(c2cccc(Cl)c2)CCCCC1)C1C[NH2+]C1 ZINC000423147007 1027429410 /nfs/dbraw/zinc/42/94/10/1027429410.db2.gz BQMWSNFUVRGBGG-CQSZACIVSA-N 1 3 306.881 3.739 20 0 DHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cc2ccccc2s1 ZINC000423136507 1027434693 /nfs/dbraw/zinc/43/46/93/1027434693.db2.gz PHCPQLCZHWRYMK-HNAYVOBHSA-N 1 3 324.493 3.992 20 0 DHADHO C[C@H]([NH3+])CCN[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423225398 1027465931 /nfs/dbraw/zinc/46/59/31/1027465931.db2.gz MPIGGTMJXQUCFS-FZMZJTMJSA-N 1 3 319.449 3.654 20 0 DHADHO C[C@@H]([NH2+][C@H](CN)C1CC1)c1cc2cc(Br)ccc2o1 ZINC000423273486 1027490046 /nfs/dbraw/zinc/49/00/46/1027490046.db2.gz JAMPFLIWDQREPJ-NOZJJQNGSA-N 1 3 323.234 3.583 20 0 DHADHO C[C@H](CCCc1cccnc1)[NH2+]CCNC1CCCCCC1 ZINC000423272363 1027490134 /nfs/dbraw/zinc/49/01/34/1027490134.db2.gz HXDZKHOETWAGCI-QGZVFWFLSA-N 1 3 303.494 3.695 20 0 DHADHO CC(C)[C@H](N)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423280060 1027491945 /nfs/dbraw/zinc/49/19/45/1027491945.db2.gz SSOSPEVNVQZZJE-CABCVRRESA-N 1 3 300.368 3.729 20 0 DHADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423313872 1027496647 /nfs/dbraw/zinc/49/66/47/1027496647.db2.gz GFVWJMDVXQEJKA-IFXJQAMLSA-N 1 3 310.441 3.750 20 0 DHADHO CC(C)[C@H]([NH2+]C[C@H](N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423314658 1027496865 /nfs/dbraw/zinc/49/68/65/1027496865.db2.gz HLYHROHTIHAIRV-GJZGRUSLSA-N 1 3 300.368 3.729 20 0 DHADHO NC1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CCC1 ZINC000423318298 1027499513 /nfs/dbraw/zinc/49/95/13/1027499513.db2.gz DNHLMWIEYDWMNJ-AWEZNQCLSA-N 1 3 313.470 3.659 20 0 DHADHO CC(C)C[C@H](Cc1ccc(Cl)cc1Cl)NCC1C[NH2+]C1 ZINC000423302451 1027503640 /nfs/dbraw/zinc/50/36/40/1027503640.db2.gz JNESKYRGFRUPIY-OAHLLOKOSA-N 1 3 315.288 3.760 20 0 DHADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(OCc2ccccc2)c1 ZINC000423332374 1027511269 /nfs/dbraw/zinc/51/12/69/1027511269.db2.gz VBROZJVRIIIZBS-MGPUTAFESA-N 1 3 310.441 3.654 20 0 DHADHO COc1ccc([C@H](C)NC[C@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC000423343683 1027518246 /nfs/dbraw/zinc/51/82/46/1027518246.db2.gz XBFIXJKNEQHLBR-MGPUTAFESA-N 1 3 312.457 3.889 20 0 DHADHO Cc1ccc2c(c1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CCCO2 ZINC000423375747 1027535575 /nfs/dbraw/zinc/53/55/75/1027535575.db2.gz IUYKMYQWTYQTFR-LJQANCHMSA-N 1 3 308.425 3.602 20 0 DHADHO C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000423403111 1027537288 /nfs/dbraw/zinc/53/72/88/1027537288.db2.gz YEMHKBMVXJAZKD-HLIPFELVSA-N 1 3 308.469 3.937 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423409715 1027541916 /nfs/dbraw/zinc/54/19/16/1027541916.db2.gz ZBAIEBHTCYALDY-JGGQBBKZSA-N 1 3 312.910 3.798 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423409715 1027541924 /nfs/dbraw/zinc/54/19/24/1027541924.db2.gz ZBAIEBHTCYALDY-JGGQBBKZSA-N 1 3 312.910 3.798 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423445769 1027543567 /nfs/dbraw/zinc/54/35/67/1027543567.db2.gz NIGFUAINUFSZFO-ZJNRKIDTSA-N 1 3 304.384 3.574 20 0 DHADHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423463939 1027555646 /nfs/dbraw/zinc/55/56/46/1027555646.db2.gz GBXZBNCVLLHRTP-MSJBJCGKSA-N 1 3 316.464 3.687 20 0 DHADHO COc1ccsc1[C@@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423506362 1027568192 /nfs/dbraw/zinc/56/81/92/1027568192.db2.gz ILPSRDYBGAZWIV-UKRRQHHQSA-N 1 3 304.459 3.888 20 0 DHADHO C[C@H](CCCC(F)(F)F)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423532797 1027576554 /nfs/dbraw/zinc/57/65/54/1027576554.db2.gz VVVCGLCMBPLDGE-WFWUXJIDSA-N 1 3 318.427 3.851 20 0 DHADHO Cc1cnccc1CNCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000296511520 1027657124 /nfs/dbraw/zinc/65/71/24/1027657124.db2.gz RMNZXRJORYEVQT-QGZVFWFLSA-N 1 3 323.484 3.912 20 0 DHADHO Cc1cnccc1CNCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000296511520 1027657129 /nfs/dbraw/zinc/65/71/29/1027657129.db2.gz RMNZXRJORYEVQT-QGZVFWFLSA-N 1 3 323.484 3.912 20 0 DHADHO C[NH+](C)Cc1ccc(CNCc2ccc(C(F)F)cc2)cc1 ZINC000527514558 1027739886 /nfs/dbraw/zinc/73/98/86/1027739886.db2.gz RGFXEKCCGWGWJT-UHFFFAOYSA-N 1 3 304.384 3.976 20 0 DHADHO CC1CCC(OC2CC[NH+](CC[C@@H]3CCCN3C)CC2)CC1 ZINC000364527122 1027831539 /nfs/dbraw/zinc/83/15/39/1027831539.db2.gz KDELXVFWYDCZIN-ADKAHSJRSA-N 1 3 308.510 3.530 20 0 DHADHO CC1CCC(OC2CC[NH+](CC[C@H]3CCCN3C)CC2)CC1 ZINC000364527123 1027832975 /nfs/dbraw/zinc/83/29/75/1027832975.db2.gz KDELXVFWYDCZIN-LXPRWKDFSA-N 1 3 308.510 3.530 20 0 DHADHO CC1(C)[C@@H]2C[C@@H](N3CCC([NH3+])(c4cccc(F)c4)CC3)C[C@@H]21 ZINC001170736870 1027973754 /nfs/dbraw/zinc/97/37/54/1027973754.db2.gz DNMLRWWNHKMUSE-OSYLJGHBSA-N 1 3 302.437 3.510 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](C[C@H]2CCC=CO2)CC1 ZINC000365797494 1028007640 /nfs/dbraw/zinc/00/76/40/1028007640.db2.gz SKMRVFVZAKJMMG-WOJBJXKFSA-N 1 3 314.473 3.666 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC000365797494 1028007660 /nfs/dbraw/zinc/00/76/60/1028007660.db2.gz SKMRVFVZAKJMMG-WOJBJXKFSA-N 1 3 314.473 3.666 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](C[C@H]2CCC=CO2)CC1 ZINC000365797493 1028008252 /nfs/dbraw/zinc/00/82/52/1028008252.db2.gz SKMRVFVZAKJMMG-VQTJNVASSA-N 1 3 314.473 3.666 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC000365797493 1028008271 /nfs/dbraw/zinc/00/82/71/1028008271.db2.gz SKMRVFVZAKJMMG-VQTJNVASSA-N 1 3 314.473 3.666 20 0 DHADHO C(C1CCCC1)N1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000367051413 1028126594 /nfs/dbraw/zinc/12/65/94/1028126594.db2.gz ZBZAARQMEJIPHX-LJQANCHMSA-N 1 3 320.521 3.580 20 0 DHADHO C(C1CCCC1)N1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000367051412 1028127329 /nfs/dbraw/zinc/12/73/29/1028127329.db2.gz ZBZAARQMEJIPHX-IBGZPJMESA-N 1 3 320.521 3.580 20 0 DHADHO C[N@@H+]1CCC[C@@]2(CCN(CCCOc3cccc(Cl)c3)C2)C1 ZINC000578635945 1028201338 /nfs/dbraw/zinc/20/13/38/1028201338.db2.gz WOXNJHWQZJFYIY-GOSISDBHSA-N 1 3 322.880 3.527 20 0 DHADHO C[N@H+]1CCC[C@@]2(CCN(CCCOc3cccc(Cl)c3)C2)C1 ZINC000578635945 1028201355 /nfs/dbraw/zinc/20/13/55/1028201355.db2.gz WOXNJHWQZJFYIY-GOSISDBHSA-N 1 3 322.880 3.527 20 0 DHADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(-c2cncnc2)cc1 ZINC000367655981 1028223004 /nfs/dbraw/zinc/22/30/04/1028223004.db2.gz FFFCPCTVSWJOTC-OXQOHEQNSA-N 1 3 324.472 3.669 20 0 DHADHO COc1ccc(-c2csc(CN[C@@H]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC000578882733 1028265049 /nfs/dbraw/zinc/26/50/49/1028265049.db2.gz PLUWXFURTXKPRW-JKSUJKDBSA-N 1 3 316.470 3.783 20 0 DHADHO C[NH+](C)[C@@H]1CCCN(CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000579096059 1028321333 /nfs/dbraw/zinc/32/13/33/1028321333.db2.gz OUWPPTNSQODSOY-LJQANCHMSA-N 1 3 302.506 3.943 20 0 DHADHO CN(C)[C@@H]1CCC[N@H+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000579096059 1028321349 /nfs/dbraw/zinc/32/13/49/1028321349.db2.gz OUWPPTNSQODSOY-LJQANCHMSA-N 1 3 302.506 3.943 20 0 DHADHO CN(C)[C@@H]1CCC[N@@H+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000579096059 1028321364 /nfs/dbraw/zinc/32/13/64/1028321364.db2.gz OUWPPTNSQODSOY-LJQANCHMSA-N 1 3 302.506 3.943 20 0 DHADHO C[C@@H](CC1CC1)[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000368401982 1028349289 /nfs/dbraw/zinc/34/92/89/1028349289.db2.gz IAHMJVKKOYXQAC-YJBOKZPZSA-N 1 3 314.473 3.753 20 0 DHADHO COc1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc2ccccc21 ZINC000449330944 1028542981 /nfs/dbraw/zinc/54/29/81/1028542981.db2.gz MSKMHJAEBDUGIG-ICSRJNTNSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc2ccccc21 ZINC000449330944 1028542985 /nfs/dbraw/zinc/54/29/85/1028542985.db2.gz MSKMHJAEBDUGIG-ICSRJNTNSA-N 1 3 324.468 3.765 20 0 DHADHO C[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@]1(C)CCCO1 ZINC000815570826 1028567017 /nfs/dbraw/zinc/56/70/17/1028567017.db2.gz NDDWPTBJQNHPSO-LPHOPBHVSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@]1(C)CCCO1 ZINC000815570826 1028567022 /nfs/dbraw/zinc/56/70/22/1028567022.db2.gz NDDWPTBJQNHPSO-LPHOPBHVSA-N 1 3 308.510 3.578 20 0 DHADHO CC[C@H](C)[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)OC ZINC000449402076 1028621018 /nfs/dbraw/zinc/62/10/18/1028621018.db2.gz JOPGKTVWJKATIP-JFRXWTBNSA-N 1 3 310.526 3.680 20 0 DHADHO Cc1cc(Cl)cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000565880748 1028647921 /nfs/dbraw/zinc/64/79/21/1028647921.db2.gz WOSSJRHVJLULAB-HOTGVXAUSA-N 1 3 324.896 3.627 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228852 1028690796 /nfs/dbraw/zinc/69/07/96/1028690796.db2.gz BJQHGJCAAQFVAM-KBXCAEBGSA-N 1 3 304.503 3.717 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228852 1028690800 /nfs/dbraw/zinc/69/08/00/1028690800.db2.gz BJQHGJCAAQFVAM-KBXCAEBGSA-N 1 3 304.503 3.717 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228852 1028690804 /nfs/dbraw/zinc/69/08/04/1028690804.db2.gz BJQHGJCAAQFVAM-KBXCAEBGSA-N 1 3 304.503 3.717 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228854 1028691940 /nfs/dbraw/zinc/69/19/40/1028691940.db2.gz BJQHGJCAAQFVAM-KDOFPFPSSA-N 1 3 304.503 3.717 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228854 1028691945 /nfs/dbraw/zinc/69/19/45/1028691945.db2.gz BJQHGJCAAQFVAM-KDOFPFPSSA-N 1 3 304.503 3.717 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228854 1028691949 /nfs/dbraw/zinc/69/19/49/1028691949.db2.gz BJQHGJCAAQFVAM-KDOFPFPSSA-N 1 3 304.503 3.717 20 0 DHADHO C[C@H](CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000566810520 1028786043 /nfs/dbraw/zinc/78/60/43/1028786043.db2.gz DQFVRTHCHICJDB-SNPRPXQTSA-N 1 3 300.368 3.610 20 0 DHADHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000566810520 1028786056 /nfs/dbraw/zinc/78/60/56/1028786056.db2.gz DQFVRTHCHICJDB-SNPRPXQTSA-N 1 3 300.368 3.610 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000566810522 1028788340 /nfs/dbraw/zinc/78/83/40/1028788340.db2.gz DQFVRTHCHICJDB-YUELXQCFSA-N 1 3 300.368 3.610 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000566810522 1028788351 /nfs/dbraw/zinc/78/83/51/1028788351.db2.gz DQFVRTHCHICJDB-YUELXQCFSA-N 1 3 300.368 3.610 20 0 DHADHO CN(Cc1ccccc1Cl)C1CCN(c2cc[nH+]cc2)CC1 ZINC000372369638 1028846467 /nfs/dbraw/zinc/84/64/67/1028846467.db2.gz NGPBYGCBLJRUJP-UHFFFAOYSA-N 1 3 315.848 3.836 20 0 DHADHO COCC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCC1 ZINC000449739665 1028960497 /nfs/dbraw/zinc/96/04/97/1028960497.db2.gz BRPJLWINJRBCQC-UHFFFAOYSA-N 1 3 308.510 3.580 20 0 DHADHO C[C@H](N[C@@H]1C[C@H]1c1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411520834 1029147036 /nfs/dbraw/zinc/14/70/36/1029147036.db2.gz XCNJWNTUMXHIJH-SOHDHNSJSA-N 1 3 316.464 3.924 20 0 DHADHO C[C@H](N[C@@H]1C[C@H]1c1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411520834 1029147046 /nfs/dbraw/zinc/14/70/46/1029147046.db2.gz XCNJWNTUMXHIJH-SOHDHNSJSA-N 1 3 316.464 3.924 20 0 DHADHO C[C@H]([NH2+][C@@H]1C[C@H]1c1cccc(F)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000411520834 1029147050 /nfs/dbraw/zinc/14/70/50/1029147050.db2.gz XCNJWNTUMXHIJH-SOHDHNSJSA-N 1 3 316.464 3.924 20 0 DHADHO Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@@H](N)c4ccccc43)C2)cc1 ZINC000817898112 1029270482 /nfs/dbraw/zinc/27/04/82/1029270482.db2.gz ZZBKHXKDHZPFQH-DQLDELGASA-N 1 3 321.468 3.698 20 0 DHADHO Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H](N)c4ccccc43)C2)cc1 ZINC000817898115 1029270551 /nfs/dbraw/zinc/27/05/51/1029270551.db2.gz ZZBKHXKDHZPFQH-ZLGUVYLKSA-N 1 3 321.468 3.698 20 0 DHADHO Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817949964 1029295213 /nfs/dbraw/zinc/29/52/13/1029295213.db2.gz VAABPGKWUHKCLS-ZDUSSCGKSA-N 1 3 317.502 3.927 20 0 DHADHO CC(C)(N)C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817960530 1029300079 /nfs/dbraw/zinc/30/00/79/1029300079.db2.gz MSFWMWUMYOWKBQ-ZDUSSCGKSA-N 1 3 300.418 3.706 20 0 DHADHO C[C@H](CSC(C)(C)C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000817983912 1029319130 /nfs/dbraw/zinc/31/91/30/1029319130.db2.gz LKBLYHBPVSVJQD-XKMJEZSVSA-N 1 3 310.551 3.650 20 0 DHADHO C[C@H](CSC(C)(C)C)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000817983912 1029319141 /nfs/dbraw/zinc/31/91/41/1029319141.db2.gz LKBLYHBPVSVJQD-XKMJEZSVSA-N 1 3 310.551 3.650 20 0 DHADHO Clc1cc2c(s1)CC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000570249735 1029339471 /nfs/dbraw/zinc/33/94/71/1029339471.db2.gz CWINMZLUASGRRQ-AWEZNQCLSA-N 1 3 310.894 3.853 20 0 DHADHO c1cc2ccc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2[nH]1 ZINC000529535139 1029366911 /nfs/dbraw/zinc/36/69/11/1029366911.db2.gz FGSVLNPTNUKWBP-XLIONFOSSA-N 1 3 309.457 3.617 20 0 DHADHO c1cc2ccc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2[nH]1 ZINC000529535139 1029366926 /nfs/dbraw/zinc/36/69/26/1029366926.db2.gz FGSVLNPTNUKWBP-XLIONFOSSA-N 1 3 309.457 3.617 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CC(F)(F)C1 ZINC000529542028 1029384262 /nfs/dbraw/zinc/38/42/62/1029384262.db2.gz NZMHHCSILYCWKL-MJBXVCDLSA-N 1 3 300.437 3.663 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)ccc1OC ZINC000818358655 1029386245 /nfs/dbraw/zinc/38/62/45/1029386245.db2.gz FGFNWXIRDUPUHW-VYCZESIESA-N 1 3 316.489 3.986 20 0 DHADHO CC1CC[NH+](CCCCN[C@H]2CCc3c2nccc3Cl)CC1 ZINC000924681031 1030158355 /nfs/dbraw/zinc/15/83/55/1030158355.db2.gz KNFOGVAFMDQABC-KRWDZBQOSA-N 1 3 321.896 3.824 20 0 DHADHO CC[NH+]1CCC(CN[C@@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924955987 1030233594 /nfs/dbraw/zinc/23/35/94/1030233594.db2.gz WFZISXDMCLEEMA-HNNXBMFYSA-N 1 3 313.445 3.724 20 0 DHADHO COc1cc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000925008057 1030247583 /nfs/dbraw/zinc/24/75/83/1030247583.db2.gz BCSHDWKTIGFADG-HOTGVXAUSA-N 1 3 312.457 3.841 20 0 DHADHO COc1cc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc2ccccc21 ZINC000925008057 1030247599 /nfs/dbraw/zinc/24/75/99/1030247599.db2.gz BCSHDWKTIGFADG-HOTGVXAUSA-N 1 3 312.457 3.841 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCCc3nccs3)CC2)C1 ZINC000358043905 1030298630 /nfs/dbraw/zinc/29/86/30/1030298630.db2.gz WZZGICRUGUCMRJ-WBVHZDCISA-N 1 3 321.534 3.708 20 0 DHADHO CC[C@H](C[C@@](C)(O)CC)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925209234 1030303815 /nfs/dbraw/zinc/30/38/15/1030303815.db2.gz WQSHUWAUAYTTQG-APWZRJJASA-N 1 3 310.526 3.703 20 0 DHADHO C[C@@H](NCCCC[NH+](C)C)c1csc(-c2ccccc2F)n1 ZINC000291059825 1030316403 /nfs/dbraw/zinc/31/64/03/1030316403.db2.gz ACMBEWSBMBJPHK-CYBMUJFWSA-N 1 3 321.465 3.942 20 0 DHADHO C[C@H](CC[NH2+]C1CCN(c2ccccc2)CC1)N1CCCCC1 ZINC000291075121 1030328502 /nfs/dbraw/zinc/32/85/02/1030328502.db2.gz FUHWLQLEQRQAAT-GOSISDBHSA-N 1 3 315.505 3.510 20 0 DHADHO C[C@@H](c1ccccn1)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000246165213 1030348216 /nfs/dbraw/zinc/34/82/16/1030348216.db2.gz JCPMWBQINUDCDP-PKOBYXMFSA-N 1 3 309.457 3.597 20 0 DHADHO C[C@@H](c1ccccn1)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000246165213 1030348238 /nfs/dbraw/zinc/34/82/38/1030348238.db2.gz JCPMWBQINUDCDP-PKOBYXMFSA-N 1 3 309.457 3.597 20 0 DHADHO C[C@H](NCc1ccccc1N(C)C)c1cccc(C[NH+](C)C)c1 ZINC000925441886 1030364450 /nfs/dbraw/zinc/36/44/50/1030364450.db2.gz DNEOEEUUYIOODH-INIZCTEOSA-N 1 3 311.473 3.665 20 0 DHADHO c1ccc2c(CC[NH2+][C@H]3CCNC[C@@H]3C3CCCC3)ccnc2c1 ZINC000925705092 1030458869 /nfs/dbraw/zinc/45/88/69/1030458869.db2.gz JJKCJCDYADNYFF-CTNGQTDRSA-N 1 3 323.484 3.535 20 0 DHADHO C[C@H]([NH3+])[C@@H](NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccccc1 ZINC000925733682 1030470203 /nfs/dbraw/zinc/47/02/03/1030470203.db2.gz LIJPSHHNVZLJNE-ARLBYUKCSA-N 1 3 312.379 3.809 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(Cl)c1 ZINC000925779166 1030491126 /nfs/dbraw/zinc/49/11/26/1030491126.db2.gz MDDFWPDSURTXPJ-GXTWGEPZSA-N 1 3 302.796 3.626 20 0 DHADHO CC(C)OCCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926153990 1030635753 /nfs/dbraw/zinc/63/57/53/1030635753.db2.gz FNOBBIBLUBUWDH-IHWFROFDSA-N 1 3 316.489 3.587 20 0 DHADHO CC(C)OCCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926153990 1030635760 /nfs/dbraw/zinc/63/57/60/1030635760.db2.gz FNOBBIBLUBUWDH-IHWFROFDSA-N 1 3 316.489 3.587 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)s2)C1 ZINC000249686200 1030802424 /nfs/dbraw/zinc/80/24/24/1030802424.db2.gz OPOQNXREAJIKJO-GHMZBOCLSA-N 1 3 317.296 3.503 20 0 DHADHO Cc1cccc([C@@H](NCCCC[N@@H+](C)C2CC2)c2ccccn2)c1 ZINC000926557741 1030798431 /nfs/dbraw/zinc/79/84/31/1030798431.db2.gz DQVXBNKVVZLURG-OAQYLSRUSA-N 1 3 323.484 3.943 20 0 DHADHO Cc1cccc([C@@H](NCCCC[N@H+](C)C2CC2)c2ccccn2)c1 ZINC000926557741 1030798444 /nfs/dbraw/zinc/79/84/44/1030798444.db2.gz DQVXBNKVVZLURG-OAQYLSRUSA-N 1 3 323.484 3.943 20 0 DHADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926573578 1030805506 /nfs/dbraw/zinc/80/55/06/1030805506.db2.gz NTUNMFKHUSUWMO-HZPDHXFCSA-N 1 3 313.445 3.724 20 0 DHADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926573578 1030805523 /nfs/dbraw/zinc/80/55/23/1030805523.db2.gz NTUNMFKHUSUWMO-HZPDHXFCSA-N 1 3 313.445 3.724 20 0 DHADHO CC[N@H+](CCCNC1CC2(C1)CO[C@@H](C)C2)C1CCCCC1 ZINC000926646759 1030836561 /nfs/dbraw/zinc/83/65/61/1030836561.db2.gz ARTICWLBLDSRRM-MUYFXNHWSA-N 1 3 308.510 3.578 20 0 DHADHO CC[N@@H+](CCCNC1CC2(C1)CO[C@@H](C)C2)C1CCCCC1 ZINC000926646759 1030836574 /nfs/dbraw/zinc/83/65/74/1030836574.db2.gz ARTICWLBLDSRRM-MUYFXNHWSA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)(C)[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000926694991 1030866546 /nfs/dbraw/zinc/86/65/46/1030866546.db2.gz XJVXOQGNJIKCKW-IBGZPJMESA-N 1 3 315.505 3.708 20 0 DHADHO CC(C)CCN1CCC([NH2+]CC2([C@H]3CCCCO3)CCC2)CC1 ZINC000926788980 1030928167 /nfs/dbraw/zinc/92/81/67/1030928167.db2.gz DLAMCAXUJBTQJK-LJQANCHMSA-N 1 3 322.537 3.826 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171110260 1030990105 /nfs/dbraw/zinc/99/01/05/1030990105.db2.gz MGBNRLRZRQISSI-RCCFBDPRSA-N 1 3 306.881 3.660 20 0 DHADHO CCc1nc2c(s1)[C@H]([NH2+]CCCN1CCC(C)CC1)CCC2 ZINC000359642453 1031076335 /nfs/dbraw/zinc/07/63/35/1031076335.db2.gz ZTZPPCMBELNYAB-OAHLLOKOSA-N 1 3 321.534 3.795 20 0 DHADHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([O-])c1F ZINC000872021902 1031405501 /nfs/dbraw/zinc/40/55/01/1031405501.db2.gz FVQZOSIRMUAFKG-CABCVRRESA-N 1 3 308.441 3.694 20 0 DHADHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc([O-])c1F ZINC000872021902 1031405508 /nfs/dbraw/zinc/40/55/08/1031405508.db2.gz FVQZOSIRMUAFKG-CABCVRRESA-N 1 3 308.441 3.694 20 0 DHADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CCO1 ZINC000872027647 1031412356 /nfs/dbraw/zinc/41/23/56/1031412356.db2.gz FRWBHFAWFJPDES-RBUKOAKNSA-N 1 3 322.537 3.824 20 0 DHADHO CC[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000872027078 1031412929 /nfs/dbraw/zinc/41/29/29/1031412929.db2.gz BUBMVQRNUCJPJE-ICSRJNTNSA-N 1 3 322.537 3.826 20 0 DHADHO C(C1CCCC1)N1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000872030024 1031414529 /nfs/dbraw/zinc/41/45/29/1031414529.db2.gz XTRTVKDGYIXMOG-LJQANCHMSA-N 1 3 320.521 3.722 20 0 DHADHO Fc1ccc(-c2ccc(CN[C@@H]3CCC[NH2+]CC3)s2)cc1 ZINC000666855187 1031420714 /nfs/dbraw/zinc/42/07/14/1031420714.db2.gz CSXZACBBZSNNIH-OAHLLOKOSA-N 1 3 304.434 3.786 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000872059474 1031451628 /nfs/dbraw/zinc/45/16/28/1031451628.db2.gz FRKCRSIKMDWRQL-FAJBIJEISA-N 1 3 322.537 3.823 20 0 DHADHO C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000872059325 1031452472 /nfs/dbraw/zinc/45/24/72/1031452472.db2.gz DPZBYPRXNIKMTC-KSZLIROESA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000536876203 1031462176 /nfs/dbraw/zinc/46/21/76/1031462176.db2.gz LLRMXPREFYVNLT-LAUBAEHRSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000536876203 1031462185 /nfs/dbraw/zinc/46/21/85/1031462185.db2.gz LLRMXPREFYVNLT-LAUBAEHRSA-N 1 3 324.468 3.695 20 0 DHADHO CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000872087901 1031483810 /nfs/dbraw/zinc/48/38/10/1031483810.db2.gz MDYKKMVMSLDMDN-HUUCEWRRSA-N 1 3 306.416 3.819 20 0 DHADHO CC(C)Oc1cccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)c1 ZINC000537024610 1031489525 /nfs/dbraw/zinc/48/95/25/1031489525.db2.gz RJQXZSWCKNADNM-FUHWJXTLSA-N 1 3 304.478 3.999 20 0 DHADHO CC1(C)C[C@@]1(NCc1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000873212064 1031760806 /nfs/dbraw/zinc/76/08/06/1031760806.db2.gz GJQWDOUQMKDZOF-LJQANCHMSA-N 1 3 312.482 3.809 20 0 DHADHO C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208229 1031760941 /nfs/dbraw/zinc/76/09/41/1031760941.db2.gz FLILBNODFQUZQD-PWSUYJOCSA-N 1 3 318.408 3.557 20 0 DHADHO c1c(CN[C@H]2CCSc3ccccc32)sc2c1C[NH2+]CC2 ZINC000873211412 1031762115 /nfs/dbraw/zinc/76/21/15/1031762115.db2.gz NFKMBRAMGQAZJG-HNNXBMFYSA-N 1 3 316.495 3.721 20 0 DHADHO N[C@H](CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000873234521 1031766623 /nfs/dbraw/zinc/76/66/23/1031766623.db2.gz FWAAAJJRSQBZKN-ARFHVFGLSA-N 1 3 314.395 3.657 20 0 DHADHO CC(C)n1nccc1CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232184 1031768346 /nfs/dbraw/zinc/76/83/46/1031768346.db2.gz MPXWKWHXLQUYOV-APWZRJJASA-N 1 3 318.509 3.584 20 0 DHADHO Cc1ncccc1CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000898255491 1032004088 /nfs/dbraw/zinc/00/40/88/1032004088.db2.gz KEEGNFPFBDRFDR-OXJNMPFZSA-N 1 3 315.505 3.565 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000044534153 1032054639 /nfs/dbraw/zinc/05/46/39/1032054639.db2.gz WZYACFWESYKGQN-STQMWFEESA-N 1 3 300.368 3.698 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000044534153 1032054642 /nfs/dbraw/zinc/05/46/42/1032054642.db2.gz WZYACFWESYKGQN-STQMWFEESA-N 1 3 300.368 3.698 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000151124424 1033417212 /nfs/dbraw/zinc/41/72/12/1033417212.db2.gz SYNNKRAFSVSWOA-IXDOHACOSA-N 1 3 304.478 3.509 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000151124486 1033417699 /nfs/dbraw/zinc/41/76/99/1033417699.db2.gz SYNNKRAFSVSWOA-IKGGRYGDSA-N 1 3 304.478 3.509 20 0 DHADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001172852939 1033421133 /nfs/dbraw/zinc/42/11/33/1033421133.db2.gz WHLMHCLKLGRYEX-MGPQQGTHSA-N 1 3 312.860 3.873 20 0 DHADHO CN1C(C)(C)CC([NH2+]C2CCC3(CCOCC3)CC2)CC1(C)C ZINC001173042547 1033508125 /nfs/dbraw/zinc/50/81/25/1033508125.db2.gz VGCPVRMSBXCVNN-UHFFFAOYSA-N 1 3 322.537 3.967 20 0 DHADHO CC[NH+](CC)C1CCC(N2CCC[C@H]2c2cc(C)on2)CC1 ZINC001173108075 1033545154 /nfs/dbraw/zinc/54/51/54/1033545154.db2.gz DDXXSDSSRVODEB-HTWSVDAQSA-N 1 3 305.466 3.773 20 0 DHADHO CCCC[NH+](CCCC)CCCN[C@@H]1CCc2ncsc2C1 ZINC001173127076 1033559525 /nfs/dbraw/zinc/55/95/25/1033559525.db2.gz UMBXFJKULHGLGY-MRXNPFEDSA-N 1 3 323.550 3.882 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000153514832 1033582891 /nfs/dbraw/zinc/58/28/91/1033582891.db2.gz ZLRCXPKTCPDPAQ-VQIMIIECSA-N 1 3 316.489 3.634 20 0 DHADHO CCSC[C@@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001173312854 1033666194 /nfs/dbraw/zinc/66/61/94/1033666194.db2.gz WTMBAHYVOYLEFQ-QGZVFWFLSA-N 1 3 318.530 3.726 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)[C@H]1CCCN(C2CCC2)C1 ZINC000878411376 1033694777 /nfs/dbraw/zinc/69/47/77/1033694777.db2.gz IPVSSHGZDDXBPZ-XYJFISCASA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](NC[C@H]1CCCC(C)(C)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411376 1033694785 /nfs/dbraw/zinc/69/47/85/1033694785.db2.gz IPVSSHGZDDXBPZ-XYJFISCASA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](NC[C@H]1CCCC(C)(C)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411376 1033694789 /nfs/dbraw/zinc/69/47/89/1033694789.db2.gz IPVSSHGZDDXBPZ-XYJFISCASA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(F)ccc1F ZINC000479362351 1033735645 /nfs/dbraw/zinc/73/56/45/1033735645.db2.gz OTMSGLLSTKHDQZ-ACJLOTCBSA-N 1 3 308.416 3.736 20 0 DHADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](C)CN ZINC001173553579 1033770197 /nfs/dbraw/zinc/77/01/97/1033770197.db2.gz ZVGZILRUQQLIFJ-NWDGAFQWSA-N 1 3 303.277 3.841 20 0 DHADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H](C)CN ZINC001173553579 1033770208 /nfs/dbraw/zinc/77/02/08/1033770208.db2.gz ZVGZILRUQQLIFJ-NWDGAFQWSA-N 1 3 303.277 3.841 20 0 DHADHO CCCCO[C@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000479518783 1033797377 /nfs/dbraw/zinc/79/73/77/1033797377.db2.gz SFOYXHXSZJDWMK-HIEASXQVSA-N 1 3 308.510 3.577 20 0 DHADHO N[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3ccccc3)c2)CC[C@@H]1F ZINC001206211936 1033845903 /nfs/dbraw/zinc/84/59/03/1033845903.db2.gz PZVOVURHDWDTFH-RBUKOAKNSA-N 1 3 316.395 3.754 20 0 DHADHO N[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)CC[C@@H]1F ZINC001206211936 1033845917 /nfs/dbraw/zinc/84/59/17/1033845917.db2.gz PZVOVURHDWDTFH-RBUKOAKNSA-N 1 3 316.395 3.754 20 0 DHADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccncc1 ZINC000173839447 1033886074 /nfs/dbraw/zinc/88/60/74/1033886074.db2.gz VARVSIRFWIPIPJ-KRWDZBQOSA-N 1 3 309.457 3.918 20 0 DHADHO CC(C)Oc1ccccc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001137139809 1033892898 /nfs/dbraw/zinc/89/28/98/1033892898.db2.gz WJBSZDBNPMOLBZ-UHFFFAOYSA-N 1 3 316.489 3.782 20 0 DHADHO C[C@H](NCc1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178023687 1034201122 /nfs/dbraw/zinc/20/11/22/1034201122.db2.gz QMXGYLWHRYYEJQ-AWEZNQCLSA-N 1 3 304.459 3.539 20 0 DHADHO Fc1cccc(CC2(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000480753196 1034431240 /nfs/dbraw/zinc/43/12/40/1034431240.db2.gz ATWDTINXWLAGLJ-QZTJIDSGSA-N 1 3 302.437 3.507 20 0 DHADHO Fc1cccc(CC2(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000480753196 1034431246 /nfs/dbraw/zinc/43/12/46/1034431246.db2.gz ATWDTINXWLAGLJ-QZTJIDSGSA-N 1 3 302.437 3.507 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2)C1 ZINC000481346643 1034772926 /nfs/dbraw/zinc/77/29/26/1034772926.db2.gz ZRNLUTNFICTNKH-VXGBXAGGSA-N 1 3 301.261 3.986 20 0 DHADHO C[NH+](C)Cc1cccc(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175505336 1035013378 /nfs/dbraw/zinc/01/33/78/1035013378.db2.gz LHJOHYDMWAICOR-UHFFFAOYSA-N 1 3 321.468 3.950 20 0 DHADHO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H](C)CCN(C)C)c1 ZINC000481963494 1035042013 /nfs/dbraw/zinc/04/20/13/1035042013.db2.gz RAQMBSXHJYPIJR-OLZOCXBDSA-N 1 3 300.393 3.587 20 0 DHADHO CC(C)Cc1ccc(CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC001175769501 1035114622 /nfs/dbraw/zinc/11/46/22/1035114622.db2.gz RWHMYUHOWCJLFZ-SFHVURJKSA-N 1 3 323.484 3.991 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000668159538 1035199328 /nfs/dbraw/zinc/19/93/28/1035199328.db2.gz ZFIWETAORRWYFU-FUHWJXTLSA-N 1 3 308.897 3.981 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c(F)c1 ZINC000483175973 1035235692 /nfs/dbraw/zinc/23/56/92/1035235692.db2.gz JBRXQBMFSVTZKH-GUYCJALGSA-N 1 3 310.457 3.851 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CCc3ccc4ccccc4c3)CC[C@H]21 ZINC000483504868 1035274473 /nfs/dbraw/zinc/27/44/73/1035274473.db2.gz LZZRMPHWPJAAIU-LEWJYISDSA-N 1 3 308.469 3.798 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CCc3ccc4ccccc4c3)CC[C@H]21 ZINC000483504868 1035274475 /nfs/dbraw/zinc/27/44/75/1035274475.db2.gz LZZRMPHWPJAAIU-LEWJYISDSA-N 1 3 308.469 3.798 20 0 DHADHO COC[C@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000484142313 1035320367 /nfs/dbraw/zinc/32/03/67/1035320367.db2.gz ZJURRJMOEQQARS-LPHOPBHVSA-N 1 3 316.489 3.665 20 0 DHADHO COC[C@@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000484142315 1035320832 /nfs/dbraw/zinc/32/08/32/1035320832.db2.gz ZJURRJMOEQQARS-QFBILLFUSA-N 1 3 316.489 3.665 20 0 DHADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1cccs1 ZINC001177981827 1035405350 /nfs/dbraw/zinc/40/53/50/1035405350.db2.gz SATQOAKFCFXZSJ-HOTGVXAUSA-N 1 3 314.498 3.994 20 0 DHADHO COc1ccccc1[C@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904384314 1035409711 /nfs/dbraw/zinc/40/97/11/1035409711.db2.gz INWGHZWNHUPVHJ-FXAWDEMLSA-N 1 3 316.489 3.654 20 0 DHADHO Cc1cccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000904477019 1035418260 /nfs/dbraw/zinc/41/82/60/1035418260.db2.gz WJZXUYCZDONUKN-PZJWPPBQSA-N 1 3 322.452 3.649 20 0 DHADHO Cc1cccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000904477018 1035418687 /nfs/dbraw/zinc/41/86/87/1035418687.db2.gz WJZXUYCZDONUKN-FPOVZHCZSA-N 1 3 322.452 3.649 20 0 DHADHO C[C@@]1(C[NH3+])CCCN(Cc2cc3sccc3nc2Cl)CC1 ZINC001206325755 1035422567 /nfs/dbraw/zinc/42/25/67/1035422567.db2.gz IZBOMONMDUAXQV-MRXNPFEDSA-N 1 3 323.893 3.901 20 0 DHADHO CC(C)Oc1cccc(C[NH2+]CC2(CN(C)C)CCCC2)c1 ZINC001178449887 1035427138 /nfs/dbraw/zinc/42/71/38/1035427138.db2.gz YTVXIRBJXOGHOU-UHFFFAOYSA-N 1 3 304.478 3.685 20 0 DHADHO CCCOc1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c(C)c1 ZINC001204249060 1035484091 /nfs/dbraw/zinc/48/40/91/1035484091.db2.gz LQKWYQIIPAANBI-XLIONFOSSA-N 1 3 318.505 3.946 20 0 DHADHO CCCOc1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c(C)c1 ZINC001204249060 1035484095 /nfs/dbraw/zinc/48/40/95/1035484095.db2.gz LQKWYQIIPAANBI-XLIONFOSSA-N 1 3 318.505 3.946 20 0 DHADHO C[C@@H]1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205617745 1035534911 /nfs/dbraw/zinc/53/49/11/1035534911.db2.gz NBBDUCRTCUYHBH-YPMHNXCESA-N 1 3 318.358 3.651 20 0 DHADHO CCN(CC)CC(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C ZINC001180391172 1035661469 /nfs/dbraw/zinc/66/14/69/1035661469.db2.gz LCIOKRKWKRKALB-UHFFFAOYSA-N 1 3 316.470 3.913 20 0 DHADHO C[C@@H]1CCN(Cc2csc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205637852 1035675620 /nfs/dbraw/zinc/67/56/20/1035675620.db2.gz JLPAKPHSALYNEA-ZYHUDNBSSA-N 1 3 306.397 3.574 20 0 DHADHO C[C@H](CC[NH2+]C1CC(C)(c2ccccc2)C1)N1CCCCC1 ZINC001180812429 1035768599 /nfs/dbraw/zinc/76/85/99/1035768599.db2.gz ZJHABBSRBVMLMZ-QHGAOEGBSA-N 1 3 300.490 3.961 20 0 DHADHO c1cc(-c2cnc([C@H]3CCCN3)nc2)ccc1C[NH+]1CCCCC1 ZINC000906154042 1035778989 /nfs/dbraw/zinc/77/89/89/1035778989.db2.gz ZVMOQDNGQSBHON-LJQANCHMSA-N 1 3 322.456 3.554 20 0 DHADHO C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2cnc([C@H]3CCCN3)nc2)c1 ZINC000906157626 1035780722 /nfs/dbraw/zinc/78/07/22/1035780722.db2.gz FYQMGNRAXIEKNN-DNVCBOLYSA-N 1 3 322.456 3.552 20 0 DHADHO C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cnc([C@H]3CCCN3)nc2)c1 ZINC000906157626 1035780735 /nfs/dbraw/zinc/78/07/35/1035780735.db2.gz FYQMGNRAXIEKNN-DNVCBOLYSA-N 1 3 322.456 3.552 20 0 DHADHO C[C@H](CCOCc1ccccc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC001181427272 1035907863 /nfs/dbraw/zinc/90/78/63/1035907863.db2.gz LLLZCKUSBOZOQZ-GOSISDBHSA-N 1 3 318.505 3.693 20 0 DHADHO CCC(CC)N1CCC([NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC001168468992 1035941629 /nfs/dbraw/zinc/94/16/29/1035941629.db2.gz QSDLAWBIRMFXMP-OAHLLOKOSA-N 1 3 306.469 3.999 20 0 DHADHO CCC(CC)[NH+]1CCC(N[C@H](C)Cc2cccc(F)c2)CC1 ZINC001168468992 1035941643 /nfs/dbraw/zinc/94/16/43/1035941643.db2.gz QSDLAWBIRMFXMP-OAHLLOKOSA-N 1 3 306.469 3.999 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc2ncsc2c1 ZINC000485814033 1035980520 /nfs/dbraw/zinc/98/05/20/1035980520.db2.gz PHTZPVIHWJDUGZ-DZGCQCFKSA-N 1 3 303.475 3.821 20 0 DHADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000540172269 1035994590 /nfs/dbraw/zinc/99/45/90/1035994590.db2.gz XPQUFGLSJMXIJM-CEXWTWQISA-N 1 3 318.505 3.843 20 0 DHADHO CCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1F ZINC000494961312 1036146200 /nfs/dbraw/zinc/14/62/00/1036146200.db2.gz UKFIPZKEMVSSFM-GDBMZVCRSA-N 1 3 308.441 3.529 20 0 DHADHO CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1F ZINC000494961312 1036146206 /nfs/dbraw/zinc/14/62/06/1036146206.db2.gz UKFIPZKEMVSSFM-GDBMZVCRSA-N 1 3 308.441 3.529 20 0 DHADHO COC1CCC(CC[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000541741724 1036416193 /nfs/dbraw/zinc/41/61/93/1036416193.db2.gz SLDBBSUANCNNRQ-UHFFFAOYSA-N 1 3 308.510 3.578 20 0 DHADHO C[NH+](C)Cc1cccc(CNCc2ccc(F)c(Cl)c2)c1 ZINC000159799043 1036458356 /nfs/dbraw/zinc/45/83/56/1036458356.db2.gz NIUSVWPKYZWGTK-UHFFFAOYSA-N 1 3 306.812 3.831 20 0 DHADHO Cc1ccc(CC[NH2+]C2CCN(CCC(C)C)CC2)cc1C ZINC001182816339 1036464113 /nfs/dbraw/zinc/46/41/13/1036464113.db2.gz JVAVDNWOASKDFO-UHFFFAOYSA-N 1 3 302.506 3.946 20 0 DHADHO C[C@H]1C[C@H](C[NH2+]C2CCC(C)(N3CCOCC3)CC2)C[C@@H](C)C1 ZINC001182817154 1036464301 /nfs/dbraw/zinc/46/43/01/1036464301.db2.gz RERWLTDTBTZOKB-KMDXPDORSA-N 1 3 322.537 3.682 20 0 DHADHO CCCC[N@H+](C[C@@H]1CCCC[C@@H]1O)C1CC(C)(C)NC(C)(C)C1 ZINC001196546502 1036565548 /nfs/dbraw/zinc/56/55/48/1036565548.db2.gz ZOOCMQBDSRJNBL-WMZOPIPTSA-N 1 3 324.553 3.949 20 0 DHADHO CCCC[N@@H+](C[C@@H]1CCCC[C@@H]1O)C1CC(C)(C)NC(C)(C)C1 ZINC001196546502 1036565564 /nfs/dbraw/zinc/56/55/64/1036565564.db2.gz ZOOCMQBDSRJNBL-WMZOPIPTSA-N 1 3 324.553 3.949 20 0 DHADHO Clc1ccc(SCC[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000160051067 1036601035 /nfs/dbraw/zinc/60/10/35/1036601035.db2.gz VEIMUBZXRDDLKZ-UHFFFAOYSA-N 1 3 324.921 3.896 20 0 DHADHO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2F)s1)CN(C)C ZINC000491549039 1036601770 /nfs/dbraw/zinc/60/17/70/1036601770.db2.gz UOQYNUDOANMUEP-CYBMUJFWSA-N 1 3 306.450 3.842 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@H]1CC1(C)C ZINC000487273879 1036630462 /nfs/dbraw/zinc/63/04/62/1036630462.db2.gz NTKKRMSGQUIRLN-QXAKKESOSA-N 1 3 300.490 3.575 20 0 DHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC/C=C/c2ccncc2)CC1 ZINC000487281671 1036637830 /nfs/dbraw/zinc/63/78/30/1036637830.db2.gz YRNWSIURVWGHIQ-DUMMIQTOSA-N 1 3 321.468 3.910 20 0 DHADHO Cc1cccc(C[NH+]2CCC(N3CCC(F)CC3)CC2)c1C ZINC001205089421 1036988250 /nfs/dbraw/zinc/98/82/50/1036988250.db2.gz PCGZYVKYSGCYBW-UHFFFAOYSA-N 1 3 304.453 3.702 20 0 DHADHO CC(C)[C@@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000488446240 1037029209 /nfs/dbraw/zinc/02/92/09/1037029209.db2.gz JXHSTUCKGJBLAE-AEFFLSMTSA-N 1 3 310.551 3.903 20 0 DHADHO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CS1 ZINC000488446240 1037029178 /nfs/dbraw/zinc/02/91/78/1037029178.db2.gz JXHSTUCKGJBLAE-AEFFLSMTSA-N 1 3 310.551 3.903 20 0 DHADHO Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000309786045 1037180300 /nfs/dbraw/zinc/18/03/00/1037180300.db2.gz MXFVISSASPJUEK-RXVVDRJESA-N 1 3 308.469 3.995 20 0 DHADHO Cc1cccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309786045 1037180311 /nfs/dbraw/zinc/18/03/11/1037180311.db2.gz MXFVISSASPJUEK-RXVVDRJESA-N 1 3 308.469 3.995 20 0 DHADHO Cc1cccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309786045 1037180321 /nfs/dbraw/zinc/18/03/21/1037180321.db2.gz MXFVISSASPJUEK-RXVVDRJESA-N 1 3 308.469 3.995 20 0 DHADHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@H]3CCCSC3)C2)cc1 ZINC000309949319 1037194682 /nfs/dbraw/zinc/19/46/82/1037194682.db2.gz FIAPBCZYMWFPDJ-OALUTQOASA-N 1 3 318.530 3.774 20 0 DHADHO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000310003470 1037202044 /nfs/dbraw/zinc/20/20/44/1037202044.db2.gz GINOZPZHPFTDHN-QRQLOZEOSA-N 1 3 318.530 3.630 20 0 DHADHO FC(F)Sc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC001199197049 1037213754 /nfs/dbraw/zinc/21/37/54/1037213754.db2.gz FAPAEYLTZYXVQA-CYBMUJFWSA-N 1 3 312.429 3.575 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCCc2ccccc2C1)CN1CCCCC1 ZINC001199580946 1037284061 /nfs/dbraw/zinc/28/40/61/1037284061.db2.gz DNEYNKAPCZAXDF-XLIONFOSSA-N 1 3 300.490 3.646 20 0 DHADHO C[C@@H](C[NH2+][C@H]1CCCc2ccccc2C1)CN1CCCCC1 ZINC001199580945 1037284871 /nfs/dbraw/zinc/28/48/71/1037284871.db2.gz DNEYNKAPCZAXDF-PXNSSMCTSA-N 1 3 300.490 3.646 20 0 DHADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000493945417 1037603483 /nfs/dbraw/zinc/60/34/83/1037603483.db2.gz QYLABNCHMNPCMG-LMMKCTJWSA-N 1 3 304.478 3.617 20 0 DHADHO C[C@@H](C[NH2+]C1CC(c2ccccc2Cl)C1)CN1CCCC1 ZINC000062078440 1037846708 /nfs/dbraw/zinc/84/67/08/1037846708.db2.gz RVUNMGQMELDWNN-FHERZECASA-N 1 3 306.881 3.908 20 0 DHADHO CCN(Cc1ccccc1)C1CC[NH+](CCCSC)CC1 ZINC001201689852 1037862558 /nfs/dbraw/zinc/86/25/58/1037862558.db2.gz JMBMTGIUYUWLFK-UHFFFAOYSA-N 1 3 306.519 3.726 20 0 DHADHO CCCCCCN1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001201757369 1037880674 /nfs/dbraw/zinc/88/06/74/1037880674.db2.gz WIUKEPKAHSSRQF-UHFFFAOYSA-N 1 3 311.558 3.696 20 0 DHADHO CCC[NH+]1CCC(N[C@@H](C)CSc2ccc(C)cc2)CC1 ZINC000186470906 1037908327 /nfs/dbraw/zinc/90/83/27/1037908327.db2.gz CWXSTMXEQAHVTG-INIZCTEOSA-N 1 3 306.519 3.940 20 0 DHADHO CC[NH+]1CCC(CNCc2ccc(CSC(F)F)o2)CC1 ZINC000044517764 1037935733 /nfs/dbraw/zinc/93/57/33/1037935733.db2.gz DLJAGBRCPIUNTO-UHFFFAOYSA-N 1 3 318.433 3.557 20 0 DHADHO CSCc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000586795529 1037977963 /nfs/dbraw/zinc/97/79/63/1037977963.db2.gz PWEQUNBIMITMJC-UHFFFAOYSA-N 1 3 304.503 3.514 20 0 DHADHO COc1ccc(-c2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)s2)cc1 ZINC000571226406 1038115184 /nfs/dbraw/zinc/11/51/84/1038115184.db2.gz OOEVMKHGYYXNIF-LSDHHAIUSA-N 1 3 316.470 3.783 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)ccc1OC ZINC000775381102 1038308603 /nfs/dbraw/zinc/30/86/03/1038308603.db2.gz ATYRKAHTEUURPK-HLLBOEOZSA-N 1 3 304.478 3.844 20 0 DHADHO CCCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000572888866 1038510719 /nfs/dbraw/zinc/51/07/19/1038510719.db2.gz NDQOPENCSGRGIU-VQIMIIECSA-N 1 3 304.478 3.638 20 0 DHADHO CCCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000572888866 1038510729 /nfs/dbraw/zinc/51/07/29/1038510729.db2.gz NDQOPENCSGRGIU-VQIMIIECSA-N 1 3 304.478 3.638 20 0 DHADHO C[C@@H]1CCN(Cc2c(F)cccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205603021 1038675653 /nfs/dbraw/zinc/67/56/53/1038675653.db2.gz MUDASNYMBGTBRO-VXGBXAGGSA-N 1 3 318.358 3.651 20 0 DHADHO C[C@H]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205604009 1038684194 /nfs/dbraw/zinc/68/41/94/1038684194.db2.gz UDOUZTQHVCPAEO-AAEUAGOBSA-N 1 3 318.358 3.651 20 0 DHADHO C[C@H](CNc1ccnc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000599457286 1039161089 /nfs/dbraw/zinc/16/10/89/1039161089.db2.gz OALGUWTZXUIUIM-CQSZACIVSA-N 1 3 323.465 3.577 20 0 DHADHO C[C@H](CNc1ccnc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000599457286 1039161093 /nfs/dbraw/zinc/16/10/93/1039161093.db2.gz OALGUWTZXUIUIM-CQSZACIVSA-N 1 3 323.465 3.577 20 0 DHADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cccc(F)c1 ZINC000092856900 185346914 /nfs/dbraw/zinc/34/69/14/185346914.db2.gz MJECDMYSOVTZMY-OAHLLOKOSA-N 1 3 313.420 3.788 20 0 DHADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc2c(c1)COC2 ZINC000273310460 130104868 /nfs/dbraw/zinc/10/48/68/130104868.db2.gz WMFDNFXRNOIFLQ-JKSUJKDBSA-N 1 3 302.462 3.632 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000281017136 130832339 /nfs/dbraw/zinc/83/23/39/130832339.db2.gz ZBLYHOXLSAHJJH-GOSISDBHSA-N 1 3 301.478 3.775 20 0 DHADHO Cc1cc([C@H](C)NC2CC[NH+](C)CC2)sc1Br ZINC000285572546 131182154 /nfs/dbraw/zinc/18/21/54/131182154.db2.gz WHIGIWKRAVFOPI-JTQLQIEISA-N 1 3 317.296 3.564 20 0 DHADHO c1cc2cc(C[NH2+]CC3CCN(c4ccncc4)CC3)ccc2o1 ZINC000286138904 131221291 /nfs/dbraw/zinc/22/12/91/131221291.db2.gz VLLCUVUKEKHTDM-UHFFFAOYSA-N 1 3 321.424 3.834 20 0 DHADHO Cc1ccnc([C@H](C)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000286314560 131229484 /nfs/dbraw/zinc/22/94/84/131229484.db2.gz XGKVRFPVXQUEMI-KRWDZBQOSA-N 1 3 303.494 3.799 20 0 DHADHO CCCOc1ccc(CNC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000298031967 132044779 /nfs/dbraw/zinc/04/47/79/132044779.db2.gz GBMMHGYJLQSUSH-UHFFFAOYSA-N 1 3 302.462 3.500 20 0 DHADHO c1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298505002 132066371 /nfs/dbraw/zinc/06/63/71/132066371.db2.gz QPYAFIDKFBEOFK-IBGZPJMESA-N 1 3 323.440 3.554 20 0 DHADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1nc2ccccc2n1C ZINC000119957719 132138519 /nfs/dbraw/zinc/13/85/19/132138519.db2.gz CUTBYXBJHYQNGX-HOTGVXAUSA-N 1 3 316.493 3.734 20 0 DHADHO Clc1ccc(-c2nc(CNCC[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000570543105 332771599 /nfs/dbraw/zinc/77/15/99/332771599.db2.gz GBBMCOXQYLGQRI-GFCCVEGCSA-N 1 3 321.877 3.553 20 0 DHADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000171126319 332854390 /nfs/dbraw/zinc/85/43/90/332854390.db2.gz GICFHWUKDSVALV-CYBMUJFWSA-N 1 3 304.384 3.877 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCCSC3)CC2)C1 ZINC000558238217 331885988 /nfs/dbraw/zinc/88/59/88/331885988.db2.gz PHBDMCGNIVRSEI-RYRKJORJSA-N 1 3 310.551 3.762 20 0 DHADHO Cc1cc(Cl)cc(CNCc2ccc(C[NH+](C)C)cc2)c1 ZINC000559232750 331997304 /nfs/dbraw/zinc/99/73/04/331997304.db2.gz OHKIEQKLCCGUAY-UHFFFAOYSA-N 1 3 302.849 4.000 20 0 DHADHO CC1(C)OCC[C@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000559752336 332278913 /nfs/dbraw/zinc/27/89/13/332278913.db2.gz FXLWEEBJUSFKQD-LJQANCHMSA-N 1 3 316.489 3.720 20 0 DHADHO C[N@@H+]1CC[C@H](NCCOCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000559773470 332280581 /nfs/dbraw/zinc/28/05/81/332280581.db2.gz FBTCPXHESXLJKH-LEWJYISDSA-N 1 3 324.468 3.628 20 0 DHADHO C[N@H+]1CC[C@H](NCCOCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000559773470 332280583 /nfs/dbraw/zinc/28/05/83/332280583.db2.gz FBTCPXHESXLJKH-LEWJYISDSA-N 1 3 324.468 3.628 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)C1 ZINC000560245148 332322967 /nfs/dbraw/zinc/32/29/67/332322967.db2.gz HMGNSQYBRXCQSS-NEWSRXKRSA-N 1 3 316.489 3.554 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@H]2C[C@H](Oc3ccccc3)C2(C)C)C1 ZINC000560245148 332322969 /nfs/dbraw/zinc/32/29/69/332322969.db2.gz HMGNSQYBRXCQSS-NEWSRXKRSA-N 1 3 316.489 3.554 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@H]2C[C@H](Oc3ccccc3)C2(C)C)C1 ZINC000560245148 332322971 /nfs/dbraw/zinc/32/29/71/332322971.db2.gz HMGNSQYBRXCQSS-NEWSRXKRSA-N 1 3 316.489 3.554 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@H]2CCC[C@@H]21 ZINC000560518733 332349696 /nfs/dbraw/zinc/34/96/96/332349696.db2.gz XDNATCVLCKQYAX-QYZOEREBSA-N 1 3 310.441 3.909 20 0 DHADHO CC(C)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000560530315 332352489 /nfs/dbraw/zinc/35/24/89/332352489.db2.gz XXCRGFTXJNMWFH-AQNXPRMDSA-N 1 3 316.489 3.684 20 0 DHADHO CC(C)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000560530315 332352490 /nfs/dbraw/zinc/35/24/90/332352490.db2.gz XXCRGFTXJNMWFH-AQNXPRMDSA-N 1 3 316.489 3.684 20 0 DHADHO CC(C)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000560530315 332352491 /nfs/dbraw/zinc/35/24/91/332352491.db2.gz XXCRGFTXJNMWFH-AQNXPRMDSA-N 1 3 316.489 3.684 20 0 DHADHO C[C@@H]([NH3+])c1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000178244782 333005515 /nfs/dbraw/zinc/00/55/15/333005515.db2.gz GTTGERYUYUAHIS-OAHLLOKOSA-N 1 3 323.440 3.554 20 0 DHADHO CCCCOCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180115364 333027350 /nfs/dbraw/zinc/02/73/50/333027350.db2.gz HTPVCWSLNYIRRC-IHWFROFDSA-N 1 3 316.489 3.588 20 0 DHADHO CCCCOCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180115364 333027351 /nfs/dbraw/zinc/02/73/51/333027351.db2.gz HTPVCWSLNYIRRC-IHWFROFDSA-N 1 3 316.489 3.588 20 0 DHADHO Cc1c(Cl)c(CN2CCC([C@@H](C)[NH3+])CC2)nc2ccccc12 ZINC000261921968 333051833 /nfs/dbraw/zinc/05/18/33/333051833.db2.gz HYXMFBWAEIETCW-CYBMUJFWSA-N 1 3 317.864 3.756 20 0 DHADHO CN1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189179619 333065439 /nfs/dbraw/zinc/06/54/39/333065439.db2.gz USAWXFNFBREVGG-LLVKDONJSA-N 1 3 320.786 3.790 20 0 DHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cccc(F)c2)c1 ZINC000065976619 335119939 /nfs/dbraw/zinc/11/99/39/335119939.db2.gz CHZZAGIUPKVMTB-UHFFFAOYSA-N 1 3 300.421 3.956 20 0 DHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cccc(F)c2)c1 ZINC000065976619 335119940 /nfs/dbraw/zinc/11/99/40/335119940.db2.gz CHZZAGIUPKVMTB-UHFFFAOYSA-N 1 3 300.421 3.956 20 0 DHADHO CC[NH+]1CCC(CCN[C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000497824461 333297645 /nfs/dbraw/zinc/29/76/45/333297645.db2.gz ZTJXSROTUVBFBZ-GOSISDBHSA-N 1 3 307.457 3.629 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCCCCOCc2ccccc2)c2ccccc21 ZINC000390598209 333304471 /nfs/dbraw/zinc/30/44/71/333304471.db2.gz UYVOHSHXCQGMGG-UXHICEINSA-N 1 3 310.441 3.718 20 0 DHADHO CC(C)SCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000390738824 333322363 /nfs/dbraw/zinc/32/23/63/333322363.db2.gz AKMGLLFLINTSAA-CEXWTWQISA-N 1 3 318.530 3.628 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCCOc2cccc(Cl)c2)C[C@@H]1C ZINC000531378376 333347682 /nfs/dbraw/zinc/34/76/82/333347682.db2.gz FBZXAOJFBLABCB-RDJZCZTQSA-N 1 3 324.896 3.914 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCCOc2cccc(Cl)c2)C[C@@H]1C ZINC000531378376 333347684 /nfs/dbraw/zinc/34/76/84/333347684.db2.gz FBZXAOJFBLABCB-RDJZCZTQSA-N 1 3 324.896 3.914 20 0 DHADHO CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000571416896 333787902 /nfs/dbraw/zinc/78/79/02/333787902.db2.gz IPKOWAFCUIWBKV-NXHRZFHOSA-N 1 3 304.478 3.654 20 0 DHADHO C[C@@]1(c2ccccc2)CC[C@H](N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000414649811 334054660 /nfs/dbraw/zinc/05/46/60/334054660.db2.gz ALJMERRYVMRAQC-LEWJYISDSA-N 1 3 312.501 3.961 20 0 DHADHO C[C@@H]1C[C@@H](CN2CCSC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414710316 334072530 /nfs/dbraw/zinc/07/25/30/334072530.db2.gz RUXVHNKCJYULNI-JKIFEVAISA-N 1 3 324.921 3.818 20 0 DHADHO CC1CCC(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000414720196 334074029 /nfs/dbraw/zinc/07/40/29/334074029.db2.gz XNAYKURTDOPEBI-AFMYVXGZSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@@H]1C[C@H](CN2CCCC[C@H]2c2nc3ccccc3o2)CC[NH2+]1 ZINC000414760104 334086860 /nfs/dbraw/zinc/08/68/60/334086860.db2.gz XUBJLWBXMXAODJ-INMHGKMJSA-N 1 3 313.445 3.743 20 0 DHADHO CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801330 334101988 /nfs/dbraw/zinc/10/19/88/334101988.db2.gz TZMPJLPKXFHZRG-ARFHVFGLSA-N 1 3 314.395 3.914 20 0 DHADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000414806749 334104578 /nfs/dbraw/zinc/10/45/78/334104578.db2.gz ICPPKDAGTQXMIN-LBPRGKRZSA-N 1 3 319.246 3.759 20 0 DHADHO CCC([NH3+])(CC)CN[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414808173 334104824 /nfs/dbraw/zinc/10/48/24/334104824.db2.gz KOKIOIRAOUONAN-LBPRGKRZSA-N 1 3 302.384 3.744 20 0 DHADHO COc1ccc(C2CCC([NH2+][C@H]3CCCC[C@@H]3CN)CC2)cc1 ZINC000414809883 334104838 /nfs/dbraw/zinc/10/48/38/334104838.db2.gz UUAQQIJQZBRVLJ-GFFQMZFXSA-N 1 3 316.489 3.829 20 0 DHADHO CCOc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1F ZINC000414808737 334104965 /nfs/dbraw/zinc/10/49/65/334104965.db2.gz FTSJZDXJPMABMW-CYBMUJFWSA-N 1 3 302.393 3.534 20 0 DHADHO C[C@H]([NH3+])c1ccc(CNCc2cccc(Br)c2)cc1 ZINC000414811262 334105897 /nfs/dbraw/zinc/10/58/97/334105897.db2.gz PNXBMJDZFXSASC-LBPRGKRZSA-N 1 3 319.246 3.759 20 0 DHADHO CCCC[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414816544 334107228 /nfs/dbraw/zinc/10/72/28/334107228.db2.gz PYYUKMXLUXSSCV-MAUKXSAKSA-N 1 3 319.493 3.634 20 0 DHADHO FC(F)(F)c1ccc(Cl)c(CNCC[C@H]2CCC[NH2+]C2)c1 ZINC000414844381 334114289 /nfs/dbraw/zinc/11/42/89/334114289.db2.gz DPTRIDFQHPOQIQ-LLVKDONJSA-N 1 3 320.786 3.838 20 0 DHADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@H]([NH3+])C1CC1 ZINC000414892067 334158401 /nfs/dbraw/zinc/15/84/01/334158401.db2.gz PFXSSCRUVLISQY-ZFWWWQNUSA-N 1 3 301.261 3.641 20 0 DHADHO N[C@@H](C[NH2+]Cc1ccc(-c2ccccc2Cl)s1)C1CC1 ZINC000414898745 334162057 /nfs/dbraw/zinc/16/20/57/334162057.db2.gz TXMCFNNJAIXBPS-HNNXBMFYSA-N 1 3 306.862 3.895 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414901543 334165472 /nfs/dbraw/zinc/16/54/72/334165472.db2.gz GDJNWIJWEHZANN-CJNGLKHVSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414901543 334165474 /nfs/dbraw/zinc/16/54/74/334165474.db2.gz GDJNWIJWEHZANN-CJNGLKHVSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCCc2cc(N)ccc21 ZINC000414927777 334189991 /nfs/dbraw/zinc/18/99/91/334189991.db2.gz MLIJTECDHXPNIY-BJZITVGISA-N 1 3 301.478 3.547 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414941259 334202440 /nfs/dbraw/zinc/20/24/40/334202440.db2.gz LHTJSQADSRLIFU-FIXISWKDSA-N 1 3 301.261 3.512 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414941259 334202441 /nfs/dbraw/zinc/20/24/41/334202441.db2.gz LHTJSQADSRLIFU-FIXISWKDSA-N 1 3 301.261 3.512 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)CCN1 ZINC000414943970 334203434 /nfs/dbraw/zinc/20/34/34/334203434.db2.gz FZYMWDOHUKMWKC-DOMZBBRYSA-N 1 3 304.434 3.784 20 0 DHADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414944466 334204072 /nfs/dbraw/zinc/20/40/72/334204072.db2.gz GURXLRHHMYJTQN-ZENOOKHLSA-N 1 3 314.395 3.757 20 0 DHADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414944466 334204074 /nfs/dbraw/zinc/20/40/74/334204074.db2.gz GURXLRHHMYJTQN-ZENOOKHLSA-N 1 3 314.395 3.757 20 0 DHADHO C[C@H]1C[C@@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)CCN1 ZINC000414945958 334205246 /nfs/dbraw/zinc/20/52/46/334205246.db2.gz IZOMPWCNSROLKL-AVRDEDQJSA-N 1 3 322.496 3.818 20 0 DHADHO CC1([NH2+]Cc2ccc(-c3cccc(F)c3)s2)CCNCC1 ZINC000414946895 334206206 /nfs/dbraw/zinc/20/62/06/334206206.db2.gz UVQGXWCUECCUQB-UHFFFAOYSA-N 1 3 304.434 3.786 20 0 DHADHO C[C@@H](C[NH2+][C@@H]1CCNCC1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000414967836 334215330 /nfs/dbraw/zinc/21/53/30/334215330.db2.gz HSQGXMOMQCSZMJ-SWLSCSKDSA-N 1 3 314.395 3.787 20 0 DHADHO C[C@@H](CN[C@@H]1CC[NH2+]CC1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000414967836 334215331 /nfs/dbraw/zinc/21/53/31/334215331.db2.gz HSQGXMOMQCSZMJ-SWLSCSKDSA-N 1 3 314.395 3.787 20 0 DHADHO Fc1ccc(CNCCC[C@H]2CCC[NH2+]2)c(Cl)c1Cl ZINC000414972759 334220529 /nfs/dbraw/zinc/22/05/29/334220529.db2.gz YDELLAXTFSLBPB-NSHDSACASA-N 1 3 305.224 3.754 20 0 DHADHO [NH3+][C@H]1CCC[C@H](CNCc2csc(-c3ccc(F)cc3)n2)C1 ZINC000414992468 334231118 /nfs/dbraw/zinc/23/11/18/334231118.db2.gz KMRDOVCBWSAJIB-WFASDCNBSA-N 1 3 319.449 3.556 20 0 DHADHO Cc1ccc(CNC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000415003475 334241412 /nfs/dbraw/zinc/24/14/12/334241412.db2.gz NDZCJJRASQMMBK-AZUAARDMSA-N 1 3 312.432 3.617 20 0 DHADHO Cc1ccc(C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000415003475 334241414 /nfs/dbraw/zinc/24/14/14/334241414.db2.gz NDZCJJRASQMMBK-AZUAARDMSA-N 1 3 312.432 3.617 20 0 DHADHO c1c2ccccc2sc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415060183 334262060 /nfs/dbraw/zinc/26/20/60/334262060.db2.gz YJHJRYFRWXLPDQ-RDJZCZTQSA-N 1 3 300.471 3.865 20 0 DHADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCCNC1CC1 ZINC000415073567 334265279 /nfs/dbraw/zinc/26/52/79/334265279.db2.gz YUWSWGLGJWOFRR-CYBMUJFWSA-N 1 3 314.395 3.758 20 0 DHADHO COc1ccccc1[C@H](NC[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000415076341 334268728 /nfs/dbraw/zinc/26/87/28/334268728.db2.gz AUTRBEMTWSLJPI-XGHQBKJUSA-N 1 3 324.468 3.762 20 0 DHADHO COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)CN(C)C)CCCS2 ZINC000187672977 334268827 /nfs/dbraw/zinc/26/88/27/334268827.db2.gz HRLPBVPMUVUZDI-INIZCTEOSA-N 1 3 322.518 3.800 20 0 DHADHO COc1ccccc1SC[C@H](C)CN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415080136 334269768 /nfs/dbraw/zinc/26/97/68/334269768.db2.gz LCEIOUAUAGZJTO-OAGGEKHMSA-N 1 3 322.518 3.544 20 0 DHADHO Cc1ccccc1C(C)(C)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415095286 334280995 /nfs/dbraw/zinc/28/09/95/334280995.db2.gz ZISCGSGJUZEBGR-YTQUADARSA-N 1 3 300.490 3.783 20 0 DHADHO C[C@@H](NCC1CC[NH2+]CC1)c1c(Cl)ccc(F)c1Cl ZINC000415110984 334281924 /nfs/dbraw/zinc/28/19/24/334281924.db2.gz QWNPFTZGGSLKKO-SECBINFHSA-N 1 3 305.224 3.783 20 0 DHADHO CC(C)C[C@@H]([NH3+])CNCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000415111018 334281950 /nfs/dbraw/zinc/28/19/50/334281950.db2.gz UAJDTXYYEIGXDY-OAHLLOKOSA-N 1 3 314.395 3.700 20 0 DHADHO CN1CCC[C@@H]1CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000535050749 334360448 /nfs/dbraw/zinc/36/04/48/334360448.db2.gz OWLMTDVPTAYIEO-GOSISDBHSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000531987713 334361052 /nfs/dbraw/zinc/36/10/52/334361052.db2.gz BBANFMPPCBNLLV-OAHLLOKOSA-N 1 3 316.489 3.714 20 0 DHADHO CN1CCC(Oc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)CC1 ZINC000341276093 334427969 /nfs/dbraw/zinc/42/79/69/334427969.db2.gz RYMQLRUWNWXFHP-KRWDZBQOSA-N 1 3 314.473 3.606 20 0 DHADHO Fc1ccc2oc(C[NH2+]C3CCN(C4CCC4)CC3)cc2c1 ZINC000343772018 335192106 /nfs/dbraw/zinc/19/21/06/335192106.db2.gz VTLQWDQYGISVEK-UHFFFAOYSA-N 1 3 302.393 3.678 20 0 DHADHO CCCN(CCCCn1ccnc1C)CC[NH+]1CCCCCC1 ZINC000344029956 335210430 /nfs/dbraw/zinc/21/04/30/335210430.db2.gz BGCANHCCWABCSJ-UHFFFAOYSA-N 1 3 320.525 3.560 20 0 DHADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000344303962 335238720 /nfs/dbraw/zinc/23/87/20/335238720.db2.gz MOGDXNBLESVULR-MRXNPFEDSA-N 1 3 307.441 3.661 20 0 DHADHO CC(C)c1ccc2c(c1)[C@@H](NCC1=CC[N@H+](C)CC1)CCCO2 ZINC000344305529 335238955 /nfs/dbraw/zinc/23/89/55/335238955.db2.gz VDLLWBAGFCAYIC-IBGZPJMESA-N 1 3 314.473 3.875 20 0 DHADHO CC(C)c1ccc2c(c1)[C@@H](NCC1=CC[N@@H+](C)CC1)CCCO2 ZINC000344305529 335238956 /nfs/dbraw/zinc/23/89/56/335238956.db2.gz VDLLWBAGFCAYIC-IBGZPJMESA-N 1 3 314.473 3.875 20 0 DHADHO CCN(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345181283 335305630 /nfs/dbraw/zinc/30/56/30/335305630.db2.gz QDSPSKBFASCPIB-CQSZACIVSA-N 1 3 316.367 3.549 20 0 DHADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)[C@H]1CCCO1 ZINC000346464449 335409809 /nfs/dbraw/zinc/40/98/09/335409809.db2.gz QEEQVUMGPDLWRA-YLJYHZDGSA-N 1 3 316.489 3.576 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000526112969 336165222 /nfs/dbraw/zinc/16/52/22/336165222.db2.gz PMMLLVJOGGSIQV-IAGOWNOFSA-N 1 3 306.469 3.887 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](C)c2ccc(F)cc2)C1 ZINC000526112969 336165224 /nfs/dbraw/zinc/16/52/24/336165224.db2.gz PMMLLVJOGGSIQV-IAGOWNOFSA-N 1 3 306.469 3.887 20 0 DHADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](C)c2ccc(F)cc2)C1 ZINC000526112969 336165226 /nfs/dbraw/zinc/16/52/26/336165226.db2.gz PMMLLVJOGGSIQV-IAGOWNOFSA-N 1 3 306.469 3.887 20 0 DHADHO CCc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cn1 ZINC000352756030 336235118 /nfs/dbraw/zinc/23/51/18/336235118.db2.gz ANUNKHJRHXZXCG-UHFFFAOYSA-N 1 3 311.473 3.774 20 0 DHADHO CCc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000352756030 336235119 /nfs/dbraw/zinc/23/51/19/336235119.db2.gz ANUNKHJRHXZXCG-UHFFFAOYSA-N 1 3 311.473 3.774 20 0 DHADHO Cc1nc(-c2ccc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)cs1 ZINC000532470983 336249652 /nfs/dbraw/zinc/24/96/52/336249652.db2.gz UMKQPYLPSIYSBT-SUMWQHHRSA-N 1 3 315.486 3.548 20 0 DHADHO Cc1nc(-c2ccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)cs1 ZINC000532470983 336249653 /nfs/dbraw/zinc/24/96/53/336249653.db2.gz UMKQPYLPSIYSBT-SUMWQHHRSA-N 1 3 315.486 3.548 20 0 DHADHO C[C@H](c1cccnc1)[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352831590 336269648 /nfs/dbraw/zinc/26/96/48/336269648.db2.gz LXSBMQPJLPHFRL-NQIIRXRSSA-N 1 3 321.468 3.741 20 0 DHADHO C[C@H](c1cccnc1)[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352831590 336269649 /nfs/dbraw/zinc/26/96/49/336269649.db2.gz LXSBMQPJLPHFRL-NQIIRXRSSA-N 1 3 321.468 3.741 20 0 DHADHO COc1ccc([C@@H]([NH2+]CCCN2CCCCC2)C2CC2)cc1 ZINC000192940627 336285510 /nfs/dbraw/zinc/28/55/10/336285510.db2.gz DUPHJVBJEVKBTO-IBGZPJMESA-N 1 3 302.462 3.612 20 0 DHADHO COc1ccc([C@@H](NCCC[NH+]2CCCCC2)C2CC2)cc1 ZINC000192940627 336285511 /nfs/dbraw/zinc/28/55/11/336285511.db2.gz DUPHJVBJEVKBTO-IBGZPJMESA-N 1 3 302.462 3.612 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000514099837 336303682 /nfs/dbraw/zinc/30/36/82/336303682.db2.gz RISBIVPGVXAXMT-XOKHGSTOSA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000514099837 336303683 /nfs/dbraw/zinc/30/36/83/336303683.db2.gz RISBIVPGVXAXMT-XOKHGSTOSA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000514099837 336303684 /nfs/dbraw/zinc/30/36/84/336303684.db2.gz RISBIVPGVXAXMT-XOKHGSTOSA-N 1 3 308.416 3.502 20 0 DHADHO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ccccc2n1 ZINC000301770640 336328774 /nfs/dbraw/zinc/32/87/74/336328774.db2.gz IZTDUVUGGQHYKI-JXFKEZNVSA-N 1 3 321.468 3.996 20 0 DHADHO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2ccccc2n1 ZINC000301770640 336328775 /nfs/dbraw/zinc/32/87/75/336328775.db2.gz IZTDUVUGGQHYKI-JXFKEZNVSA-N 1 3 321.468 3.996 20 0 DHADHO CCCc1cc(N2CC[C@H](C[N@H+](C)CC)C2)c2ccccc2n1 ZINC000301797680 336330580 /nfs/dbraw/zinc/33/05/80/336330580.db2.gz QRUPVDVSBVWWON-MRXNPFEDSA-N 1 3 311.473 3.965 20 0 DHADHO CCCc1cc(N2CC[C@H](C[N@@H+](C)CC)C2)c2ccccc2n1 ZINC000301797680 336330581 /nfs/dbraw/zinc/33/05/81/336330581.db2.gz QRUPVDVSBVWWON-MRXNPFEDSA-N 1 3 311.473 3.965 20 0 DHADHO Cc1ccc2nccc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000302220312 336354557 /nfs/dbraw/zinc/35/45/57/336354557.db2.gz MADYMJGWAALWIA-OXQOHEQNSA-N 1 3 321.468 3.996 20 0 DHADHO Cc1ccc2nccc(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000302220312 336354558 /nfs/dbraw/zinc/35/45/58/336354558.db2.gz MADYMJGWAALWIA-OXQOHEQNSA-N 1 3 321.468 3.996 20 0 DHADHO C[C@@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCO[C@H]1C1CC1 ZINC000372097498 336922005 /nfs/dbraw/zinc/92/20/05/336922005.db2.gz ZUUSHDFMSYNQBZ-PMACEKPBSA-N 1 3 320.521 3.578 20 0 DHADHO c1cc2cnccc2c(C2CC[NH+](CCCN3CCCC3)CC2)c1 ZINC000375946211 337023918 /nfs/dbraw/zinc/02/39/18/337023918.db2.gz GNRVUBPJIZHMDM-UHFFFAOYSA-N 1 3 323.484 3.900 20 0 DHADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000376147566 337028346 /nfs/dbraw/zinc/02/83/46/337028346.db2.gz CIKSBWQDXBXNEX-NJAFHUGGSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC[N@@H+]1C ZINC000122975570 337031352 /nfs/dbraw/zinc/03/13/52/337031352.db2.gz GZTUQFYYDUVMAO-HACGYAERSA-N 1 3 324.415 3.738 20 0 DHADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC[N@H+]1C ZINC000122975570 337031353 /nfs/dbraw/zinc/03/13/53/337031353.db2.gz GZTUQFYYDUVMAO-HACGYAERSA-N 1 3 324.415 3.738 20 0 DHADHO C[C@@H](C[N@H+](C)C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000377696768 337058801 /nfs/dbraw/zinc/05/88/01/337058801.db2.gz NLTDBUCXPXZXQG-KRWDZBQOSA-N 1 3 309.457 3.786 20 0 DHADHO C[C@@H](C[N@@H+](C)C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000377696768 337058802 /nfs/dbraw/zinc/05/88/02/337058802.db2.gz NLTDBUCXPXZXQG-KRWDZBQOSA-N 1 3 309.457 3.786 20 0 DHADHO Cc1ccc(CNC[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000377759339 337060213 /nfs/dbraw/zinc/06/02/13/337060213.db2.gz GCVUEEQCAHJBFU-WMZOPIPTSA-N 1 3 300.471 3.839 20 0 DHADHO Cc1ccc(CNC[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)s1 ZINC000377759339 337060214 /nfs/dbraw/zinc/06/02/14/337060214.db2.gz GCVUEEQCAHJBFU-WMZOPIPTSA-N 1 3 300.471 3.839 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834084 337062068 /nfs/dbraw/zinc/06/20/68/337062068.db2.gz IYJDYHXVXBAHOO-NHCUHLMSSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834084 337062069 /nfs/dbraw/zinc/06/20/69/337062069.db2.gz IYJDYHXVXBAHOO-NHCUHLMSSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834084 337062070 /nfs/dbraw/zinc/06/20/70/337062070.db2.gz IYJDYHXVXBAHOO-NHCUHLMSSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834084 337062071 /nfs/dbraw/zinc/06/20/71/337062071.db2.gz IYJDYHXVXBAHOO-NHCUHLMSSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834085 337062077 /nfs/dbraw/zinc/06/20/77/337062077.db2.gz IYJDYHXVXBAHOO-RTWAWAEBSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834085 337062078 /nfs/dbraw/zinc/06/20/78/337062078.db2.gz IYJDYHXVXBAHOO-RTWAWAEBSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834085 337062079 /nfs/dbraw/zinc/06/20/79/337062079.db2.gz IYJDYHXVXBAHOO-RTWAWAEBSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834085 337062080 /nfs/dbraw/zinc/06/20/80/337062080.db2.gz IYJDYHXVXBAHOO-RTWAWAEBSA-N 1 3 321.468 3.665 20 0 DHADHO CC(C)[NH+]1CCC(NCc2ccccc2-c2ccncc2)CC1 ZINC000378171188 337067702 /nfs/dbraw/zinc/06/77/02/337067702.db2.gz WNFLBVWGDGXSKN-UHFFFAOYSA-N 1 3 309.457 3.711 20 0 DHADHO CCc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c2ccccc2n1 ZINC000582478534 337096219 /nfs/dbraw/zinc/09/62/19/337096219.db2.gz RAENAYYZWQZYPD-RDJZCZTQSA-N 1 3 309.457 3.860 20 0 DHADHO Cc1nc(C)c([C@@H](C)NCCCC[NH+]2CCC(C)CC2)s1 ZINC000178106114 337162299 /nfs/dbraw/zinc/16/22/99/337162299.db2.gz ADHQPPJACDJURX-CQSZACIVSA-N 1 3 309.523 3.923 20 0 DHADHO FC(F)(F)C1CCC(C[N@@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000185516840 337248809 /nfs/dbraw/zinc/24/88/09/337248809.db2.gz GOGVUUMBLFASOB-PCKAHOCUSA-N 1 3 318.427 3.773 20 0 DHADHO FC(F)(F)C1CCC(C[N@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000185516840 337248810 /nfs/dbraw/zinc/24/88/10/337248810.db2.gz GOGVUUMBLFASOB-PCKAHOCUSA-N 1 3 318.427 3.773 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000193335017 337310054 /nfs/dbraw/zinc/31/00/54/337310054.db2.gz VXEHCBZCZAQSKY-MQVJKMGUSA-N 1 3 312.379 3.729 20 0 DHADHO C/C(=C\c1ccccc1OC(F)F)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000584439448 337325709 /nfs/dbraw/zinc/32/57/09/337325709.db2.gz WKXTZKSSCFOOEN-AWIOHZCQSA-N 1 3 324.415 3.764 20 0 DHADHO C/C(=C\c1ccccc1OC(F)F)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000584439448 337325710 /nfs/dbraw/zinc/32/57/10/337325710.db2.gz WKXTZKSSCFOOEN-AWIOHZCQSA-N 1 3 324.415 3.764 20 0 DHADHO c1ccc(COC2CC[NH+](CCCN3CCCCC3)CC2)cc1 ZINC000193469587 337326813 /nfs/dbraw/zinc/32/68/13/337326813.db2.gz MCQCVRMVJVANRE-UHFFFAOYSA-N 1 3 316.489 3.544 20 0 DHADHO Clc1cccc2c1CC[C@@H]2N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420332225 337499474 /nfs/dbraw/zinc/49/94/74/337499474.db2.gz GJAGBVGVDXGETF-ROUUACIJSA-N 1 3 304.865 3.791 20 0 DHADHO C[C@H](c1cccc(Br)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000420325381 337499966 /nfs/dbraw/zinc/49/99/66/337499966.db2.gz BQWVLPRTWJRPLA-CYBMUJFWSA-N 1 3 323.278 3.586 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3ccccc32)C[C@@H](C)O1 ZINC000247175889 337558273 /nfs/dbraw/zinc/55/82/73/337558273.db2.gz YVTLTIOYPQUOKT-HLIPFELVSA-N 1 3 316.489 3.543 20 0 DHADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccncc1Cl ZINC000421822007 337649376 /nfs/dbraw/zinc/64/93/76/337649376.db2.gz VIMGFXOGQQVSHG-HNNXBMFYSA-N 1 3 309.885 3.898 20 0 DHADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422700589 337683505 /nfs/dbraw/zinc/68/35/05/337683505.db2.gz AHIPPDNDHHNPOM-YJBOKZPZSA-N 1 3 311.473 3.911 20 0 DHADHO CCc1ccc([C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)N(C)C)cc1 ZINC000422734972 337684440 /nfs/dbraw/zinc/68/44/40/337684440.db2.gz VFRAYZZBQWXURU-HBMCJLEFSA-N 1 3 323.484 3.586 20 0 DHADHO CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422807203 337687549 /nfs/dbraw/zinc/68/75/49/337687549.db2.gz JICHQVUOPJBFGU-IYWMVGAKSA-N 1 3 300.490 3.937 20 0 DHADHO C[C@H](CCC[NH3+])N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422883486 337689835 /nfs/dbraw/zinc/68/98/35/337689835.db2.gz CIBADGFUUUIWNO-CXAGYDPISA-N 1 3 303.837 3.541 20 0 DHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422890593 337690252 /nfs/dbraw/zinc/69/02/52/337690252.db2.gz SMKHZKGGLLRCJF-QUCCMNQESA-N 1 3 312.457 3.716 20 0 DHADHO c1ccc(CC2(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422926451 337691791 /nfs/dbraw/zinc/69/17/91/337691791.db2.gz DAHMXTDKNYLYPT-SLFFLAALSA-N 1 3 312.501 3.910 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)NC1(c2ccc(Br)cc2)CCC1 ZINC000422933049 337692285 /nfs/dbraw/zinc/69/22/85/337692285.db2.gz DCQUMTFZSPKCPU-NEPJUHHUSA-N 1 3 311.267 3.544 20 0 DHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422932636 337692289 /nfs/dbraw/zinc/69/22/89/337692289.db2.gz GEIQSDYCOSDYSS-PBHICJAKSA-N 1 3 310.869 3.606 20 0 DHADHO C[C@@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422984427 337693658 /nfs/dbraw/zinc/69/36/58/337693658.db2.gz AWEZKFFLFTYVMU-XFQXTVEOSA-N 1 3 308.425 3.593 20 0 DHADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000422988354 337693828 /nfs/dbraw/zinc/69/38/28/337693828.db2.gz IUNJSKPLKUKOBV-NOLJZWGESA-N 1 3 312.404 3.717 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCc1ccc(Cl)cc1 ZINC000422948287 337694283 /nfs/dbraw/zinc/69/42/83/337694283.db2.gz RPKDYRIUMVZLKE-ZDUSSCGKSA-N 1 3 317.864 3.786 20 0 DHADHO Cc1cc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1-c1ccccc1 ZINC000423066784 337698191 /nfs/dbraw/zinc/69/81/91/337698191.db2.gz XWGBNBGYKUMDOQ-ORYQWCPZSA-N 1 3 324.468 3.504 20 0 DHADHO Fc1ccc([C@@H]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423080477 337698605 /nfs/dbraw/zinc/69/86/05/337698605.db2.gz AHCAOLISUQWPCP-MTEHYEEQSA-N 1 3 316.464 3.972 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423095069 337699116 /nfs/dbraw/zinc/69/91/16/337699116.db2.gz LHFQPQAHLZLGNM-SDADXPQNSA-N 1 3 312.379 3.668 20 0 DHADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423098676 337699331 /nfs/dbraw/zinc/69/93/31/337699331.db2.gz DFBTYMJKEKHRGM-SWLSCSKDSA-N 1 3 321.877 3.681 20 0 DHADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(C2CCCCC2)cc1 ZINC000423128944 337700837 /nfs/dbraw/zinc/70/08/37/337700837.db2.gz LKEQDTVABXAMRV-BEVDRBHNSA-N 1 3 316.489 3.576 20 0 DHADHO Cc1cccnc1C(C)(C)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423138396 337701257 /nfs/dbraw/zinc/70/12/57/337701257.db2.gz JEZOFXVFIHRATH-RCCFBDPRSA-N 1 3 315.505 3.568 20 0 DHADHO Cc1cccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423160078 337701932 /nfs/dbraw/zinc/70/19/32/337701932.db2.gz GUJMOTKSKVZMPL-LDQXTDLNSA-N 1 3 322.452 3.902 20 0 DHADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423226698 337705840 /nfs/dbraw/zinc/70/58/40/337705840.db2.gz RWEATHVYQBYOKY-LSDHHAIUSA-N 1 3 316.420 3.793 20 0 DHADHO COc1ccccc1-c1ccc([C@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423341238 337712835 /nfs/dbraw/zinc/71/28/35/337712835.db2.gz KEAXQCJCRMJUGT-INIZCTEOSA-N 1 3 322.452 3.933 20 0 DHADHO Cc1ccc(C)c([C@@H](NCC2=CC[NH2+]CC2)c2ccccc2)c1 ZINC000423343641 337712958 /nfs/dbraw/zinc/71/29/58/337712958.db2.gz MDGFFUNATPJYPG-NRFANRHFSA-N 1 3 306.453 3.902 20 0 DHADHO CC(C)c1ccc2c(c1)[C@@H](NCC1=CC[NH2+]CC1)CCCO2 ZINC000423345484 337713180 /nfs/dbraw/zinc/71/31/80/337713180.db2.gz ODYAHHPXBZXKLD-SFHVURJKSA-N 1 3 300.446 3.533 20 0 DHADHO c1ccc(C[C@H]2CC[C@H]([NH2+]Cc3ccc4c(c3)CNC4)C2)cc1 ZINC000423372203 337715310 /nfs/dbraw/zinc/71/53/10/337715310.db2.gz GWRNPFYIBAQFTA-UTKZUKDTSA-N 1 3 306.453 3.791 20 0 DHADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)c2cccc(Br)c21 ZINC000423407301 337715886 /nfs/dbraw/zinc/71/58/86/337715886.db2.gz ZTNMGWTURHDFSB-BLTAXRJOSA-N 1 3 323.278 3.857 20 0 DHADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1ccc(F)cc1Br ZINC000423422146 337716839 /nfs/dbraw/zinc/71/68/39/337716839.db2.gz CYDVAEQTGDRDBK-QWRGUYRKSA-N 1 3 317.246 3.756 20 0 DHADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(Br)c1 ZINC000423383687 337717915 /nfs/dbraw/zinc/71/79/15/337717915.db2.gz KOWYTQHSWVKWTM-DLOVCJGASA-N 1 3 315.230 3.509 20 0 DHADHO c1ccc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423384950 337717920 /nfs/dbraw/zinc/71/79/20/337717920.db2.gz LEFGZQLLQWPMHX-NQIIRXRSSA-N 1 3 306.453 3.791 20 0 DHADHO c1ccc([C@@H](C[C@H]2CCOC2)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423390552 337718299 /nfs/dbraw/zinc/71/82/99/337718299.db2.gz OYCQLZQFSKQXDE-DYESRHJHSA-N 1 3 322.452 3.547 20 0 DHADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1N(C)C ZINC000423513132 337724219 /nfs/dbraw/zinc/72/42/19/337724219.db2.gz VFPLNZPHBNJNFO-VQIMIIECSA-N 1 3 311.473 3.883 20 0 DHADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)COC2 ZINC000423519054 337724387 /nfs/dbraw/zinc/72/43/87/337724387.db2.gz ZTGGHWQJKHOIDU-FOIQADDNSA-N 1 3 310.441 3.848 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2ccnc(C)c2)CC1 ZINC000527538021 337750263 /nfs/dbraw/zinc/75/02/63/337750263.db2.gz IQSAZDVEVXZSJU-UHFFFAOYSA-N 1 3 303.494 3.724 20 0 DHADHO Cc1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)ccn1 ZINC000527631776 337753084 /nfs/dbraw/zinc/75/30/84/337753084.db2.gz IUBWSONTHDARCY-UHFFFAOYSA-N 1 3 309.457 3.666 20 0 DHADHO CC[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C(C)C ZINC000536875529 337791174 /nfs/dbraw/zinc/79/11/74/337791174.db2.gz HNAHGRDXBGRIFH-HXUWFJFHSA-N 1 3 317.521 3.613 20 0 DHADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCOc2cccc3ccccc32)C1 ZINC000430551431 338108533 /nfs/dbraw/zinc/10/85/33/338108533.db2.gz PSVMOOXDNLLDMY-AEFFLSMTSA-N 1 3 312.457 3.668 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCSCc2ccccc2)[C@H](C)C1 ZINC000430750963 338113599 /nfs/dbraw/zinc/11/35/99/338113599.db2.gz QYAJPXPKBYIGMD-AEFFLSMTSA-N 1 3 306.519 3.582 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCSCc2ccccc2)[C@H](C)C1 ZINC000430750963 338113600 /nfs/dbraw/zinc/11/36/00/338113600.db2.gz QYAJPXPKBYIGMD-AEFFLSMTSA-N 1 3 306.519 3.582 20 0 DHADHO C[C@H](c1ccc(Br)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431040024 338121079 /nfs/dbraw/zinc/12/10/79/338121079.db2.gz UVZPCCOYBJBFKN-CYBMUJFWSA-N 1 3 323.278 3.586 20 0 DHADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000432441858 338156567 /nfs/dbraw/zinc/15/65/67/338156567.db2.gz KXYDTBCJBAXYSD-CRAIPNDOSA-N 1 3 324.896 3.882 20 0 DHADHO CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000432441858 338156568 /nfs/dbraw/zinc/15/65/68/338156568.db2.gz KXYDTBCJBAXYSD-CRAIPNDOSA-N 1 3 324.896 3.882 20 0 DHADHO c1csc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435425658 338239798 /nfs/dbraw/zinc/23/97/98/338239798.db2.gz DZQPMHJNSTZWTR-INIZCTEOSA-N 1 3 318.511 3.954 20 0 DHADHO C[NH+](C)Cc1ccc(CNCc2cc3c(cccc3F)[nH]2)cc1 ZINC000436273103 338264974 /nfs/dbraw/zinc/26/49/74/338264974.db2.gz UZXGSZARHJRMJU-UHFFFAOYSA-N 1 3 311.404 3.658 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000437774526 338320787 /nfs/dbraw/zinc/32/07/87/338320787.db2.gz LKVBFBCHXNCVAP-DLBZAZTESA-N 1 3 306.469 3.714 20 0 DHADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000437774526 338320788 /nfs/dbraw/zinc/32/07/88/338320788.db2.gz LKVBFBCHXNCVAP-DLBZAZTESA-N 1 3 306.469 3.714 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000437774526 338320789 /nfs/dbraw/zinc/32/07/89/338320789.db2.gz LKVBFBCHXNCVAP-DLBZAZTESA-N 1 3 306.469 3.714 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]2CCCC[C@@H]2O)CC1 ZINC000449160738 338598115 /nfs/dbraw/zinc/59/81/15/338598115.db2.gz MZOCPIPLGIAOKI-AEFFLSMTSA-N 1 3 324.553 3.806 20 0 DHADHO Cc1cc(C)c(CC[NH2+]C2CCN(c3ccncc3)CC2)c(C)c1 ZINC000459389115 339026352 /nfs/dbraw/zinc/02/63/52/339026352.db2.gz LUISJJTURLVMHH-UHFFFAOYSA-N 1 3 323.484 3.808 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000459735869 339045084 /nfs/dbraw/zinc/04/50/84/339045084.db2.gz PWSZGCPIGRJLNH-GFCCVEGCSA-N 1 3 318.358 3.666 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000459735869 339045085 /nfs/dbraw/zinc/04/50/85/339045085.db2.gz PWSZGCPIGRJLNH-GFCCVEGCSA-N 1 3 318.358 3.666 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000459734936 339045090 /nfs/dbraw/zinc/04/50/90/339045090.db2.gz OYZBVOXHVNRYBK-LBPRGKRZSA-N 1 3 318.358 3.666 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000459734936 339045091 /nfs/dbraw/zinc/04/50/91/339045091.db2.gz OYZBVOXHVNRYBK-LBPRGKRZSA-N 1 3 318.358 3.666 20 0 DHADHO CCC[NH+]1CCC(N[C@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000462102413 339072075 /nfs/dbraw/zinc/07/20/75/339072075.db2.gz BZNGGAZOIBTJNK-PMACEKPBSA-N 1 3 316.489 3.679 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000466344160 339199998 /nfs/dbraw/zinc/19/99/98/339199998.db2.gz ACVJWFBECYJVLQ-UAFMIMERSA-N 1 3 322.537 3.539 20 0 DHADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCN1CCC(C)CC1 ZINC000467306854 339230903 /nfs/dbraw/zinc/23/09/03/339230903.db2.gz CDCWHSQRXTUWCA-SFHVURJKSA-N 1 3 320.452 3.533 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CC1CCOCC1 ZINC000468553073 339266051 /nfs/dbraw/zinc/26/60/51/339266051.db2.gz JJKGKHRMJQZMMX-NEWSRXKRSA-N 1 3 310.526 3.682 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OCC2CC2)[C@@H](C)C1 ZINC000468921757 339274937 /nfs/dbraw/zinc/27/49/37/339274937.db2.gz HVSGFEHTRVZFQR-LPHOPBHVSA-N 1 3 316.489 3.604 20 0 DHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4ccc(F)cc4)s3)C[C@H]12 ZINC000469871377 339303298 /nfs/dbraw/zinc/30/32/98/339303298.db2.gz RUCOLJBCENEEPY-RRQGHBQHSA-N 1 3 316.445 3.723 20 0 DHADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccc(OC4CCCC4)c3)C[C@H]21 ZINC000469871230 339303352 /nfs/dbraw/zinc/30/33/52/339303352.db2.gz LJQKBPKXVCRIIW-PWIZWCRZSA-N 1 3 314.473 3.567 20 0 DHADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000470968721 339333449 /nfs/dbraw/zinc/33/34/49/339333449.db2.gz NLEFMRBZUQAICC-GOSISDBHSA-N 1 3 320.908 3.936 20 0 DHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000470968721 339333450 /nfs/dbraw/zinc/33/34/50/339333450.db2.gz NLEFMRBZUQAICC-GOSISDBHSA-N 1 3 320.908 3.936 20 0 DHADHO C[C@H](c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470992248 339333891 /nfs/dbraw/zinc/33/38/91/339333891.db2.gz HMQCIQVPDBPYOL-UIFIKXQLSA-N 1 3 306.453 3.811 20 0 DHADHO C[C@H](c1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470992248 339333892 /nfs/dbraw/zinc/33/38/92/339333892.db2.gz HMQCIQVPDBPYOL-UIFIKXQLSA-N 1 3 306.453 3.811 20 0 DHADHO CCC(O)(CC)CCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000471790602 339354104 /nfs/dbraw/zinc/35/41/04/339354104.db2.gz UCCGTNXGFGPGBC-AEFFLSMTSA-N 1 3 310.526 3.560 20 0 DHADHO CCC(O)(CC)CC[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000471790602 339354105 /nfs/dbraw/zinc/35/41/05/339354105.db2.gz UCCGTNXGFGPGBC-AEFFLSMTSA-N 1 3 310.526 3.560 20 0 DHADHO CCC(O)(CC)CCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000471790603 339354178 /nfs/dbraw/zinc/35/41/78/339354178.db2.gz UCCGTNXGFGPGBC-FUHWJXTLSA-N 1 3 310.526 3.560 20 0 DHADHO CCC(O)(CC)CC[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000471790603 339354179 /nfs/dbraw/zinc/35/41/79/339354179.db2.gz UCCGTNXGFGPGBC-FUHWJXTLSA-N 1 3 310.526 3.560 20 0 DHADHO Cc1cccnc1CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472339302 339370168 /nfs/dbraw/zinc/37/01/68/339370168.db2.gz LNXCQGFDPJMCKF-FPOVZHCZSA-N 1 3 323.484 3.562 20 0 DHADHO CC(C)N(CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C(C)C ZINC000474041438 339398488 /nfs/dbraw/zinc/39/84/88/339398488.db2.gz ZBNVVLAGRFVEIM-GUDVDZBRSA-N 1 3 310.526 3.680 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000479559682 339541219 /nfs/dbraw/zinc/54/12/19/339541219.db2.gz OSFXPSVQXGCULB-IXDOHACOSA-N 1 3 304.478 3.714 20 0 DHADHO CN(C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC000480258722 339565890 /nfs/dbraw/zinc/56/58/90/339565890.db2.gz GUMMCZPEESWIKW-OAQYLSRUSA-N 1 3 308.469 3.859 20 0 DHADHO CO[C@H](C)[C@H](C)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000480732681 339585224 /nfs/dbraw/zinc/58/52/24/339585224.db2.gz ZQYAXFKCJAIEQY-XLAORIBOSA-N 1 3 318.505 3.678 20 0 DHADHO CC[NH+](CC)CC1CCN(CCOc2ccccc2Cl)CC1 ZINC000488386720 339779181 /nfs/dbraw/zinc/77/91/81/339779181.db2.gz BCORFBPSIBMAHB-UHFFFAOYSA-N 1 3 324.896 3.773 20 0 DHADHO CC(C)CC[N@H+](CCCN1CCN(C(C)C)CC1)C1CCCC1 ZINC000501092482 340074168 /nfs/dbraw/zinc/07/41/68/340074168.db2.gz STTUXITWAMRAPV-UHFFFAOYSA-N 1 3 323.569 3.693 20 0 DHADHO CC(C)CC[N@@H+](CCCN1CCN(C(C)C)CC1)C1CCCC1 ZINC000501092482 340074169 /nfs/dbraw/zinc/07/41/69/340074169.db2.gz STTUXITWAMRAPV-UHFFFAOYSA-N 1 3 323.569 3.693 20 0 DHADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000516583890 340085710 /nfs/dbraw/zinc/08/57/10/340085710.db2.gz KZAFYZNWGCNCAL-PWRODBHTSA-N 1 3 308.469 3.872 20 0 DHADHO C[NH+](C)CCCC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000501769238 340088160 /nfs/dbraw/zinc/08/81/60/340088160.db2.gz HARYMSPSTBCHNX-LJQANCHMSA-N 1 3 304.453 3.867 20 0 DHADHO CCCC1CCC([N@H+](C)CCCN2CCN(C(C)C)CC2)CC1 ZINC000501874963 340090049 /nfs/dbraw/zinc/09/00/49/340090049.db2.gz JHYKMMFZXGAQBV-UHFFFAOYSA-N 1 3 323.569 3.693 20 0 DHADHO CCCC1CCC([N@@H+](C)CCCN2CCN(C(C)C)CC2)CC1 ZINC000501874963 340090050 /nfs/dbraw/zinc/09/00/50/340090050.db2.gz JHYKMMFZXGAQBV-UHFFFAOYSA-N 1 3 323.569 3.693 20 0 DHADHO CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@@H]1CCSC1 ZINC000506202311 340188492 /nfs/dbraw/zinc/18/84/92/340188492.db2.gz HQMYFGVAKIRMCR-QGZVFWFLSA-N 1 3 306.519 3.582 20 0 DHADHO CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCSC1 ZINC000506202311 340188493 /nfs/dbraw/zinc/18/84/93/340188493.db2.gz HQMYFGVAKIRMCR-QGZVFWFLSA-N 1 3 306.519 3.582 20 0 DHADHO CC(C)N1CCC([N@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000506343710 340192982 /nfs/dbraw/zinc/19/29/82/340192982.db2.gz XEZWXPSDMQPTBV-UHFFFAOYSA-N 1 3 316.489 3.705 20 0 DHADHO CC(C)N1CCC([N@@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000506343710 340192983 /nfs/dbraw/zinc/19/29/83/340192983.db2.gz XEZWXPSDMQPTBV-UHFFFAOYSA-N 1 3 316.489 3.705 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2sccc2OC)CC1 ZINC000506850592 340202626 /nfs/dbraw/zinc/20/26/26/340202626.db2.gz HBPODZNRGDGVDN-UHFFFAOYSA-N 1 3 310.507 3.701 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2sccc2OC)CC1 ZINC000506850592 340202627 /nfs/dbraw/zinc/20/26/27/340202627.db2.gz HBPODZNRGDGVDN-UHFFFAOYSA-N 1 3 310.507 3.701 20 0 DHADHO Fc1ccc(/C=C/CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000506872479 340203050 /nfs/dbraw/zinc/20/30/50/340203050.db2.gz BKQLUEKQJASYAO-ONEGZZNKSA-N 1 3 302.437 3.647 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000506866062 340203122 /nfs/dbraw/zinc/20/31/22/340203122.db2.gz HTQZNIMAGBOOES-MAUKXSAKSA-N 1 3 304.478 3.957 20 0 DHADHO CC[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)CC(F)(F)F ZINC000402621398 340248804 /nfs/dbraw/zinc/24/88/04/340248804.db2.gz VPSNAGXRVHJPJF-CYBMUJFWSA-N 1 3 315.383 3.619 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCCc4ccc(F)cc43)CC[C@@H]21 ZINC000510393958 340297876 /nfs/dbraw/zinc/29/78/76/340297876.db2.gz HMQFTGNEXNRDMU-AYOQOUSVSA-N 1 3 302.437 3.619 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN([C@@H]3CCCc4ccc(F)cc43)CC[C@@H]21 ZINC000510393958 340297877 /nfs/dbraw/zinc/29/78/77/340297877.db2.gz HMQFTGNEXNRDMU-AYOQOUSVSA-N 1 3 302.437 3.619 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccc(F)cc43)CC[C@@H]21 ZINC000510393958 340297878 /nfs/dbraw/zinc/29/78/78/340297878.db2.gz HMQFTGNEXNRDMU-AYOQOUSVSA-N 1 3 302.437 3.619 20 0 DHADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)CC[C@@H]21 ZINC000510393958 340297879 /nfs/dbraw/zinc/29/78/79/340297879.db2.gz HMQFTGNEXNRDMU-AYOQOUSVSA-N 1 3 302.437 3.619 20 0 DHADHO CCCN1CCC([N@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000510467059 340300411 /nfs/dbraw/zinc/30/04/11/340300411.db2.gz GAYXXWJJRBIDGC-UHFFFAOYSA-N 1 3 316.489 3.706 20 0 DHADHO CCCN1CCC([N@@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000510467059 340300412 /nfs/dbraw/zinc/30/04/12/340300412.db2.gz GAYXXWJJRBIDGC-UHFFFAOYSA-N 1 3 316.489 3.706 20 0 DHADHO Cc1ccc2c(CC[NH2+]C3CCN(C(C)(C)C)CC3)c[nH]c2c1 ZINC000513046086 340390597 /nfs/dbraw/zinc/39/05/97/340390597.db2.gz IZWLJPPWDQTWOI-UHFFFAOYSA-N 1 3 313.489 3.871 20 0 DHADHO CC(C)CC[C@](C)(O)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000513238247 340398987 /nfs/dbraw/zinc/39/89/87/340398987.db2.gz KQQVDVVAXPWOBM-HOJAQTOUSA-N 1 3 324.553 3.806 20 0 DHADHO CC(C)CC[C@](C)(O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000513238247 340398988 /nfs/dbraw/zinc/39/89/88/340398988.db2.gz KQQVDVVAXPWOBM-HOJAQTOUSA-N 1 3 324.553 3.806 20 0 DHADHO CC1(C)CCC[C@H]1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000529637773 340765947 /nfs/dbraw/zinc/76/59/47/340765947.db2.gz DPAWGMZRJAYYTE-INIZCTEOSA-N 1 3 301.478 3.856 20 0 DHADHO C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc(C[NH+](C)C)c1 ZINC000123734061 340794129 /nfs/dbraw/zinc/79/41/29/340794129.db2.gz NMQYYJJASNQYPR-XOBRGWDASA-N 1 3 312.432 3.910 20 0 DHADHO CC[NH+](CC)CCOCCN[C@@H](C)c1oc2ccccc2c1C ZINC000541742135 340981973 /nfs/dbraw/zinc/98/19/73/340981973.db2.gz ZRTVWNGYRPINOI-INIZCTEOSA-N 1 3 318.461 3.750 20 0 DHADHO CCC(CC)(CC)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000542949528 341027097 /nfs/dbraw/zinc/02/70/97/341027097.db2.gz FOZIWCHPHAXRBN-UHFFFAOYSA-N 1 3 323.569 3.693 20 0 DHADHO CCCC[C@@H](CC)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000545518513 341128267 /nfs/dbraw/zinc/12/82/67/341128267.db2.gz YCVUVZGVDPTHQM-LJQANCHMSA-N 1 3 323.569 3.552 20 0 DHADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000550260683 341313638 /nfs/dbraw/zinc/31/36/38/341313638.db2.gz JWMLXQSTNRWJLR-CQSZACIVSA-N 1 3 310.844 3.643 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc(OCc3ccccc3)c2)C1 ZINC000261551712 341353379 /nfs/dbraw/zinc/35/33/79/341353379.db2.gz QVZDHBSFGFVLJM-MOPGFXCFSA-N 1 3 310.441 3.625 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000246874357 341358114 /nfs/dbraw/zinc/35/81/14/341358114.db2.gz DQIYUTKUQWSUAG-OLZOCXBDSA-N 1 3 316.367 3.578 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248388475 341376275 /nfs/dbraw/zinc/37/62/75/341376275.db2.gz RDPOWRQFQJEUFX-HHXXYDBFSA-N 1 3 304.453 3.563 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248388475 341376276 /nfs/dbraw/zinc/37/62/76/341376276.db2.gz RDPOWRQFQJEUFX-HHXXYDBFSA-N 1 3 304.453 3.563 20 0 DHADHO C[NH+](C)CCCC1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000552344928 341388128 /nfs/dbraw/zinc/38/81/28/341388128.db2.gz IKWGCBWYRQZKJQ-XQRVVYSFSA-N 1 3 304.453 3.893 20 0 DHADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000249144407 341394699 /nfs/dbraw/zinc/39/46/99/341394699.db2.gz SRXFNZMLYHERSC-BMFZPTHFSA-N 1 3 314.395 3.652 20 0 DHADHO CCc1nc2ccccc2c(N2CC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000554538178 341456977 /nfs/dbraw/zinc/45/69/77/341456977.db2.gz QHEPQTGXHLXDJW-MRXNPFEDSA-N 1 3 309.457 3.780 20 0 DHADHO CC[NH+]1CCC(CN[C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000568747222 341680293 /nfs/dbraw/zinc/68/02/93/341680293.db2.gz GOVLQHCYFFSAST-IBGZPJMESA-N 1 3 320.452 3.607 20 0 DHADHO CC[NH+]1CCC(CCN[C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000572787742 341704235 /nfs/dbraw/zinc/70/42/35/341704235.db2.gz XSAVWKLSPNOHQM-GOSISDBHSA-N 1 3 318.509 3.743 20 0 DHADHO CC(C)[C@H](C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000177586411 341921583 /nfs/dbraw/zinc/92/15/83/341921583.db2.gz ONTBKVRHAMXTLJ-QGZVFWFLSA-N 1 3 317.521 3.599 20 0 DHADHO CC(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)cc1 ZINC000181921043 519733442 /nfs/dbraw/zinc/73/34/42/519733442.db2.gz LQFXPENJOQFSMV-HOTGVXAUSA-N 1 3 317.477 3.560 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2ccnn2C(C)C)CC1 ZINC000337203866 520588687 /nfs/dbraw/zinc/58/86/87/520588687.db2.gz IDUMUDCZIZRUHX-UHFFFAOYSA-N 1 3 320.525 3.798 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(SC(F)F)cc2)C1 ZINC000163302720 521717704 /nfs/dbraw/zinc/71/77/04/521717704.db2.gz QREQZBBBEZEYIW-QWHCGFSZSA-N 1 3 314.445 3.994 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000163308943 521717772 /nfs/dbraw/zinc/71/77/72/521717772.db2.gz DQIYUTKUQWSUAG-QWHCGFSZSA-N 1 3 316.367 3.578 20 0 DHADHO CN(C)Cc1cccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000129223083 521924366 /nfs/dbraw/zinc/92/43/66/521924366.db2.gz OSSFXGDTPVWWAF-HOTGVXAUSA-N 1 3 314.395 3.959 20 0 DHADHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293600 522866101 /nfs/dbraw/zinc/86/61/01/522866101.db2.gz ZDAHZBGNAUKGEW-CZUORRHYSA-N 1 3 312.404 3.671 20 0 DHADHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293600 522866107 /nfs/dbraw/zinc/86/61/07/522866107.db2.gz ZDAHZBGNAUKGEW-CZUORRHYSA-N 1 3 312.404 3.671 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293600 522866115 /nfs/dbraw/zinc/86/61/15/522866115.db2.gz ZDAHZBGNAUKGEW-CZUORRHYSA-N 1 3 312.404 3.671 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC000364897129 523349055 /nfs/dbraw/zinc/34/90/55/523349055.db2.gz RVMJQVZHTJLHSO-WOJBJXKFSA-N 1 3 316.489 3.542 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)CC1 ZINC000364897129 523349066 /nfs/dbraw/zinc/34/90/66/523349066.db2.gz RVMJQVZHTJLHSO-WOJBJXKFSA-N 1 3 316.489 3.542 20 0 DHADHO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(CC[C@H]2CCCO2)CC1 ZINC000364897129 523349077 /nfs/dbraw/zinc/34/90/77/523349077.db2.gz RVMJQVZHTJLHSO-WOJBJXKFSA-N 1 3 316.489 3.542 20 0 DHADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(CC[C@H]2CCCO2)CC1 ZINC000364897129 523349083 /nfs/dbraw/zinc/34/90/83/523349083.db2.gz RVMJQVZHTJLHSO-WOJBJXKFSA-N 1 3 316.489 3.542 20 0 DHADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000338389413 523848971 /nfs/dbraw/zinc/84/89/71/523848971.db2.gz RYMSUCVHGBZHLP-UONOGXRCSA-N 1 3 304.400 3.525 20 0 DHADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000338389413 523848981 /nfs/dbraw/zinc/84/89/81/523848981.db2.gz RYMSUCVHGBZHLP-UONOGXRCSA-N 1 3 304.400 3.525 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337340778 524105831 /nfs/dbraw/zinc/10/58/31/524105831.db2.gz PSJSPMZXRNUXAV-HBFSDRIKSA-N 1 3 315.505 3.962 20 0 DHADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000124186633 524912029 /nfs/dbraw/zinc/91/20/29/524912029.db2.gz IYQMUDGABDPQKQ-YALNPMBYSA-N 1 3 302.462 3.607 20 0 DHADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1cccnc1Cl ZINC000158171388 525337000 /nfs/dbraw/zinc/33/70/00/525337000.db2.gz NDAOOKBTFNNXRF-HNNXBMFYSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@@H](c1ccc(Br)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226326616 526037059 /nfs/dbraw/zinc/03/70/59/526037059.db2.gz UHAKKOHMKDIYPM-STQMWFEESA-N 1 3 311.267 3.571 20 0 DHADHO Cc1cncc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000363825993 526215426 /nfs/dbraw/zinc/21/54/26/526215426.db2.gz QAWMTEWASOHDJP-HBFSDRIKSA-N 1 3 323.484 3.951 20 0 DHADHO CC[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc(C)c1 ZINC000286109628 535803028 /nfs/dbraw/zinc/80/30/28/535803028.db2.gz NNRLSUZFYHLYIJ-LJQANCHMSA-N 1 3 316.489 3.681 20 0 DHADHO CCCOC1CCC([NH2+]CCCN2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001173089854 1033520111 /nfs/dbraw/zinc/52/01/11/1033520111.db2.gz AQPIDCWXSFYRFB-YXWAVELNSA-N 1 3 310.526 3.682 20 0 DHADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)C[C@@H]2C1 ZINC000425997448 1013056774 /nfs/dbraw/zinc/05/67/74/1013056774.db2.gz BVAKGNMCKHVFDV-OKILXGFUSA-N 1 3 316.832 3.593 20 0 DHADHO CN1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4Cl)o3)C[C@@H]2C1 ZINC000425997448 1013056792 /nfs/dbraw/zinc/05/67/92/1013056792.db2.gz BVAKGNMCKHVFDV-OKILXGFUSA-N 1 3 316.832 3.593 20 0 DHADHO CN(Cc1ccc(Oc2ccccc2)o1)CC1CC[NH+](C)CC1 ZINC000180429517 1013088347 /nfs/dbraw/zinc/08/83/47/1013088347.db2.gz VVGKEDXKKKPOTG-UHFFFAOYSA-N 1 3 314.429 3.846 20 0 DHADHO C[C@H](CCc1ccc(O)cc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000237488016 1032070071 /nfs/dbraw/zinc/07/00/71/1032070071.db2.gz VXEDUSFASRYRAK-SJORKVTESA-N 1 3 304.478 3.567 20 0 DHADHO CC(C)O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000638701003 1013318273 /nfs/dbraw/zinc/31/82/73/1013318273.db2.gz MHZMPKJALUYNHV-NXEWRWPSSA-N 1 3 316.489 3.758 20 0 DHADHO CC(C)O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000638701003 1013318281 /nfs/dbraw/zinc/31/82/81/1013318281.db2.gz MHZMPKJALUYNHV-NXEWRWPSSA-N 1 3 316.489 3.758 20 0 DHADHO CC1(C)CC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC(C)(C)O1 ZINC001167969234 1013371439 /nfs/dbraw/zinc/37/14/39/1013371439.db2.gz AOWWTVLHJDYQCR-ZNXRZULTSA-N 1 3 320.521 3.718 20 0 DHADHO CO[C@@H](CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1CCCC1 ZINC001167256305 1013453509 /nfs/dbraw/zinc/45/35/09/1013453509.db2.gz VWDCBDNDQDVNHE-ICSRJNTNSA-N 1 3 322.537 3.636 20 0 DHADHO CN(Cc1cc2c(cccc2O)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894748773 1013474584 /nfs/dbraw/zinc/47/45/84/1013474584.db2.gz RVVVPWAGVTXLQW-PBWFPOADSA-N 1 3 316.470 3.664 20 0 DHADHO CN(Cc1cc2c(cccc2O)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894748773 1013474591 /nfs/dbraw/zinc/47/45/91/1013474591.db2.gz RVVVPWAGVTXLQW-PBWFPOADSA-N 1 3 316.470 3.664 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cc2ccnc(Cl)c2s1 ZINC000894782595 1013489655 /nfs/dbraw/zinc/48/96/55/1013489655.db2.gz MGIHXSHMNQKTPF-BXUZGUMPSA-N 1 3 323.893 3.722 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc2ccnc(Cl)c2s1 ZINC000894782595 1013489659 /nfs/dbraw/zinc/48/96/59/1013489659.db2.gz MGIHXSHMNQKTPF-BXUZGUMPSA-N 1 3 323.893 3.722 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000280798663 1013721379 /nfs/dbraw/zinc/72/13/79/1013721379.db2.gz IGLVXHLRDLDEEK-APWZRJJASA-N 1 3 301.478 3.633 20 0 DHADHO Cc1ccc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000683689967 1013857883 /nfs/dbraw/zinc/85/78/83/1013857883.db2.gz VPQADTGCHYKYJK-ACDBMABISA-N 1 3 324.468 3.916 20 0 DHADHO Cc1ccc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000683689967 1013857887 /nfs/dbraw/zinc/85/78/87/1013857887.db2.gz VPQADTGCHYKYJK-ACDBMABISA-N 1 3 324.468 3.916 20 0 DHADHO [NH3+]Cc1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000580075521 1014016778 /nfs/dbraw/zinc/01/67/78/1014016778.db2.gz GNITYYDWGNUWJO-INIZCTEOSA-N 1 3 302.418 3.611 20 0 DHADHO C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312782927 1014086188 /nfs/dbraw/zinc/08/61/88/1014086188.db2.gz HXPSIYRJGVXWGD-BNOWGMLFSA-N 1 3 313.272 3.986 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC000683926630 1014116503 /nfs/dbraw/zinc/11/65/03/1014116503.db2.gz CXIUMJDTLWYTSN-UHFFFAOYSA-N 1 3 307.441 3.909 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC000683926630 1014116509 /nfs/dbraw/zinc/11/65/09/1014116509.db2.gz CXIUMJDTLWYTSN-UHFFFAOYSA-N 1 3 307.441 3.909 20 0 DHADHO COCCC1(C[NH2+]C[C@H]2CCCN(C(C)C)C2)CCCCC1 ZINC000189150572 1014162875 /nfs/dbraw/zinc/16/28/75/1014162875.db2.gz YNEDXADVXIDXOL-GOSISDBHSA-N 1 3 310.526 3.683 20 0 DHADHO COCCC1(C[NH2+]C[C@@H]2CCCN(C(C)C)C2)CCCCC1 ZINC000189150600 1014163911 /nfs/dbraw/zinc/16/39/11/1014163911.db2.gz YNEDXADVXIDXOL-SFHVURJKSA-N 1 3 310.526 3.683 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1nsc2ccccc12 ZINC000665275014 1014637811 /nfs/dbraw/zinc/63/78/11/1014637811.db2.gz ASDYTWGHGLYGOW-CABCVRRESA-N 1 3 317.502 3.739 20 0 DHADHO Clc1cccc([C@@H]2CCC[C@H]([NH2+]CC34CC(C3)CN4)C2)c1 ZINC000665279422 1014665579 /nfs/dbraw/zinc/66/55/79/1014665579.db2.gz BYGXLUNXLRBNJA-MOFQQNDTSA-N 1 3 304.865 3.708 20 0 DHADHO C=Cn1cc(CN2CCC(CC[N@@H+](CC)CC(C)C)CC2)cn1 ZINC000349405488 1014779100 /nfs/dbraw/zinc/77/91/00/1014779100.db2.gz JKLQVZZEFNQTIA-UHFFFAOYSA-N 1 3 318.509 3.564 20 0 DHADHO C=Cn1cc(CN2CCC(CC[N@H+](CC)CC(C)C)CC2)cn1 ZINC000349405488 1014779112 /nfs/dbraw/zinc/77/91/12/1014779112.db2.gz JKLQVZZEFNQTIA-UHFFFAOYSA-N 1 3 318.509 3.564 20 0 DHADHO CCOC[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(C)C ZINC000474087541 1014991114 /nfs/dbraw/zinc/99/11/14/1014991114.db2.gz GVERNENUIXMUBL-NEWSRXKRSA-N 1 3 310.526 3.680 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000033829384 1015151800 /nfs/dbraw/zinc/15/18/00/1015151800.db2.gz KGINNJCVISGZNG-FPOVZHCZSA-N 1 3 308.469 3.926 20 0 DHADHO CC(C)Cc1ncc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656786118 1015157291 /nfs/dbraw/zinc/15/72/91/1015157291.db2.gz KRMDJTFUFAOTGV-MRXNPFEDSA-N 1 3 321.534 3.553 20 0 DHADHO CN1CCCC[C@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000895587065 1015213323 /nfs/dbraw/zinc/21/33/23/1015213323.db2.gz GXSGQKQYKBZTHP-VQCLRJIVSA-N 1 3 308.416 3.532 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCN(C)C(C)C)cc1OC ZINC000474463716 1015380489 /nfs/dbraw/zinc/38/04/89/1015380489.db2.gz FZNAKTPYZKQONN-CVEARBPZSA-N 1 3 322.493 3.516 20 0 DHADHO Cc1cccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000130682135 1015468121 /nfs/dbraw/zinc/46/81/21/1015468121.db2.gz VGEPFJYOTQASBB-UHFFFAOYSA-N 1 3 300.490 3.924 20 0 DHADHO Cc1cccc(CCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000130682135 1015468128 /nfs/dbraw/zinc/46/81/28/1015468128.db2.gz VGEPFJYOTQASBB-UHFFFAOYSA-N 1 3 300.490 3.924 20 0 DHADHO CC[NH+](CC)CCCN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000276834568 1015695511 /nfs/dbraw/zinc/69/55/11/1015695511.db2.gz BNXIOYOLCAXXND-RBUKOAKNSA-N 1 3 322.468 3.710 20 0 DHADHO CCN(CC)CCC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000276834568 1015695515 /nfs/dbraw/zinc/69/55/15/1015695515.db2.gz BNXIOYOLCAXXND-RBUKOAKNSA-N 1 3 322.468 3.710 20 0 DHADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000276834568 1015695521 /nfs/dbraw/zinc/69/55/21/1015695521.db2.gz BNXIOYOLCAXXND-RBUKOAKNSA-N 1 3 322.468 3.710 20 0 DHADHO CCC[N@H+](C)C[C@H]1CCN(CC[C@H](C)OCc2ccccc2)C1 ZINC000475040107 1015792889 /nfs/dbraw/zinc/79/28/89/1015792889.db2.gz USKNZKCJPZBECP-AZUAARDMSA-N 1 3 318.505 3.646 20 0 DHADHO CCC[N@@H+](C)C[C@H]1CCN(CC[C@H](C)OCc2ccccc2)C1 ZINC000475040107 1015792896 /nfs/dbraw/zinc/79/28/96/1015792896.db2.gz USKNZKCJPZBECP-AZUAARDMSA-N 1 3 318.505 3.646 20 0 DHADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346666504 1016500915 /nfs/dbraw/zinc/50/09/15/1016500915.db2.gz YKFYBSVQBFXDDZ-GXTWGEPZSA-N 1 3 304.434 3.723 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(-c4ccccc4F)o3)C[C@@H]21 ZINC000346819738 1016564425 /nfs/dbraw/zinc/56/44/25/1016564425.db2.gz DYRQAHVAQHWULD-RPVQJOFSSA-N 1 3 314.404 3.645 20 0 DHADHO C[NH+](C)CC(C)(C)CN1CCC(Cc2ccc(F)cc2F)CC1 ZINC001207288866 1016643841 /nfs/dbraw/zinc/64/38/41/1016643841.db2.gz WRVBSLQERKDGTC-UHFFFAOYSA-N 1 3 324.459 3.807 20 0 DHADHO CC[NH2+]CC1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000347032491 1016700370 /nfs/dbraw/zinc/70/03/70/1016700370.db2.gz ABVXOFQTWDBVEZ-UHFFFAOYSA-N 1 3 317.864 3.710 20 0 DHADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339068214 1016790348 /nfs/dbraw/zinc/79/03/48/1016790348.db2.gz MRWHOCCYYCXNNG-GSEOLPGOSA-N 1 3 316.489 3.617 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339068214 1016790357 /nfs/dbraw/zinc/79/03/57/1016790357.db2.gz MRWHOCCYYCXNNG-GSEOLPGOSA-N 1 3 316.489 3.617 20 0 DHADHO COc1ccc([C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000623343268 1016973661 /nfs/dbraw/zinc/97/36/61/1016973661.db2.gz JKWWAYMXXUWMKV-WMZOPIPTSA-N 1 3 304.478 3.855 20 0 DHADHO COc1ccc([C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000623343268 1016973668 /nfs/dbraw/zinc/97/36/68/1016973668.db2.gz JKWWAYMXXUWMKV-WMZOPIPTSA-N 1 3 304.478 3.855 20 0 DHADHO CC[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623440400 1017048265 /nfs/dbraw/zinc/04/82/65/1017048265.db2.gz ULNWOBNCAWUWHB-LSDHHAIUSA-N 1 3 324.896 3.960 20 0 DHADHO CC[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623440400 1017048268 /nfs/dbraw/zinc/04/82/68/1017048268.db2.gz ULNWOBNCAWUWHB-LSDHHAIUSA-N 1 3 324.896 3.960 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccc(Cl)cc1 ZINC000623435719 1017048476 /nfs/dbraw/zinc/04/84/76/1017048476.db2.gz PWQWPJMAPXILJN-UKRRQHHQSA-N 1 3 310.869 3.570 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccc(Cl)cc1 ZINC000623435719 1017048482 /nfs/dbraw/zinc/04/84/82/1017048482.db2.gz PWQWPJMAPXILJN-UKRRQHHQSA-N 1 3 310.869 3.570 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@@H]2N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623437801 1017056609 /nfs/dbraw/zinc/05/66/09/1017056609.db2.gz ZQVGNHMXGKUIMJ-QYZOEREBSA-N 1 3 316.489 3.678 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@@H]2N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623437801 1017056621 /nfs/dbraw/zinc/05/66/21/1017056621.db2.gz ZQVGNHMXGKUIMJ-QYZOEREBSA-N 1 3 316.489 3.678 20 0 DHADHO C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+](C)C1CCNCC1 ZINC001246692369 1032200495 /nfs/dbraw/zinc/20/04/95/1032200495.db2.gz FYTRLZKJZREXIM-LLVKDONJSA-N 1 3 301.261 3.608 20 0 DHADHO C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+](C)C1CCNCC1 ZINC001246692369 1032200503 /nfs/dbraw/zinc/20/05/03/1032200503.db2.gz FYTRLZKJZREXIM-LLVKDONJSA-N 1 3 301.261 3.608 20 0 DHADHO CC(C)COc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000121212854 1032429344 /nfs/dbraw/zinc/42/93/44/1032429344.db2.gz GTILOLXTCHHOQS-DLBZAZTESA-N 1 3 304.478 3.714 20 0 DHADHO CC(C)COc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000121212854 1032429351 /nfs/dbraw/zinc/42/93/51/1032429351.db2.gz GTILOLXTCHHOQS-DLBZAZTESA-N 1 3 304.478 3.714 20 0 DHADHO CCSCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000612879915 1032474590 /nfs/dbraw/zinc/47/45/90/1032474590.db2.gz BRFZYENWKRQPIC-CEXWTWQISA-N 1 3 318.530 3.630 20 0 DHADHO Cc1cccc([C@@H](C)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000122400421 1032540705 /nfs/dbraw/zinc/54/07/05/1032540705.db2.gz TWUWJVHCZAUMND-QGZVFWFLSA-N 1 3 312.457 3.786 20 0 DHADHO COc1cccc(-c2ccc(CN[C@H]3CC[N@H+](C)C[C@H]3C)cc2)c1 ZINC000122549011 1032556535 /nfs/dbraw/zinc/55/65/35/1032556535.db2.gz YWHMAWYHHNFNHH-IERDGZPVSA-N 1 3 324.468 3.792 20 0 DHADHO COc1cccc(-c2ccc(CN[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)c1 ZINC000122549011 1032556537 /nfs/dbraw/zinc/55/65/37/1032556537.db2.gz YWHMAWYHHNFNHH-IERDGZPVSA-N 1 3 324.468 3.792 20 0 DHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000122971422 1032593425 /nfs/dbraw/zinc/59/34/25/1032593425.db2.gz HNVCANRAIBWRHK-AWEZNQCLSA-N 1 3 308.441 3.749 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(OC(F)(F)F)cc1 ZINC000424335822 1011986183 /nfs/dbraw/zinc/98/61/83/1011986183.db2.gz PIBIWTGYHRHZBE-ZLKJLUDKSA-N 1 3 302.340 3.506 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(F)c(Br)c1 ZINC000424377831 1012012057 /nfs/dbraw/zinc/01/20/57/1012012057.db2.gz RXUQBJYJQUIJEB-OWYVNGRQSA-N 1 3 315.230 3.509 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(SCC(F)F)cc1 ZINC000424372908 1012015020 /nfs/dbraw/zinc/01/50/20/1012015020.db2.gz IUUKSMLYUDELLQ-KCPJHIHWSA-N 1 3 314.445 3.964 20 0 DHADHO CCN(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208618008 1012480647 /nfs/dbraw/zinc/48/06/47/1012480647.db2.gz PYWWNWMXCRVPNP-HNNXBMFYSA-N 1 3 314.395 3.869 20 0 DHADHO CCN(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208618008 1012480668 /nfs/dbraw/zinc/48/06/68/1012480668.db2.gz PYWWNWMXCRVPNP-HNNXBMFYSA-N 1 3 314.395 3.869 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(C(F)(F)F)cc1 ZINC000515417510 1012622455 /nfs/dbraw/zinc/62/24/55/1012622455.db2.gz WURYOGZKIIGNRP-WFASDCNBSA-N 1 3 300.368 3.840 20 0 DHADHO [NH3+]C[C@H]1CC[C@H](NCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000666962208 1032669821 /nfs/dbraw/zinc/66/98/21/1032669821.db2.gz LLZZBLOJONHTJA-IUCAKERBSA-N 1 3 307.652 3.864 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)c2ccccc12 ZINC000425939860 1012982154 /nfs/dbraw/zinc/98/21/54/1012982154.db2.gz FALVZNGQNMMKBZ-HUUCEWRRSA-N 1 3 300.446 3.697 20 0 DHADHO COc1ccc([C@@H](C)NC[C@@H](C)C[NH+](C)C)c2ccccc12 ZINC000425939860 1012982166 /nfs/dbraw/zinc/98/21/66/1012982166.db2.gz FALVZNGQNMMKBZ-HUUCEWRRSA-N 1 3 300.446 3.697 20 0 DHADHO C[C@H]1C[C@@H](CC[NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC000366682683 1012983506 /nfs/dbraw/zinc/98/35/06/1012983506.db2.gz TZIIDPAQIVKHIP-ROUUACIJSA-N 1 3 322.537 3.826 20 0 DHADHO CCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000537696374 1032675630 /nfs/dbraw/zinc/67/56/30/1032675630.db2.gz HGUBBTLHNYKIQD-KBXCAEBGSA-N 1 3 304.503 3.759 20 0 DHADHO CCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000537696374 1032675639 /nfs/dbraw/zinc/67/56/39/1032675639.db2.gz HGUBBTLHNYKIQD-KBXCAEBGSA-N 1 3 304.503 3.759 20 0 DHADHO CC[NH+](CC)[C@@H](CNc1ccnc2ccccc21)c1ccco1 ZINC000517651256 1013037270 /nfs/dbraw/zinc/03/72/70/1013037270.db2.gz AZDVOYRHWXPRTN-SFHVURJKSA-N 1 3 309.413 3.745 20 0 DHADHO C[NH+](C)Cc1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000342743418 1017144432 /nfs/dbraw/zinc/14/44/32/1017144432.db2.gz UNANFQQVOZTSAT-IBGZPJMESA-N 1 3 313.420 3.523 20 0 DHADHO C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccn1 ZINC000657536115 1017222399 /nfs/dbraw/zinc/22/23/99/1017222399.db2.gz TWLIIMOCCSCOPD-INIZCTEOSA-N 1 3 301.478 3.572 20 0 DHADHO CC[C@H](COCC1CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000657560680 1017388303 /nfs/dbraw/zinc/38/83/03/1017388303.db2.gz CACWHYILHUAGFM-QGZVFWFLSA-N 1 3 308.510 3.578 20 0 DHADHO CC[C@H](COCC1CC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000657560680 1017388320 /nfs/dbraw/zinc/38/83/20/1017388320.db2.gz CACWHYILHUAGFM-QGZVFWFLSA-N 1 3 308.510 3.578 20 0 DHADHO FC1(F)C[C@H]1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716635413 1032699474 /nfs/dbraw/zinc/69/94/74/1032699474.db2.gz FSLJDPPWNJMEBJ-MHORFTMASA-N 1 3 320.427 3.674 20 0 DHADHO COc1ccc([C@@H](C)CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000180470575 1017451691 /nfs/dbraw/zinc/45/16/91/1017451691.db2.gz YELHUESBWIOLEO-ZWKOTPCHSA-N 1 3 316.489 3.607 20 0 DHADHO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1cccc(Cl)c1 ZINC000173374980 1032703777 /nfs/dbraw/zinc/70/37/77/1032703777.db2.gz LYUFTZWFSOMURS-SFHVURJKSA-N 1 3 324.896 3.882 20 0 DHADHO CC[C@@H](CSC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716684819 1032704150 /nfs/dbraw/zinc/70/41/50/1032704150.db2.gz VVWAIGTVHNHQRK-VJANTYMQSA-N 1 3 318.530 3.771 20 0 DHADHO Cc1cc(C)cc([C@H]2CCN(CCC[NH+]3CCCCC3)C2)c1 ZINC000444604227 1017587491 /nfs/dbraw/zinc/58/74/91/1017587491.db2.gz APGRBGJQGVQPIZ-IBGZPJMESA-N 1 3 300.490 3.969 20 0 DHADHO NCCC[N@H+](C1CCCCC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171453060 1032711348 /nfs/dbraw/zinc/71/13/48/1032711348.db2.gz LKWJSWHGHJWFLH-KRWDZBQOSA-N 1 3 322.443 3.806 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171453060 1032711356 /nfs/dbraw/zinc/71/13/56/1032711356.db2.gz LKWJSWHGHJWFLH-KRWDZBQOSA-N 1 3 322.443 3.806 20 0 DHADHO CN1CCCC[C@H](C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000624122445 1017694379 /nfs/dbraw/zinc/69/43/79/1017694379.db2.gz RJKRAMBSNADBHO-MXWWQKGMSA-N 1 3 306.881 3.908 20 0 DHADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123657 1017696628 /nfs/dbraw/zinc/69/66/28/1017696628.db2.gz PVZWJYUNSFAXFS-LSDHHAIUSA-N 1 3 310.432 3.607 20 0 DHADHO C[C@]1(CC[NH2+]C2CCN(C3CCCCC3)CC2)CC1(F)F ZINC000657670814 1017731535 /nfs/dbraw/zinc/73/15/35/1017731535.db2.gz PNHADWOHPYUGGC-INIZCTEOSA-N 1 3 300.437 3.809 20 0 DHADHO Clc1ccccc1C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000090940948 1017832680 /nfs/dbraw/zinc/83/26/80/1017832680.db2.gz ZBECKDXVPOCZMO-LSDHHAIUSA-N 1 3 304.865 3.588 20 0 DHADHO Clc1ccccc1C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090940948 1017832710 /nfs/dbraw/zinc/83/27/10/1017832710.db2.gz ZBECKDXVPOCZMO-LSDHHAIUSA-N 1 3 304.865 3.588 20 0 DHADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000122842500 1018023151 /nfs/dbraw/zinc/02/31/51/1018023151.db2.gz SSGJRHKZQNUFCS-INIZCTEOSA-N 1 3 316.489 3.710 20 0 DHADHO C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000524752594 1018077366 /nfs/dbraw/zinc/07/73/66/1018077366.db2.gz MWISAKYUGASPTP-IBGZPJMESA-N 1 3 312.432 3.780 20 0 DHADHO C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000524752594 1018077379 /nfs/dbraw/zinc/07/73/79/1018077379.db2.gz MWISAKYUGASPTP-IBGZPJMESA-N 1 3 312.432 3.780 20 0 DHADHO COc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000380189334 1018133117 /nfs/dbraw/zinc/13/31/17/1018133117.db2.gz PRBCISHLEJVLFJ-PXNSSMCTSA-N 1 3 324.468 3.695 20 0 DHADHO CCCC[C@@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166863 1018195428 /nfs/dbraw/zinc/19/54/28/1018195428.db2.gz QGSBEBVZQSCMJH-LJQANCHMSA-N 1 3 303.494 3.852 20 0 DHADHO CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000446759527 1018245698 /nfs/dbraw/zinc/24/56/98/1018245698.db2.gz GKEXWDOCBKEWHR-AZUAARDMSA-N 1 3 318.505 3.549 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000566480971 1018265433 /nfs/dbraw/zinc/26/54/33/1018265433.db2.gz CWZQYSDZQGKIQK-HUUCEWRRSA-N 1 3 312.379 3.944 20 0 DHADHO CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000446931968 1018296288 /nfs/dbraw/zinc/29/62/88/1018296288.db2.gz GFQLQOXUKDOIAQ-ZCNNSNEGSA-N 1 3 318.505 3.690 20 0 DHADHO Fc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000383611162 1018421916 /nfs/dbraw/zinc/42/19/16/1018421916.db2.gz SQNJLVVSVSQWQV-PMACEKPBSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000383611162 1018421937 /nfs/dbraw/zinc/42/19/37/1018421937.db2.gz SQNJLVVSVSQWQV-PMACEKPBSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000383611163 1018422680 /nfs/dbraw/zinc/42/26/80/1018422680.db2.gz SQNJLVVSVSQWQV-UXHICEINSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000383611163 1018422687 /nfs/dbraw/zinc/42/26/87/1018422687.db2.gz SQNJLVVSVSQWQV-UXHICEINSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1ccccc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000383652146 1018424193 /nfs/dbraw/zinc/42/41/93/1018424193.db2.gz JNSIBYUEWRHXAF-ICSRJNTNSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1ccccc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000383652146 1018424194 /nfs/dbraw/zinc/42/41/94/1018424194.db2.gz JNSIBYUEWRHXAF-ICSRJNTNSA-N 1 3 324.443 3.780 20 0 DHADHO CCN1CCC[C@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000447822607 1018478720 /nfs/dbraw/zinc/47/87/20/1018478720.db2.gz QQRAONBZPLQQLG-CQSZACIVSA-N 1 3 312.860 3.733 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccccc1OCc1ccccc1 ZINC000635005227 1018509239 /nfs/dbraw/zinc/50/92/39/1018509239.db2.gz SRSXDDAPVQEMHR-DLBZAZTESA-N 1 3 312.457 3.524 20 0 DHADHO CC[C@H](OCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000650710528 1018534274 /nfs/dbraw/zinc/53/42/74/1018534274.db2.gz QSNIHGKPJAGYNA-YRPNKDGESA-N 1 3 316.489 3.665 20 0 DHADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)C1(O)CCCC1 ZINC000449741265 1018608962 /nfs/dbraw/zinc/60/89/62/1018608962.db2.gz SZTDUGNDGBXLKJ-UHFFFAOYSA-N 1 3 322.537 3.704 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1nccc2ccccc21 ZINC000650755933 1018682211 /nfs/dbraw/zinc/68/22/11/1018682211.db2.gz PPXVIXQAEPCPGN-HNNXBMFYSA-N 1 3 305.425 3.805 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cnc2ccsc2c1 ZINC000650758603 1018693494 /nfs/dbraw/zinc/69/34/94/1018693494.db2.gz SXIJVEAHNQODRI-CYBMUJFWSA-N 1 3 311.454 3.867 20 0 DHADHO Clc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000676712478 1018814050 /nfs/dbraw/zinc/81/40/50/1018814050.db2.gz HVZOUFKXNKNPDH-YJBOKZPZSA-N 1 3 304.865 3.789 20 0 DHADHO Clc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000676712478 1018814068 /nfs/dbraw/zinc/81/40/68/1018814068.db2.gz HVZOUFKXNKNPDH-YJBOKZPZSA-N 1 3 304.865 3.789 20 0 DHADHO C[NH+]1C(C)(C)CC(N2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1(C)C ZINC001171631443 1032795411 /nfs/dbraw/zinc/79/54/11/1032795411.db2.gz IPPLJYFXAINAOE-DGCLKSJQSA-N 1 3 324.406 3.718 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1(C)C ZINC001171631443 1032795426 /nfs/dbraw/zinc/79/54/26/1032795426.db2.gz IPPLJYFXAINAOE-DGCLKSJQSA-N 1 3 324.406 3.718 20 0 DHADHO CN1C(C)(C)CC([N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1(C)C ZINC001171631443 1032795444 /nfs/dbraw/zinc/79/54/44/1032795444.db2.gz IPPLJYFXAINAOE-DGCLKSJQSA-N 1 3 324.406 3.718 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@H]2CC[C@H](C(C)(C)O)CC2)CC1(C)C ZINC001171622232 1032803065 /nfs/dbraw/zinc/80/30/65/1032803065.db2.gz XYMGDPYAPLWZNS-SHTZXODSSA-N 1 3 310.526 3.557 20 0 DHADHO CN1C(C)(C)CC([NH2+]C2(C)Cc3ccccc3C2)CC1(C)C ZINC001171626090 1032805368 /nfs/dbraw/zinc/80/53/68/1032805368.db2.gz VLWFNDPMRUZGNR-UHFFFAOYSA-N 1 3 300.490 3.785 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@@H]2CCc3ccc(F)cc3C2)CC1(C)C ZINC001171626802 1032810043 /nfs/dbraw/zinc/81/00/43/1032810043.db2.gz BPADFLZDUVOQSL-QGZVFWFLSA-N 1 3 318.480 3.924 20 0 DHADHO CN1C(C)(C)CC([NH2+]CC(C)(C)Cc2ccccn2)CC1(C)C ZINC001171626859 1032810187 /nfs/dbraw/zinc/81/01/87/1032810187.db2.gz DQIANNKNPNKIDB-UHFFFAOYSA-N 1 3 317.521 3.891 20 0 DHADHO COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)c(C)c1OC ZINC000347679338 1019288620 /nfs/dbraw/zinc/28/86/20/1019288620.db2.gz NLOMGNBZXQYJCY-JKSUJKDBSA-N 1 3 320.477 3.537 20 0 DHADHO COc1ccc(-c2ccc(CN[C@H]3CC[N@H+](C)C[C@H]3C)cc2)cc1 ZINC000090115113 1019400187 /nfs/dbraw/zinc/40/01/87/1019400187.db2.gz PUHSVSCOZDAJAA-IERDGZPVSA-N 1 3 324.468 3.792 20 0 DHADHO COc1ccc(-c2ccc(CN[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)cc1 ZINC000090115113 1019400198 /nfs/dbraw/zinc/40/01/98/1019400198.db2.gz PUHSVSCOZDAJAA-IERDGZPVSA-N 1 3 324.468 3.792 20 0 DHADHO COc1cccc(CCN(C)C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171640015 1032836540 /nfs/dbraw/zinc/83/65/40/1032836540.db2.gz ZDMQSBVNEVLHIX-UHFFFAOYSA-N 1 3 318.505 3.821 20 0 DHADHO C[NH+]1C(C)(C)CC(N2CCC[C@@H]2c2ccccn2)CC1(C)C ZINC001171638152 1032836992 /nfs/dbraw/zinc/83/69/92/1032836992.db2.gz UNRGCWMILUWJIU-QGZVFWFLSA-N 1 3 301.478 3.870 20 0 DHADHO CC(C)(C)c1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166141237 1019774737 /nfs/dbraw/zinc/77/47/37/1019774737.db2.gz MQYKFQMCORVXGA-RTBURBONSA-N 1 3 300.490 3.743 20 0 DHADHO CC(C)(C)c1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166141237 1019774752 /nfs/dbraw/zinc/77/47/52/1019774752.db2.gz MQYKFQMCORVXGA-RTBURBONSA-N 1 3 300.490 3.743 20 0 DHADHO C[C@@H]([NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1cccc(O)c1 ZINC000685429103 1019818657 /nfs/dbraw/zinc/81/86/57/1019818657.db2.gz DTDJXOCQCRQDKB-HLIPFELVSA-N 1 3 324.468 3.953 20 0 DHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC000708563981 1019882440 /nfs/dbraw/zinc/88/24/40/1019882440.db2.gz RBKIUFGFGQXFFC-XLIONFOSSA-N 1 3 300.490 3.924 20 0 DHADHO C[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccccn1 ZINC000658061815 1020112491 /nfs/dbraw/zinc/11/24/91/1020112491.db2.gz CUQPPQQYMLBQBP-LMMKCTJWSA-N 1 3 315.505 3.818 20 0 DHADHO CC[C@H](COCC1CC1)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000658091003 1020134386 /nfs/dbraw/zinc/13/43/86/1020134386.db2.gz OGQFKLZZHITHHG-ILZDJORESA-N 1 3 322.537 3.824 20 0 DHADHO c1cc(CN2CCC(C[NH2+][C@H]3CCCC34CCC4)CC2)ccn1 ZINC000658162503 1020195120 /nfs/dbraw/zinc/19/51/20/1020195120.db2.gz DOCJAVIADXBJLI-IBGZPJMESA-N 1 3 313.489 3.606 20 0 DHADHO C[C@H]1CCCCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165214 1020197567 /nfs/dbraw/zinc/19/75/67/1020197567.db2.gz QGXWFEHCHLQZLL-FXAWDEMLSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000658281175 1020274606 /nfs/dbraw/zinc/27/46/06/1020274606.db2.gz NMNXJMWTSHMEGS-USXIJHARSA-N 1 3 322.443 3.778 20 0 DHADHO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000658280993 1020275319 /nfs/dbraw/zinc/27/53/19/1020275319.db2.gz NMNXJMWTSHMEGS-UAGQMJEPSA-N 1 3 322.443 3.778 20 0 DHADHO CCC[C@H](C)CCCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000625117057 1020378404 /nfs/dbraw/zinc/37/84/04/1020378404.db2.gz DFLIZPVNVHTGOG-SLFFLAALSA-N 1 3 323.569 3.693 20 0 DHADHO CCC[C@H](C)CCCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000625117057 1020378415 /nfs/dbraw/zinc/37/84/15/1020378415.db2.gz DFLIZPVNVHTGOG-SLFFLAALSA-N 1 3 323.569 3.693 20 0 DHADHO Cc1cc([C@@H](C)NCc2ccc(F)c(CN(C)C)c2)oc1C ZINC000282289237 1020429348 /nfs/dbraw/zinc/42/93/48/1020429348.db2.gz SBFCWMQYRKDRIA-CYBMUJFWSA-N 1 3 304.409 3.948 20 0 DHADHO Cc1cc([C@@H](C)NCc2ccc(F)c(C[NH+](C)C)c2)oc1C ZINC000282289237 1020429354 /nfs/dbraw/zinc/42/93/54/1020429354.db2.gz SBFCWMQYRKDRIA-CYBMUJFWSA-N 1 3 304.409 3.948 20 0 DHADHO Cc1cc([C@@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)oc1C ZINC000282289237 1020429358 /nfs/dbraw/zinc/42/93/58/1020429358.db2.gz SBFCWMQYRKDRIA-CYBMUJFWSA-N 1 3 304.409 3.948 20 0 DHADHO Fc1cccc(Cl)c1CCC[N@H+](C1CC1)C1CCNCC1 ZINC000647482632 1020592462 /nfs/dbraw/zinc/59/24/62/1020592462.db2.gz VAYMREGOVSZLQV-UHFFFAOYSA-N 1 3 310.844 3.628 20 0 DHADHO Fc1cccc(Cl)c1CCC[N@@H+](C1CC1)C1CCNCC1 ZINC000647482632 1020592470 /nfs/dbraw/zinc/59/24/70/1020592470.db2.gz VAYMREGOVSZLQV-UHFFFAOYSA-N 1 3 310.844 3.628 20 0 DHADHO Fc1cccc(Cl)c1CCCN(C1CC1)C1CC[NH2+]CC1 ZINC000647482632 1020592478 /nfs/dbraw/zinc/59/24/78/1020592478.db2.gz VAYMREGOVSZLQV-UHFFFAOYSA-N 1 3 310.844 3.628 20 0 DHADHO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1C ZINC000858491160 1032918410 /nfs/dbraw/zinc/91/84/10/1032918410.db2.gz ZHEIHAHYMAMUJC-SJORKVTESA-N 1 3 304.478 3.695 20 0 DHADHO C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000261916845 1020901271 /nfs/dbraw/zinc/90/12/71/1020901271.db2.gz HCYMMGBEWBSLMY-OBJOEFQTSA-N 1 3 316.367 3.705 20 0 DHADHO CC(C)(C)O[C@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000414123887 1020915203 /nfs/dbraw/zinc/91/52/03/1020915203.db2.gz BRUHCRNSZXMHGO-BACDZXNISA-N 1 3 308.510 3.575 20 0 DHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCC[C@H]1F ZINC000414297085 1021069213 /nfs/dbraw/zinc/06/92/13/1021069213.db2.gz YGGOBKRSIFKUKP-WZGPROSRSA-N 1 3 304.453 3.767 20 0 DHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCC[C@H]1F ZINC000414297085 1021069221 /nfs/dbraw/zinc/06/92/21/1021069221.db2.gz YGGOBKRSIFKUKP-WZGPROSRSA-N 1 3 304.453 3.767 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC(N(C)C)CC1 ZINC001171971588 1032957731 /nfs/dbraw/zinc/95/77/31/1032957731.db2.gz WRJDCSRAJKCHBK-CYBMUJFWSA-N 1 3 314.395 3.662 20 0 DHADHO Cc1noc(C)c1CCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000166121126 1021386032 /nfs/dbraw/zinc/38/60/32/1021386032.db2.gz MYAWHNQSOFKEJV-UHFFFAOYSA-N 1 3 319.493 3.611 20 0 DHADHO Cc1noc(C)c1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000166121126 1021386042 /nfs/dbraw/zinc/38/60/42/1021386042.db2.gz MYAWHNQSOFKEJV-UHFFFAOYSA-N 1 3 319.493 3.611 20 0 DHADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123223 1021557461 /nfs/dbraw/zinc/55/74/61/1021557461.db2.gz IFEYKCDUHCIXNB-ZIAGYGMSSA-N 1 3 312.860 3.732 20 0 DHADHO Cc1ncsc1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000093844592 1021688343 /nfs/dbraw/zinc/68/83/43/1021688343.db2.gz JYEVCPVGGPRPIO-HNNXBMFYSA-N 1 3 321.534 3.928 20 0 DHADHO Cc1ncsc1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000093844592 1021688349 /nfs/dbraw/zinc/68/83/49/1021688349.db2.gz JYEVCPVGGPRPIO-HNNXBMFYSA-N 1 3 321.534 3.928 20 0 DHADHO CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000556589032 1021779983 /nfs/dbraw/zinc/77/99/83/1021779983.db2.gz HHDUDCZTYQZMJX-DLBZAZTESA-N 1 3 304.478 3.858 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccccc1C(F)(F)F ZINC000538244213 1033014166 /nfs/dbraw/zinc/01/41/66/1033014166.db2.gz HZKUVROAVTWVHM-STQMWFEESA-N 1 3 300.368 3.840 20 0 DHADHO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)c(F)c1F ZINC001172114207 1033017930 /nfs/dbraw/zinc/01/79/30/1033017930.db2.gz MGKQDRZHVVEQBB-XQLPTFJDSA-N 1 3 308.416 3.939 20 0 DHADHO C1CC1[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000655788372 1021939476 /nfs/dbraw/zinc/93/94/76/1021939476.db2.gz IBEIZIQCGIDKOS-PMACEKPBSA-N 1 3 320.521 3.721 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]CCCF)cc1CN1CCCCC1 ZINC000183350218 1022114380 /nfs/dbraw/zinc/11/43/80/1022114380.db2.gz RTILWTUYAIUKPL-OAHLLOKOSA-N 1 3 308.441 3.691 20 0 DHADHO CCCCO[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(C)C ZINC000766450666 1022120851 /nfs/dbraw/zinc/12/08/51/1022120851.db2.gz CDFSXYKRRLLJEO-MOPGFXCFSA-N 1 3 322.537 3.967 20 0 DHADHO COC1CCC(C[NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000766494069 1022126930 /nfs/dbraw/zinc/12/69/30/1022126930.db2.gz FMOITEIRRWHOPL-UHFFFAOYSA-N 1 3 322.537 3.826 20 0 DHADHO Clc1cccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166666326 1022143207 /nfs/dbraw/zinc/14/32/07/1022143207.db2.gz QWZIWEIUVLPPJA-DLBZAZTESA-N 1 3 304.865 3.588 20 0 DHADHO Clc1cccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166666326 1022143214 /nfs/dbraw/zinc/14/32/14/1022143214.db2.gz QWZIWEIUVLPPJA-DLBZAZTESA-N 1 3 304.865 3.588 20 0 DHADHO C[C@@H]1C[C@H](NCc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268874757 1022386597 /nfs/dbraw/zinc/38/65/97/1022386597.db2.gz VECTUEIPMNOHNG-VQIMIIECSA-N 1 3 310.441 3.535 20 0 DHADHO C[C@@H]1C[C@H](NCc2ccc(O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268874757 1022386613 /nfs/dbraw/zinc/38/66/13/1022386613.db2.gz VECTUEIPMNOHNG-VQIMIIECSA-N 1 3 310.441 3.535 20 0 DHADHO CCC[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000132736905 1033057746 /nfs/dbraw/zinc/05/77/46/1033057746.db2.gz NPRBYBWPIHNJJH-YLJYHZDGSA-N 1 3 316.489 3.618 20 0 DHADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000276932075 1022650316 /nfs/dbraw/zinc/65/03/16/1022650316.db2.gz SJZITDUVGDYTNL-LBPRGKRZSA-N 1 3 316.367 3.720 20 0 DHADHO COCCC[NH+]1CCC(N[C@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000159233599 1022879823 /nfs/dbraw/zinc/87/98/23/1022879823.db2.gz UNHQWQBZRJKFLZ-MRXNPFEDSA-N 1 3 322.468 3.594 20 0 DHADHO FC1(F)CC(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000293798002 1022972097 /nfs/dbraw/zinc/97/20/97/1022972097.db2.gz UTZBCNSOKGBVEA-FGTMMUONSA-N 1 3 320.427 3.532 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622043714 1023004867 /nfs/dbraw/zinc/00/48/67/1023004867.db2.gz IMMMMPBZFJDTDT-RYUDHWBXSA-N 1 3 300.368 3.800 20 0 DHADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925662541 1023016268 /nfs/dbraw/zinc/01/62/68/1023016268.db2.gz JDCBFIKLJNYHJU-BLONPCRPSA-N 1 3 304.865 3.705 20 0 DHADHO CN1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000250150672 1023071136 /nfs/dbraw/zinc/07/11/36/1023071136.db2.gz WZKKEBXUPZBDPG-OXQOHEQNSA-N 1 3 312.432 3.847 20 0 DHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCC=CO1 ZINC000194037718 1023149133 /nfs/dbraw/zinc/14/91/33/1023149133.db2.gz QVNMPVGZFOTXNM-UXHICEINSA-N 1 3 314.473 3.523 20 0 DHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCC=CO1 ZINC000194037718 1023149135 /nfs/dbraw/zinc/14/91/35/1023149135.db2.gz QVNMPVGZFOTXNM-UXHICEINSA-N 1 3 314.473 3.523 20 0 DHADHO CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001172337298 1033119736 /nfs/dbraw/zinc/11/97/36/1033119736.db2.gz PNHYTVHPRJZTII-IAGOWNOFSA-N 1 3 310.526 3.967 20 0 DHADHO FC1(F)CC12CCC([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)CC2 ZINC000925710625 1023320024 /nfs/dbraw/zinc/32/00/24/1023320024.db2.gz XIJDIBIGKIVQEI-JCCCHCCOSA-N 1 3 312.448 3.712 20 0 DHADHO FC1(F)CC12CCC([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)CC2 ZINC000925710610 1023320115 /nfs/dbraw/zinc/32/01/15/1023320115.db2.gz XIJDIBIGKIVQEI-GMRIPVOYSA-N 1 3 312.448 3.712 20 0 DHADHO c1cncc([C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CCCCC2)c1 ZINC000652138562 1023356478 /nfs/dbraw/zinc/35/64/78/1023356478.db2.gz IHXXDEWNNHUSSB-OXJNMPFZSA-N 1 3 313.489 3.777 20 0 DHADHO c1cncc([C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CCCCC2)c1 ZINC000652138562 1023356481 /nfs/dbraw/zinc/35/64/81/1023356481.db2.gz IHXXDEWNNHUSSB-OXJNMPFZSA-N 1 3 313.489 3.777 20 0 DHADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCc1ccc(Cl)cc1)C2 ZINC000660658102 1023364974 /nfs/dbraw/zinc/36/49/74/1023364974.db2.gz BWYXZUYZJDFPFH-SFHVURJKSA-N 1 3 306.881 3.690 20 0 DHADHO C[N@H+]1CC[C@]2(C1)CCCN(CCCc1ccc(Cl)cc1)C2 ZINC000660658102 1023364983 /nfs/dbraw/zinc/36/49/83/1023364983.db2.gz BWYXZUYZJDFPFH-SFHVURJKSA-N 1 3 306.881 3.690 20 0 DHADHO C[C@@H]1CC[C@H]([NH+]2CCC(N)(Cc3ccc(F)cc3)CC2)C[C@@H]1C ZINC001172365552 1033143832 /nfs/dbraw/zinc/14/38/32/1033143832.db2.gz ABKDMIUEIBPXES-GJYPPUQNSA-N 1 3 318.480 3.986 20 0 DHADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C[C@H]1C ZINC001172371892 1033151920 /nfs/dbraw/zinc/15/19/20/1033151920.db2.gz VQSOMLUNUHSVRX-MBOZVWFJSA-N 1 3 315.505 3.708 20 0 DHADHO CCn1cc(CN2CCC(CCC[NH+](CC)CC)CC2)c(C)n1 ZINC000893499409 1023717595 /nfs/dbraw/zinc/71/75/95/1023717595.db2.gz SWMLLZJSEWCHOB-UHFFFAOYSA-N 1 3 320.525 3.545 20 0 DHADHO CCCCN1CCC([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000236767357 1023854443 /nfs/dbraw/zinc/85/44/43/1023854443.db2.gz GIEBPBJIYABHAQ-UHFFFAOYSA-N 1 3 316.489 3.754 20 0 DHADHO Cc1[nH+]c(N)ccc1CNc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001167786404 1023864174 /nfs/dbraw/zinc/86/41/74/1023864174.db2.gz FZQFQPMOBWRHPL-UHFFFAOYSA-N 1 3 303.369 3.614 20 0 DHADHO CC(C)OCC[NH+]1CCC(Nc2ccnc3ccccc32)CC1 ZINC000267010514 1024047172 /nfs/dbraw/zinc/04/71/72/1024047172.db2.gz GNBNEMNHHDZUFZ-UHFFFAOYSA-N 1 3 313.445 3.536 20 0 DHADHO CC[C@@H](CC(C)C)[NH+]1CCC(N)(Cc2ccc(F)cc2)CC1 ZINC001172401954 1033186555 /nfs/dbraw/zinc/18/65/55/1033186555.db2.gz RGNHXLXREOXPSC-SFHVURJKSA-N 1 3 306.469 3.986 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](CO)CCC(C)(C)C)CC1 ZINC000475680668 1024232825 /nfs/dbraw/zinc/23/28/25/1024232825.db2.gz QRNCWPJSKVYVFU-NEWSRXKRSA-N 1 3 324.553 3.806 20 0 DHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccccc3)CC2)C1 ZINC000531677151 1024266790 /nfs/dbraw/zinc/26/67/90/1024266790.db2.gz XLFNSCYIUOMAHA-FXAWDEMLSA-N 1 3 300.490 3.862 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3ccccc3)CC2)C1 ZINC000531677153 1024267114 /nfs/dbraw/zinc/26/71/14/1024267114.db2.gz XLFNSCYIUOMAHA-XLIONFOSSA-N 1 3 300.490 3.862 20 0 DHADHO C[C@@H](C[NH2+][C@@H](C)CCCc1cccnc1)CN1CCCCC1 ZINC000453061233 1024309009 /nfs/dbraw/zinc/30/90/09/1024309009.db2.gz NLRWXGGBBGBAPD-ROUUACIJSA-N 1 3 303.494 3.504 20 0 DHADHO CC(C)OCC[C@@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001172439943 1033201908 /nfs/dbraw/zinc/20/19/08/1033201908.db2.gz HFLAAPRFCYKASG-MSOLQXFVSA-N 1 3 308.510 3.600 20 0 DHADHO C[C@H]1C[C@H](NC2CCC([NH+]3CCC(C)CC3)CC2)c2nccn21 ZINC000453166932 1024377222 /nfs/dbraw/zinc/37/72/22/1024377222.db2.gz HSPCATDQPCYCBL-BFWZDYSYSA-N 1 3 316.493 3.522 20 0 DHADHO FC(F)C1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663466430 1024402905 /nfs/dbraw/zinc/40/29/05/1024402905.db2.gz SUATUWBGPBKWER-QQFBHYJXSA-N 1 3 300.437 3.522 20 0 DHADHO [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883428599 1024433809 /nfs/dbraw/zinc/43/38/09/1024433809.db2.gz YBNIFEPQZIWAPY-FHWLQOOXSA-N 1 3 302.462 3.500 20 0 DHADHO Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC000453285502 1024438932 /nfs/dbraw/zinc/43/89/32/1024438932.db2.gz JCVZWILPFDOADZ-MZADTFQBSA-N 1 3 321.468 3.675 20 0 DHADHO c1ccc([C@H]2CCC[C@H](C[N@@H+]3CCNCCC34CCC4)O2)cc1 ZINC000883460235 1024439256 /nfs/dbraw/zinc/43/92/56/1024439256.db2.gz SCDJDHITLLDYHD-RTBURBONSA-N 1 3 314.473 3.515 20 0 DHADHO c1ccc([C@H]2CCC[C@H](C[N@H+]3CCNCCC34CCC4)O2)cc1 ZINC000883460235 1024439259 /nfs/dbraw/zinc/43/92/59/1024439259.db2.gz SCDJDHITLLDYHD-RTBURBONSA-N 1 3 314.473 3.515 20 0 DHADHO CSC1CCC(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925803414 1024627457 /nfs/dbraw/zinc/62/74/57/1024627457.db2.gz ZIAFIUOCGOKATM-XAWIXRBMSA-N 1 3 310.551 3.666 20 0 DHADHO c1ccc([C@@H]2C[C@H](NCCOC3CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000877071053 1033227446 /nfs/dbraw/zinc/22/74/46/1033227446.db2.gz CIOQPNLROMPNSY-XLIONFOSSA-N 1 3 314.473 3.513 20 0 DHADHO c1ccc([C@@H]2C[C@H](NCCOC3CCC3)CC[N@H+]2C2CC2)cc1 ZINC000877071053 1033227452 /nfs/dbraw/zinc/22/74/52/1033227452.db2.gz CIOQPNLROMPNSY-XLIONFOSSA-N 1 3 314.473 3.513 20 0 DHADHO CCCN(CCC[NH+](C)C)Cc1ccc(F)c2cccnc12 ZINC000349421729 1024717271 /nfs/dbraw/zinc/71/72/71/1024717271.db2.gz TXGHBKZDUMYDSL-UHFFFAOYSA-N 1 3 303.425 3.538 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666239420 1024823312 /nfs/dbraw/zinc/82/33/12/1024823312.db2.gz JPUMKSUTWUQASM-GDBMZVCRSA-N 1 3 306.881 3.517 20 0 DHADHO Cc1ncccc1CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350552798 1024827220 /nfs/dbraw/zinc/82/72/20/1024827220.db2.gz GBZAOUCOGKBRII-RTWAWAEBSA-N 1 3 323.484 3.562 20 0 DHADHO Cc1ccc(SC[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000893654698 1024831570 /nfs/dbraw/zinc/83/15/70/1024831570.db2.gz HAITWJGOXXMEDM-MGNMYUMUSA-N 1 3 304.503 3.690 20 0 DHADHO Cc1ccc(SC[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000893654698 1024831597 /nfs/dbraw/zinc/83/15/97/1024831597.db2.gz HAITWJGOXXMEDM-MGNMYUMUSA-N 1 3 304.503 3.690 20 0 DHADHO C[N@H+](CCC1CCOCC1)C1CCN(C2CCCCC2)CC1 ZINC001202683795 1024856623 /nfs/dbraw/zinc/85/66/23/1024856623.db2.gz LZUSIAVWFFTNQC-UHFFFAOYSA-N 1 3 308.510 3.532 20 0 DHADHO C[N@@H+](CCC1CCOCC1)C1CCN(C2CCCCC2)CC1 ZINC001202683795 1024856640 /nfs/dbraw/zinc/85/66/40/1024856640.db2.gz LZUSIAVWFFTNQC-UHFFFAOYSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H](c1ccncc1)N1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663736820 1024950045 /nfs/dbraw/zinc/95/00/45/1024950045.db2.gz RJKJLLJIUCQOJH-AWEZNQCLSA-N 1 3 321.428 3.595 20 0 DHADHO CCC[NH+]1C[C@@H]2CN([C@H](C)Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001168192981 1025165717 /nfs/dbraw/zinc/16/57/17/1025165717.db2.gz OUPYFGGAZPMNMR-DJIMGWMZSA-N 1 3 306.881 3.545 20 0 DHADHO CCC[N@H+]1C[C@H]2CN([C@H](C)Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001168192984 1025167758 /nfs/dbraw/zinc/16/77/58/1025167758.db2.gz OUPYFGGAZPMNMR-OIISXLGYSA-N 1 3 306.881 3.545 20 0 DHADHO CCC[N@@H+]1C[C@H]2CN([C@H](C)Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001168192984 1025167764 /nfs/dbraw/zinc/16/77/64/1025167764.db2.gz OUPYFGGAZPMNMR-OIISXLGYSA-N 1 3 306.881 3.545 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccccc1-c1ccccc1 ZINC000539093425 1033272929 /nfs/dbraw/zinc/27/29/29/1033272929.db2.gz PRIXGXNFJPRURA-PXNSSMCTSA-N 1 3 324.468 3.662 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccccc1-c1ccccc1 ZINC000539093425 1033272935 /nfs/dbraw/zinc/27/29/35/1033272935.db2.gz PRIXGXNFJPRURA-PXNSSMCTSA-N 1 3 324.468 3.662 20 0 DHADHO COCCC1(C[NH2+]C2CCN(CCC(C)C)CC2)CCCC1 ZINC000925273807 1025339306 /nfs/dbraw/zinc/33/93/06/1025339306.db2.gz YVHQJUYXVJLONU-UHFFFAOYSA-N 1 3 310.526 3.683 20 0 DHADHO CCCC[C@@H](CC)CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000438095985 1025370923 /nfs/dbraw/zinc/37/09/23/1025370923.db2.gz IHZQLCJDCNUQHB-WOJBJXKFSA-N 1 3 323.569 3.695 20 0 DHADHO CCCC[C@@H](CC)CCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000438095985 1025370941 /nfs/dbraw/zinc/37/09/41/1025370941.db2.gz IHZQLCJDCNUQHB-WOJBJXKFSA-N 1 3 323.569 3.695 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885969537 1025423858 /nfs/dbraw/zinc/42/38/58/1025423858.db2.gz VRCVJSFTQBZZRC-QZTJIDSGSA-N 1 3 308.510 3.578 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1cccc(OC)c1 ZINC000125769000 1025490149 /nfs/dbraw/zinc/49/01/49/1025490149.db2.gz LLBODXPRCODXNS-QFBILLFUSA-N 1 3 304.478 3.856 20 0 DHADHO CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CCC2 ZINC000125857130 1025493808 /nfs/dbraw/zinc/49/38/08/1025493808.db2.gz OGUKPAWWAZXWEF-HUUCEWRRSA-N 1 3 321.534 3.793 20 0 DHADHO C([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@H]1CCCN(CC2CC2)C1 ZINC000886166891 1025541990 /nfs/dbraw/zinc/54/19/90/1025541990.db2.gz UTULWKPEHPIMGU-MOPGFXCFSA-N 1 3 320.521 3.580 20 0 DHADHO CN(C)CC1(C[NH2+][C@H]2CCSc3ccccc32)CCCC1 ZINC000355072395 1025598919 /nfs/dbraw/zinc/59/89/19/1025598919.db2.gz XKWPAIWRNUTXFQ-INIZCTEOSA-N 1 3 304.503 3.935 20 0 DHADHO Cc1nc(C2CC[NH+](Cc3cc(F)ccc3F)CC2)[nH]c1C ZINC000886664805 1025769582 /nfs/dbraw/zinc/76/95/82/1025769582.db2.gz YATHJUOQYUUWLL-UHFFFAOYSA-N 1 3 305.372 3.684 20 0 DHADHO CCCCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245674598 1026120619 /nfs/dbraw/zinc/12/06/19/1026120619.db2.gz HTPVCWSLNYIRRC-ACDBMABISA-N 1 3 316.489 3.588 20 0 DHADHO CCCCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245674598 1026120643 /nfs/dbraw/zinc/12/06/43/1026120643.db2.gz HTPVCWSLNYIRRC-ACDBMABISA-N 1 3 316.489 3.588 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261747623 1026246703 /nfs/dbraw/zinc/24/67/03/1026246703.db2.gz BYNOWFUWOMPNJM-JSGCOSHPSA-N 1 3 300.368 3.573 20 0 DHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000420297385 1026797200 /nfs/dbraw/zinc/79/72/00/1026797200.db2.gz DBYXRTYUOMKVEX-SJLPKXTDSA-N 1 3 316.470 3.636 20 0 DHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000420297385 1026797211 /nfs/dbraw/zinc/79/72/11/1026797211.db2.gz DBYXRTYUOMKVEX-SJLPKXTDSA-N 1 3 316.470 3.636 20 0 DHADHO Fc1cccc(F)c1CN(CC[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000420310501 1026800743 /nfs/dbraw/zinc/80/07/43/1026800743.db2.gz VCLHBEMDVKQTHU-AWEZNQCLSA-N 1 3 308.416 3.709 20 0 DHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC000420326272 1026805523 /nfs/dbraw/zinc/80/55/23/1026805523.db2.gz XCBREOVPSHPQDZ-FPOVZHCZSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC000420326272 1026805532 /nfs/dbraw/zinc/80/55/32/1026805532.db2.gz XCBREOVPSHPQDZ-FPOVZHCZSA-N 1 3 324.468 3.883 20 0 DHADHO Cc1occc1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000414452437 1026805657 /nfs/dbraw/zinc/80/56/57/1026805657.db2.gz LCXARALNBFQQIN-UXHICEINSA-N 1 3 310.441 3.542 20 0 DHADHO Cc1occc1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000414452437 1026805667 /nfs/dbraw/zinc/80/56/67/1026805667.db2.gz LCXARALNBFQQIN-UXHICEINSA-N 1 3 310.441 3.542 20 0 DHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2ccccc2C)cc1 ZINC000420328375 1026807195 /nfs/dbraw/zinc/80/71/95/1026807195.db2.gz ZGPBULHGURVEDE-NQIIRXRSSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2ccccc2C)cc1 ZINC000420328375 1026807201 /nfs/dbraw/zinc/80/72/01/1026807201.db2.gz ZGPBULHGURVEDE-NQIIRXRSSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC000420326269 1026807745 /nfs/dbraw/zinc/80/77/45/1026807745.db2.gz XCBREOVPSHPQDZ-CTNGQTDRSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC000420326269 1026807757 /nfs/dbraw/zinc/80/77/57/1026807757.db2.gz XCBREOVPSHPQDZ-CTNGQTDRSA-N 1 3 324.468 3.883 20 0 DHADHO C[C@H](c1ccccc1Cl)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420382470 1026810873 /nfs/dbraw/zinc/81/08/73/1026810873.db2.gz PUNWHQVEXRWUIL-FSPWUOQZSA-N 1 3 322.880 3.619 20 0 DHADHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1C(F)(F)F ZINC000414459582 1026818270 /nfs/dbraw/zinc/81/82/70/1026818270.db2.gz BNXFHOUQBROQGG-GOOCMWNKSA-N 1 3 312.379 3.729 20 0 DHADHO COc1ccccc1/C=C/CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000571660968 1027141313 /nfs/dbraw/zinc/14/13/13/1027141313.db2.gz GBTMPGDABKCXOW-VQHVLOKHSA-N 1 3 316.489 3.761 20 0 DHADHO COc1ccccc1/C=C/CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000571660968 1027141319 /nfs/dbraw/zinc/14/13/19/1027141319.db2.gz GBTMPGDABKCXOW-VQHVLOKHSA-N 1 3 316.489 3.761 20 0 DHADHO COc1ccc2c(c1F)CC[C@@H]2N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000572201070 1027182620 /nfs/dbraw/zinc/18/26/20/1027182620.db2.gz SSIFXKMUXZGNMJ-RDJZCZTQSA-N 1 3 322.468 3.778 20 0 DHADHO C[C@@H](NC1(c2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271986127 1027195170 /nfs/dbraw/zinc/19/51/70/1027195170.db2.gz KQLAXAAGIJYXFZ-QGZVFWFLSA-N 1 3 324.468 3.967 20 0 DHADHO C[C@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)CN1CCCC1 ZINC000573139978 1027266065 /nfs/dbraw/zinc/26/60/65/1027266065.db2.gz VEADFQUVHZQYQH-MJJDPTRDSA-N 1 3 308.416 3.532 20 0 DHADHO C(COC1CCCCCC1)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422762013 1027307133 /nfs/dbraw/zinc/30/71/33/1027307133.db2.gz NIRYZAMFDVHYLR-CEXWTWQISA-N 1 3 308.510 3.626 20 0 DHADHO Cc1ccc(SCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422771816 1027313053 /nfs/dbraw/zinc/31/30/53/1027313053.db2.gz RNNFIVCEYAPUKG-KURKYZTESA-N 1 3 304.503 3.597 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000422772668 1027314943 /nfs/dbraw/zinc/31/49/43/1027314943.db2.gz XLQNKSRDJYHYBA-DJPFJPOOSA-N 1 3 323.484 3.911 20 0 DHADHO Cc1ccccc1O[C@H](C)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422784113 1027317007 /nfs/dbraw/zinc/31/70/07/1027317007.db2.gz IBMPHMLPCYKZNN-YDZRNGNQSA-N 1 3 316.489 3.663 20 0 DHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](C)Sc1ccccc1 ZINC000422778900 1027319028 /nfs/dbraw/zinc/31/90/28/1027319028.db2.gz BCTSOTUIZKENEZ-GPMSIDNRSA-N 1 3 314.498 3.715 20 0 DHADHO Cc1ccc(SC2(CN[C@@H](C)C3C[NH2+]C3)CCCC2)cc1 ZINC000422832831 1027334005 /nfs/dbraw/zinc/33/40/05/1027334005.db2.gz GEPRPQYUVYNJMH-HNNXBMFYSA-N 1 3 304.503 3.597 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCCc2c[nH]c3cc(F)ccc23)c2ccccc21 ZINC000422830813 1027334514 /nfs/dbraw/zinc/33/45/14/1027334514.db2.gz DBXPBEURHJIAOZ-PKOBYXMFSA-N 1 3 309.388 3.584 20 0 DHADHO Cc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C2CC2)cc1 ZINC000422816176 1027337813 /nfs/dbraw/zinc/33/78/13/1027337813.db2.gz ZHOIFUUQLUEAIS-MGPUTAFESA-N 1 3 309.457 3.959 20 0 DHADHO Cc1ccc([C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C2CC2)cc1 ZINC000422816178 1027338185 /nfs/dbraw/zinc/33/81/85/1027338185.db2.gz ZHOIFUUQLUEAIS-YWZLYKJASA-N 1 3 309.457 3.959 20 0 DHADHO CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000422835420 1027338657 /nfs/dbraw/zinc/33/86/57/1027338657.db2.gz IVFAOEGURPMWET-KBPBESRZSA-N 1 3 301.261 3.740 20 0 DHADHO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)c(C)c1 ZINC000422890222 1027351258 /nfs/dbraw/zinc/35/12/58/1027351258.db2.gz ROGCMNVVONCLSZ-HOTGVXAUSA-N 1 3 311.473 3.747 20 0 DHADHO CC(C)c1nc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cs1 ZINC000422906029 1027353256 /nfs/dbraw/zinc/35/32/56/1027353256.db2.gz TZCIGCROPVNPBL-GVDBMIGSSA-N 1 3 321.534 3.709 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422927777 1027366895 /nfs/dbraw/zinc/36/68/95/1027366895.db2.gz HBYXTJJGVQSHFZ-MRXNPFEDSA-N 1 3 323.484 3.912 20 0 DHADHO COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422939506 1027370635 /nfs/dbraw/zinc/37/06/35/1027370635.db2.gz FXBFPSBEKQWSEX-OWCLPIDISA-N 1 3 322.518 3.531 20 0 DHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccc(F)cc1Cl ZINC000422955459 1027380013 /nfs/dbraw/zinc/38/00/13/1027380013.db2.gz LYOKNBOEYZTYCQ-FZKQIMNGSA-N 1 3 320.839 3.570 20 0 DHADHO c1ccc(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)nc1 ZINC000422994961 1027382652 /nfs/dbraw/zinc/38/26/52/1027382652.db2.gz JAGLXBYZMBHJNB-HMXCVIKNSA-N 1 3 321.468 3.759 20 0 DHADHO CC(C)[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)Nc1ccccc1 ZINC000422981577 1027386255 /nfs/dbraw/zinc/38/62/55/1027386255.db2.gz SYYBBNXDOMNECA-UFYCRDLUSA-N 1 3 309.457 3.858 20 0 DHADHO CC[C@H](CSc1ccc(C)c(C)c1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423007876 1027389303 /nfs/dbraw/zinc/38/93/03/1027389303.db2.gz YWLWRDWASSVVMN-YESZJQIVSA-N 1 3 306.519 3.762 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423045970 1027401580 /nfs/dbraw/zinc/40/15/80/1027401580.db2.gz DNIOCWTXDPVZEJ-NQERJWCQSA-N 1 3 322.452 3.850 20 0 DHADHO COCCC[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)c1ccc(Cl)cc1 ZINC000423100372 1027417708 /nfs/dbraw/zinc/41/77/08/1027417708.db2.gz GUJGYMNSCAXMEC-NUJGCVRESA-N 1 3 324.896 3.567 20 0 DHADHO Fc1cccc2c1CCC[C@@H]2N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423144971 1027427140 /nfs/dbraw/zinc/42/71/40/1027427140.db2.gz INKWRHGNSQOPDV-OQIJWPOYSA-N 1 3 302.437 3.713 20 0 DHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cc2ccccc2s1 ZINC000423136505 1027435178 /nfs/dbraw/zinc/43/51/78/1027435178.db2.gz PHCPQLCZHWRYMK-BEFAXECRSA-N 1 3 324.493 3.992 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423138767 1027435623 /nfs/dbraw/zinc/43/56/23/1027435623.db2.gz TZXKLKUMYGMHDD-GKCIPKSASA-N 1 3 309.457 3.693 20 0 DHADHO CCN1CC[C@H](C[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000574961542 1027443725 /nfs/dbraw/zinc/44/37/25/1027443725.db2.gz KHVDWRNQTKCBPQ-QPIRBTGLSA-N 1 3 300.490 3.892 20 0 DHADHO COc1ccc([C@@H](Cc2ccccc2)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000423207366 1027446049 /nfs/dbraw/zinc/44/60/49/1027446049.db2.gz GWQPSLSIWHCCSW-GHTZIAJQSA-N 1 3 324.468 3.568 20 0 DHADHO COc1ccc([C@H](Cc2ccccc2)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423207368 1027446741 /nfs/dbraw/zinc/44/67/41/1027446741.db2.gz GWQPSLSIWHCCSW-NQIIRXRSSA-N 1 3 324.468 3.568 20 0 DHADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000423280416 1027492870 /nfs/dbraw/zinc/49/28/70/1027492870.db2.gz UCUZGSNBWCXSLS-RISCZKNCSA-N 1 3 302.434 3.678 20 0 DHADHO COc1cccc(C[C@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423217134 1027459814 /nfs/dbraw/zinc/45/98/14/1027459814.db2.gz SZANBRQKYKGOOY-NQIIRXRSSA-N 1 3 324.468 3.568 20 0 DHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000423251108 1027475661 /nfs/dbraw/zinc/47/56/61/1027475661.db2.gz WBFGSTMKDTYISL-QRWLVFNGSA-N 1 3 320.440 3.531 20 0 DHADHO COc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C(C)C)cc1 ZINC000295938480 1027495555 /nfs/dbraw/zinc/49/55/55/1027495555.db2.gz LGKACIPLHOFIFI-RGPMPMONSA-N 1 3 302.462 3.607 20 0 DHADHO COc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C(C)C)cc1 ZINC000295938480 1027495562 /nfs/dbraw/zinc/49/55/62/1027495562.db2.gz LGKACIPLHOFIFI-RGPMPMONSA-N 1 3 302.462 3.607 20 0 DHADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423310005 1027496023 /nfs/dbraw/zinc/49/60/23/1027496023.db2.gz RAXXZBPUNPEVHU-BYCMXARLSA-N 1 3 300.368 3.526 20 0 DHADHO CC(C)[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310388 1027496186 /nfs/dbraw/zinc/49/61/86/1027496186.db2.gz AEVXOIHCLWRJJU-LSDHHAIUSA-N 1 3 300.368 3.729 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CSCCc3ccccc32)cc1 ZINC000423295864 1027505024 /nfs/dbraw/zinc/50/50/24/1027505024.db2.gz XOWXPKSIOIICQI-KUHUBIRLSA-N 1 3 312.482 3.827 20 0 DHADHO CC[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc2cc(OC)ccc2c1 ZINC000423391341 1027530560 /nfs/dbraw/zinc/53/05/60/1027530560.db2.gz KWUILEVVYZOHNS-GKCIPKSASA-N 1 3 312.457 3.887 20 0 DHADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423401186 1027535373 /nfs/dbraw/zinc/53/53/73/1027535373.db2.gz VWADOHLNCFZQRH-DRZSPHRISA-N 1 3 302.340 3.506 20 0 DHADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000423408373 1027541896 /nfs/dbraw/zinc/54/18/96/1027541896.db2.gz XIUZVTJMGFOBBR-UIFIKXQLSA-N 1 3 308.469 3.948 20 0 DHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H](C)[C@@H](C)N ZINC000423442165 1027544001 /nfs/dbraw/zinc/54/40/01/1027544001.db2.gz JLUOQLBUWXQXHL-UPJWGTAASA-N 1 3 303.475 3.813 20 0 DHADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423452406 1027546832 /nfs/dbraw/zinc/54/68/32/1027546832.db2.gz WFJFAHHTNOVJMJ-KFWWJZLASA-N 1 3 316.420 3.791 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423449207 1027548110 /nfs/dbraw/zinc/54/81/10/1027548110.db2.gz RCPUZLWWPNIMLN-MJVIPROJSA-N 1 3 319.449 3.652 20 0 DHADHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423463940 1027556348 /nfs/dbraw/zinc/55/63/48/1027556348.db2.gz GBXZBNCVLLHRTP-NXHKRRBXSA-N 1 3 316.464 3.687 20 0 DHADHO CCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1OCCC ZINC000423453002 1027564589 /nfs/dbraw/zinc/56/45/89/1027564589.db2.gz WYJKCJYLZOIVDH-ZNMIVQPWSA-N 1 3 308.466 3.651 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1 ZINC000423535258 1027583631 /nfs/dbraw/zinc/58/36/31/1027583631.db2.gz XFVOUNLLCBASCV-QMKUDKLTSA-N 1 3 324.468 3.532 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](Cc2ccccc2C)C2CC2)C1 ZINC000576654538 1027642565 /nfs/dbraw/zinc/64/25/65/1027642565.db2.gz QAYUIFPVTXRXOV-XLIONFOSSA-N 1 3 300.490 3.638 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2C)C2CC2)C1 ZINC000576654537 1027643147 /nfs/dbraw/zinc/64/31/47/1027643147.db2.gz QAYUIFPVTXRXOV-PXNSSMCTSA-N 1 3 300.490 3.638 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCC2(c3c(F)cccc3F)CCCC2)C1 ZINC000577004925 1027692755 /nfs/dbraw/zinc/69/27/55/1027692755.db2.gz OHJPXKIUZLRFFU-ZIAGYGMSSA-N 1 3 308.416 3.636 20 0 DHADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1)CN(C)C ZINC000813876953 1027748112 /nfs/dbraw/zinc/74/81/12/1027748112.db2.gz FIOSUHIZRSMNPL-RYUDHWBXSA-N 1 3 302.434 3.850 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(-c2cncnc2)cc1 ZINC000367655979 1028221081 /nfs/dbraw/zinc/22/10/81/1028221081.db2.gz FFFCPCTVSWJOTC-JXFKEZNVSA-N 1 3 324.472 3.669 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](CCOC2CCC2)CC1 ZINC000367739928 1028234248 /nfs/dbraw/zinc/23/42/48/1028234248.db2.gz YGZBSWTYEBYAMP-IBGZPJMESA-N 1 3 316.489 3.542 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](CCOC2CCC2)CC1 ZINC000367739928 1028234264 /nfs/dbraw/zinc/23/42/64/1028234264.db2.gz YGZBSWTYEBYAMP-IBGZPJMESA-N 1 3 316.489 3.542 20 0 DHADHO COc1ccc(-c2csc(CN[C@H]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC000578882731 1028264352 /nfs/dbraw/zinc/26/43/52/1028264352.db2.gz PLUWXFURTXKPRW-HOTGVXAUSA-N 1 3 316.470 3.783 20 0 DHADHO CC(C)CN1CCC([NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449071521 1028332772 /nfs/dbraw/zinc/33/27/72/1028332772.db2.gz HOMDQJGPMGTMAR-CQSZACIVSA-N 1 3 310.432 3.778 20 0 DHADHO COc1cc(C)ccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449294483 1028532707 /nfs/dbraw/zinc/53/27/07/1028532707.db2.gz LRPJTJDUWJCWJB-IBGZPJMESA-N 1 3 324.468 3.615 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc(COc3ccccc3)c2)C1 ZINC000565610309 1028612101 /nfs/dbraw/zinc/61/21/01/1028612101.db2.gz XZIFACNDGLOSJG-MOPGFXCFSA-N 1 3 310.441 3.625 20 0 DHADHO CC[N@@H+]1CC[C@@H](NCc2ccccc2-c2ccncc2)[C@@H](C)C1 ZINC000371207743 1028676641 /nfs/dbraw/zinc/67/66/41/1028676641.db2.gz FNOBYAKPRHFZNW-OXJNMPFZSA-N 1 3 309.457 3.569 20 0 DHADHO CC[N@H+]1CC[C@@H](NCc2ccccc2-c2ccncc2)[C@@H](C)C1 ZINC000371207743 1028676646 /nfs/dbraw/zinc/67/66/46/1028676646.db2.gz FNOBYAKPRHFZNW-OXJNMPFZSA-N 1 3 309.457 3.569 20 0 DHADHO c1c2ccccc2oc1[C@@H](NCC[C@@H]1CC[NH2+]C1)c1cccnc1 ZINC000566849848 1028793370 /nfs/dbraw/zinc/79/33/70/1028793370.db2.gz QQCVYQBBWSFHOH-YWZLYKJASA-N 1 3 321.424 3.506 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NC2(c3ccc(Br)cc3)CCC2)C1 ZINC000569000455 1029157249 /nfs/dbraw/zinc/15/72/49/1029157249.db2.gz JCVSJUJHRSIJLO-GJZGRUSLSA-N 1 3 323.278 3.688 20 0 DHADHO CCc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817897542 1029268195 /nfs/dbraw/zinc/26/81/95/1029268195.db2.gz RUDCRISFYHKVEW-CTNGQTDRSA-N 1 3 322.452 3.595 20 0 DHADHO CC(C)(C)c1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000817894704 1029268401 /nfs/dbraw/zinc/26/84/01/1029268401.db2.gz QAJXOJMYFNFZTL-VAMGGRTRSA-N 1 3 324.468 3.752 20 0 DHADHO CC[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000817955176 1029295160 /nfs/dbraw/zinc/29/51/60/1029295160.db2.gz RSVGWCMJMFKUGD-RTBURBONSA-N 1 3 310.441 3.752 20 0 DHADHO N[C@@H](C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21)C1CC1 ZINC000817965980 1029308470 /nfs/dbraw/zinc/30/84/70/1029308470.db2.gz YIVQARNFOVEHRM-GJZGRUSLSA-N 1 3 312.429 3.706 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCc3sc(Cl)cc32)[C@H]2CCC[C@@H]21 ZINC000570249898 1029340427 /nfs/dbraw/zinc/34/04/27/1029340427.db2.gz IHYLOGVUEBZCKY-ZZVYKPCYSA-N 1 3 310.894 3.851 20 0 DHADHO C[N@H+]1CC[C@H](N[C@@H]2CCc3sc(Cl)cc32)[C@H]2CCC[C@@H]21 ZINC000570249898 1029340442 /nfs/dbraw/zinc/34/04/42/1029340442.db2.gz IHYLOGVUEBZCKY-ZZVYKPCYSA-N 1 3 310.894 3.851 20 0 DHADHO Cc1cncc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000629527930 1029359277 /nfs/dbraw/zinc/35/92/77/1029359277.db2.gz JTKYTMGFBQMFEN-RTWAWAEBSA-N 1 3 323.484 3.562 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000570826326 1029425014 /nfs/dbraw/zinc/42/50/14/1029425014.db2.gz AGPUYLQTRHUVKS-DVOMOZLQSA-N 1 3 310.388 3.525 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(Cl)c(OC)c2)[C@@H](C)C1 ZINC000450572355 1029554311 /nfs/dbraw/zinc/55/43/11/1029554311.db2.gz UNMRBPNGXKBYNZ-BBRMVZONSA-N 1 3 310.869 3.511 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)c(OC)c2)[C@@H](C)C1 ZINC000450572355 1029554318 /nfs/dbraw/zinc/55/43/18/1029554318.db2.gz UNMRBPNGXKBYNZ-BBRMVZONSA-N 1 3 310.869 3.511 20 0 DHADHO C[C@@H]1C[C@H](NCc2cc3nc(Cl)ccc3s2)CC[N@@H+]1C ZINC000585118218 1029781204 /nfs/dbraw/zinc/78/12/04/1029781204.db2.gz HDLVYUHCCSEPPK-GHMZBOCLSA-N 1 3 309.866 3.522 20 0 DHADHO C[C@@H]1C[C@H](NCc2cc3nc(Cl)ccc3s2)CC[N@H+]1C ZINC000585118218 1029781211 /nfs/dbraw/zinc/78/12/11/1029781211.db2.gz HDLVYUHCCSEPPK-GHMZBOCLSA-N 1 3 309.866 3.522 20 0 DHADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccc(C)cc1 ZINC000924546036 1030119857 /nfs/dbraw/zinc/11/98/57/1030119857.db2.gz FTSGQJSLPWCQTL-RAFMOHDBSA-N 1 3 316.489 3.678 20 0 DHADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccc(C)cc1 ZINC000924546036 1030119859 /nfs/dbraw/zinc/11/98/59/1030119859.db2.gz FTSGQJSLPWCQTL-RAFMOHDBSA-N 1 3 316.489 3.678 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000822841711 1030143804 /nfs/dbraw/zinc/14/38/04/1030143804.db2.gz OLDCKUVQJILQLS-BFHYXJOUSA-N 1 3 319.320 3.813 20 0 DHADHO COc1cc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc2ccccc21 ZINC000924651728 1030151294 /nfs/dbraw/zinc/15/12/94/1030151294.db2.gz ZZSRFUAESBUXEX-JKSUJKDBSA-N 1 3 324.468 3.983 20 0 DHADHO COc1cc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc2ccccc21 ZINC000924651728 1030151300 /nfs/dbraw/zinc/15/13/00/1030151300.db2.gz ZZSRFUAESBUXEX-JKSUJKDBSA-N 1 3 324.468 3.983 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000924960660 1030233637 /nfs/dbraw/zinc/23/36/37/1030233637.db2.gz QOCAEKWIJZATJI-WSTZPKSXSA-N 1 3 315.505 3.503 20 0 DHADHO Cc1nc(-c2ccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)o2)cs1 ZINC000358023916 1030284322 /nfs/dbraw/zinc/28/43/22/1030284322.db2.gz YQOWRISZULXGRE-YWPYICTPSA-N 1 3 319.474 3.530 20 0 DHADHO CSc1ccccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000358037588 1030292810 /nfs/dbraw/zinc/29/28/10/1030292810.db2.gz RFZJKSCXQQDSCN-QAPCUYQASA-N 1 3 316.514 3.857 20 0 DHADHO CSc1ccccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000358037588 1030292823 /nfs/dbraw/zinc/29/28/23/1030292823.db2.gz RFZJKSCXQQDSCN-QAPCUYQASA-N 1 3 316.514 3.857 20 0 DHADHO C[C@H](NCCCC[NH+](C)C)c1csc(-c2ccccc2F)n1 ZINC000291059827 1030317079 /nfs/dbraw/zinc/31/70/79/1030317079.db2.gz ACMBEWSBMBJPHK-ZDUSSCGKSA-N 1 3 321.465 3.942 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000866535885 1030356925 /nfs/dbraw/zinc/35/69/25/1030356925.db2.gz YQCGDOXLIZBNJN-DZGCQCFKSA-N 1 3 318.427 3.984 20 0 DHADHO C[C@H]([NH3+])[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000925536928 1030392732 /nfs/dbraw/zinc/39/27/32/1030392732.db2.gz SXLNUMAOEBNYRS-MYPMTAMASA-N 1 3 300.368 3.786 20 0 DHADHO CCOc1cc(C)ccc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925553623 1030402314 /nfs/dbraw/zinc/40/23/14/1030402314.db2.gz UIFGRUMCKLJIKR-LJQANCHMSA-N 1 3 312.457 3.964 20 0 DHADHO CC(C)(C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)CC(F)(F)F ZINC000925718467 1030463334 /nfs/dbraw/zinc/46/33/34/1030463334.db2.gz WRAOMUWPDQQSHD-KBPBESRZSA-N 1 3 306.416 3.723 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)cc1 ZINC000925778757 1030493314 /nfs/dbraw/zinc/49/33/14/1030493314.db2.gz KUNAJXUCIJFTSH-JSGCOSHPSA-N 1 3 302.796 3.626 20 0 DHADHO COc1ccc([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1C ZINC000925827807 1030511360 /nfs/dbraw/zinc/51/13/60/1030511360.db2.gz BXRVZKDDBHUAFK-UONOGXRCSA-N 1 3 313.445 3.578 20 0 DHADHO FC1(F)[C@@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000925840002 1030517268 /nfs/dbraw/zinc/51/72/68/1030517268.db2.gz UTNWAPMCJZBKGQ-AVEIZBFRSA-N 1 3 320.427 3.546 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2cccnc2)CC1)CC(C)C ZINC000358743315 1030610423 /nfs/dbraw/zinc/61/04/23/1030610423.db2.gz GXPFYTGTVCBRJK-UHFFFAOYSA-N 1 3 303.494 3.662 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2cccnc2)CC1)CC(C)C ZINC000358743315 1030610425 /nfs/dbraw/zinc/61/04/25/1030610425.db2.gz GXPFYTGTVCBRJK-UHFFFAOYSA-N 1 3 303.494 3.662 20 0 DHADHO Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)s1 ZINC000246478507 1030613644 /nfs/dbraw/zinc/61/36/44/1030613644.db2.gz GLLPNFBGYXSBJG-MAUKXSAKSA-N 1 3 304.503 3.814 20 0 DHADHO Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)s1 ZINC000246478507 1030613649 /nfs/dbraw/zinc/61/36/49/1030613649.db2.gz GLLPNFBGYXSBJG-MAUKXSAKSA-N 1 3 304.503 3.814 20 0 DHADHO CC(C)(CCN)[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246357862 1030661800 /nfs/dbraw/zinc/66/18/00/1030661800.db2.gz AXKNLGJYXDHSTH-LBPRGKRZSA-N 1 3 301.261 3.568 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000247067508 1030673509 /nfs/dbraw/zinc/67/35/09/1030673509.db2.gz VOWSEDKWVPMIGC-PZJWPPBQSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc(-c4ccccn4)c3)CC[C@H]21 ZINC000247067508 1030673519 /nfs/dbraw/zinc/67/35/19/1030673519.db2.gz VOWSEDKWVPMIGC-PZJWPPBQSA-N 1 3 321.468 3.665 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccncc1 ZINC000247440149 1030689965 /nfs/dbraw/zinc/68/99/65/1030689965.db2.gz NGWPLSGPPNTKKL-QILLFSRXSA-N 1 3 315.486 3.877 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccncc1 ZINC000247440149 1030689970 /nfs/dbraw/zinc/68/99/70/1030689970.db2.gz NGWPLSGPPNTKKL-QILLFSRXSA-N 1 3 315.486 3.877 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C12CCC2 ZINC000248409667 1030741810 /nfs/dbraw/zinc/74/18/10/1030741810.db2.gz XCTLADPRJCRXPL-KCITZHQASA-N 1 3 320.521 3.577 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000926518363 1030779829 /nfs/dbraw/zinc/77/98/29/1030779829.db2.gz HAKZQGNVWUMAQB-CQSZACIVSA-N 1 3 307.309 3.670 20 0 DHADHO CC(C)CCN1CCC([NH2+]CC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000926652835 1030842934 /nfs/dbraw/zinc/84/29/34/1030842934.db2.gz YQPBKEPHKDMBGU-CVEARBPZSA-N 1 3 304.881 3.791 20 0 DHADHO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC)c1ccccc1F ZINC000926659103 1030847198 /nfs/dbraw/zinc/84/71/98/1030847198.db2.gz AKRCMHXOHXZEMM-IHBAFOEMSA-N 1 3 320.452 3.508 20 0 DHADHO Clc1ccc(Cl)c(CNCC[C@H]2CC[NH2+]C2)c1Cl ZINC000666787311 1030848598 /nfs/dbraw/zinc/84/85/98/1030848598.db2.gz GFLSYYKMAUJNRV-SECBINFHSA-N 1 3 307.652 3.736 20 0 DHADHO CC(C)CCN1CCC([NH2+]CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC000926788979 1030927518 /nfs/dbraw/zinc/92/75/18/1030927518.db2.gz DLAMCAXUJBTQJK-IBGZPJMESA-N 1 3 322.537 3.826 20 0 DHADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000359380792 1030936535 /nfs/dbraw/zinc/93/65/35/1030936535.db2.gz RMYPTMDWMUGPRA-HNNXBMFYSA-N 1 3 310.869 3.731 20 0 DHADHO [NH3+]C1(CC2CC2)CCN([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171107532 1030971704 /nfs/dbraw/zinc/97/17/04/1030971704.db2.gz CDWNDZWUWRCRJS-SFHVURJKSA-N 1 3 318.892 3.791 20 0 DHADHO Fc1ccc(CC[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC000262017287 1031086316 /nfs/dbraw/zinc/08/63/16/1031086316.db2.gz VTOUSNLHPWQIRQ-QGZVFWFLSA-N 1 3 304.453 3.612 20 0 DHADHO Fc1ccc(CC[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC000262017287 1031086327 /nfs/dbraw/zinc/08/63/27/1031086327.db2.gz VTOUSNLHPWQIRQ-QGZVFWFLSA-N 1 3 304.453 3.612 20 0 DHADHO C[C@H](C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1)CN(C)C ZINC000293634806 1031550542 /nfs/dbraw/zinc/55/05/42/1031550542.db2.gz KKZFOBQPDKHFHO-HZSPNIEDSA-N 1 3 305.491 3.576 20 0 DHADHO C[C@H](CN[C@H](C)[C@H](C)c1nc2ccccc2s1)C[NH+](C)C ZINC000293634806 1031550553 /nfs/dbraw/zinc/55/05/53/1031550553.db2.gz KKZFOBQPDKHFHO-HZSPNIEDSA-N 1 3 305.491 3.576 20 0 DHADHO C[N@@H+]1CCC[C@]2(CCN(Cc3cccc(-c4cccnc4)c3)C2)C1 ZINC000293737452 1031595596 /nfs/dbraw/zinc/59/55/96/1031595596.db2.gz VKXARGSCIHRANV-NRFANRHFSA-N 1 3 321.468 3.666 20 0 DHADHO C[N@H+]1CCC[C@]2(CCN(Cc3cccc(-c4cccnc4)c3)C2)C1 ZINC000293737452 1031595602 /nfs/dbraw/zinc/59/56/02/1031595602.db2.gz VKXARGSCIHRANV-NRFANRHFSA-N 1 3 321.468 3.666 20 0 DHADHO C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208230 1031761059 /nfs/dbraw/zinc/76/10/59/1031761059.db2.gz FLILBNODFQUZQD-ZYHUDNBSSA-N 1 3 318.408 3.557 20 0 DHADHO CCC(CC)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000873248078 1031772576 /nfs/dbraw/zinc/77/25/76/1031772576.db2.gz ZFJOIMBKVUMOMQ-HZSPNIEDSA-N 1 3 306.416 3.865 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000846111390 1031863764 /nfs/dbraw/zinc/86/37/64/1031863764.db2.gz SOUMQJGHWYKNGD-GFCCVEGCSA-N 1 3 307.309 3.813 20 0 DHADHO Cc1ncccc1CCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000898254659 1032004671 /nfs/dbraw/zinc/00/46/71/1032004671.db2.gz FLRJVLMGXJNTDU-JXFKEZNVSA-N 1 3 315.505 3.565 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc(Cl)ccc1Cl ZINC000044535429 1032054945 /nfs/dbraw/zinc/05/49/45/1032054945.db2.gz DQPBPMJBEDEFKJ-VXGBXAGGSA-N 1 3 301.261 3.986 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1cccc(OC(F)F)c1 ZINC000539219474 1033301078 /nfs/dbraw/zinc/30/10/78/1033301078.db2.gz NJLZSHMJSXDVDS-ZFWWWQNUSA-N 1 3 312.404 3.813 20 0 DHADHO COc1ccccc1[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCCC1 ZINC000539217947 1033302505 /nfs/dbraw/zinc/30/25/05/1033302505.db2.gz OFYBSUFCTMBILJ-WRWLIDTKSA-N 1 3 316.489 3.999 20 0 DHADHO COc1ccccc1[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCC1 ZINC000539217947 1033302525 /nfs/dbraw/zinc/30/25/25/1033302525.db2.gz OFYBSUFCTMBILJ-WRWLIDTKSA-N 1 3 316.489 3.999 20 0 DHADHO C[C@@H]1[C@H]([NH2+]CC(C)(C)CN2CCCC2)C[C@H]1c1ccccc1 ZINC000477929353 1033371170 /nfs/dbraw/zinc/37/11/70/1033371170.db2.gz RERZBQKWMQHSOL-QXAKKESOSA-N 1 3 300.490 3.890 20 0 DHADHO CC[NH+]1CCC(N(C)[C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172852001 1033421675 /nfs/dbraw/zinc/42/16/75/1033421675.db2.gz DAKKHOKMQXHVRB-CYBMUJFWSA-N 1 3 312.860 3.826 20 0 DHADHO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000152384372 1033518158 /nfs/dbraw/zinc/51/81/58/1033518158.db2.gz WHOUFECTGYEPEG-UONOGXRCSA-N 1 3 324.415 3.731 20 0 DHADHO CCCOC1CCC([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CC1 ZINC001173089852 1033521506 /nfs/dbraw/zinc/52/15/06/1033521506.db2.gz AQPIDCWXSFYRFB-LPOKXYRGSA-N 1 3 310.526 3.682 20 0 DHADHO CCCOC1CCC(N2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001173095646 1033526963 /nfs/dbraw/zinc/52/69/63/1033526963.db2.gz PTYAIAUWZSOEAT-UHFFFAOYSA-N 1 3 316.489 3.674 20 0 DHADHO CC(C)[C@@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1cnn(C)c1 ZINC000927071814 1033526984 /nfs/dbraw/zinc/52/69/84/1033526984.db2.gz VDRXRNYKEIENQI-HNAYVOBHSA-N 1 3 314.477 3.530 20 0 DHADHO CC(C)[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(F)ccc1F ZINC000479362353 1033738811 /nfs/dbraw/zinc/73/88/11/1033738811.db2.gz OTMSGLLSTKHDQZ-FZKQIMNGSA-N 1 3 308.416 3.736 20 0 DHADHO CC(C)CN(Cc1ncc(C(C)C)o1)CC1CC[NH+](C)CC1 ZINC000879702464 1034093432 /nfs/dbraw/zinc/09/34/32/1034093432.db2.gz LZQNVXRIZZHHLA-UHFFFAOYSA-N 1 3 307.482 3.598 20 0 DHADHO C[C@@H](CCCC(F)(F)F)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000480174734 1034113702 /nfs/dbraw/zinc/11/37/02/1034113702.db2.gz BBFBMFWPGZZBEY-SOUVJXGZSA-N 1 3 324.431 3.587 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CCc2nc3ccccc3s2)CC1 ZINC000554877457 1034386657 /nfs/dbraw/zinc/38/66/57/1034386657.db2.gz KTCJLBMJXOXBMF-UHFFFAOYSA-N 1 3 317.502 3.691 20 0 DHADHO Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000184341738 1034465182 /nfs/dbraw/zinc/46/51/82/1034465182.db2.gz QWSOOHTVLBKQGO-UYAOXDASSA-N 1 3 323.484 3.605 20 0 DHADHO CCc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c2ccccc2n1 ZINC000555206002 1034560454 /nfs/dbraw/zinc/56/04/54/1034560454.db2.gz RJQGNOZUJMOQTI-HXUWFJFHSA-N 1 3 309.457 3.719 20 0 DHADHO CCc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c2ccccc2n1 ZINC000555206002 1034560457 /nfs/dbraw/zinc/56/04/57/1034560457.db2.gz RJQGNOZUJMOQTI-HXUWFJFHSA-N 1 3 309.457 3.719 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)C1 ZINC000481036772 1034566560 /nfs/dbraw/zinc/56/65/60/1034566560.db2.gz LHGYBANKGQTITJ-QUCCMNQESA-N 1 3 300.490 3.638 20 0 DHADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000186838600 1034667233 /nfs/dbraw/zinc/66/72/33/1034667233.db2.gz SRXFNZMLYHERSC-KBMXLJTQSA-N 1 3 314.395 3.652 20 0 DHADHO Cc1ccccc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000162865463 1034695386 /nfs/dbraw/zinc/69/53/86/1034695386.db2.gz MNJCYKSHZZIBOH-FGTMMUONSA-N 1 3 304.478 3.535 20 0 DHADHO COc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000556037179 1035023495 /nfs/dbraw/zinc/02/34/95/1035023495.db2.gz FJBNTYCYTJDJAS-AZUAARDMSA-N 1 3 310.441 3.620 20 0 DHADHO COc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000556037179 1035023505 /nfs/dbraw/zinc/02/35/05/1035023505.db2.gz FJBNTYCYTJDJAS-AZUAARDMSA-N 1 3 310.441 3.620 20 0 DHADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCN1CCCC1 ZINC000481910548 1035032777 /nfs/dbraw/zinc/03/27/77/1035032777.db2.gz AVPTZGOAHKRTIU-CQSZACIVSA-N 1 3 314.395 3.712 20 0 DHADHO C[C@@H](Cc1ccccc1)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000482014525 1035043514 /nfs/dbraw/zinc/04/35/14/1035043514.db2.gz GRUILQNJTONWJE-PXNSSMCTSA-N 1 3 300.490 3.529 20 0 DHADHO C[C@@H](Cc1ccccc1)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000482014525 1035043524 /nfs/dbraw/zinc/04/35/24/1035043524.db2.gz GRUILQNJTONWJE-PXNSSMCTSA-N 1 3 300.490 3.529 20 0 DHADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1C ZINC000482330905 1035085399 /nfs/dbraw/zinc/08/53/99/1035085399.db2.gz JDVPLIUTJIEGQF-BIENJYKASA-N 1 3 313.489 3.911 20 0 DHADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1C ZINC000482330905 1035085409 /nfs/dbraw/zinc/08/54/09/1035085409.db2.gz JDVPLIUTJIEGQF-BIENJYKASA-N 1 3 313.489 3.911 20 0 DHADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000483188235 1035240094 /nfs/dbraw/zinc/24/00/94/1035240094.db2.gz ARWZAZXLDXPLKR-KDOFPFPSSA-N 1 3 304.478 3.734 20 0 DHADHO COC1(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCCC1 ZINC000483299428 1035254873 /nfs/dbraw/zinc/25/48/73/1035254873.db2.gz UYCNRIFYFPMGPL-MSOLQXFVSA-N 1 3 308.510 3.532 20 0 DHADHO COC1(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCCC1 ZINC000483299428 1035254875 /nfs/dbraw/zinc/25/48/75/1035254875.db2.gz UYCNRIFYFPMGPL-MSOLQXFVSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@]1(C[NH3+])CCCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001206304965 1035376136 /nfs/dbraw/zinc/37/61/36/1035376136.db2.gz SEEPGRBDBYZXSS-OAHLLOKOSA-N 1 3 318.358 3.795 20 0 DHADHO C[NH+](C)CC[C@@H](NCc1cnc(-c2ccccc2)[nH]1)C(C)(C)C ZINC001177823269 1035392189 /nfs/dbraw/zinc/39/21/89/1035392189.db2.gz SMYJUWKFYQYJEP-QGZVFWFLSA-N 1 3 314.477 3.533 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NC2(c3ccc(Br)cc3)CCC2)C1 ZINC000569000456 1035670250 /nfs/dbraw/zinc/67/02/50/1035670250.db2.gz JCVSJUJHRSIJLO-HUUCEWRRSA-N 1 3 323.278 3.688 20 0 DHADHO Cc1c([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)cnn1C(C)(C)C ZINC000191293509 1035678143 /nfs/dbraw/zinc/67/81/43/1035678143.db2.gz HEXZAJCQGUQCMZ-YOEHRIQHSA-N 1 3 322.541 3.964 20 0 DHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000192795861 1035818662 /nfs/dbraw/zinc/81/86/62/1035818662.db2.gz YDIQQSBQYHRRBN-RTBURBONSA-N 1 3 323.569 3.597 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cc4ccccc4s3)CC[C@H]21 ZINC000539898630 1035925817 /nfs/dbraw/zinc/92/58/17/1035925817.db2.gz YWJLCANYSMKUCT-NVXWUHKLSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(Cc3cc4ccccc4s3)CC[C@H]21 ZINC000539898630 1035925834 /nfs/dbraw/zinc/92/58/34/1035925834.db2.gz YWJLCANYSMKUCT-NVXWUHKLSA-N 1 3 300.471 3.817 20 0 DHADHO COc1ccc([C@H]2CCC[N@@H+]2CCCN2CCCCC2)cc1 ZINC000195632267 1035934645 /nfs/dbraw/zinc/93/46/45/1035934645.db2.gz DELMTXRKZKXWST-LJQANCHMSA-N 1 3 302.462 3.708 20 0 DHADHO COc1ccc([C@H]2CCC[N@H+]2CCCN2CCCCC2)cc1 ZINC000195632267 1035934662 /nfs/dbraw/zinc/93/46/62/1035934662.db2.gz DELMTXRKZKXWST-LJQANCHMSA-N 1 3 302.462 3.708 20 0 DHADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc2ncsc2c1 ZINC000485814035 1035979236 /nfs/dbraw/zinc/97/92/36/1035979236.db2.gz PHTZPVIHWJDUGZ-HIFRSBDPSA-N 1 3 303.475 3.821 20 0 DHADHO CCc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)s1 ZINC000540171291 1035992705 /nfs/dbraw/zinc/99/27/05/1035992705.db2.gz QHUCHUSHNSMBOB-JYJNAYRXSA-N 1 3 324.534 3.851 20 0 DHADHO C[C@H](NCCc1cccc(F)c1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599140 1036375225 /nfs/dbraw/zinc/37/52/25/1036375225.db2.gz IELOYBUGIRXFNV-GOEBONIOSA-N 1 3 322.443 3.750 20 0 DHADHO C[C@H](NCCc1cccc(F)c1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599140 1036375240 /nfs/dbraw/zinc/37/52/40/1036375240.db2.gz IELOYBUGIRXFNV-GOEBONIOSA-N 1 3 322.443 3.750 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@H]2CCCS2)CC1 ZINC001183123971 1036520216 /nfs/dbraw/zinc/52/02/16/1036520216.db2.gz OSVNESILUQFHSD-NXHRZFHOSA-N 1 3 310.551 3.905 20 0 DHADHO C/C(=C\c1ccccc1C(F)(F)F)CNC[C@H](C)C[NH+](C)C ZINC000491598261 1036612000 /nfs/dbraw/zinc/61/20/00/1036612000.db2.gz DVPAGCKSBDSPQQ-SSUFTNFISA-N 1 3 314.395 3.896 20 0 DHADHO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@H](C)CN(C)C ZINC000491598261 1036612013 /nfs/dbraw/zinc/61/20/13/1036612013.db2.gz DVPAGCKSBDSPQQ-SSUFTNFISA-N 1 3 314.395 3.896 20 0 DHADHO c1cncc(-c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)c1 ZINC000153409439 1036757565 /nfs/dbraw/zinc/75/75/65/1036757565.db2.gz KDHQXCFYRLNWMX-UHFFFAOYSA-N 1 3 321.468 3.713 20 0 DHADHO CC(C)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000236711658 1036973707 /nfs/dbraw/zinc/97/37/07/1036973707.db2.gz UBTDQYHJKGMIJK-UHFFFAOYSA-N 1 3 323.484 3.507 20 0 DHADHO CCOc1ccccc1CN1CCC(C[NH+](CC)CC)CC1 ZINC000488432819 1037020291 /nfs/dbraw/zinc/02/02/91/1037020291.db2.gz FWYZMTSREUXPMF-UHFFFAOYSA-N 1 3 304.478 3.639 20 0 DHADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1C ZINC000488569028 1037077790 /nfs/dbraw/zinc/07/77/90/1037077790.db2.gz NBKSNIBICVAJKY-QFIPXVFZSA-N 1 3 322.496 3.958 20 0 DHADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c(C)c1 ZINC000488570291 1037079057 /nfs/dbraw/zinc/07/90/57/1037079057.db2.gz PRXPNGJCDSQAHT-NRFANRHFSA-N 1 3 322.496 3.958 20 0 DHADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000309715498 1037172016 /nfs/dbraw/zinc/17/20/16/1037172016.db2.gz LPMOEBLOYZBESF-GHTZIAJQSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000309715498 1037172023 /nfs/dbraw/zinc/17/20/23/1037172023.db2.gz LPMOEBLOYZBESF-GHTZIAJQSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000309715498 1037172029 /nfs/dbraw/zinc/17/20/29/1037172029.db2.gz LPMOEBLOYZBESF-GHTZIAJQSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000309715500 1037173713 /nfs/dbraw/zinc/17/37/13/1037173713.db2.gz LPMOEBLOYZBESF-NQIIRXRSSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000309715500 1037173720 /nfs/dbraw/zinc/17/37/20/1037173720.db2.gz LPMOEBLOYZBESF-NQIIRXRSSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000309715500 1037173727 /nfs/dbraw/zinc/17/37/27/1037173727.db2.gz LPMOEBLOYZBESF-NQIIRXRSSA-N 1 3 308.469 3.995 20 0 DHADHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000309949320 1037195565 /nfs/dbraw/zinc/19/55/65/1037195565.db2.gz FIAPBCZYMWFPDJ-RBUKOAKNSA-N 1 3 318.530 3.774 20 0 DHADHO COc1ccc2cc([C@H](C)N[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2c1 ZINC000322927520 1037259987 /nfs/dbraw/zinc/25/99/87/1037259987.db2.gz NMCRZXMGRGRSFP-DOXZYTNZSA-N 1 3 312.457 3.982 20 0 DHADHO COc1ccc2cc([C@H](C)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2c1 ZINC000322927520 1037260005 /nfs/dbraw/zinc/26/00/05/1037260005.db2.gz NMCRZXMGRGRSFP-DOXZYTNZSA-N 1 3 312.457 3.982 20 0 DHADHO COc1cccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)c1F ZINC000192667399 1038097813 /nfs/dbraw/zinc/09/78/13/1038097813.db2.gz AKNFXRPVTBQOQM-HNNXBMFYSA-N 1 3 308.441 3.579 20 0 DHADHO COc1cccc(CNCCCC[N@H+]2CCCC[C@@H]2C)c1F ZINC000192667399 1038097837 /nfs/dbraw/zinc/09/78/37/1038097837.db2.gz AKNFXRPVTBQOQM-HNNXBMFYSA-N 1 3 308.441 3.579 20 0 DHADHO COc1ccc(-c2ccc(CN[C@H]3CCC[C@H]([NH3+])C3)s2)cc1 ZINC000571226404 1038113341 /nfs/dbraw/zinc/11/33/41/1038113341.db2.gz OOEVMKHGYYXNIF-GJZGRUSLSA-N 1 3 316.470 3.783 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000571567412 1038171275 /nfs/dbraw/zinc/17/12/75/1038171275.db2.gz JXPFEXVTLKJURA-LRYGQEGESA-N 1 3 316.489 3.738 20 0 DHADHO COc1ccc([C@H]2CCCN2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168380429 1038190924 /nfs/dbraw/zinc/19/09/24/1038190924.db2.gz SKYOOUWPVJOMCR-HXUWFJFHSA-N 1 3 314.473 3.707 20 0 DHADHO COc1ccc([C@H](C)[NH2+]CCSC)cc1CN1CCCCC1 ZINC000775364987 1038275053 /nfs/dbraw/zinc/27/50/53/1038275053.db2.gz NSHUMDKQOSJZOA-HNNXBMFYSA-N 1 3 322.518 3.695 20 0 DHADHO CCN(Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCCO1 ZINC001190731469 1038373805 /nfs/dbraw/zinc/37/38/05/1038373805.db2.gz PSLNPWCBCLYLKF-FQEVSTJZSA-N 1 3 316.489 3.673 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCC2CC2)ccc1OC ZINC000775413252 1038390727 /nfs/dbraw/zinc/39/07/27/1038390727.db2.gz ZHPNBJWWTXXTII-OAHLLOKOSA-N 1 3 304.478 3.988 20 0 DHADHO C[C@@H]1CCN(Cc2c(F)cccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205603018 1038676581 /nfs/dbraw/zinc/67/65/81/1038676581.db2.gz MUDASNYMBGTBRO-NEPJUHHUSA-N 1 3 318.358 3.651 20 0 DHADHO NCCC[N@H+](C1CCCCC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168400088 1038752065 /nfs/dbraw/zinc/75/20/65/1038752065.db2.gz HKAPTBKMLLGENI-IBGZPJMESA-N 1 3 304.453 3.667 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168400088 1038752069 /nfs/dbraw/zinc/75/20/69/1038752069.db2.gz HKAPTBKMLLGENI-IBGZPJMESA-N 1 3 304.453 3.667 20 0 DHADHO COc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000573790548 1039083007 /nfs/dbraw/zinc/08/30/07/1039083007.db2.gz OUOJCUMFIAPZTQ-MRXNPFEDSA-N 1 3 322.880 3.512 20 0 DHADHO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)[C@H]1CCCN(C2CCC2)C1 ZINC000272668933 130050992 /nfs/dbraw/zinc/05/09/92/130050992.db2.gz JXRFNMVVSLWRKV-QAPCUYQASA-N 1 3 311.473 3.911 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(SC(F)F)cc1 ZINC000275611301 130348192 /nfs/dbraw/zinc/34/81/92/130348192.db2.gz LNVZMAQUPDMVHR-WFASDCNBSA-N 1 3 314.445 3.773 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(SC(F)F)cc1 ZINC000275611301 130348195 /nfs/dbraw/zinc/34/81/95/130348195.db2.gz LNVZMAQUPDMVHR-WFASDCNBSA-N 1 3 314.445 3.773 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(SC(F)F)cc1 ZINC000275611295 130348870 /nfs/dbraw/zinc/34/88/70/130348870.db2.gz LNVZMAQUPDMVHR-DOMZBBRYSA-N 1 3 314.445 3.773 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(SC(F)F)cc1 ZINC000275611295 130348874 /nfs/dbraw/zinc/34/88/74/130348874.db2.gz LNVZMAQUPDMVHR-DOMZBBRYSA-N 1 3 314.445 3.773 20 0 DHADHO Clc1ccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280126587 130784211 /nfs/dbraw/zinc/78/42/11/130784211.db2.gz CBAYTMIUNPYFSM-DKIMLUQUSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280126587 130784212 /nfs/dbraw/zinc/78/42/12/130784212.db2.gz CBAYTMIUNPYFSM-DKIMLUQUSA-N 1 3 304.865 3.802 20 0 DHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCOC1(C)C ZINC000340186537 131028230 /nfs/dbraw/zinc/02/82/30/131028230.db2.gz SBRUGFZZQZUROQ-QFBILLFUSA-N 1 3 316.489 3.718 20 0 DHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCOC1(C)C ZINC000340186537 131028232 /nfs/dbraw/zinc/02/82/32/131028232.db2.gz SBRUGFZZQZUROQ-QFBILLFUSA-N 1 3 316.489 3.718 20 0 DHADHO C[N@H+](Cc1ccccc1)C1CCC(NCc2nccs2)CC1 ZINC000286256219 131226625 /nfs/dbraw/zinc/22/66/25/131226625.db2.gz UPNUFFCAPFGSGC-UHFFFAOYSA-N 1 3 315.486 3.676 20 0 DHADHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2nccs2)CC1 ZINC000286256219 131226627 /nfs/dbraw/zinc/22/66/27/131226627.db2.gz UPNUFFCAPFGSGC-UHFFFAOYSA-N 1 3 315.486 3.676 20 0 DHADHO Clc1ccc2c(ccn2CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000287532285 131284747 /nfs/dbraw/zinc/28/47/47/131284747.db2.gz PAAMKYPTSZEBDS-IAGOWNOFSA-N 1 3 317.864 3.511 20 0 DHADHO Clc1ccc2c(ccn2CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000287532285 131284750 /nfs/dbraw/zinc/28/47/50/131284750.db2.gz PAAMKYPTSZEBDS-IAGOWNOFSA-N 1 3 317.864 3.511 20 0 DHADHO C[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccncc1F ZINC000340308719 131370083 /nfs/dbraw/zinc/37/00/83/131370083.db2.gz CLLMTJZRBRXLBB-GTPINHCMSA-N 1 3 319.468 3.914 20 0 DHADHO Cc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)ccc1Cl ZINC000297332386 132010644 /nfs/dbraw/zinc/01/06/44/132010644.db2.gz CWBQNWGORCJTBE-UHFFFAOYSA-N 1 3 315.848 3.802 20 0 DHADHO CSCC1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000297547383 132021745 /nfs/dbraw/zinc/02/17/45/132021745.db2.gz ZDXUSGRSJWGKNY-UHFFFAOYSA-N 1 3 319.518 3.562 20 0 DHADHO Fc1cc(Cl)ccc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000297681504 132029192 /nfs/dbraw/zinc/02/91/92/132029192.db2.gz PHOBAOCNDZJALK-UHFFFAOYSA-N 1 3 319.811 3.633 20 0 DHADHO c1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298505012 132066014 /nfs/dbraw/zinc/06/60/14/132066014.db2.gz QPYAFIDKFBEOFK-LJQANCHMSA-N 1 3 323.440 3.554 20 0 DHADHO c1ccc(OCCCCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000525874195 335088097 /nfs/dbraw/zinc/08/80/97/335088097.db2.gz VQSIWTLYPXYOLK-LJQANCHMSA-N 1 3 316.489 3.796 20 0 DHADHO CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000569395656 332075301 /nfs/dbraw/zinc/07/53/01/332075301.db2.gz DVYQZPZKXGVNSN-VQIMIIECSA-N 1 3 313.489 3.880 20 0 DHADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000559753674 332279305 /nfs/dbraw/zinc/27/93/05/332279305.db2.gz PEOAKRBZFITWDR-LJQANCHMSA-N 1 3 316.489 3.830 20 0 DHADHO CCCCN(C)C[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000559858792 332285998 /nfs/dbraw/zinc/28/59/98/332285998.db2.gz VUWYZSRXAITMOF-DFQSSKMNSA-N 1 3 317.521 3.532 20 0 DHADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 ZINC000559867243 332287263 /nfs/dbraw/zinc/28/72/63/332287263.db2.gz QMZJJDHBBUZWAC-RZDIXWSQSA-N 1 3 304.453 3.924 20 0 DHADHO CCC[NH+]1CCC(N[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000560252458 332324009 /nfs/dbraw/zinc/32/40/09/332324009.db2.gz WQDYRKTWSWFXFS-RTBURBONSA-N 1 3 316.489 3.697 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Oc1cccc(C)c1 ZINC000560544663 332356222 /nfs/dbraw/zinc/35/62/22/332356222.db2.gz RYGIRRFBSKIMNS-AFYVEPGGSA-N 1 3 316.489 3.615 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Oc1cccc(C)c1 ZINC000560544663 332356223 /nfs/dbraw/zinc/35/62/23/332356223.db2.gz RYGIRRFBSKIMNS-AFYVEPGGSA-N 1 3 316.489 3.615 20 0 DHADHO CSC1(C[NH2+][C@H](C)c2cc3c(s2)CCC3)CCN(C)CC1 ZINC000569860915 332687407 /nfs/dbraw/zinc/68/74/07/332687407.db2.gz GQKKKCWEZJWISE-CYBMUJFWSA-N 1 3 324.559 3.715 20 0 DHADHO CC(C)[N@H+](C)CC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000518776738 333148506 /nfs/dbraw/zinc/14/85/06/333148506.db2.gz LLIFNXJJVHQUPV-UHFFFAOYSA-N 1 3 311.473 3.787 20 0 DHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000518776738 333148508 /nfs/dbraw/zinc/14/85/08/333148508.db2.gz LLIFNXJJVHQUPV-UHFFFAOYSA-N 1 3 311.473 3.787 20 0 DHADHO CCc1ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000390718551 333319342 /nfs/dbraw/zinc/31/93/42/333319342.db2.gz MEQFQCFSNSDDHN-NRFANRHFSA-N 1 3 308.469 3.861 20 0 DHADHO CCc1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000390718551 333319344 /nfs/dbraw/zinc/31/93/44/333319344.db2.gz MEQFQCFSNSDDHN-NRFANRHFSA-N 1 3 308.469 3.861 20 0 DHADHO c1csc(CN2CCC(C[NH2+][C@@H]3CCC34CCC4)CC2)c1 ZINC000337416636 333448473 /nfs/dbraw/zinc/44/84/73/333448473.db2.gz ZNAONYQLJUKQAG-QGZVFWFLSA-N 1 3 304.503 3.882 20 0 DHADHO CC(C)Oc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000534332163 333577819 /nfs/dbraw/zinc/57/78/19/333577819.db2.gz VUVFHRGDZZORBG-UHFFFAOYSA-N 1 3 316.489 3.782 20 0 DHADHO C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000414280386 333932789 /nfs/dbraw/zinc/93/27/89/333932789.db2.gz CZLIKZMOSZUDOR-BMGDILEWSA-N 1 3 308.441 3.558 20 0 DHADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000414539971 334012988 /nfs/dbraw/zinc/01/29/88/334012988.db2.gz SZLKLRLQLOHTJQ-MSOLQXFVSA-N 1 3 301.478 3.855 20 0 DHADHO Cc1ccc(COc2ccc(CN3CCC(C[NH3+])CC3)cc2)cc1 ZINC000414656580 334057373 /nfs/dbraw/zinc/05/73/73/334057373.db2.gz NLCFSLDHKFDVIX-UHFFFAOYSA-N 1 3 324.468 3.745 20 0 DHADHO Cc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F ZINC000414659602 334059435 /nfs/dbraw/zinc/05/94/35/334059435.db2.gz LHGGLBIFGUMOHL-OFQRWUPVSA-N 1 3 312.379 3.573 20 0 DHADHO C[C@@H](N)[C@@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414657638 334059615 /nfs/dbraw/zinc/05/96/15/334059615.db2.gz HVYOIIHOHFBGEV-XMSQKQJNSA-N 1 3 322.496 3.757 20 0 DHADHO C[C@@H](N)[C@@H]1CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414657638 334059616 /nfs/dbraw/zinc/05/96/16/334059616.db2.gz HVYOIIHOHFBGEV-XMSQKQJNSA-N 1 3 322.496 3.757 20 0 DHADHO Cc1ccc(COc2ccc(CN3CC[C@H]([C@H](C)[NH3+])C3)cc2)cc1 ZINC000414662805 334060997 /nfs/dbraw/zinc/06/09/97/334060997.db2.gz QNFWGHMAZZVLAG-PXNSSMCTSA-N 1 3 324.468 3.743 20 0 DHADHO CC(C)[C@H]([NH3+])CN[C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414800604 334101476 /nfs/dbraw/zinc/10/14/76/334101476.db2.gz SFSIRAOGUZEPNR-SWLSCSKDSA-N 1 3 302.384 3.599 20 0 DHADHO CCC([NH3+])(CC)CNC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414806060 334103525 /nfs/dbraw/zinc/10/35/25/334103525.db2.gz HALRVDRZGMFEFP-LBPRGKRZSA-N 1 3 302.384 3.916 20 0 DHADHO CCC([NH3+])(CC)CN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414813848 334105999 /nfs/dbraw/zinc/10/59/99/334105999.db2.gz UQNZGFBCWLYMHE-LBPRGKRZSA-N 1 3 302.384 3.744 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414822227 334108283 /nfs/dbraw/zinc/10/82/83/334108283.db2.gz MVQUUADYFRMNAB-AGIUHOORSA-N 1 3 300.899 3.700 20 0 DHADHO Clc1cccc(Cl)c1CCC[NH2+]C[C@H]1CCCNC1 ZINC000414852671 334127151 /nfs/dbraw/zinc/12/71/51/334127151.db2.gz KFRXYXLRYWTEIZ-LBPRGKRZSA-N 1 3 301.261 3.515 20 0 DHADHO Clc1cccc(Cl)c1CCCNC[C@H]1CCC[NH2+]C1 ZINC000414852671 334127153 /nfs/dbraw/zinc/12/71/53/334127153.db2.gz KFRXYXLRYWTEIZ-LBPRGKRZSA-N 1 3 301.261 3.515 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414915740 334177322 /nfs/dbraw/zinc/17/73/22/334177322.db2.gz NAZCIQTUYSJLBA-DOMZBBRYSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@H](CN[C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414915740 334177323 /nfs/dbraw/zinc/17/73/23/334177323.db2.gz NAZCIQTUYSJLBA-DOMZBBRYSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414926154 334187807 /nfs/dbraw/zinc/18/78/07/334187807.db2.gz MQIGCHKCWXQXBC-GRYCIOLGSA-N 1 3 301.261 3.784 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414926154 334187808 /nfs/dbraw/zinc/18/78/08/334187808.db2.gz MQIGCHKCWXQXBC-GRYCIOLGSA-N 1 3 301.261 3.784 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCc2cc(N)ccc21 ZINC000414927784 334190013 /nfs/dbraw/zinc/19/00/13/334190013.db2.gz MLIJTECDHXPNIY-DKSSEZFCSA-N 1 3 301.478 3.547 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414930336 334193997 /nfs/dbraw/zinc/19/39/97/334193997.db2.gz ANBPRYYMAUQEFQ-CJNGLKHVSA-N 1 3 314.395 3.616 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000414933313 334196422 /nfs/dbraw/zinc/19/64/22/334196422.db2.gz DPOYVTBEVXPOSA-KNTRFNDTSA-N 1 3 316.489 3.698 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000414941604 334202665 /nfs/dbraw/zinc/20/26/65/334202665.db2.gz LSJDREOBHLLXAU-QIJUGHKUSA-N 1 3 322.496 3.818 20 0 DHADHO C[C@H](CN[C@H]1CCC[NH2+][C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000414955600 334208072 /nfs/dbraw/zinc/20/80/72/334208072.db2.gz OSFFEASNJUPSSG-JMSVASOKSA-N 1 3 300.368 3.539 20 0 DHADHO C[C@H]1CNCC[C@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414957176 334208745 /nfs/dbraw/zinc/20/87/45/334208745.db2.gz NWSWUUJOYCSYLA-BLLLJJGKSA-N 1 3 304.434 3.642 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](CNCc2ccc(F)c(Cl)c2Cl)C1 ZINC000415000386 334239637 /nfs/dbraw/zinc/23/96/37/334239637.db2.gz KFFHWWBRYDAMGM-KOLCDFICSA-N 1 3 305.224 3.740 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](CNCc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415002664 334240540 /nfs/dbraw/zinc/24/05/40/334240540.db2.gz WDWPNWVXUCYYRF-GXFFZTMASA-N 1 3 320.786 3.966 20 0 DHADHO C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000415007949 334250410 /nfs/dbraw/zinc/25/04/10/334250410.db2.gz RZNKVCXLNDLMPU-IAAVTCLWSA-N 1 3 304.453 3.687 20 0 DHADHO C[C@H](CCCC[NH3+])NCc1cc(Br)ccc1Cl ZINC000415012491 334258276 /nfs/dbraw/zinc/25/82/76/334258276.db2.gz IZSBXIUBRQBPMG-SNVBAGLBSA-N 1 3 319.674 3.710 20 0 DHADHO [NH3+]C[C@H]1CC[C@H](CNCc2nc(-c3ccccc3)cs2)CC1 ZINC000415024909 334259920 /nfs/dbraw/zinc/25/99/20/334259920.db2.gz OLDYNLVNRCFHAK-SHTZXODSSA-N 1 3 315.486 3.665 20 0 DHADHO [NH3+]CCC[C@@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000415058530 334262134 /nfs/dbraw/zinc/26/21/34/334262134.db2.gz TXZXIYJJEJDPNJ-LJQANCHMSA-N 1 3 320.440 3.647 20 0 DHADHO [NH3+]CCC[C@@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000415058530 334262135 /nfs/dbraw/zinc/26/21/35/334262135.db2.gz TXZXIYJJEJDPNJ-LJQANCHMSA-N 1 3 320.440 3.647 20 0 DHADHO [NH3+]CCC[C@@H](NCc1ccc2ncccc2c1)c1ccccc1 ZINC000415064106 334262382 /nfs/dbraw/zinc/26/23/82/334262382.db2.gz JSNPCGSBTBTYQT-LJQANCHMSA-N 1 3 305.425 3.805 20 0 DHADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCCC[NH3+] ZINC000415080091 334269828 /nfs/dbraw/zinc/26/98/28/334269828.db2.gz KZZCNWLAUPAMCG-JTQLQIEISA-N 1 3 309.866 3.771 20 0 DHADHO [NH3+]C1CCC(N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000415080745 334271375 /nfs/dbraw/zinc/27/13/75/334271375.db2.gz JOSGOBOTZHZSBU-RUXDESIVSA-N 1 3 304.331 3.679 20 0 DHADHO COc1ccccc1[C@H](NC1CCC([NH3+])CC1)c1ccccc1 ZINC000415088431 334277264 /nfs/dbraw/zinc/27/72/64/334277264.db2.gz LYGDCYUXYUQJDZ-LBXVMSDZSA-N 1 3 310.441 3.644 20 0 DHADHO COc1ccccc1[C@@H](NC1CCC([NH3+])CC1)c1ccccc1 ZINC000415088434 334277272 /nfs/dbraw/zinc/27/72/72/334277272.db2.gz LYGDCYUXYUQJDZ-UHYCVJNDSA-N 1 3 310.441 3.644 20 0 DHADHO C[C@@H]1C[C@@H](CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[NH2+]1 ZINC000415089732 334279695 /nfs/dbraw/zinc/27/96/95/334279695.db2.gz WQLIYMVHCJBSJO-XUJVJEKNSA-N 1 3 318.358 3.797 20 0 DHADHO c1sc2ccccc2c1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415089870 334279916 /nfs/dbraw/zinc/27/99/16/334279916.db2.gz YIIFKFVYIKWVDZ-KSZLIROESA-N 1 3 314.498 3.954 20 0 DHADHO COc1ccccc1[C@H](NC1CCC(C[NH3+])CC1)c1ccccc1 ZINC000415092076 334280455 /nfs/dbraw/zinc/28/04/55/334280455.db2.gz RZJMLMRYAKTBFZ-QYGXFBIXSA-N 1 3 324.468 3.892 20 0 DHADHO CCOCc1ccccc1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415097767 334281260 /nfs/dbraw/zinc/28/12/60/334281260.db2.gz DKKYFQJMHSLSQC-RTWAWAEBSA-N 1 3 324.468 3.806 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415128856 334285367 /nfs/dbraw/zinc/28/53/67/334285367.db2.gz OJUUVVBLCXRVEH-LPHOPBHVSA-N 1 3 324.468 3.779 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(Oc2ccccc2)cc1 ZINC000531962006 334312633 /nfs/dbraw/zinc/31/26/33/334312633.db2.gz KUEKSKZEQOGWFZ-OXQOHEQNSA-N 1 3 310.441 3.909 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(Oc2ccccc2)cc1 ZINC000531962006 334312634 /nfs/dbraw/zinc/31/26/34/334312634.db2.gz KUEKSKZEQOGWFZ-OXQOHEQNSA-N 1 3 310.441 3.909 20 0 DHADHO CC(C)(C)c1ncc(CNCCCCC[NH+]2CCCCC2)cn1 ZINC000342728726 334569613 /nfs/dbraw/zinc/56/96/13/334569613.db2.gz OCDOAQUYXFPXKM-UHFFFAOYSA-N 1 3 318.509 3.520 20 0 DHADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](c1ccc(C)o1)C1CCCC1 ZINC000342791994 334571755 /nfs/dbraw/zinc/57/17/55/334571755.db2.gz GBGNYWSDBYMHEJ-IEBWSBKVSA-N 1 3 322.493 3.766 20 0 DHADHO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342822047 334581215 /nfs/dbraw/zinc/58/12/15/334581215.db2.gz FGSCMVQYEWRYIA-CVEARBPZSA-N 1 3 304.478 3.684 20 0 DHADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417324371 334708478 /nfs/dbraw/zinc/70/84/78/334708478.db2.gz CMNLBQQOLZWQRU-OWCLPIDISA-N 1 3 306.519 3.952 20 0 DHADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(CN(C)C)c2)C12CCCC2 ZINC000344106432 335223685 /nfs/dbraw/zinc/22/36/85/335223685.db2.gz JXNLZZHWZDDNRZ-RTBURBONSA-N 1 3 316.489 3.576 20 0 DHADHO CC[C@@H](NCC1=CC[N@H+](C)CC1)c1cc(Cl)ccc1OC ZINC000344340798 335242667 /nfs/dbraw/zinc/24/26/67/335242667.db2.gz ZILYFALEAGPMRO-MRXNPFEDSA-N 1 3 308.853 3.651 20 0 DHADHO CC[C@@H](NCC1=CC[N@@H+](C)CC1)c1cc(Cl)ccc1OC ZINC000344340798 335242669 /nfs/dbraw/zinc/24/26/69/335242669.db2.gz ZILYFALEAGPMRO-MRXNPFEDSA-N 1 3 308.853 3.651 20 0 DHADHO CC[N@@H+]1CC[C@H](NCc2cccc(-c3cccnc3)c2)[C@@H](C)C1 ZINC000344527159 335255283 /nfs/dbraw/zinc/25/52/83/335255283.db2.gz AORNAIVHTHJGCE-JXFKEZNVSA-N 1 3 309.457 3.569 20 0 DHADHO CC[N@H+]1CC[C@H](NCc2cccc(-c3cccnc3)c2)[C@@H](C)C1 ZINC000344527159 335255285 /nfs/dbraw/zinc/25/52/85/335255285.db2.gz AORNAIVHTHJGCE-JXFKEZNVSA-N 1 3 309.457 3.569 20 0 DHADHO COc1cccc2c1CC[C@H]2NCc1ccc(C[NH+](C)C)cc1 ZINC000344843710 335279321 /nfs/dbraw/zinc/27/93/21/335279321.db2.gz XKQMDNDKWGBMLF-LJQANCHMSA-N 1 3 310.441 3.534 20 0 DHADHO Cc1ccc(OC2CC[NH+](CC[C@@H]3CCCCN3C)CC2)cc1 ZINC000351473482 336036339 /nfs/dbraw/zinc/03/63/39/336036339.db2.gz VGXHSAVPJXSDRY-SFHVURJKSA-N 1 3 316.489 3.713 20 0 DHADHO Cc1cccnc1[C@H]1CCC[C@H](NCC2([NH3+])CCCCC2)C1 ZINC000333337874 336202054 /nfs/dbraw/zinc/20/20/54/336202054.db2.gz XKSJMXSTFKSCIG-IRXDYDNUSA-N 1 3 301.478 3.667 20 0 DHADHO CC[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000352567242 336224940 /nfs/dbraw/zinc/22/49/40/336224940.db2.gz ILRVGQBASKKHBZ-WBVHZDCISA-N 1 3 307.457 3.774 20 0 DHADHO CC[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000352567242 336224941 /nfs/dbraw/zinc/22/49/41/336224941.db2.gz ILRVGQBASKKHBZ-WBVHZDCISA-N 1 3 307.457 3.774 20 0 DHADHO FCCCCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352829480 336267516 /nfs/dbraw/zinc/26/75/16/336267516.db2.gz GPMPBXGZPLHFTQ-IBGZPJMESA-N 1 3 304.453 3.724 20 0 DHADHO FCCCCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352829480 336267517 /nfs/dbraw/zinc/26/75/17/336267517.db2.gz GPMPBXGZPLHFTQ-IBGZPJMESA-N 1 3 304.453 3.724 20 0 DHADHO CSc1ccc(CNCc2ccc(C[NH+](C)C)cc2)s1 ZINC000352833984 336271193 /nfs/dbraw/zinc/27/11/93/336271193.db2.gz JTRSEVQYDPQCIK-UHFFFAOYSA-N 1 3 306.500 3.821 20 0 DHADHO Cc1nc2ccccc2c(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000302109862 336348968 /nfs/dbraw/zinc/34/89/68/336348968.db2.gz ZAPLCRWEVMCJQG-LPHOPBHVSA-N 1 3 309.457 3.772 20 0 DHADHO Cc1nc2ccccc2c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000302109862 336348969 /nfs/dbraw/zinc/34/89/69/336348969.db2.gz ZAPLCRWEVMCJQG-LPHOPBHVSA-N 1 3 309.457 3.772 20 0 DHADHO COc1ccc([C@H](CNc2cc[nH+]c(C)c2)N2CCCC2)cc1 ZINC000302276096 336356631 /nfs/dbraw/zinc/35/66/31/336356631.db2.gz HWHSGBQRUBUPRZ-IBGZPJMESA-N 1 3 311.429 3.648 20 0 DHADHO Cc1cc(NC[C@H]2CCCN(C)[C@H]2c2cccs2)cc[nH+]1 ZINC000302545141 336361311 /nfs/dbraw/zinc/36/13/11/336361311.db2.gz GSGIQRZHGXEEMK-RHSMWYFYSA-N 1 3 301.459 3.947 20 0 DHADHO Cc1cc(NC[C@H]2CCCN(C)[C@@H]2c2cccs2)cc[nH+]1 ZINC000302545139 336361380 /nfs/dbraw/zinc/36/13/80/336361380.db2.gz GSGIQRZHGXEEMK-PBHICJAKSA-N 1 3 301.459 3.947 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000563976848 336389331 /nfs/dbraw/zinc/38/93/31/336389331.db2.gz VVGXATMSFCZBAZ-KZNAEPCWSA-N 1 3 322.880 3.667 20 0 DHADHO CCCC[C@H](N)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000353508345 336421418 /nfs/dbraw/zinc/42/14/18/336421418.db2.gz NLFXDTDEVPADDD-SFHVURJKSA-N 1 3 317.477 3.519 20 0 DHADHO CO[C@H](C)[C@@H](C)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000361387078 336754803 /nfs/dbraw/zinc/75/48/03/336754803.db2.gz SKIDPKKEAISUNY-IAGOWNOFSA-N 1 3 304.478 3.576 20 0 DHADHO C(CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)CC1CCOCC1 ZINC000375598674 337014194 /nfs/dbraw/zinc/01/41/94/337014194.db2.gz QLQYCQHMCQHKGP-UYAOXDASSA-N 1 3 320.521 3.532 20 0 DHADHO C(CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)CC1CCOCC1 ZINC000375598674 337014195 /nfs/dbraw/zinc/01/41/95/337014195.db2.gz QLQYCQHMCQHKGP-UYAOXDASSA-N 1 3 320.521 3.532 20 0 DHADHO Cc1ccc(CNC[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000377759337 337060227 /nfs/dbraw/zinc/06/02/27/337060227.db2.gz GCVUEEQCAHJBFU-SJLPKXTDSA-N 1 3 300.471 3.839 20 0 DHADHO Cc1ccc(CNC[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000377759337 337060228 /nfs/dbraw/zinc/06/02/28/337060228.db2.gz GCVUEEQCAHJBFU-SJLPKXTDSA-N 1 3 300.471 3.839 20 0 DHADHO Cc1csc(C2CC[NH+](CC[C@H]3CCCCN3C)CC2)n1 ZINC000378160814 337067471 /nfs/dbraw/zinc/06/74/71/337067471.db2.gz OIGYFKDOEGKZQK-MRXNPFEDSA-N 1 3 307.507 3.505 20 0 DHADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CCO1 ZINC000378401370 337071888 /nfs/dbraw/zinc/07/18/88/337071888.db2.gz JYDZXWCHVDWTCT-SJLPKXTDSA-N 1 3 308.510 3.577 20 0 DHADHO Cc1nc2ccccc2c(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000582551432 337104260 /nfs/dbraw/zinc/10/42/60/337104260.db2.gz TYBMBEXXWAHKDJ-FQEVSTJZSA-N 1 3 309.457 3.774 20 0 DHADHO Cc1nc2ccccc2c(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C ZINC000582551432 337104261 /nfs/dbraw/zinc/10/42/61/337104261.db2.gz TYBMBEXXWAHKDJ-FQEVSTJZSA-N 1 3 309.457 3.774 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccncc1 ZINC000174158175 337139615 /nfs/dbraw/zinc/13/96/15/337139615.db2.gz NGWPLSGPPNTKKL-HFTRVMKXSA-N 1 3 315.486 3.877 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccncc1 ZINC000174158175 337139616 /nfs/dbraw/zinc/13/96/16/337139616.db2.gz NGWPLSGPPNTKKL-HFTRVMKXSA-N 1 3 315.486 3.877 20 0 DHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(NC(C)=O)cc2)CC1 ZINC000182029905 337185866 /nfs/dbraw/zinc/18/58/66/337185866.db2.gz ODYFLSNWNYOJGV-OAHLLOKOSA-N 1 3 317.477 3.560 20 0 DHADHO COCCC1(C[NH2+]C2CCN(C3CCCC3)CC2)CCCCC1 ZINC000186881506 337260830 /nfs/dbraw/zinc/26/08/30/337260830.db2.gz YYBCTFCWOXBMRV-UHFFFAOYSA-N 1 3 322.537 3.970 20 0 DHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1 ZINC000398000930 337303556 /nfs/dbraw/zinc/30/35/56/337303556.db2.gz VZTUWMXLZCSXJH-RXVVDRJESA-N 1 3 324.468 3.566 20 0 DHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1 ZINC000398000930 337303557 /nfs/dbraw/zinc/30/35/57/337303557.db2.gz VZTUWMXLZCSXJH-RXVVDRJESA-N 1 3 324.468 3.566 20 0 DHADHO Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398144232 337307103 /nfs/dbraw/zinc/30/71/03/337307103.db2.gz NIWLZNYMUCHYSW-NQIIRXRSSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398144232 337307104 /nfs/dbraw/zinc/30/71/04/337307104.db2.gz NIWLZNYMUCHYSW-NQIIRXRSSA-N 1 3 308.469 3.995 20 0 DHADHO C/C(=C/c1ccccc1OC(F)F)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000584439449 337325719 /nfs/dbraw/zinc/32/57/19/337325719.db2.gz WKXTZKSSCFOOEN-PXXUHZIESA-N 1 3 324.415 3.764 20 0 DHADHO C/C(=C/c1ccccc1OC(F)F)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000584439449 337325720 /nfs/dbraw/zinc/32/57/20/337325720.db2.gz WKXTZKSSCFOOEN-PXXUHZIESA-N 1 3 324.415 3.764 20 0 DHADHO [NH3+]CCC1CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000584533656 337357485 /nfs/dbraw/zinc/35/74/85/337357485.db2.gz IPNXTJIUAXAEBW-UHFFFAOYSA-N 1 3 302.462 3.569 20 0 DHADHO COc1ccccc1[C@@H](CNc1cc[nH+]cc1C)N1CCCC1 ZINC000195334332 337467764 /nfs/dbraw/zinc/46/77/64/337467764.db2.gz AWRYYUFKZUGFGQ-GOSISDBHSA-N 1 3 311.429 3.648 20 0 DHADHO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1cccc(OCCN(C)C)c1 ZINC000429447655 337492285 /nfs/dbraw/zinc/49/22/85/337492285.db2.gz JXARPQCPTBZHBG-MAUKXSAKSA-N 1 3 302.462 3.610 20 0 DHADHO FC(F)(F)c1cccc([C@H](NC[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420391902 337500518 /nfs/dbraw/zinc/50/05/18/337500518.db2.gz BFWXDWRINWZFFA-MLGOLLRUSA-N 1 3 312.379 3.746 20 0 DHADHO C[C@H](c1ccc(Cl)cc1)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420393416 337500552 /nfs/dbraw/zinc/50/05/52/337500552.db2.gz QKQYXIVWGYGPPW-XWIAVFTESA-N 1 3 322.880 3.619 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422710074 337683695 /nfs/dbraw/zinc/68/36/95/337683695.db2.gz KVWFVYGUUIGCOK-OKZBNKHCSA-N 1 3 304.453 3.614 20 0 DHADHO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C1CC1 ZINC000422712383 337683748 /nfs/dbraw/zinc/68/37/48/337683748.db2.gz NXVJDAKOIATQAE-YWZLYKJASA-N 1 3 309.457 3.959 20 0 DHADHO Cc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(CN)nc3C)c21 ZINC000422720611 337684134 /nfs/dbraw/zinc/68/41/34/337684134.db2.gz SUNAHGLQUWKNAR-CQSZACIVSA-N 1 3 322.456 3.532 20 0 DHADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000422734163 337684566 /nfs/dbraw/zinc/68/45/66/337684566.db2.gz SCUNBVMFGKEJPE-VHSXEESVSA-N 1 3 323.239 3.537 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCn1ccc2ccccc21 ZINC000422772394 337685853 /nfs/dbraw/zinc/68/58/53/337685853.db2.gz YGTQWVMSXYLZHE-OAHLLOKOSA-N 1 3 322.456 3.544 20 0 DHADHO [NH3+][C@@H]1C[C@H](N[C@H](CN2CCCC2)c2ccccc2)c2ccccc21 ZINC000422808004 337687495 /nfs/dbraw/zinc/68/74/95/337687495.db2.gz PQIFBSDZCOEPEB-QHAWAJNXSA-N 1 3 321.468 3.558 20 0 DHADHO CC[C@H](N[C@H](C)CCCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422812148 337687886 /nfs/dbraw/zinc/68/78/86/337687886.db2.gz PZUDNTUMOZLXQT-ZJUUUORDSA-N 1 3 309.401 3.720 20 0 DHADHO COc1ccc(-c2ccc(CN[C@H]3CCC[C@H]3C[NH3+])s2)cc1 ZINC000422829867 337688262 /nfs/dbraw/zinc/68/82/62/337688262.db2.gz VBXOKOQEALZMKU-YOEHRIQHSA-N 1 3 316.470 3.641 20 0 DHADHO C[C@@H](CCCC[NH3+])NCc1csc(CCc2ccccc2)n1 ZINC000422854330 337688897 /nfs/dbraw/zinc/68/88/97/337688897.db2.gz UCSRIYYLQAMGBD-HNNXBMFYSA-N 1 3 317.502 3.535 20 0 DHADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCCC1 ZINC000422891308 337690312 /nfs/dbraw/zinc/69/03/12/337690312.db2.gz VCVWJNCUXYBKEM-GUDVDZBRSA-N 1 3 322.537 3.874 20 0 DHADHO c1ccc2c(c1)cccc2CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422940164 337692668 /nfs/dbraw/zinc/69/26/68/337692668.db2.gz SEHMWOZDKSDGNW-PWRODBHTSA-N 1 3 308.469 3.893 20 0 DHADHO Fc1ccc(CC2(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422988452 337693782 /nfs/dbraw/zinc/69/37/82/337693782.db2.gz KNBDAKQCFJNTND-GUDVDZBRSA-N 1 3 316.464 3.659 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423012421 337695601 /nfs/dbraw/zinc/69/56/01/337695601.db2.gz KUYCNBGBSKMIOO-NWDGAFQWSA-N 1 3 323.893 3.721 20 0 DHADHO CCC(CC)[C@@H]1C[C@H](N[C@@H](C)C[C@H]2CCCCC[NH2+]2)CCO1 ZINC000423036592 337696597 /nfs/dbraw/zinc/69/65/97/337696597.db2.gz ARKVTNQTXHOYFX-AITUJVMLSA-N 1 3 310.526 3.871 20 0 DHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423083256 337698531 /nfs/dbraw/zinc/69/85/31/337698531.db2.gz YLUGCBLTKCFPRC-OJAHFUOMSA-N 1 3 316.489 3.665 20 0 DHADHO Fc1ccccc1[C@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423092785 337699087 /nfs/dbraw/zinc/69/90/87/337699087.db2.gz DLNNBGWCYYRYPB-FRFIEDCNSA-N 1 3 302.437 3.582 20 0 DHADHO Cc1cc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423134184 337701059 /nfs/dbraw/zinc/70/10/59/337701059.db2.gz DLYRZKOGSIKKLG-KBAYOESNSA-N 1 3 306.881 3.701 20 0 DHADHO Cc1cc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)ccc1Cl ZINC000423140579 337701446 /nfs/dbraw/zinc/70/14/46/337701446.db2.gz MSUULVZJLHABGR-ZDUSSCGKSA-N 1 3 317.864 3.704 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423140134 337701450 /nfs/dbraw/zinc/70/14/50/337701450.db2.gz XLUBMWHSSGOXAM-ARFHVFGLSA-N 1 3 314.395 3.830 20 0 DHADHO CC[C@]1(C(C)C)C[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423157425 337701945 /nfs/dbraw/zinc/70/19/45/337701945.db2.gz BAECQSABLVDNTO-IJXRJRJASA-N 1 3 314.473 3.657 20 0 DHADHO Fc1ccc([C@H](NCC[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423261381 337707946 /nfs/dbraw/zinc/70/79/46/337707946.db2.gz SBOZSZRQWNERAV-OXQOHEQNSA-N 1 3 312.432 3.894 20 0 DHADHO Cc1ccc(OC(F)F)c([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423284511 337709396 /nfs/dbraw/zinc/70/93/96/337709396.db2.gz YENLTQBZGOYPKF-GUTXKFCHSA-N 1 3 312.404 3.765 20 0 DHADHO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)CN)cc1 ZINC000423303964 337711242 /nfs/dbraw/zinc/71/12/42/337711242.db2.gz XVEIJPFUFIRWSF-DLBZAZTESA-N 1 3 304.478 3.537 20 0 DHADHO C[C@@H](C[NH3+])CN[C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000423316377 337711693 /nfs/dbraw/zinc/71/16/93/337711693.db2.gz ZZGMHUMXPSLCQM-WFASDCNBSA-N 1 3 308.878 3.870 20 0 DHADHO [NH3+]CCCCN[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423327313 337712061 /nfs/dbraw/zinc/71/20/61/337712061.db2.gz MTZLOUTUZFBQQP-QGZVFWFLSA-N 1 3 306.812 3.897 20 0 DHADHO C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423334378 337712597 /nfs/dbraw/zinc/71/25/97/337712597.db2.gz IGYHQPLHXXZWDB-IATRGZMQSA-N 1 3 312.910 3.873 20 0 DHADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423376911 337717278 /nfs/dbraw/zinc/71/72/78/337717278.db2.gz JHCAGQZVDDNQGJ-FQEVSTJZSA-N 1 3 312.432 3.786 20 0 DHADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@H](N)C2)cc1F ZINC000423387431 337718085 /nfs/dbraw/zinc/71/80/85/337718085.db2.gz MRLFZUCXZKCJBY-OVWQWFNUSA-N 1 3 320.452 3.720 20 0 DHADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(SCC(F)F)cc1 ZINC000423388214 337718149 /nfs/dbraw/zinc/71/81/49/337718149.db2.gz NHKHLUZRHKUXAL-YUTCNCBUSA-N 1 3 314.445 3.964 20 0 DHADHO [NH3+]CCC[C@@H](N[C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000423501593 337723297 /nfs/dbraw/zinc/72/32/97/337723297.db2.gz CXNRNPNNMFIGJB-RTBURBONSA-N 1 3 310.441 3.839 20 0 DHADHO C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000423522118 337724554 /nfs/dbraw/zinc/72/45/54/337724554.db2.gz XKWHNXVTVPJINY-GZBFAFLISA-N 1 3 301.459 3.588 20 0 DHADHO COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCCNC2CC2)cc1F ZINC000423533504 337724683 /nfs/dbraw/zinc/72/46/83/337724683.db2.gz XQNYKQKUZFDQMN-SJLPKXTDSA-N 1 3 320.452 3.592 20 0 DHADHO COc1ccc([C@@H](NCCC[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423480823 337724811 /nfs/dbraw/zinc/72/48/11/337724811.db2.gz NNWWVZPSVFSNFC-CTNGQTDRSA-N 1 3 324.468 3.906 20 0 DHADHO Clc1cc2c(c(Cl)c1)[C@@H](NCCC1=CC[NH2+]CC1)CC2 ZINC000423537897 337725083 /nfs/dbraw/zinc/72/50/83/337725083.db2.gz LHVCLLPTOMKSTG-HNNXBMFYSA-N 1 3 311.256 3.880 20 0 DHADHO Fc1ccc([C@H](NCCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423543322 337725289 /nfs/dbraw/zinc/72/52/89/337725289.db2.gz UZKWSZCYPWLLKG-HXUWFJFHSA-N 1 3 310.416 3.815 20 0 DHADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc(C[NH+](C)C)c1 ZINC000123733473 337908390 /nfs/dbraw/zinc/90/83/90/337908390.db2.gz NMQYYJJASNQYPR-JLTOFOAXSA-N 1 3 312.432 3.910 20 0 DHADHO CC[C@@H](NCc1ccccc1OCC[NH+](C)C)c1cccs1 ZINC000122326704 337913867 /nfs/dbraw/zinc/91/38/67/337913867.db2.gz PXVLNQARUPDKTP-MRXNPFEDSA-N 1 3 318.486 3.929 20 0 DHADHO C[C@H]1Cc2ccccc2[C@@H]1NCc1ccccc1OCC[NH+](C)C ZINC000122321106 337916144 /nfs/dbraw/zinc/91/61/44/337916144.db2.gz YSNDGQHUZZPFKL-HRAATJIYSA-N 1 3 324.468 3.650 20 0 DHADHO CC[C@H]1CCCN1Cc1cncc(C[N@@H+]2CCC[C@@H]2CC)c1 ZINC000516538838 338014909 /nfs/dbraw/zinc/01/49/09/338014909.db2.gz UGSXTYXSCIKHFN-OALUTQOASA-N 1 3 301.478 3.830 20 0 DHADHO CC[C@H]1CCCN1Cc1cncc(C[N@H+]2CCC[C@@H]2CC)c1 ZINC000516538838 338014910 /nfs/dbraw/zinc/01/49/10/338014910.db2.gz UGSXTYXSCIKHFN-OALUTQOASA-N 1 3 301.478 3.830 20 0 DHADHO C[C@H](C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1)CN(C)C ZINC000425949351 338019105 /nfs/dbraw/zinc/01/91/05/338019105.db2.gz FLLPPQGIVYSDJW-ZIAGYGMSSA-N 1 3 316.411 3.814 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2oc(C(C)C)nc2C)CC1 ZINC000428470300 338053959 /nfs/dbraw/zinc/05/39/59/338053959.db2.gz ZVCWNSJWFDUAIS-UHFFFAOYSA-N 1 3 307.482 3.660 20 0 DHADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCOc2ccc3ccccc3c2)C1 ZINC000430586176 338109267 /nfs/dbraw/zinc/10/92/67/338109267.db2.gz VKMNKFPNJDLXSG-QFBILLFUSA-N 1 3 312.457 3.668 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCSCc2ccccc2)C[C@@H]1C ZINC000430758982 338113926 /nfs/dbraw/zinc/11/39/26/338113926.db2.gz FATSQYFTXNAJSE-FUHWJXTLSA-N 1 3 306.519 3.724 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCSCc2ccccc2)C[C@@H]1C ZINC000430758982 338113927 /nfs/dbraw/zinc/11/39/27/338113927.db2.gz FATSQYFTXNAJSE-FUHWJXTLSA-N 1 3 306.519 3.724 20 0 DHADHO CCN(C)C[C@H]1CC[N@@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000431597116 338134421 /nfs/dbraw/zinc/13/44/21/338134421.db2.gz RWVISXMOSJVXDZ-IAGOWNOFSA-N 1 3 306.519 3.831 20 0 DHADHO CCN(C)C[C@H]1CC[N@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000431597116 338134422 /nfs/dbraw/zinc/13/44/22/338134422.db2.gz RWVISXMOSJVXDZ-IAGOWNOFSA-N 1 3 306.519 3.831 20 0 DHADHO CC[N@H+](C)C[C@H]1CCN([C@H](C)CCSc2ccccc2)C1 ZINC000431597116 338134423 /nfs/dbraw/zinc/13/44/23/338134423.db2.gz RWVISXMOSJVXDZ-IAGOWNOFSA-N 1 3 306.519 3.831 20 0 DHADHO CC[N@@H+](C)C[C@H]1CCN([C@H](C)CCSc2ccccc2)C1 ZINC000431597116 338134424 /nfs/dbraw/zinc/13/44/24/338134424.db2.gz RWVISXMOSJVXDZ-IAGOWNOFSA-N 1 3 306.519 3.831 20 0 DHADHO CN(C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000432793621 338168034 /nfs/dbraw/zinc/16/80/34/338168034.db2.gz PPKUUHBYFQVMDR-VAMGGRTRSA-N 1 3 300.490 3.913 20 0 DHADHO CN(C)[C@@H]1CCC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000432793621 338168035 /nfs/dbraw/zinc/16/80/35/338168035.db2.gz PPKUUHBYFQVMDR-VAMGGRTRSA-N 1 3 300.490 3.913 20 0 DHADHO CN(C)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000432793620 338168132 /nfs/dbraw/zinc/16/81/32/338168132.db2.gz PPKUUHBYFQVMDR-HSALFYBXSA-N 1 3 300.490 3.913 20 0 DHADHO CN(C)[C@@H]1CCC[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000432793620 338168133 /nfs/dbraw/zinc/16/81/33/338168133.db2.gz PPKUUHBYFQVMDR-HSALFYBXSA-N 1 3 300.490 3.913 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000435375327 338238257 /nfs/dbraw/zinc/23/82/57/338238257.db2.gz LZLCHDKQNWKYMY-MAUKXSAKSA-N 1 3 310.441 3.531 20 0 DHADHO C[NH+](C)Cc1cccc(CNCc2cc3c(cccc3F)[nH]2)c1 ZINC000436268199 338264470 /nfs/dbraw/zinc/26/44/70/338264470.db2.gz TYJWEGCCBKBGQL-UHFFFAOYSA-N 1 3 311.404 3.658 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000438182897 338335304 /nfs/dbraw/zinc/33/53/04/338335304.db2.gz VCQBYWMAKRLTBB-ZWKOTPCHSA-N 1 3 304.478 3.698 20 0 DHADHO Cc1ccccc1CCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000440323553 338385441 /nfs/dbraw/zinc/38/54/41/338385441.db2.gz AHOGNWYPANHGQD-FQEVSTJZSA-N 1 3 300.490 3.878 20 0 DHADHO CC(C)[C@@H](CO)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449322561 338612687 /nfs/dbraw/zinc/61/26/87/338612687.db2.gz XTJYDZVLFZKYSS-MRXNPFEDSA-N 1 3 312.542 3.520 20 0 DHADHO CCc1ccc2nccc(N3CCC([NH+]4CCCC4)CC3)c2c1 ZINC000450260870 338674001 /nfs/dbraw/zinc/67/40/01/338674001.db2.gz LLVPIQGNQJALDF-UHFFFAOYSA-N 1 3 309.457 3.862 20 0 DHADHO FC1(F)CC(CC[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000453426833 338841409 /nfs/dbraw/zinc/84/14/09/338841409.db2.gz OZGAJDDDBUNQQP-UHFFFAOYSA-N 1 3 300.437 3.809 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCOC(C)(C)C3)CC2)C1 ZINC000453444440 338842635 /nfs/dbraw/zinc/84/26/35/338842635.db2.gz YEOIMSCZVMYZOU-LMMKCTJWSA-N 1 3 322.537 3.824 20 0 DHADHO c1cc(N2CCC([NH2+][C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)ccn1 ZINC000459379013 339025763 /nfs/dbraw/zinc/02/57/63/339025763.db2.gz OROKOQRACHIHCE-ZHALLVOQSA-N 1 3 313.489 3.999 20 0 DHADHO Cc1ccc([C@H](C)C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000459445893 339029662 /nfs/dbraw/zinc/02/96/62/339029662.db2.gz OBCXQBPPUGWKAR-QGZVFWFLSA-N 1 3 309.457 3.752 20 0 DHADHO C[C@@H](CCCC(F)(F)F)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459513546 339033529 /nfs/dbraw/zinc/03/35/29/339033529.db2.gz RYWOTRQMIDBJDG-ZDUSSCGKSA-N 1 3 315.383 3.761 20 0 DHADHO Cc1ccccc1[C@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459526991 339034046 /nfs/dbraw/zinc/03/40/46/339034046.db2.gz IQQBUJPJXJVJJV-UAPYVXQJSA-N 1 3 321.468 3.895 20 0 DHADHO c1ccc2c(c1)CC[C@@H]2CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459562203 339035882 /nfs/dbraw/zinc/03/58/82/339035882.db2.gz FONRMVLQOYCARK-GOSISDBHSA-N 1 3 321.468 3.760 20 0 DHADHO COC1CCC([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000459667550 339041717 /nfs/dbraw/zinc/04/17/17/339041717.db2.gz AVRGPMLQNBTXLX-ZJZKXORJSA-N 1 3 308.510 3.577 20 0 DHADHO CC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCN(C)C)c2)C1 ZINC000462690144 339084315 /nfs/dbraw/zinc/08/43/15/339084315.db2.gz WUWVKKWDRNABRZ-FUHWJXTLSA-N 1 3 304.478 3.685 20 0 DHADHO CCc1cccc(C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000469776537 339299158 /nfs/dbraw/zinc/29/91/58/339299158.db2.gz RFHURGMEDPORTR-APWZRJJASA-N 1 3 300.490 3.992 20 0 DHADHO Cc1ccc(-c2ccc(CN3CC[C@@H]([C@@H](C)[NH3+])C3)s2)cc1 ZINC000469851842 339302598 /nfs/dbraw/zinc/30/25/98/339302598.db2.gz MOYMXJYNYNRIPE-GDBMZVCRSA-N 1 3 300.471 3.893 20 0 DHADHO C[NH2+]CCC1CCN(Cc2cccc(OCC(C)C)c2)CC1 ZINC000469851005 339302628 /nfs/dbraw/zinc/30/26/28/339302628.db2.gz XQKBDFHBGGXYOD-UHFFFAOYSA-N 1 3 304.478 3.543 20 0 DHADHO CC[NH2+]CC1CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000470003501 339308101 /nfs/dbraw/zinc/30/81/01/339308101.db2.gz QXNMIMAZFDHNPQ-UHFFFAOYSA-N 1 3 316.489 3.830 20 0 DHADHO C[NH2+]CC1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000470015580 339308501 /nfs/dbraw/zinc/30/85/01/339308501.db2.gz BCOUCAZVWXCIHT-UHFFFAOYSA-N 1 3 318.461 3.986 20 0 DHADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CCC(F)(F)F ZINC000471847359 339355987 /nfs/dbraw/zinc/35/59/87/339355987.db2.gz SNSHRJPQCXIULB-HOTGVXAUSA-N 1 3 314.395 3.611 20 0 DHADHO Cc1ccc2[nH]c(C[NH2+]C3C[C@H]4CCC[C@@H](C3)N4C)cc2c1C ZINC000472075903 339362603 /nfs/dbraw/zinc/36/26/03/339362603.db2.gz RCRJRMSKHUZLIJ-ZNXRZULTSA-N 1 3 311.473 3.890 20 0 DHADHO Cc1ccc2[nH]c(CNC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2c1C ZINC000472075903 339362604 /nfs/dbraw/zinc/36/26/04/339362604.db2.gz RCRJRMSKHUZLIJ-ZNXRZULTSA-N 1 3 311.473 3.890 20 0 DHADHO Cc1ccc2[nH]c(CNC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2c1C ZINC000472075903 339362605 /nfs/dbraw/zinc/36/26/05/339362605.db2.gz RCRJRMSKHUZLIJ-ZNXRZULTSA-N 1 3 311.473 3.890 20 0 DHADHO CCN(CC)CCC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000472565458 339373945 /nfs/dbraw/zinc/37/39/45/339373945.db2.gz PWYKQHQZJUJCKG-UHFFFAOYSA-N 1 3 318.505 3.647 20 0 DHADHO CCN(CC)CCC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000472565458 339373946 /nfs/dbraw/zinc/37/39/46/339373946.db2.gz PWYKQHQZJUJCKG-UHFFFAOYSA-N 1 3 318.505 3.647 20 0 DHADHO CC[NH+](CC)CCCN(Cc1ccccc1)CC1CCOCC1 ZINC000472565458 339373947 /nfs/dbraw/zinc/37/39/47/339373947.db2.gz PWYKQHQZJUJCKG-UHFFFAOYSA-N 1 3 318.505 3.647 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccc(C)nc1 ZINC000474796799 339426391 /nfs/dbraw/zinc/42/63/91/339426391.db2.gz BWRDHTDLKQQFIY-VQTJNVASSA-N 1 3 317.521 3.813 20 0 DHADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000479870259 339551824 /nfs/dbraw/zinc/55/18/24/339551824.db2.gz CFWXJSOCNMCHED-GJYPPUQNSA-N 1 3 304.478 3.856 20 0 DHADHO C[C@H](CCCC(F)(F)F)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000480335556 339569015 /nfs/dbraw/zinc/56/90/15/339569015.db2.gz OFBRQMZFFCLULS-CYBMUJFWSA-N 1 3 302.384 3.959 20 0 DHADHO CCOc1c(Cl)cccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000487186079 339745669 /nfs/dbraw/zinc/74/56/69/339745669.db2.gz MRZLTDLRERDZHN-UHFFFAOYSA-N 1 3 322.880 3.703 20 0 DHADHO CN(C)Cc1ccc(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)cc1 ZINC000488447874 339782961 /nfs/dbraw/zinc/78/29/61/339782961.db2.gz XYEJXINJHMSKQQ-IAGOWNOFSA-N 1 3 306.519 3.758 20 0 DHADHO Cc1ccc(CC[N@@H+](C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000501082650 340074080 /nfs/dbraw/zinc/07/40/80/340074080.db2.gz SLGWHFQCLPQZTB-UHFFFAOYSA-N 1 3 323.484 3.781 20 0 DHADHO Cc1ccc(CC[N@H+](C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000501082650 340074081 /nfs/dbraw/zinc/07/40/81/340074081.db2.gz SLGWHFQCLPQZTB-UHFFFAOYSA-N 1 3 323.484 3.781 20 0 DHADHO CC(C)OC[C@@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000501440209 340081093 /nfs/dbraw/zinc/08/10/93/340081093.db2.gz YQBHWFCAUIVRKD-GOSISDBHSA-N 1 3 318.505 3.966 20 0 DHADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(Cc2cccc(F)c2)CC1 ZINC000502702677 340111459 /nfs/dbraw/zinc/11/14/59/340111459.db2.gz QIOUKMSPYWKBSZ-LJQANCHMSA-N 1 3 304.453 3.565 20 0 DHADHO C[N@H+]1CCC[C@@H]1CCN1CCC(Cc2cccc(F)c2)CC1 ZINC000502702677 340111460 /nfs/dbraw/zinc/11/14/60/340111460.db2.gz QIOUKMSPYWKBSZ-LJQANCHMSA-N 1 3 304.453 3.565 20 0 DHADHO C[NH+](C)CC1CCN(CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506462809 340194982 /nfs/dbraw/zinc/19/49/82/340194982.db2.gz KHKCYNAQEUPKJH-UHFFFAOYSA-N 1 3 318.505 3.637 20 0 DHADHO CCc1cccnc1[C@H](C)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000507470481 340221273 /nfs/dbraw/zinc/22/12/73/340221273.db2.gz MVOSFELVPIXZDZ-SJORKVTESA-N 1 3 303.494 3.807 20 0 DHADHO CCc1cccnc1[C@H](C)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000507470481 340221274 /nfs/dbraw/zinc/22/12/74/340221274.db2.gz MVOSFELVPIXZDZ-SJORKVTESA-N 1 3 303.494 3.807 20 0 DHADHO CC[C@@H]1C[C@H](CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCO1 ZINC000507808849 340232458 /nfs/dbraw/zinc/23/24/58/340232458.db2.gz WVEZRSLTVCKOPQ-YSTOQKLRSA-N 1 3 322.537 3.778 20 0 DHADHO CC[C@@H]1C[C@H](CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCO1 ZINC000507808849 340232459 /nfs/dbraw/zinc/23/24/59/340232459.db2.gz WVEZRSLTVCKOPQ-YSTOQKLRSA-N 1 3 322.537 3.778 20 0 DHADHO CN1CCC[C@@H](C[N@H+](C)Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000508560555 340246488 /nfs/dbraw/zinc/24/64/88/340246488.db2.gz KUNWFTYWGHNMFH-GFCCVEGCSA-N 1 3 318.358 3.618 20 0 DHADHO CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000508560555 340246489 /nfs/dbraw/zinc/24/64/89/340246489.db2.gz KUNWFTYWGHNMFH-GFCCVEGCSA-N 1 3 318.358 3.618 20 0 DHADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000510668411 340305844 /nfs/dbraw/zinc/30/58/44/340305844.db2.gz IWEKTFSGPQDGGW-NRSPTQNISA-N 1 3 312.501 3.719 20 0 DHADHO C[C@@H](C[NH2+][C@@H](C)CCc1c(F)cccc1F)CN1CCCC1 ZINC000510674533 340306030 /nfs/dbraw/zinc/30/60/30/340306030.db2.gz ISVPXVGXXXHBOL-GJZGRUSLSA-N 1 3 310.432 3.607 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000510688737 340306774 /nfs/dbraw/zinc/30/67/74/340306774.db2.gz SIGHSBDPNQGRNJ-BVGQSLNGSA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000510688737 340306775 /nfs/dbraw/zinc/30/67/75/340306775.db2.gz SIGHSBDPNQGRNJ-BVGQSLNGSA-N 1 3 308.416 3.502 20 0 DHADHO C[NH+](C)CC[C@@H](NC/C=C/c1ccc(F)c(F)c1)C(C)(C)C ZINC000512050636 340346710 /nfs/dbraw/zinc/34/67/10/340346710.db2.gz CYTBOWNTDYOUTG-DKRLNXSXSA-N 1 3 310.432 3.934 20 0 DHADHO CCC1(CC)[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C[C@H]1OC ZINC000512318381 340356744 /nfs/dbraw/zinc/35/67/44/340356744.db2.gz OTVRSSKTEZWGOS-PSBWJHGTSA-N 1 3 322.537 3.823 20 0 DHADHO CC(C)CC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000513234312 340398716 /nfs/dbraw/zinc/39/87/16/340398716.db2.gz VORVUWHSSRMIQH-SXLOBPIMSA-N 1 3 324.553 3.806 20 0 DHADHO CC(C)CC[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000513234312 340398717 /nfs/dbraw/zinc/39/87/17/340398717.db2.gz VORVUWHSSRMIQH-SXLOBPIMSA-N 1 3 324.553 3.806 20 0 DHADHO CCOC1CC(CC[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000189248049 340531440 /nfs/dbraw/zinc/53/14/40/340531440.db2.gz ZLKYBBWNDVZNHN-PYXOFJJQSA-N 1 3 322.537 3.824 20 0 DHADHO CC[NH+]1CCC(CCN[C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191311679 340552580 /nfs/dbraw/zinc/55/25/80/340552580.db2.gz RRYHTLDVNUEWGP-HNNXBMFYSA-N 1 3 320.525 3.719 20 0 DHADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CC(F)(F)C1 ZINC000529542291 340761601 /nfs/dbraw/zinc/76/16/01/340761601.db2.gz IXSRNMHLKXPZFJ-CYBMUJFWSA-N 1 3 300.437 3.807 20 0 DHADHO Cc1ccc(CCCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000542277622 341003063 /nfs/dbraw/zinc/00/30/63/341003063.db2.gz YLGJQVBMPGZZMW-FQEVSTJZSA-N 1 3 300.490 3.878 20 0 DHADHO Cc1ccc([C@H]([NH2+]C2CCN(CC3CC3)CC2)C2CCC2)o1 ZINC000542671568 341016799 /nfs/dbraw/zinc/01/67/99/341016799.db2.gz URGYFMBUQNOUHN-LJQANCHMSA-N 1 3 302.462 3.893 20 0 DHADHO Cc1ccc(SC[C@H](C)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000546017854 341151423 /nfs/dbraw/zinc/15/14/23/341151423.db2.gz CJLSLIFFIPIXNU-INIZCTEOSA-N 1 3 318.530 3.940 20 0 DHADHO COc1ccc([C@H](NCC2(C[NH+](C)C)CCCC2)C2CC2)cc1 ZINC000546226699 341158057 /nfs/dbraw/zinc/15/80/57/341158057.db2.gz AMDRSABKPYFZIG-LJQANCHMSA-N 1 3 316.489 3.858 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(OCc3ccccc3)cc2)C1 ZINC000261539901 341282085 /nfs/dbraw/zinc/28/20/85/341282085.db2.gz DHLZCPCPUDBTOZ-RTBURBONSA-N 1 3 310.441 3.625 20 0 DHADHO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c2ccccc12 ZINC000245708621 341311069 /nfs/dbraw/zinc/31/10/69/341311069.db2.gz CCEBBDNPPDKOID-YLJYHZDGSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c2ccccc12 ZINC000245708621 341311070 /nfs/dbraw/zinc/31/10/70/341311070.db2.gz CCEBBDNPPDKOID-YLJYHZDGSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc12 ZINC000245708621 341311071 /nfs/dbraw/zinc/31/10/71/341311071.db2.gz CCEBBDNPPDKOID-YLJYHZDGSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc12 ZINC000245708621 341311072 /nfs/dbraw/zinc/31/10/72/341311072.db2.gz CCEBBDNPPDKOID-YLJYHZDGSA-N 1 3 324.468 3.765 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](CSc2ccccc2)C(C)C)C1 ZINC000245934420 341318864 /nfs/dbraw/zinc/31/88/64/341318864.db2.gz IUJARDMQKPOKKC-SJLPKXTDSA-N 1 3 306.519 3.735 20 0 DHADHO CCCCOc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000551529136 341343967 /nfs/dbraw/zinc/34/39/67/341343967.db2.gz CBNMVLFCIAVSCV-DLBZAZTESA-N 1 3 304.478 3.858 20 0 DHADHO CCCCOc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000551529136 341343968 /nfs/dbraw/zinc/34/39/68/341343968.db2.gz CBNMVLFCIAVSCV-DLBZAZTESA-N 1 3 304.478 3.858 20 0 DHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2c(C)cccc2C)[C@@H](C)C1 ZINC000246455348 341349289 /nfs/dbraw/zinc/34/92/89/341349289.db2.gz PMNJIJTVMPBLEY-AZUAARDMSA-N 1 3 318.505 3.530 20 0 DHADHO CCOCCC[N@H+]1CC[C@@H](NCc2c(C)cccc2C)[C@@H](C)C1 ZINC000246455348 341349290 /nfs/dbraw/zinc/34/92/90/341349290.db2.gz PMNJIJTVMPBLEY-AZUAARDMSA-N 1 3 318.505 3.530 20 0 DHADHO COc1cccc([C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246979625 341359468 /nfs/dbraw/zinc/35/94/68/341359468.db2.gz VWDRDXJMPXBSRQ-VPWXQRGCSA-N 1 3 314.473 3.705 20 0 DHADHO COc1cccc([C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246979625 341359469 /nfs/dbraw/zinc/35/94/69/341359469.db2.gz VWDRDXJMPXBSRQ-VPWXQRGCSA-N 1 3 314.473 3.705 20 0 DHADHO c1ccc(SCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000247005214 341359701 /nfs/dbraw/zinc/35/97/01/341359701.db2.gz XCNAOWGDBIVDQC-QFBILLFUSA-N 1 3 316.514 3.727 20 0 DHADHO c1ccc(SCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000247005214 341359702 /nfs/dbraw/zinc/35/97/02/341359702.db2.gz XCNAOWGDBIVDQC-QFBILLFUSA-N 1 3 316.514 3.727 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cccs1 ZINC000247026503 341360045 /nfs/dbraw/zinc/36/00/45/341360045.db2.gz NGHQARCIHPZNTG-JYJNAYRXSA-N 1 3 310.507 3.678 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000247175409 341361873 /nfs/dbraw/zinc/36/18/73/341361873.db2.gz YUOJGBPMYYIPPF-AZUAARDMSA-N 1 3 300.490 3.718 20 0 DHADHO COc1ccc2cc(CN3CC[C@]4(C3)CCC[N@H+](C)C4)ccc2c1 ZINC000552111037 341370395 /nfs/dbraw/zinc/37/03/95/341370395.db2.gz MZLARJXPXUQYSB-OAQYLSRUSA-N 1 3 324.468 3.766 20 0 DHADHO COc1ccc2cc(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)ccc2c1 ZINC000552111037 341370396 /nfs/dbraw/zinc/37/03/96/341370396.db2.gz MZLARJXPXUQYSB-OAQYLSRUSA-N 1 3 324.468 3.766 20 0 DHADHO CN1CCC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000247970770 341371705 /nfs/dbraw/zinc/37/17/05/341371705.db2.gz HHWYAMZVUOGJNC-GOEBONIOSA-N 1 3 312.379 3.622 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000247970770 341371706 /nfs/dbraw/zinc/37/17/06/341371706.db2.gz HHWYAMZVUOGJNC-GOEBONIOSA-N 1 3 312.379 3.622 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000248711759 341384971 /nfs/dbraw/zinc/38/49/71/341384971.db2.gz BKCSWRHDOKIQQG-CVEARBPZSA-N 1 3 304.478 3.856 20 0 DHADHO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C1(C)C ZINC000248799783 341387134 /nfs/dbraw/zinc/38/71/34/341387134.db2.gz JOGHNWZRPCVBBC-KCITZHQASA-N 1 3 322.537 3.821 20 0 DHADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000249030187 341392252 /nfs/dbraw/zinc/39/22/52/341392252.db2.gz SIZAMPUNZBOACM-KGLIPLIRSA-N 1 3 324.871 3.973 20 0 DHADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000249030187 341392253 /nfs/dbraw/zinc/39/22/53/341392253.db2.gz SIZAMPUNZBOACM-KGLIPLIRSA-N 1 3 324.871 3.973 20 0 DHADHO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089215643 341402690 /nfs/dbraw/zinc/40/26/90/341402690.db2.gz CIQNGTJFRDCJMM-HRAATJIYSA-N 1 3 321.468 3.821 20 0 DHADHO C[C@H]([NH2+]CC1CCCCC1)c1cccc(OCCN(C)C)c1 ZINC000552893957 341408068 /nfs/dbraw/zinc/40/80/68/341408068.db2.gz BFNGDXVREINUTL-INIZCTEOSA-N 1 3 304.478 3.858 20 0 DHADHO C[C@H]1C[C@H](NCc2cccc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000554734272 341462571 /nfs/dbraw/zinc/46/25/71/341462571.db2.gz IDRMPFYMPQXYKS-KKSFZXQISA-N 1 3 324.468 3.965 20 0 DHADHO COc1cccc2cc([C@@H](C)NCC3(C)CC[NH+](C)CC3)oc21 ZINC000272624457 341629382 /nfs/dbraw/zinc/62/93/82/341629382.db2.gz YYVWCFBNAVFBFK-CQSZACIVSA-N 1 3 316.445 3.824 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000337282261 519773292 /nfs/dbraw/zinc/77/32/92/519773292.db2.gz IFSRYLUDAVJWLP-SFHVURJKSA-N 1 3 318.505 3.822 20 0 DHADHO CC1(C)C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C(C)(C)O1 ZINC000157549917 520554324 /nfs/dbraw/zinc/55/43/24/520554324.db2.gz USGDAVQOUHWYMK-KRWDZBQOSA-N 1 3 308.510 3.719 20 0 DHADHO CC1(C)C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C(C)(C)O1 ZINC000157549917 520554332 /nfs/dbraw/zinc/55/43/32/520554332.db2.gz USGDAVQOUHWYMK-KRWDZBQOSA-N 1 3 308.510 3.719 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337340749 521007975 /nfs/dbraw/zinc/00/79/75/521007975.db2.gz PRUSWGSSVHNDOC-AZUAARDMSA-N 1 3 315.505 3.819 20 0 DHADHO CC[C@H](NCc1ccccc1C[NH+](CC)CC)c1cnn(C)c1 ZINC000163758834 522654728 /nfs/dbraw/zinc/65/47/28/522654728.db2.gz VKKGTNAMMHCEKG-IBGZPJMESA-N 1 3 314.477 3.503 20 0 DHADHO COc1cc([C@H](C)[NH2+]CC(C)(C)CN(C)C)ccc1SC ZINC000132156332 522941987 /nfs/dbraw/zinc/94/19/87/522941987.db2.gz UOJQQVWHXATFCJ-ZDUSSCGKSA-N 1 3 310.507 3.656 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000159175786 523298712 /nfs/dbraw/zinc/29/87/12/523298712.db2.gz SSVNBMSUFWFMLS-OXJNMPFZSA-N 1 3 316.489 3.716 20 0 DHADHO C[NH+]1CCC(NCc2ccc(-c3ccccc3F)s2)CC1 ZINC000237169437 523778303 /nfs/dbraw/zinc/77/83/03/523778303.db2.gz AJNNNHLTOJUVRS-UHFFFAOYSA-N 1 3 304.434 3.738 20 0 DHADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000124185962 524913188 /nfs/dbraw/zinc/91/31/88/524913188.db2.gz IYQMUDGABDPQKQ-TXCZRRACSA-N 1 3 302.462 3.607 20 0 DHADHO Cc1ccccc1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000157127956 525168510 /nfs/dbraw/zinc/16/85/10/525168510.db2.gz AMYRMTWFELSZBF-QGZVFWFLSA-N 1 3 312.457 3.786 20 0 DHADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1cccnc1Cl ZINC000158171519 525435598 /nfs/dbraw/zinc/43/55/98/525435598.db2.gz NDAOOKBTFNNXRF-OAHLLOKOSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2ccsc2S1 ZINC000336826934 525440013 /nfs/dbraw/zinc/44/00/13/525440013.db2.gz YKQFTJCDQCTQNA-XUJVJEKNSA-N 1 3 308.516 3.747 20 0 DHADHO C[C@@H](NCc1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000124300597 525533236 /nfs/dbraw/zinc/53/32/36/525533236.db2.gz FVYJCYADUPFREO-OAHLLOKOSA-N 1 3 316.420 3.617 20 0 DHADHO c1csc(CCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167964601 1013221019 /nfs/dbraw/zinc/22/10/19/1013221019.db2.gz UOQCAHXHRVHQHL-ALOPSCKCSA-N 1 3 304.503 3.676 20 0 DHADHO c1csc(CCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167964601 1013221024 /nfs/dbraw/zinc/22/10/24/1013221024.db2.gz UOQCAHXHRVHQHL-ALOPSCKCSA-N 1 3 304.503 3.676 20 0 DHADHO CN(Cc1ccc(Cl)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211366315 1013234667 /nfs/dbraw/zinc/23/46/67/1013234667.db2.gz LPRWKZILPDSAPY-UHFFFAOYSA-N 1 3 300.833 3.618 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000414907634 1013463622 /nfs/dbraw/zinc/46/36/22/1013463622.db2.gz AUCRYIIHMNRLTF-STQMWFEESA-N 1 3 306.759 3.718 20 0 DHADHO C[C@@H]1SCC[N@H+](CC[C@H]2CCCN2C)[C@@H]1c1ccccc1 ZINC000340372232 1013525727 /nfs/dbraw/zinc/52/57/27/1013525727.db2.gz WLRUNVNIGNSZDS-JQHSSLGASA-N 1 3 304.503 3.649 20 0 DHADHO C[C@@H]1SCC[N@@H+](CC[C@H]2CCCN2C)[C@@H]1c1ccccc1 ZINC000340372232 1013525735 /nfs/dbraw/zinc/52/57/35/1013525735.db2.gz WLRUNVNIGNSZDS-JQHSSLGASA-N 1 3 304.503 3.649 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCCC1)c1cnc2ccsc2c1 ZINC000068690567 1013686505 /nfs/dbraw/zinc/68/65/05/1013686505.db2.gz HWBVEJBFKYCHAV-AWEZNQCLSA-N 1 3 303.475 3.823 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1cnc2ccsc2c1 ZINC000068690568 1013687071 /nfs/dbraw/zinc/68/70/71/1013687071.db2.gz HWBVEJBFKYCHAV-CQSZACIVSA-N 1 3 303.475 3.823 20 0 DHADHO CC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000655847822 1013774270 /nfs/dbraw/zinc/77/42/70/1013774270.db2.gz DESIXWQGWMMVKS-RBUKOAKNSA-N 1 3 308.510 3.721 20 0 DHADHO CC[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000655847822 1013774276 /nfs/dbraw/zinc/77/42/76/1013774276.db2.gz DESIXWQGWMMVKS-RBUKOAKNSA-N 1 3 308.510 3.721 20 0 DHADHO CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[C@H]1CCCCO1 ZINC000655849058 1013779457 /nfs/dbraw/zinc/77/94/57/1013779457.db2.gz MEEPDWODHKIFHE-GSEOLPGOSA-N 1 3 322.537 3.967 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000361763530 1032087982 /nfs/dbraw/zinc/08/79/82/1032087982.db2.gz FDOYDBDZMXDUKV-GQIGUUNPSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000361763530 1032087990 /nfs/dbraw/zinc/08/79/90/1032087990.db2.gz FDOYDBDZMXDUKV-GQIGUUNPSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@H](N)c1nccn1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005595 1014405004 /nfs/dbraw/zinc/40/50/04/1014405004.db2.gz KCIYLWSBDZISRG-DFGXFYAUSA-N 1 3 312.461 3.517 20 0 DHADHO C[C@H](N)c1nccn1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005595 1014405014 /nfs/dbraw/zinc/40/50/14/1014405014.db2.gz KCIYLWSBDZISRG-DFGXFYAUSA-N 1 3 312.461 3.517 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-c2cccs2)cc1 ZINC000665237619 1014510447 /nfs/dbraw/zinc/51/04/47/1014510447.db2.gz FPJMGVJKKUPXDU-YOEHRIQHSA-N 1 3 300.471 3.893 20 0 DHADHO Cc1cc(C)cc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665246089 1014533056 /nfs/dbraw/zinc/53/30/56/1014533056.db2.gz YSSXSCGNOZJAMA-PZJWPPBQSA-N 1 3 322.452 3.649 20 0 DHADHO CCN(CC)CCC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000581205523 1014612982 /nfs/dbraw/zinc/61/29/82/1014612982.db2.gz OQWOXNXFLOKDDF-ATZDWAIDSA-N 1 3 304.478 3.509 20 0 DHADHO FC(F)(F)c1ccc([C@H]2CC[C@@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000665279320 1014663537 /nfs/dbraw/zinc/66/35/37/1014663537.db2.gz AEOKQMMINCXRDA-ORTQGIPQSA-N 1 3 324.390 3.683 20 0 DHADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000665280692 1014671224 /nfs/dbraw/zinc/67/12/24/1014671224.db2.gz JCKFZQQPVDWDTE-BXUZGUMPSA-N 1 3 304.356 3.609 20 0 DHADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(OC(F)F)cc1 ZINC000349381624 1014690959 /nfs/dbraw/zinc/69/09/59/1014690959.db2.gz HUKLDMPSRZVRIP-UHFFFAOYSA-N 1 3 312.404 3.596 20 0 DHADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(OC(F)F)cc1 ZINC000349381624 1014690965 /nfs/dbraw/zinc/69/09/65/1014690965.db2.gz HUKLDMPSRZVRIP-UHFFFAOYSA-N 1 3 312.404 3.596 20 0 DHADHO CN(CCCc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442759557 1014726698 /nfs/dbraw/zinc/72/66/98/1014726698.db2.gz DPIKCGZZOZHMCA-YOFSQIOKSA-N 1 3 308.469 3.987 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2ccc(C)nc2)CC1)CC(C)C ZINC000349403536 1014766108 /nfs/dbraw/zinc/76/61/08/1014766108.db2.gz CMLKSHVFRGAMRL-UHFFFAOYSA-N 1 3 317.521 3.970 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2ccc(C)nc2)CC1)CC(C)C ZINC000349403536 1014766115 /nfs/dbraw/zinc/76/61/15/1014766115.db2.gz CMLKSHVFRGAMRL-UHFFFAOYSA-N 1 3 317.521 3.970 20 0 DHADHO [NH3+]CC[C@H]1CCCN(Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000442918506 1014772842 /nfs/dbraw/zinc/77/28/42/1014772842.db2.gz GZYSQNMPQBERIA-LLVKDONJSA-N 1 3 318.795 3.502 20 0 DHADHO CCOC[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(C)C ZINC000474087543 1014990623 /nfs/dbraw/zinc/99/06/23/1014990623.db2.gz GVERNENUIXMUBL-WDSOQIARSA-N 1 3 310.526 3.680 20 0 DHADHO CCCCN1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000079000119 1015020036 /nfs/dbraw/zinc/02/00/36/1015020036.db2.gz HKMSYOCQCZCNIB-UHFFFAOYSA-N 1 3 312.404 3.642 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)C1 ZINC000281380580 1016483030 /nfs/dbraw/zinc/48/30/30/1016483030.db2.gz XFEXTOCPBQFEMX-QRVBRYPASA-N 1 3 315.505 3.738 20 0 DHADHO COc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CCC2)cc1 ZINC000897080074 1017042312 /nfs/dbraw/zinc/04/23/12/1017042312.db2.gz POPXWEJVXHNUCQ-AQDPXUSMSA-N 1 3 314.473 3.751 20 0 DHADHO COc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CCC2)cc1 ZINC000897080074 1017042322 /nfs/dbraw/zinc/04/23/22/1017042322.db2.gz POPXWEJVXHNUCQ-AQDPXUSMSA-N 1 3 314.473 3.751 20 0 DHADHO CC[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623440398 1017048330 /nfs/dbraw/zinc/04/83/30/1017048330.db2.gz ULNWOBNCAWUWHB-GJZGRUSLSA-N 1 3 324.896 3.960 20 0 DHADHO CC[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623440398 1017048340 /nfs/dbraw/zinc/04/83/40/1017048340.db2.gz ULNWOBNCAWUWHB-GJZGRUSLSA-N 1 3 324.896 3.960 20 0 DHADHO COC1CCC(C)(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000475191236 1017064275 /nfs/dbraw/zinc/06/42/75/1017064275.db2.gz MYRABCJTXREJQI-UHFFFAOYSA-N 1 3 322.537 3.968 20 0 DHADHO CCC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(OC)cc1 ZINC000361972745 1032178206 /nfs/dbraw/zinc/17/82/06/1032178206.db2.gz TZZWGKZZVLBWOF-SCTDSRPQSA-N 1 3 304.478 3.999 20 0 DHADHO CN(Cc1nc2ccccc2s1)C1CCC([NH+](C)C)CC1 ZINC001168314141 1032216564 /nfs/dbraw/zinc/21/65/64/1032216564.db2.gz KKKZLRNYIDIKAP-UHFFFAOYSA-N 1 3 303.475 3.601 20 0 DHADHO C[NH+](C)C1CCC(N2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001168314941 1032224885 /nfs/dbraw/zinc/22/48/85/1032224885.db2.gz ILNAFMLOKNQORF-GZNCHQMQSA-N 1 3 323.484 3.766 20 0 DHADHO COc1cc([C@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)c(F)cn1 ZINC000348098254 1032460043 /nfs/dbraw/zinc/46/00/43/1032460043.db2.gz AEJLMHZSGOXFOC-CABCVRRESA-N 1 3 323.456 3.535 20 0 DHADHO COc1cc([C@H](C)NCCCC[N@H+]2CCCC[C@H]2C)c(F)cn1 ZINC000348098254 1032460048 /nfs/dbraw/zinc/46/00/48/1032460048.db2.gz AEJLMHZSGOXFOC-CABCVRRESA-N 1 3 323.456 3.535 20 0 DHADHO CCCCN(C)CCC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171343417 1032468716 /nfs/dbraw/zinc/46/87/16/1032468716.db2.gz XNMIOCXPAZXMLR-INIZCTEOSA-N 1 3 310.432 3.534 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(OC(F)(F)F)c1 ZINC000424376427 1012012925 /nfs/dbraw/zinc/01/29/25/1012012925.db2.gz PBUZHQXMNVMASZ-LERXQTSPSA-N 1 3 302.340 3.506 20 0 DHADHO CC[C@H]1CN(CCCSc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000647937404 1012092796 /nfs/dbraw/zinc/09/27/96/1012092796.db2.gz XZIGOMARHHAUBP-DZGCQCFKSA-N 1 3 312.910 3.881 20 0 DHADHO FC(F)(F)c1ccc(Cl)c(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952318 1032599940 /nfs/dbraw/zinc/59/99/40/1032599940.db2.gz QQNYAFMFELIPRU-ZDUSSCGKSA-N 1 3 318.770 3.591 20 0 DHADHO FCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000516883291 1012854995 /nfs/dbraw/zinc/85/49/95/1012854995.db2.gz UZFUFKQWDMKEBL-CEXWTWQISA-N 1 3 304.453 3.626 20 0 DHADHO C[C@H]1C[C@@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000366678736 1012920214 /nfs/dbraw/zinc/92/02/14/1012920214.db2.gz MVDWLTWLKBRJBS-IRXDYDNUSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H]1CCC[C@H](C)N1CC1(C[NH+]2[C@@H](C)CCC[C@@H]2C)COC1 ZINC000119414757 1013030426 /nfs/dbraw/zinc/03/04/26/1013030426.db2.gz XUWHIKDAYDZXBY-XLAORIBOSA-N 1 3 308.510 3.529 20 0 DHADHO C[C@@H]1CCC[C@H](C)[N@H+]1CC1(CN2[C@@H](C)CCC[C@@H]2C)COC1 ZINC000119414757 1013030445 /nfs/dbraw/zinc/03/04/45/1013030445.db2.gz XUWHIKDAYDZXBY-XLAORIBOSA-N 1 3 308.510 3.529 20 0 DHADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CC1(CN2[C@@H](C)CCC[C@@H]2C)COC1 ZINC000119414757 1013030464 /nfs/dbraw/zinc/03/04/64/1013030464.db2.gz XUWHIKDAYDZXBY-XLAORIBOSA-N 1 3 308.510 3.529 20 0 DHADHO CSCCN(C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168060683 1017110811 /nfs/dbraw/zinc/11/08/11/1017110811.db2.gz XQSINWIQBGZYQK-HOTGVXAUSA-N 1 3 306.519 3.723 20 0 DHADHO CC[C@@H]1COCC[N@@H+]1[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168063275 1017194033 /nfs/dbraw/zinc/19/40/33/1017194033.db2.gz MOUAUPFXSBCAGT-PIKOESSRSA-N 1 3 316.489 3.539 20 0 DHADHO CC[C@@H]1COCC[N@H+]1[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168063275 1017194038 /nfs/dbraw/zinc/19/40/38/1017194038.db2.gz MOUAUPFXSBCAGT-PIKOESSRSA-N 1 3 316.489 3.539 20 0 DHADHO CC[C@H](CSC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716684805 1032701627 /nfs/dbraw/zinc/70/16/27/1032701627.db2.gz VVWAIGTVHNHQRK-MANSERQUSA-N 1 3 318.530 3.771 20 0 DHADHO FC(F)(F)CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716680221 1032703237 /nfs/dbraw/zinc/70/32/37/1032703237.db2.gz GVRQWGPOEBVTCB-XHSDSOJGSA-N 1 3 312.379 3.582 20 0 DHADHO FC(F)(F)CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716680221 1032703247 /nfs/dbraw/zinc/70/32/47/1032703247.db2.gz GVRQWGPOEBVTCB-XHSDSOJGSA-N 1 3 312.379 3.582 20 0 DHADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@H]1C ZINC000657612602 1017571628 /nfs/dbraw/zinc/57/16/28/1017571628.db2.gz AVZLFBGIGGUGRG-HLIPFELVSA-N 1 3 315.505 3.708 20 0 DHADHO CC(C)CC[NH+]1CCC(CN[C@@H]2CCCc3scnc32)CC1 ZINC000623903860 1017572728 /nfs/dbraw/zinc/57/27/28/1017572728.db2.gz QFDVMVRVYOQJDZ-MRXNPFEDSA-N 1 3 321.534 3.868 20 0 DHADHO CC1(c2ccccc2)CCN(CCC[NH+]2CCCCC2)CC1 ZINC000444614673 1017590203 /nfs/dbraw/zinc/59/02/03/1017590203.db2.gz YLDVFZPAMBSYGW-UHFFFAOYSA-N 1 3 300.490 3.916 20 0 DHADHO C[C@H]1CN(CCC[NH+]2CCCCC2)CC[C@H]1c1ccccc1 ZINC000444598768 1017592211 /nfs/dbraw/zinc/59/22/11/1017592211.db2.gz PLZNPWCWABXWMC-AZUAARDMSA-N 1 3 300.490 3.988 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(OC(F)F)cc1 ZINC000624120457 1017693411 /nfs/dbraw/zinc/69/34/11/1017693411.db2.gz ZNCHVWLLTTYABJ-UONOGXRCSA-N 1 3 312.404 3.671 20 0 DHADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624123713 1017695207 /nfs/dbraw/zinc/69/52/07/1017695207.db2.gz RIQNIYODWGXEAX-XNFNUYLZSA-N 1 3 316.489 3.509 20 0 DHADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)CCS2 ZINC000624123361 1017695729 /nfs/dbraw/zinc/69/57/29/1017695729.db2.gz KPYFYTOWDHVUCA-WMLDXEAASA-N 1 3 320.502 3.554 20 0 DHADHO COc1ccc([C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)C(C)C)cc1 ZINC000624122712 1017697046 /nfs/dbraw/zinc/69/70/46/1017697046.db2.gz ZKAXYJLGMCPRKX-LPHOPBHVSA-N 1 3 304.478 3.714 20 0 DHADHO COc1ccc([C@@H](NC[C@@H]2CCCC[N@H+](C)C2)C(C)C)cc1 ZINC000624122712 1017697048 /nfs/dbraw/zinc/69/70/48/1017697048.db2.gz ZKAXYJLGMCPRKX-LPHOPBHVSA-N 1 3 304.478 3.714 20 0 DHADHO COc1ccc([C@@H](NC[C@@H]2CCCC[N@@H+](C)C2)C(C)C)cc1 ZINC000624122712 1017697050 /nfs/dbraw/zinc/69/70/50/1017697050.db2.gz ZKAXYJLGMCPRKX-LPHOPBHVSA-N 1 3 304.478 3.714 20 0 DHADHO Cc1cccc([C@@H](N[C@H](C)C2CC[NH+](C)CC2)c2ccccn2)c1 ZINC000090946763 1017835895 /nfs/dbraw/zinc/83/58/95/1017835895.db2.gz PTBGDBKWDHCCCD-DYESRHJHSA-N 1 3 323.484 3.799 20 0 DHADHO C[C@@H](c1ccccc1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171305047 1017921437 /nfs/dbraw/zinc/92/14/37/1017921437.db2.gz RAJDYECEYIHHTQ-KSZLIROESA-N 1 3 316.489 3.569 20 0 DHADHO C[C@H]([NH2+]CCCOc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185690733 1018126162 /nfs/dbraw/zinc/12/61/62/1018126162.db2.gz CULLDHBCOPNQDO-ZWKOTPCHSA-N 1 3 316.489 3.698 20 0 DHADHO COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000380189331 1018134441 /nfs/dbraw/zinc/13/44/41/1018134441.db2.gz PRBCISHLEJVLFJ-FXAWDEMLSA-N 1 3 324.468 3.695 20 0 DHADHO CC1(C)CCCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166855 1018195976 /nfs/dbraw/zinc/19/59/76/1018195976.db2.gz QEMBWUYGDBRFHO-LJQANCHMSA-N 1 3 315.505 3.852 20 0 DHADHO Cc1cc(C[N@@H+](C)CC[C@@H]2CCCCN2C)c2ccccc2n1 ZINC000525272116 1018217572 /nfs/dbraw/zinc/21/75/72/1018217572.db2.gz JBJKNWXKBSVWHV-SFHVURJKSA-N 1 3 311.473 3.849 20 0 DHADHO Cc1cc(C[N@H+](C)CC[C@@H]2CCCCN2C)c2ccccc2n1 ZINC000525272116 1018217585 /nfs/dbraw/zinc/21/75/85/1018217585.db2.gz JBJKNWXKBSVWHV-SFHVURJKSA-N 1 3 311.473 3.849 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCOC(C)(C)C)CC1 ZINC000658184014 1018224647 /nfs/dbraw/zinc/22/46/47/1018224647.db2.gz HAIUSXVXPPTFIZ-SJLPKXTDSA-N 1 3 310.526 3.824 20 0 DHADHO CC(C)COc1cccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000623374843 1018224830 /nfs/dbraw/zinc/22/48/30/1018224830.db2.gz RHEGEMISXAUEIN-QGZVFWFLSA-N 1 3 304.478 3.684 20 0 DHADHO CC(C)C[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccncc1 ZINC000647282054 1018230134 /nfs/dbraw/zinc/23/01/34/1018230134.db2.gz WHXVMGPJFBNVNP-IBGZPJMESA-N 1 3 303.494 3.879 20 0 DHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCc2ccoc2)CC1 ZINC000658197227 1018252906 /nfs/dbraw/zinc/25/29/06/1018252906.db2.gz GOAMRKSHHKJSNW-QGZVFWFLSA-N 1 3 312.457 3.507 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381987221 1018293283 /nfs/dbraw/zinc/29/32/83/1018293283.db2.gz XBHAZCRTLCXWBN-RYQLBKOJSA-N 1 3 322.443 3.922 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381987217 1018293740 /nfs/dbraw/zinc/29/37/40/1018293740.db2.gz XBHAZCRTLCXWBN-CGTJXYLNSA-N 1 3 322.443 3.922 20 0 DHADHO CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000446931965 1018295963 /nfs/dbraw/zinc/29/59/63/1018295963.db2.gz GFQLQOXUKDOIAQ-AABGKKOBSA-N 1 3 318.505 3.690 20 0 DHADHO COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080339075 1018452686 /nfs/dbraw/zinc/45/26/86/1018452686.db2.gz WJUGKZITVVJDRZ-PXNSSMCTSA-N 1 3 324.468 3.838 20 0 DHADHO COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080339075 1018452692 /nfs/dbraw/zinc/45/26/92/1018452692.db2.gz WJUGKZITVVJDRZ-PXNSSMCTSA-N 1 3 324.468 3.838 20 0 DHADHO C[C@H](CCN1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000447730877 1018460332 /nfs/dbraw/zinc/46/03/32/1018460332.db2.gz LQLQDIBUOBNLOQ-IEBWSBKVSA-N 1 3 300.490 3.844 20 0 DHADHO C[C@H](CCN1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000447730877 1018460338 /nfs/dbraw/zinc/46/03/38/1018460338.db2.gz LQLQDIBUOBNLOQ-IEBWSBKVSA-N 1 3 300.490 3.844 20 0 DHADHO CN(CCCc1c(F)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583440619 1018462880 /nfs/dbraw/zinc/46/28/80/1018462880.db2.gz NHZSCUFDDVPBGU-PBWFPOADSA-N 1 3 310.844 3.627 20 0 DHADHO CCCN1CCC([NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 ZINC000675784677 1018590350 /nfs/dbraw/zinc/59/03/50/1018590350.db2.gz PFUUOTLPYBPFIL-OALUTQOASA-N 1 3 320.452 3.510 20 0 DHADHO Cc1cccc2c1CC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C2 ZINC001171553446 1032776539 /nfs/dbraw/zinc/77/65/39/1032776539.db2.gz QSACIDGIMNMLKJ-HKUYNNGSSA-N 1 3 300.490 3.706 20 0 DHADHO Cc1cccc2c1CC[C@H]([NH2+]CCCN1CCCC[C@H]1C)C2 ZINC001171553448 1032775616 /nfs/dbraw/zinc/77/56/16/1032775616.db2.gz QSACIDGIMNMLKJ-MJGOQNOKSA-N 1 3 300.490 3.706 20 0 DHADHO CCC[C@@H](NC[C@@H]1CC[N@H+](CCC)C1)c1ccc(OC)cc1 ZINC000151100693 1018624429 /nfs/dbraw/zinc/62/44/29/1018624429.db2.gz JEOYTVJKLXKBRN-QFBILLFUSA-N 1 3 304.478 3.858 20 0 DHADHO CCC[C@@H](NC[C@@H]1CC[N@@H+](CCC)C1)c1ccc(OC)cc1 ZINC000151100693 1018624436 /nfs/dbraw/zinc/62/44/36/1018624436.db2.gz JEOYTVJKLXKBRN-QFBILLFUSA-N 1 3 304.478 3.858 20 0 DHADHO Cc1ccc2c(c1)CC[C@@H]2NCc1ccccc1OCC[NH+](C)C ZINC000765476601 1018800129 /nfs/dbraw/zinc/80/01/29/1018800129.db2.gz YKEWWMOQQNODFF-FQEVSTJZSA-N 1 3 324.468 3.713 20 0 DHADHO C1CCC(N2CCC([NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)CC2)CC1 ZINC000921810730 1018891955 /nfs/dbraw/zinc/89/19/55/1018891955.db2.gz UTIJGLWMSOBJPW-YQVWRLOYSA-N 1 3 320.521 3.578 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@H]2Cc3ccc(F)cc3C2)CC1(C)C ZINC001171629689 1032795940 /nfs/dbraw/zinc/79/59/40/1032795940.db2.gz CEEPCPLRZQHZHZ-INIZCTEOSA-N 1 3 304.453 3.534 20 0 DHADHO COCCC[NH+]1CCC(N[C@H](C)c2cc(C)sc2C)CC1 ZINC000159064196 1018994815 /nfs/dbraw/zinc/99/48/15/1018994815.db2.gz PFYAELSBWJZUCM-CQSZACIVSA-N 1 3 310.507 3.516 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1Cc2cccc(Cl)c2C1 ZINC001168692693 1019059834 /nfs/dbraw/zinc/05/98/34/1019059834.db2.gz RWDCJPAUCYOVHC-ZBFHGGJFSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168692693 1019059817 /nfs/dbraw/zinc/05/98/17/1019059817.db2.gz RWDCJPAUCYOVHC-ZBFHGGJFSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1Cc2cccc(Cl)c2C1 ZINC001168692693 1019059848 /nfs/dbraw/zinc/05/98/48/1019059848.db2.gz RWDCJPAUCYOVHC-ZBFHGGJFSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171625083 1032805702 /nfs/dbraw/zinc/80/57/02/1032805702.db2.gz BDZFUDDVNVARRD-AWEZNQCLSA-N 1 3 304.478 3.564 20 0 DHADHO CN1C(C)(C)CC([NH2+]CCCOc2ccccc2)CC1(C)C ZINC001171623128 1032806240 /nfs/dbraw/zinc/80/62/40/1032806240.db2.gz LHCBCDRHMOECIE-UHFFFAOYSA-N 1 3 304.478 3.697 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657843599 1019128729 /nfs/dbraw/zinc/12/87/29/1019128729.db2.gz FACGVYANTZIALI-ZIAGYGMSSA-N 1 3 303.475 3.679 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657843599 1019128759 /nfs/dbraw/zinc/12/87/59/1019128759.db2.gz FACGVYANTZIALI-ZIAGYGMSSA-N 1 3 303.475 3.679 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657843599 1019128769 /nfs/dbraw/zinc/12/87/69/1019128769.db2.gz FACGVYANTZIALI-ZIAGYGMSSA-N 1 3 303.475 3.679 20 0 DHADHO [NH3+]CC1CCC(NCc2c(Cl)cccc2OC(F)F)CC1 ZINC000635013437 1019147112 /nfs/dbraw/zinc/14/71/12/1019147112.db2.gz STVDOFCNQITFKY-UHFFFAOYSA-N 1 3 318.795 3.549 20 0 DHADHO CN1C(C)(C)CC([NH2+]C2(CC3CC3)CCOCC2)CC1(C)C ZINC001171626819 1032810862 /nfs/dbraw/zinc/81/08/62/1032810862.db2.gz CHKCCZMKAKQUCV-UHFFFAOYSA-N 1 3 308.510 3.577 20 0 DHADHO Cc1ccc(CC[C@H](C)N2CCC([NH3+])(c3cccnc3)CC2)cc1 ZINC001171667791 1032824090 /nfs/dbraw/zinc/82/40/90/1032824090.db2.gz YVHPZJGZHCRHGB-SFHVURJKSA-N 1 3 323.484 3.661 20 0 DHADHO CN(CCc1ccc(F)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639309 1032836025 /nfs/dbraw/zinc/83/60/25/1032836025.db2.gz FAUUOVYTXBCCRE-UHFFFAOYSA-N 1 3 306.469 3.951 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C/C=C\c1ccc(F)c(F)c1)C2 ZINC000685443812 1019824718 /nfs/dbraw/zinc/82/47/18/1019824718.db2.gz LRLHJZLLVBPQMV-ZJMNABJZSA-N 1 3 306.400 3.535 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C/C=C\c1ccc(F)c(F)c1)C2 ZINC000685443812 1019824734 /nfs/dbraw/zinc/82/47/34/1019824734.db2.gz LRLHJZLLVBPQMV-ZJMNABJZSA-N 1 3 306.400 3.535 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000685455247 1019839862 /nfs/dbraw/zinc/83/98/62/1019839862.db2.gz UJEFLWPWJJYJRU-HSALFYBXSA-N 1 3 300.490 3.718 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000685470247 1019848464 /nfs/dbraw/zinc/84/84/64/1019848464.db2.gz BQLDAYMONDJIBV-BBRMVZONSA-N 1 3 314.395 3.786 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000685470247 1019848479 /nfs/dbraw/zinc/84/84/79/1019848479.db2.gz BQLDAYMONDJIBV-BBRMVZONSA-N 1 3 314.395 3.786 20 0 DHADHO C[C@@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000858357982 1032860687 /nfs/dbraw/zinc/86/06/87/1032860687.db2.gz LLJGZTXJUTZFRQ-VQIMIIECSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000858357982 1032860705 /nfs/dbraw/zinc/86/07/05/1032860705.db2.gz LLJGZTXJUTZFRQ-VQIMIIECSA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)[NH+]1CCC(N[C@@H](C)c2cc3ccncc3s2)CC1 ZINC000657909274 1019935857 /nfs/dbraw/zinc/93/58/57/1019935857.db2.gz OVLYHWQKHGKVGU-ZDUSSCGKSA-N 1 3 303.475 3.820 20 0 DHADHO c1cc(CN2CCC(C[NH2+][C@H]3CCC34CCCC4)CC2)ccn1 ZINC000658166226 1020199597 /nfs/dbraw/zinc/19/95/97/1020199597.db2.gz NEQGAKUWTPKVTB-IBGZPJMESA-N 1 3 313.489 3.606 20 0 DHADHO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000658217682 1020247548 /nfs/dbraw/zinc/24/75/48/1020247548.db2.gz HIUMXUKFZYZPGW-XIRDDKMYSA-N 1 3 308.416 3.532 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000658281227 1020274317 /nfs/dbraw/zinc/27/43/17/1020274317.db2.gz OEDKSQJVJJCAFN-FVQBIDKESA-N 1 3 314.464 3.910 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000658281229 1020274870 /nfs/dbraw/zinc/27/48/70/1020274870.db2.gz OEDKSQJVJJCAFN-VNQPRFMTSA-N 1 3 314.464 3.910 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2C(C)(C)C2(F)F)CC1 ZINC000658281228 1020275616 /nfs/dbraw/zinc/27/56/16/1020275616.db2.gz OEDKSQJVJJCAFN-KBMXLJTQSA-N 1 3 314.464 3.910 20 0 DHADHO CO[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C1CCCC1 ZINC000658313609 1020295334 /nfs/dbraw/zinc/29/53/34/1020295334.db2.gz DWHVGEZATDDGDR-LSTHTHJFSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCc2ccco2)CC1 ZINC000658326093 1020302768 /nfs/dbraw/zinc/30/27/68/1020302768.db2.gz BHNUGVLCTNZJHU-APWZRJJASA-N 1 3 304.478 3.845 20 0 DHADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000623657808 1020343693 /nfs/dbraw/zinc/34/36/93/1020343693.db2.gz ZMEAFSYIROQURT-HOCLYGCPSA-N 1 3 306.881 3.519 20 0 DHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(C)ccc2C)[C@H](C)C1 ZINC000115628212 1020346484 /nfs/dbraw/zinc/34/64/84/1020346484.db2.gz FIUMCNITGRFTFH-UYAOXDASSA-N 1 3 318.505 3.530 20 0 DHADHO CCOCCC[N@H+]1CC[C@@H](NCc2cc(C)ccc2C)[C@H](C)C1 ZINC000115628212 1020346498 /nfs/dbraw/zinc/34/64/98/1020346498.db2.gz FIUMCNITGRFTFH-UYAOXDASSA-N 1 3 318.505 3.530 20 0 DHADHO CCC[C@H](C)CCCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000625117376 1020377569 /nfs/dbraw/zinc/37/75/69/1020377569.db2.gz DFLIZPVNVHTGOG-UFYCRDLUSA-N 1 3 323.569 3.693 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(CC)nc2)CC1 ZINC000347647335 1020436061 /nfs/dbraw/zinc/43/60/61/1020436061.db2.gz LFBHVXBLDNJYLJ-UHFFFAOYSA-N 1 3 303.494 3.588 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(CC)nc2)CC1 ZINC000347647335 1020436064 /nfs/dbraw/zinc/43/60/64/1020436064.db2.gz LFBHVXBLDNJYLJ-UHFFFAOYSA-N 1 3 303.494 3.588 20 0 DHADHO C[C@@H]1C[C@@H](N(C)CCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000172574327 1020529849 /nfs/dbraw/zinc/52/98/49/1020529849.db2.gz VWXXEDZIFKGDRJ-NQIIRXRSSA-N 1 3 323.484 3.609 20 0 DHADHO C[C@@H]1C[C@@H](N(C)CCc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000172574327 1020529857 /nfs/dbraw/zinc/52/98/57/1020529857.db2.gz VWXXEDZIFKGDRJ-NQIIRXRSSA-N 1 3 323.484 3.609 20 0 DHADHO COc1c(C)cc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc1C ZINC000734849825 1020670539 /nfs/dbraw/zinc/67/05/39/1020670539.db2.gz OEYZNILBCBIIQD-KRWDZBQOSA-N 1 3 306.494 3.768 20 0 DHADHO C[C@H]1C[C@H](NCc2cn(C(F)F)c3ccccc23)CC[N@@H+]1C ZINC000858537831 1032939350 /nfs/dbraw/zinc/93/93/50/1032939350.db2.gz XZABJOZWMCZYFD-GXTWGEPZSA-N 1 3 307.388 3.609 20 0 DHADHO C[C@H]1C[C@H](NCc2cn(C(F)F)c3ccccc23)CC[N@H+]1C ZINC000858537831 1032939360 /nfs/dbraw/zinc/93/93/60/1032939360.db2.gz XZABJOZWMCZYFD-GXTWGEPZSA-N 1 3 307.388 3.609 20 0 DHADHO CC(C)[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCO1 ZINC000537936358 1032945664 /nfs/dbraw/zinc/94/56/64/1032945664.db2.gz OGZPBUQSZGJBLE-LMCOJAPRSA-N 1 3 322.537 3.823 20 0 DHADHO CO[C@@](C)([C@H](C)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000414228006 1021016930 /nfs/dbraw/zinc/01/69/30/1021016930.db2.gz DCACWHBZYMMCNZ-LPWQTFTOSA-N 1 3 322.537 3.823 20 0 DHADHO CO[C@@](C)([C@H](C)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000414228006 1021016935 /nfs/dbraw/zinc/01/69/35/1021016935.db2.gz DCACWHBZYMMCNZ-LPWQTFTOSA-N 1 3 322.537 3.823 20 0 DHADHO C(N1CCCCCCC1)C1(C[NH+]2CCCCCCC2)COC1 ZINC000741753134 1021048614 /nfs/dbraw/zinc/04/86/14/1021048614.db2.gz OJYJJEXKOVYFKX-UHFFFAOYSA-N 1 3 308.510 3.535 20 0 DHADHO N[C@H]1C[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)c2ccccc21 ZINC000423023871 1021085515 /nfs/dbraw/zinc/08/55/15/1021085515.db2.gz IIOQRXQOLRMVOF-VQTJNVASSA-N 1 3 322.452 3.860 20 0 DHADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)c1cccnc1 ZINC000414342014 1021110829 /nfs/dbraw/zinc/11/08/29/1021110829.db2.gz WSWKFONAJPDJFK-UHFFFAOYSA-N 1 3 315.505 3.746 20 0 DHADHO Cc1cc2c(cc1C)[C@H](NC[C@H]1CCC[N@@H+](C)C1)CCS2 ZINC000187187946 1021170254 /nfs/dbraw/zinc/17/02/54/1021170254.db2.gz WZISUMPQUATZME-NVXWUHKLSA-N 1 3 304.503 3.772 20 0 DHADHO Cc1cc2c(cc1C)[C@H](NC[C@H]1CCC[N@H+](C)C1)CCS2 ZINC000187187946 1021170257 /nfs/dbraw/zinc/17/02/57/1021170257.db2.gz WZISUMPQUATZME-NVXWUHKLSA-N 1 3 304.503 3.772 20 0 DHADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000423369568 1021188781 /nfs/dbraw/zinc/18/87/81/1021188781.db2.gz FDTWQUIKYWXKLR-ZNMIVQPWSA-N 1 3 311.267 3.760 20 0 DHADHO Cc1cc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)sc1Br ZINC000423380343 1021195073 /nfs/dbraw/zinc/19/50/73/1021195073.db2.gz YLBPZMLVDCAUDV-AXFHLTTASA-N 1 3 317.296 3.740 20 0 DHADHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000537971956 1032969777 /nfs/dbraw/zinc/96/97/77/1032969777.db2.gz ODNGHNJMUBWZFZ-OTWHNJEPSA-N 1 3 318.505 3.843 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1Cl ZINC000624120571 1021391898 /nfs/dbraw/zinc/39/18/98/1021391898.db2.gz BTPFQHHCLKGFTE-KGLIPLIRSA-N 1 3 310.869 3.731 20 0 DHADHO CC(C)(CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(F)(F)F ZINC000566088803 1032979686 /nfs/dbraw/zinc/97/96/86/1032979686.db2.gz PQBCHFQYZBXKTI-UONOGXRCSA-N 1 3 300.368 3.658 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058518 1021507264 /nfs/dbraw/zinc/50/72/64/1021507264.db2.gz LCYIBQGVERYOFG-LSDHHAIUSA-N 1 3 300.421 3.971 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058518 1021507274 /nfs/dbraw/zinc/50/72/74/1021507274.db2.gz LCYIBQGVERYOFG-LSDHHAIUSA-N 1 3 300.421 3.971 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC000556058518 1021507283 /nfs/dbraw/zinc/50/72/83/1021507283.db2.gz LCYIBQGVERYOFG-LSDHHAIUSA-N 1 3 300.421 3.971 20 0 DHADHO CC(C)CC[NH+]1CCC(CN[C@@H](C)c2ccncc2F)CC1 ZINC000556104877 1021525416 /nfs/dbraw/zinc/52/54/16/1021525416.db2.gz MUZZHXLAKJEJPN-HNNXBMFYSA-N 1 3 307.457 3.629 20 0 DHADHO C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123133 1021547692 /nfs/dbraw/zinc/54/76/92/1021547692.db2.gz GLYWCADBPJDPKF-CVEARBPZSA-N 1 3 300.446 3.685 20 0 DHADHO COc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000093336948 1021561829 /nfs/dbraw/zinc/56/18/29/1021561829.db2.gz OMSITRHPFHNUNE-FQEVSTJZSA-N 1 3 324.468 3.649 20 0 DHADHO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000093336948 1021561841 /nfs/dbraw/zinc/56/18/41/1021561841.db2.gz OMSITRHPFHNUNE-FQEVSTJZSA-N 1 3 324.468 3.649 20 0 DHADHO C[C@H](N)c1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068376 1032993688 /nfs/dbraw/zinc/99/36/88/1032993688.db2.gz QKJVITOYPRMJDH-KANFNMMFSA-N 1 3 324.472 3.661 20 0 DHADHO C[C@H](N)c1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068376 1032993700 /nfs/dbraw/zinc/99/37/00/1032993700.db2.gz QKJVITOYPRMJDH-KANFNMMFSA-N 1 3 324.472 3.661 20 0 DHADHO C[C@H](N)c1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068373 1032994798 /nfs/dbraw/zinc/99/47/98/1032994798.db2.gz QKJVITOYPRMJDH-GDAAHCPNSA-N 1 3 324.472 3.661 20 0 DHADHO C[C@H](N)c1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068373 1032994810 /nfs/dbraw/zinc/99/48/10/1032994810.db2.gz QKJVITOYPRMJDH-GDAAHCPNSA-N 1 3 324.472 3.661 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCSc3ccccc3C1)C2 ZINC001172131093 1032998673 /nfs/dbraw/zinc/99/86/73/1032998673.db2.gz UQWAVLOHLOPSGG-FVQHAEBGSA-N 1 3 302.487 3.610 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCSc3ccccc3C1)C2 ZINC001172131093 1032998680 /nfs/dbraw/zinc/99/86/80/1032998680.db2.gz UQWAVLOHLOPSGG-FVQHAEBGSA-N 1 3 302.487 3.610 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001172110841 1033013149 /nfs/dbraw/zinc/01/31/49/1033013149.db2.gz PXMGCRHGMPHIQX-KYHPRHEASA-N 1 3 319.880 3.791 20 0 DHADHO CCc1nocc1CN1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000556867775 1021903640 /nfs/dbraw/zinc/90/36/40/1021903640.db2.gz YJNZFGFDKFPNDX-UHFFFAOYSA-N 1 3 321.509 3.817 20 0 DHADHO CCc1nocc1CN1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000556867775 1021903649 /nfs/dbraw/zinc/90/36/49/1021903649.db2.gz YJNZFGFDKFPNDX-UHFFFAOYSA-N 1 3 321.509 3.817 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](C)CSC)ccc1OC ZINC000182995891 1021920299 /nfs/dbraw/zinc/92/02/99/1021920299.db2.gz BAAKSGHDKHDESE-HUUCEWRRSA-N 1 3 324.534 3.939 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCCc3c(F)cccc31)C2 ZINC001172113465 1033016203 /nfs/dbraw/zinc/01/62/03/1033016203.db2.gz HISJXDJCYMOHIX-YGTYGHESSA-N 1 3 302.437 3.808 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCCc3c(F)cccc31)C2 ZINC001172113465 1033016210 /nfs/dbraw/zinc/01/62/10/1033016210.db2.gz HISJXDJCYMOHIX-YGTYGHESSA-N 1 3 302.437 3.808 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3F)CCC1)C2 ZINC001172113901 1033018473 /nfs/dbraw/zinc/01/84/73/1033018473.db2.gz KMZCAPCIKNIDGE-PHZGNYQRSA-N 1 3 302.437 3.810 20 0 DHADHO CC(C)(C)SCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000852116310 1022077312 /nfs/dbraw/zinc/07/73/12/1022077312.db2.gz NFMXAOMOLULSLC-UHFFFAOYSA-N 1 3 306.519 3.772 20 0 DHADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000853093008 1022217217 /nfs/dbraw/zinc/21/72/17/1022217217.db2.gz ZDLLGTXAWZBUHN-ARFHVFGLSA-N 1 3 318.427 3.819 20 0 DHADHO CC(C)C[C@@H](Cc1ccccc1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001169086822 1022256767 /nfs/dbraw/zinc/25/67/67/1022256767.db2.gz WOVSJMZOXNSQJM-IBGZPJMESA-N 1 3 300.490 3.671 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)cc1)C2 ZINC001169109049 1022268476 /nfs/dbraw/zinc/26/84/76/1022268476.db2.gz HCTBECQLRBRJKE-OSYLJGHBSA-N 1 3 302.462 3.579 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C)Cc1ccc(C(F)(F)F)cc1)C2 ZINC001169148759 1022279191 /nfs/dbraw/zinc/27/91/91/1022279191.db2.gz ZXGJGDYWVRCDOW-ZSHCYNCHSA-N 1 3 312.379 3.762 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)Cc1ccc(C(F)(F)F)cc1)C2 ZINC001169148759 1022279193 /nfs/dbraw/zinc/27/91/93/1022279193.db2.gz ZXGJGDYWVRCDOW-ZSHCYNCHSA-N 1 3 312.379 3.762 20 0 DHADHO C[C@@H]1C[C@@H](NCc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268874754 1022385529 /nfs/dbraw/zinc/38/55/29/1022385529.db2.gz VECTUEIPMNOHNG-APWZRJJASA-N 1 3 310.441 3.535 20 0 DHADHO C[C@@H]1C[C@@H](NCc2ccc(O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268874754 1022385546 /nfs/dbraw/zinc/38/55/46/1022385546.db2.gz VECTUEIPMNOHNG-APWZRJJASA-N 1 3 310.441 3.535 20 0 DHADHO C[C@H]1C[C@H](NCc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268874756 1022387813 /nfs/dbraw/zinc/38/78/13/1022387813.db2.gz VECTUEIPMNOHNG-QFBILLFUSA-N 1 3 310.441 3.535 20 0 DHADHO C[C@H]1C[C@H](NCc2ccc(O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268874756 1022387826 /nfs/dbraw/zinc/38/78/26/1022387826.db2.gz VECTUEIPMNOHNG-QFBILLFUSA-N 1 3 310.441 3.535 20 0 DHADHO CC(C)[NH+](CCCNC1CCN(c2ccccc2)CC1)C(C)C ZINC000155828911 1022421939 /nfs/dbraw/zinc/42/19/39/1022421939.db2.gz AGDPVQMLLZWICJ-UHFFFAOYSA-N 1 3 317.521 3.754 20 0 DHADHO C[C@H](NCc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000396456909 1022473680 /nfs/dbraw/zinc/47/36/80/1022473680.db2.gz NGFWFYKMLAGORY-NSHDSACASA-N 1 3 301.261 3.813 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccncc1 ZINC000272260284 1022497305 /nfs/dbraw/zinc/49/73/05/1022497305.db2.gz WZBWXLKWKZTKJM-ZWOKBUDYSA-N 1 3 309.457 3.643 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1cccnc1 ZINC000272264906 1022497841 /nfs/dbraw/zinc/49/78/41/1022497841.db2.gz XPKJODRPGWZRBU-ZWOKBUDYSA-N 1 3 309.457 3.643 20 0 DHADHO C[C@@H](NCc1ccc2c(c1)COC2)c1cccc(C[NH+](C)C)c1 ZINC000925569285 1022541887 /nfs/dbraw/zinc/54/18/87/1022541887.db2.gz ZXMRTQNHNBBTJJ-OAHLLOKOSA-N 1 3 310.441 3.629 20 0 DHADHO C[C@@H]1CN(Cc2csc(C(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001206024372 1022589748 /nfs/dbraw/zinc/58/97/48/1022589748.db2.gz IXKRCYSIHRHLPZ-ZYHUDNBSSA-N 1 3 306.397 3.574 20 0 DHADHO CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605384 1022839038 /nfs/dbraw/zinc/83/90/38/1022839038.db2.gz WJKFTOMZHIYWOG-VQIMIIECSA-N 1 3 319.493 3.564 20 0 DHADHO CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605384 1022839053 /nfs/dbraw/zinc/83/90/53/1022839053.db2.gz WJKFTOMZHIYWOG-VQIMIIECSA-N 1 3 319.493 3.564 20 0 DHADHO COc1ccccc1-c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414911117 1022910404 /nfs/dbraw/zinc/91/04/04/1022910404.db2.gz DLKZFBSOZWPARW-QZTJIDSGSA-N 1 3 310.441 3.722 20 0 DHADHO CC[C@@H](C)OCC[C@H](C)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172326846 1033089722 /nfs/dbraw/zinc/08/97/22/1033089722.db2.gz BJXHQQAHAIAOQJ-ZWKOTPCHSA-N 1 3 318.505 3.616 20 0 DHADHO CC[C@H](C)OCC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001172337300 1033120547 /nfs/dbraw/zinc/12/05/47/1033120547.db2.gz PNHYTVHPRJZTII-SJORKVTESA-N 1 3 310.526 3.967 20 0 DHADHO COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000194884150 1023325168 /nfs/dbraw/zinc/32/51/68/1023325168.db2.gz NDSAYEIRUVEZPM-VQIMIIECSA-N 1 3 316.489 3.783 20 0 DHADHO c1ccc(CNC2CC[NH+](CCCOc3ccccc3)CC2)cc1 ZINC000660675040 1023375685 /nfs/dbraw/zinc/37/56/85/1023375685.db2.gz WJQKLCIASJSOKT-UHFFFAOYSA-N 1 3 324.468 3.710 20 0 DHADHO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925719205 1023417074 /nfs/dbraw/zinc/41/70/74/1023417074.db2.gz MBNJJBLKFYMXPC-GJZGRUSLSA-N 1 3 302.453 3.816 20 0 DHADHO CN1C[C@@H]2C[N@@H+](Cc3ccc4oc5ccccc5c4c3)C[C@@H]2C1 ZINC000785938989 1023643436 /nfs/dbraw/zinc/64/34/36/1023643436.db2.gz BEQZPCXVTUAVSW-IYBDPMFKSA-N 1 3 306.409 3.579 20 0 DHADHO CN1C[C@@H]2C[N@H+](Cc3ccc4oc5ccccc5c4c3)C[C@@H]2C1 ZINC000785938989 1023643439 /nfs/dbraw/zinc/64/34/39/1023643439.db2.gz BEQZPCXVTUAVSW-IYBDPMFKSA-N 1 3 306.409 3.579 20 0 DHADHO Cc1ccc(CN(Cc2ccco2)CC2CC[NH+](C)CC2)s1 ZINC000788475644 1023891456 /nfs/dbraw/zinc/89/14/56/1023891456.db2.gz HYYVBRSDMFYXGG-UHFFFAOYSA-N 1 3 318.486 3.994 20 0 DHADHO C[NH+]1CCC(CN[C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000788488338 1023893676 /nfs/dbraw/zinc/89/36/76/1023893676.db2.gz KQQGNUNYSPYLAV-OAHLLOKOSA-N 1 3 318.358 3.751 20 0 DHADHO CC[C@@H](CC(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001172393204 1033175941 /nfs/dbraw/zinc/17/59/41/1033175941.db2.gz ISLMJEMSJGKPDJ-IBGZPJMESA-N 1 3 303.494 3.708 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCCOc2ccccc2C)C[C@@H]1C ZINC000531141208 1024031125 /nfs/dbraw/zinc/03/11/25/1024031125.db2.gz RVHLHZIASLSZEP-ROUUACIJSA-N 1 3 304.478 3.569 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCCOc2ccccc2C)C[C@@H]1C ZINC000531141208 1024031140 /nfs/dbraw/zinc/03/11/40/1024031140.db2.gz RVHLHZIASLSZEP-ROUUACIJSA-N 1 3 304.478 3.569 20 0 DHADHO C[C@H](c1ccc(F)c(F)c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291131 1024071647 /nfs/dbraw/zinc/07/16/47/1024071647.db2.gz BKOWUSNGAOPVGE-CZUORRHYSA-N 1 3 308.416 3.737 20 0 DHADHO C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000269003732 1024217566 /nfs/dbraw/zinc/21/75/66/1024217566.db2.gz MCAXGZUAYMUUCW-LLVKDONJSA-N 1 3 312.379 3.771 20 0 DHADHO Clc1nccc2oc(C[NH2+]C3CCN(C4CCC4)CC3)cc21 ZINC000876972972 1033194032 /nfs/dbraw/zinc/19/40/32/1033194032.db2.gz UGPZZYLVZSVSCJ-UHFFFAOYSA-N 1 3 319.836 3.588 20 0 DHADHO C[C@@H](CCCc1cccnc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000453090884 1024326098 /nfs/dbraw/zinc/32/60/98/1024326098.db2.gz POTBIJIPOQPBCH-ROUUACIJSA-N 1 3 303.494 3.647 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000270504681 1024397972 /nfs/dbraw/zinc/39/79/72/1024397972.db2.gz OEQJJLVRNJBTTK-GHMZBOCLSA-N 1 3 316.276 3.568 20 0 DHADHO Cc1ccoc1C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000531864345 1024409915 /nfs/dbraw/zinc/40/99/15/1024409915.db2.gz XHHUKCOQIKUVRP-IRXDYDNUSA-N 1 3 312.457 3.834 20 0 DHADHO FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+]CC23CC(C2)CN3)cc1 ZINC000663499517 1024490931 /nfs/dbraw/zinc/49/09/31/1024490931.db2.gz XVIHIQYTLBLNTN-WGMOCZARSA-N 1 3 324.390 3.683 20 0 DHADHO c1cnc2ccc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2c1 ZINC000271394123 1024497435 /nfs/dbraw/zinc/49/74/35/1024497435.db2.gz UNRVQLPSVPVPRV-WIYYLYMNSA-N 1 3 321.468 3.684 20 0 DHADHO c1cnc2ccc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2c1 ZINC000271394123 1024497440 /nfs/dbraw/zinc/49/74/40/1024497440.db2.gz UNRVQLPSVPVPRV-WIYYLYMNSA-N 1 3 321.468 3.684 20 0 DHADHO c1c2ccccc2oc1[C@@H](NCC1CC[NH2+]CC1)c1cccnc1 ZINC000643497694 1024500559 /nfs/dbraw/zinc/50/05/59/1024500559.db2.gz VRPLMAGZELBBDO-FQEVSTJZSA-N 1 3 321.424 3.506 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Cl)s1 ZINC000925784322 1024508122 /nfs/dbraw/zinc/50/81/22/1024508122.db2.gz QXLJZYICOGPKPU-NXEZZACHSA-N 1 3 308.825 3.687 20 0 DHADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1nc(C(F)(F)F)cs1 ZINC000453390695 1024510633 /nfs/dbraw/zinc/51/06/33/1024510633.db2.gz DDUDAIKNKUJFGT-JTQLQIEISA-N 1 3 321.412 3.687 20 0 DHADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1nc(C(F)(F)F)cs1 ZINC000453390695 1024510641 /nfs/dbraw/zinc/51/06/41/1024510641.db2.gz DDUDAIKNKUJFGT-JTQLQIEISA-N 1 3 321.412 3.687 20 0 DHADHO CC[NH+](CC)CCC[C@@H](C)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001167835295 1024610827 /nfs/dbraw/zinc/61/08/27/1024610827.db2.gz RFWDAAFRSIYUBB-WSTZPKSXSA-N 1 3 318.505 3.959 20 0 DHADHO CC[C@H]1C[C@@H](N2CCC([NH3+])(c3cccc(Cl)c3)CC2)CCO1 ZINC001170198523 1024697607 /nfs/dbraw/zinc/69/76/07/1024697607.db2.gz XOBITIMZVHDEJW-IRXDYDNUSA-N 1 3 322.880 3.547 20 0 DHADHO Cc1ccc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350511441 1024823135 /nfs/dbraw/zinc/82/31/35/1024823135.db2.gz KNASLUVWJGJERO-SFTDATJTSA-N 1 3 323.484 3.562 20 0 DHADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1Cl ZINC000166596943 1025082359 /nfs/dbraw/zinc/08/23/59/1025082359.db2.gz PZRQFDNWJBAFKF-LSDHHAIUSA-N 1 3 324.871 3.973 20 0 DHADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1Cl ZINC000166596943 1025082376 /nfs/dbraw/zinc/08/23/76/1025082376.db2.gz PZRQFDNWJBAFKF-LSDHHAIUSA-N 1 3 324.871 3.973 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(C)c1 ZINC000353502454 1025092321 /nfs/dbraw/zinc/09/23/21/1025092321.db2.gz LKLYDFXFWPWXJF-GGPKGHCWSA-N 1 3 318.505 3.925 20 0 DHADHO Cc1c[nH+]ccc1N1CCN([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565906 1033258803 /nfs/dbraw/zinc/25/88/03/1033258803.db2.gz PXEHLNLOGDSAAV-UXHICEINSA-N 1 3 321.468 3.848 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(F)c3cccnc23)[C@@H](C)C1 ZINC000353747375 1025227509 /nfs/dbraw/zinc/22/75/09/1025227509.db2.gz ADONIFXCBBDCGD-KSSFIOAISA-N 1 3 315.436 3.536 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c3cccnc23)[C@@H](C)C1 ZINC000353747375 1025227524 /nfs/dbraw/zinc/22/75/24/1025227524.db2.gz ADONIFXCBBDCGD-KSSFIOAISA-N 1 3 315.436 3.536 20 0 DHADHO Cc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000539071061 1033268776 /nfs/dbraw/zinc/26/87/76/1033268776.db2.gz MTCGPPUOFOFADK-CEXWTWQISA-N 1 3 318.505 3.843 20 0 DHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000122977736 1025245982 /nfs/dbraw/zinc/24/59/82/1025245982.db2.gz APKRLRRIFXZPMM-OAHLLOKOSA-N 1 3 320.477 3.619 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCOc1ccc(C(C)(C)C)cc1 ZINC000539072335 1033270000 /nfs/dbraw/zinc/27/00/00/1033270000.db2.gz PPCCTYVTUJZIGS-JTDSTZFVSA-N 1 3 318.505 3.681 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCOc1ccc(C(C)(C)C)cc1 ZINC000539072335 1033270007 /nfs/dbraw/zinc/27/00/07/1033270007.db2.gz PPCCTYVTUJZIGS-JTDSTZFVSA-N 1 3 318.505 3.681 20 0 DHADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000279825943 1025278977 /nfs/dbraw/zinc/27/89/77/1025278977.db2.gz YNIDSVYRQMSLIQ-CRAIPNDOSA-N 1 3 304.478 3.615 20 0 DHADHO C[N@@H+]1CCC[C@]2(CCN(Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC000354166760 1025375203 /nfs/dbraw/zinc/37/52/03/1025375203.db2.gz MJPCVAWIRPXUDY-NRFANRHFSA-N 1 3 321.468 3.666 20 0 DHADHO C[N@H+]1CCC[C@]2(CCN(Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC000354166760 1025375210 /nfs/dbraw/zinc/37/52/10/1025375210.db2.gz MJPCVAWIRPXUDY-NRFANRHFSA-N 1 3 321.468 3.666 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1cccc(OC)c1 ZINC000125768781 1025490276 /nfs/dbraw/zinc/49/02/76/1025490276.db2.gz LLBODXPRCODXNS-LPHOPBHVSA-N 1 3 304.478 3.856 20 0 DHADHO CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CCC2 ZINC000125856668 1025495938 /nfs/dbraw/zinc/49/59/38/1025495938.db2.gz OGUKPAWWAZXWEF-LSDHHAIUSA-N 1 3 321.534 3.793 20 0 DHADHO CN(C)CC1(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CCCC1 ZINC000355031828 1025585100 /nfs/dbraw/zinc/58/51/00/1025585100.db2.gz BDCJYIVOKWJJCM-QGZVFWFLSA-N 1 3 320.452 3.751 20 0 DHADHO c1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1CCC2 ZINC000355217286 1025643932 /nfs/dbraw/zinc/64/39/32/1025643932.db2.gz GGEZVLYDFLCPBQ-PZJWPPBQSA-N 1 3 310.485 3.624 20 0 DHADHO c1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1CCC2 ZINC000355217286 1025643943 /nfs/dbraw/zinc/64/39/43/1025643943.db2.gz GGEZVLYDFLCPBQ-PZJWPPBQSA-N 1 3 310.485 3.624 20 0 DHADHO CC1([NH+]2CCCC2)CCC(NCc2nc(C3CC3)cs2)CC1 ZINC000886551528 1025699600 /nfs/dbraw/zinc/69/96/00/1025699600.db2.gz JOSIXRYBPPCHLV-UHFFFAOYSA-N 1 3 319.518 3.907 20 0 DHADHO C[N@@H+]1CCCC[C@H]1CCN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886612555 1025735542 /nfs/dbraw/zinc/73/55/42/1025735542.db2.gz OMOGPLJSRJUYBR-KKUMJFAQSA-N 1 3 304.400 3.525 20 0 DHADHO C[N@H+]1CCCC[C@H]1CCN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886612555 1025735559 /nfs/dbraw/zinc/73/55/59/1025735559.db2.gz OMOGPLJSRJUYBR-KKUMJFAQSA-N 1 3 304.400 3.525 20 0 DHADHO Cc1csc(C[C@@H]2CCC[N@H+](CCCN3CCCCC3)C2)n1 ZINC000886691328 1025796248 /nfs/dbraw/zinc/79/62/48/1025796248.db2.gz BODXHLDEBNFQNN-KRWDZBQOSA-N 1 3 321.534 3.582 20 0 DHADHO Cc1csc(C[C@@H]2CCC[N@@H+](CCCN3CCCCC3)C2)n1 ZINC000886691328 1025796263 /nfs/dbraw/zinc/79/62/63/1025796263.db2.gz BODXHLDEBNFQNN-KRWDZBQOSA-N 1 3 321.534 3.582 20 0 DHADHO COC1(C[C@H](C)[NH2+]C2CCN(CC3CCCCC3)CC2)CCC1 ZINC000759989608 1025814721 /nfs/dbraw/zinc/81/47/21/1025814721.db2.gz SUUQZFWPBZZRQG-KRWDZBQOSA-N 1 3 322.537 3.968 20 0 DHADHO COC1(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CCC1 ZINC000429424268 1026113559 /nfs/dbraw/zinc/11/35/59/1026113559.db2.gz ZPGFEWZVPLISBF-GVDBMIGSSA-N 1 3 308.510 3.577 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000513656949 1026552631 /nfs/dbraw/zinc/55/26/31/1026552631.db2.gz ZLRAVIXZNLMYGE-OWCLPIDISA-N 1 3 312.379 3.668 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000513656949 1026552637 /nfs/dbraw/zinc/55/26/37/1026552637.db2.gz ZLRAVIXZNLMYGE-OWCLPIDISA-N 1 3 312.379 3.668 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000513656949 1026552646 /nfs/dbraw/zinc/55/26/46/1026552646.db2.gz ZLRAVIXZNLMYGE-OWCLPIDISA-N 1 3 312.379 3.668 20 0 DHADHO COCc1cccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809736974 1026609179 /nfs/dbraw/zinc/60/91/79/1026609179.db2.gz AFYOCQIABCLYEU-UHFFFAOYSA-N 1 3 312.457 3.527 20 0 DHADHO Cc1cccc(CN(CC[C@@H]2CCC[NH2+]C2)Cc2ccccn2)c1 ZINC000420314003 1026801513 /nfs/dbraw/zinc/80/15/13/1026801513.db2.gz JRBGKDHOQUZSBC-IBGZPJMESA-N 1 3 323.484 3.782 20 0 DHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000420317133 1026803660 /nfs/dbraw/zinc/80/36/60/1026803660.db2.gz NGQYCAXBQPIIFW-QUCCMNQESA-N 1 3 310.441 3.575 20 0 DHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000420317133 1026803667 /nfs/dbraw/zinc/80/36/67/1026803667.db2.gz NGQYCAXBQPIIFW-QUCCMNQESA-N 1 3 310.441 3.575 20 0 DHADHO C[C@H](c1cccc(Cl)c1)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420391934 1026812003 /nfs/dbraw/zinc/81/20/03/1026812003.db2.gz OVPHRJDPYCVOKQ-FSPWUOQZSA-N 1 3 322.880 3.619 20 0 DHADHO Cc1cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000420385003 1026812552 /nfs/dbraw/zinc/81/25/52/1026812552.db2.gz FAPSOJKYHAVUAT-OXJNMPFZSA-N 1 3 309.457 3.507 20 0 DHADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccncc1Cl ZINC000421822407 1027056802 /nfs/dbraw/zinc/05/68/02/1027056802.db2.gz WTYIUCQOJJNOHA-LSDHHAIUSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccncc1Cl ZINC000421822407 1027056806 /nfs/dbraw/zinc/05/68/06/1027056806.db2.gz WTYIUCQOJJNOHA-LSDHHAIUSA-N 1 3 309.885 3.898 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000422729274 1027298924 /nfs/dbraw/zinc/29/89/24/1027298924.db2.gz KGMWGCNQGABICU-ZSFPCNDZSA-N 1 3 303.494 3.960 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422758584 1027304832 /nfs/dbraw/zinc/30/48/32/1027304832.db2.gz KLAYHDQSCJGZCY-LPHOPBHVSA-N 1 3 314.498 3.790 20 0 DHADHO CN(CCCCN[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422745036 1027312342 /nfs/dbraw/zinc/31/23/42/1027312342.db2.gz XBLJYOVPKAZHQR-PMACEKPBSA-N 1 3 309.457 3.637 20 0 DHADHO CC(C)(C)[C@@H]1OCCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422754845 1027313112 /nfs/dbraw/zinc/31/31/12/1027313112.db2.gz GGMZNSWVLAAXHF-BNEJOLLZSA-N 1 3 302.462 3.562 20 0 DHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCSc1ccccc1 ZINC000422768223 1027314870 /nfs/dbraw/zinc/31/48/70/1027314870.db2.gz ZHVQXKDSJKKSIC-LPHOPBHVSA-N 1 3 314.498 3.717 20 0 DHADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422776937 1027320468 /nfs/dbraw/zinc/32/04/68/1027320468.db2.gz BHHORYLWPXJEPK-GJZGRUSLSA-N 1 3 312.379 3.597 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422786311 1027322989 /nfs/dbraw/zinc/32/29/89/1027322989.db2.gz KTYQWVADXXCTHL-BZZMCLGOSA-N 1 3 304.503 3.678 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1F ZINC000422798699 1027327641 /nfs/dbraw/zinc/32/76/41/1027327641.db2.gz SLEJNHBPYUONJQ-NWDGAFQWSA-N 1 3 319.399 3.581 20 0 DHADHO CC[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422789498 1027331872 /nfs/dbraw/zinc/33/18/72/1027331872.db2.gz WXZUPYLHUTXEHU-IRFCIJBXSA-N 1 3 322.452 3.983 20 0 DHADHO N[C@@H]1C[C@H]([NH2+]C[C@@H]2SCCc3ccccc32)c2ccccc21 ZINC000422838286 1027337958 /nfs/dbraw/zinc/33/79/58/1027337958.db2.gz OALKGLJOTKBXJD-QYZOEREBSA-N 1 3 310.466 3.751 20 0 DHADHO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422838031 1027340465 /nfs/dbraw/zinc/34/04/65/1027340465.db2.gz NPWPRYZCUZGBMD-XOKHGSTOSA-N 1 3 307.507 3.564 20 0 DHADHO Cc1ccc2c(CCN[C@H]3C[C@H]([NH3+])c4ccccc43)c[nH]c2c1 ZINC000422852552 1027342038 /nfs/dbraw/zinc/34/20/38/1027342038.db2.gz XYWPCHZTNQQPKS-ICSRJNTNSA-N 1 3 305.425 3.753 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCSc2ccccc21 ZINC000422853109 1027343248 /nfs/dbraw/zinc/34/32/48/1027343248.db2.gz BKFGNNLWYLUKFG-SUMWQHHRSA-N 1 3 313.470 3.736 20 0 DHADHO Cc1ccc(OCCCCN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422897143 1027352634 /nfs/dbraw/zinc/35/26/34/1027352634.db2.gz JEEBFRIYJHUIDY-VQTJNVASSA-N 1 3 310.441 3.888 20 0 DHADHO CC(C)c1nc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cs1 ZINC000422906032 1027355218 /nfs/dbraw/zinc/35/52/18/1027355218.db2.gz TZCIGCROPVNPBL-YESZJQIVSA-N 1 3 321.534 3.709 20 0 DHADHO Cc1cc(C)cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000422915313 1027359775 /nfs/dbraw/zinc/35/97/75/1027359775.db2.gz ASULVSQBSMEHCS-HZPDHXFCSA-N 1 3 311.473 3.747 20 0 DHADHO COc1cc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])ccc1OCCC(C)C ZINC000422942497 1027370531 /nfs/dbraw/zinc/37/05/31/1027370531.db2.gz KMJIFCWFUJRIBO-XHSDSOJGSA-N 1 3 322.493 3.897 20 0 DHADHO COc1ccc(C(C)(C)CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422940642 1027370714 /nfs/dbraw/zinc/37/07/14/1027370714.db2.gz HIMUXEUCYZZBJQ-OALUTQOASA-N 1 3 310.441 3.707 20 0 DHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccc(F)cc1Cl ZINC000422955461 1027379843 /nfs/dbraw/zinc/37/98/43/1027379843.db2.gz LYOKNBOEYZTYCQ-UGSOOPFHSA-N 1 3 320.839 3.570 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422981481 1027387807 /nfs/dbraw/zinc/38/78/07/1027387807.db2.gz OHXMTGXDWKRVJZ-YSIASYRMSA-N 1 3 316.489 3.578 20 0 DHADHO Fc1ccc(C2(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000423016769 1027389496 /nfs/dbraw/zinc/38/94/96/1027389496.db2.gz UNQMOIZQQQTRFQ-JCGIZDLHSA-N 1 3 320.427 3.507 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423045969 1027401452 /nfs/dbraw/zinc/40/14/52/1027401452.db2.gz DNIOCWTXDPVZEJ-LPTQZCDUSA-N 1 3 322.452 3.850 20 0 DHADHO CCCC(C)(C)N(Cc1cccs1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000574607519 1027411130 /nfs/dbraw/zinc/41/11/30/1027411130.db2.gz BXCAGADMMIOJSI-INIZCTEOSA-N 1 3 324.534 3.584 20 0 DHADHO CCCC(C)(C)N(Cc1cccs1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000574607519 1027411139 /nfs/dbraw/zinc/41/11/39/1027411139.db2.gz BXCAGADMMIOJSI-INIZCTEOSA-N 1 3 324.534 3.584 20 0 DHADHO COCCC[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)c1ccc(Cl)cc1 ZINC000423100371 1027418167 /nfs/dbraw/zinc/41/81/67/1027418167.db2.gz GUJGYMNSCAXMEC-LZLYRXPVSA-N 1 3 324.896 3.567 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423125384 1027422186 /nfs/dbraw/zinc/42/21/86/1027422186.db2.gz HYSXSHHISSLDTR-JSGCOSHPSA-N 1 3 311.420 3.715 20 0 DHADHO Cc1cc(OCCC[C@H](C)[NH2+]C2CCNCC2)ccc1Cl ZINC000423175773 1027441469 /nfs/dbraw/zinc/44/14/69/1027441469.db2.gz BHURXPCUTPJIFZ-AWEZNQCLSA-N 1 3 310.869 3.538 20 0 DHADHO CC(C)[C@@H](NC[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423213077 1027448233 /nfs/dbraw/zinc/44/82/33/1027448233.db2.gz MVHDSAOLDIIJKI-CZUORRHYSA-N 1 3 314.395 3.992 20 0 DHADHO C[NH2+]CCNC1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423237366 1027456884 /nfs/dbraw/zinc/45/68/84/1027456884.db2.gz DBGHTCKTIUXOCH-UHFFFAOYSA-N 1 3 300.368 3.541 20 0 DHADHO COc1cccc(C[C@@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423217136 1027459153 /nfs/dbraw/zinc/45/91/53/1027459153.db2.gz SZANBRQKYKGOOY-WIYYLYMNSA-N 1 3 324.468 3.568 20 0 DHADHO CCC(N)(CC)C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423291310 1027486148 /nfs/dbraw/zinc/48/61/48/1027486148.db2.gz HUJHVERJNMDHOH-IRXDYDNUSA-N 1 3 324.896 3.537 20 0 DHADHO C[C@H](C[NH3+])CN[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423293526 1027486584 /nfs/dbraw/zinc/48/65/84/1027486584.db2.gz ABRPCONSUZTHSH-RISCZKNCSA-N 1 3 319.449 3.511 20 0 DHADHO C[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc2ccccc2c1OC(F)F ZINC000423275628 1027493497 /nfs/dbraw/zinc/49/34/97/1027493497.db2.gz MACAQEPFUPHWJQ-ZBEGNZNMSA-N 1 3 320.383 3.829 20 0 DHADHO CC(C)[C@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423314657 1027497369 /nfs/dbraw/zinc/49/73/69/1027497369.db2.gz HLYHROHTIHAIRV-CABCVRRESA-N 1 3 300.368 3.729 20 0 DHADHO COc1cc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)ccc1F ZINC000423293850 1027502489 /nfs/dbraw/zinc/50/24/89/1027502489.db2.gz SFYKVNYJOQTTIJ-CHWSQXEVSA-N 1 3 302.393 3.705 20 0 DHADHO COc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1F ZINC000423295317 1027504456 /nfs/dbraw/zinc/50/44/56/1027504456.db2.gz WLNIHMZGIMLGCY-QWHCGFSZSA-N 1 3 302.393 3.705 20 0 DHADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423297821 1027504841 /nfs/dbraw/zinc/50/48/41/1027504841.db2.gz LZXMSDWGGDGBGP-HUUCEWRRSA-N 1 3 316.420 3.650 20 0 DHADHO CCC[C@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423323853 1027506537 /nfs/dbraw/zinc/50/65/37/1027506537.db2.gz PADBTSIMZZZPAG-CABCVRRESA-N 1 3 300.368 3.874 20 0 DHADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccccc1OCc1ccccc1 ZINC000423328304 1027509157 /nfs/dbraw/zinc/50/91/57/1027509157.db2.gz APLRVDDZLNUPOZ-QGZVFWFLSA-N 1 3 322.452 3.836 20 0 DHADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(OCc2ccccc2)cc1 ZINC000423334538 1027514094 /nfs/dbraw/zinc/51/40/94/1027514094.db2.gz WQRZBXKEZUBFFK-QRWLVFNGSA-N 1 3 310.441 3.654 20 0 DHADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(Br)c1 ZINC000423383689 1027527942 /nfs/dbraw/zinc/52/79/42/1027527942.db2.gz KOWYTQHSWVKWTM-WCQGTBRESA-N 1 3 315.230 3.509 20 0 DHADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H](CCc1ccccc1)c1ccccc1 ZINC000423408371 1027539716 /nfs/dbraw/zinc/53/97/16/1027539716.db2.gz XIUZVTJMGFOBBR-JRGCBEDISA-N 1 3 308.469 3.948 20 0 DHADHO C[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)[C@H](C)N ZINC000423443926 1027544582 /nfs/dbraw/zinc/54/45/82/1027544582.db2.gz LAISHHSVWXRCFC-WDMOLILDSA-N 1 3 319.449 3.652 20 0 DHADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423440115 1027553900 /nfs/dbraw/zinc/55/39/00/1027553900.db2.gz ANXJMHNBVNCTDA-ZIAGYGMSSA-N 1 3 301.459 3.514 20 0 DHADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423464516 1027555068 /nfs/dbraw/zinc/55/50/68/1027555068.db2.gz MDVVSONQQWBCJQ-KBXCAEBGSA-N 1 3 316.420 3.793 20 0 DHADHO CC(F)(F)CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000296189103 1027570797 /nfs/dbraw/zinc/57/07/97/1027570797.db2.gz YKEQQFJEAWDCTQ-BRWVUGGUSA-N 1 3 308.416 3.532 20 0 DHADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562775603 1027599733 /nfs/dbraw/zinc/59/97/33/1027599733.db2.gz VBXSWFXHQJCNRU-HOCLYGCPSA-N 1 3 312.379 3.622 20 0 DHADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562775603 1027599739 /nfs/dbraw/zinc/59/97/39/1027599739.db2.gz VBXSWFXHQJCNRU-HOCLYGCPSA-N 1 3 312.379 3.622 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](Cc2ccccc2C)C2CC2)C1 ZINC000576654442 1027642608 /nfs/dbraw/zinc/64/26/08/1027642608.db2.gz QAYUIFPVTXRXOV-FXAWDEMLSA-N 1 3 300.490 3.638 20 0 DHADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2c1C ZINC000577131652 1027714290 /nfs/dbraw/zinc/71/42/90/1027714290.db2.gz WEAFVCDCVBTHID-HQRMLTQVSA-N 1 3 311.473 3.747 20 0 DHADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2c1C ZINC000577131652 1027714308 /nfs/dbraw/zinc/71/43/08/1027714308.db2.gz WEAFVCDCVBTHID-HQRMLTQVSA-N 1 3 311.473 3.747 20 0 DHADHO OC[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C1CCCCC1 ZINC000577270526 1027737016 /nfs/dbraw/zinc/73/70/16/1027737016.db2.gz APJNPYCVGQGQCL-SFHVURJKSA-N 1 3 322.537 3.562 20 0 DHADHO C[C@H](C[NH2+][C@H](C)c1ccc(SC(F)F)cc1)CN(C)C ZINC000813876954 1027748356 /nfs/dbraw/zinc/74/83/56/1027748356.db2.gz FIOSUHIZRSMNPL-VXGBXAGGSA-N 1 3 302.434 3.850 20 0 DHADHO CC1CC[NH+](C2CCC(NCc3ccncc3Cl)CC2)CC1 ZINC000527680651 1027841462 /nfs/dbraw/zinc/84/14/62/1027841462.db2.gz ATHRCOMPWVJWIB-UHFFFAOYSA-N 1 3 321.896 3.868 20 0 DHADHO c1cc2cnccc2c(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000527753293 1027879776 /nfs/dbraw/zinc/87/97/76/1027879776.db2.gz SEBGZEZWEPIYLO-IBGZPJMESA-N 1 3 309.457 3.731 20 0 DHADHO c1cc2cnccc2c(CNC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000527753293 1027879793 /nfs/dbraw/zinc/87/97/93/1027879793.db2.gz SEBGZEZWEPIYLO-IBGZPJMESA-N 1 3 309.457 3.731 20 0 DHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCc2ccco2)CC1 ZINC000449063326 1028298954 /nfs/dbraw/zinc/29/89/54/1028298954.db2.gz PAAZCNOPLYBHPF-QGZVFWFLSA-N 1 3 312.457 3.507 20 0 DHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccc(O)cc2)CC1 ZINC000368446047 1028356319 /nfs/dbraw/zinc/35/63/19/1028356319.db2.gz RUXAOJUDMRVIHL-OXJNMPFZSA-N 1 3 316.489 3.567 20 0 DHADHO CCN1CCC[C@H](C[NH2+]Cc2cc3ccccc3c(OC)c2)C1 ZINC000449104006 1028356631 /nfs/dbraw/zinc/35/66/31/1028356631.db2.gz DELYZDOEDANOSG-MRXNPFEDSA-N 1 3 312.457 3.670 20 0 DHADHO Cc1cc(Br)ccc1CNCc1ccc(C[NH3+])cc1 ZINC000579238770 1028359507 /nfs/dbraw/zinc/35/95/07/1028359507.db2.gz WNOMHJCWLUPXLY-UHFFFAOYSA-N 1 3 319.246 3.506 20 0 DHADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CCCC34CCC4)C2)cc1 ZINC000449120114 1028373960 /nfs/dbraw/zinc/37/39/60/1028373960.db2.gz BQZMDJCRBWTSGI-UXHICEINSA-N 1 3 312.501 3.863 20 0 DHADHO CC(C)[C@@H](O)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449153613 1028404716 /nfs/dbraw/zinc/40/47/16/1028404716.db2.gz KJLVVDRSGZVQCF-KRWDZBQOSA-N 1 3 312.542 3.662 20 0 DHADHO CN1CCC2(CCC[N@@H+]2CC2CCC(C(F)(F)F)CC2)CC1 ZINC000368964287 1028428438 /nfs/dbraw/zinc/42/84/38/1028428438.db2.gz FMINWDAXDNCYRP-UHFFFAOYSA-N 1 3 318.427 3.915 20 0 DHADHO CN1CCC2(CCC[N@H+]2CC2CCC(C(F)(F)F)CC2)CC1 ZINC000368964287 1028428448 /nfs/dbraw/zinc/42/84/48/1028428448.db2.gz FMINWDAXDNCYRP-UHFFFAOYSA-N 1 3 318.427 3.915 20 0 DHADHO CSCC1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000449181647 1028437158 /nfs/dbraw/zinc/43/71/58/1028437158.db2.gz ICHLCGXOLKMNLO-UHFFFAOYSA-N 1 3 310.551 3.905 20 0 DHADHO Cc1cccc(CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000449232888 1028471420 /nfs/dbraw/zinc/47/14/20/1028471420.db2.gz JOQBGKAGSDUCHD-IEBWSBKVSA-N 1 3 300.490 3.780 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@@H]3OCCC[C@@H]23)CC1 ZINC000449267591 1028494387 /nfs/dbraw/zinc/49/43/87/1028494387.db2.gz AEHSHLPJLBPCDB-KSZLIROESA-N 1 3 322.537 3.823 20 0 DHADHO COc1cccc2c(C[N@@H+]3CCC[C@@H]4CN(C)CC[C@@H]43)cccc12 ZINC000449330655 1028538040 /nfs/dbraw/zinc/53/80/40/1028538040.db2.gz LZIXOMDZFNSOLQ-XLIONFOSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(C[N@H+]3CCC[C@@H]4CN(C)CC[C@@H]43)cccc12 ZINC000449330655 1028538053 /nfs/dbraw/zinc/53/80/53/1028538053.db2.gz LZIXOMDZFNSOLQ-XLIONFOSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc2ccccc21 ZINC000449330946 1028541073 /nfs/dbraw/zinc/54/10/73/1028541073.db2.gz MSKMHJAEBDUGIG-QUCCMNQESA-N 1 3 324.468 3.765 20 0 DHADHO COc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc2ccccc21 ZINC000449330946 1028541087 /nfs/dbraw/zinc/54/10/87/1028541087.db2.gz MSKMHJAEBDUGIG-QUCCMNQESA-N 1 3 324.468 3.765 20 0 DHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCC(C)(F)F)CC1 ZINC000449354038 1028587263 /nfs/dbraw/zinc/58/72/63/1028587263.db2.gz JNKNVFAXNBRBAK-HNNXBMFYSA-N 1 3 310.432 3.717 20 0 DHADHO c1[nH]c2ccccc2c1CC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000370612159 1028622865 /nfs/dbraw/zinc/62/28/65/1028622865.db2.gz JCSNXYCEKICLRX-UHFFFAOYSA-N 1 3 311.473 3.707 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2C[C@]2(C)c2cccs2)CC1 ZINC000370623853 1028626926 /nfs/dbraw/zinc/62/69/26/1028626926.db2.gz CQURXZDHFRYXKH-KSSFIOAISA-N 1 3 306.519 3.878 20 0 DHADHO CC[N@@H+]1CC[C@H](NCc2ccccc2-c2ccncc2)[C@H](C)C1 ZINC000371207747 1028676034 /nfs/dbraw/zinc/67/60/34/1028676034.db2.gz FNOBYAKPRHFZNW-UZLBHIALSA-N 1 3 309.457 3.569 20 0 DHADHO CC[N@H+]1CC[C@H](NCc2ccccc2-c2ccncc2)[C@H](C)C1 ZINC000371207747 1028676037 /nfs/dbraw/zinc/67/60/37/1028676037.db2.gz FNOBYAKPRHFZNW-UZLBHIALSA-N 1 3 309.457 3.569 20 0 DHADHO CCO[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC000193424558 1029000510 /nfs/dbraw/zinc/00/05/10/1029000510.db2.gz DTHHGQQSPVJWKP-GOSISDBHSA-N 1 3 304.478 3.617 20 0 DHADHO CC(C)COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000568328880 1029047695 /nfs/dbraw/zinc/04/76/95/1029047695.db2.gz SMHFEEOJEZASCX-DFNIBXOVSA-N 1 3 316.489 3.778 20 0 DHADHO CC(C)COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000568328880 1029047711 /nfs/dbraw/zinc/04/77/11/1029047711.db2.gz SMHFEEOJEZASCX-DFNIBXOVSA-N 1 3 316.489 3.778 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000628425321 1029051568 /nfs/dbraw/zinc/05/15/68/1029051568.db2.gz HHKKRFSMZRLWAC-MUYFXNHWSA-N 1 3 316.489 3.740 20 0 DHADHO c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CC(N2CCCCC2)C1 ZINC000373517503 1029067076 /nfs/dbraw/zinc/06/70/76/1029067076.db2.gz ASQHQCWRTIPHJX-DQPZFDDXSA-N 1 3 302.487 3.830 20 0 DHADHO CC[N@@H+]1CCC[C@H]1CNC/C(C)=C\c1ccccc1OC(F)F ZINC000568568397 1029092744 /nfs/dbraw/zinc/09/27/44/1029092744.db2.gz AHLMINZRXCWXCT-QBOMHBFWSA-N 1 3 324.415 3.765 20 0 DHADHO CC[N@H+]1CCC[C@H]1CNC/C(C)=C\c1ccccc1OC(F)F ZINC000568568397 1029092760 /nfs/dbraw/zinc/09/27/60/1029092760.db2.gz AHLMINZRXCWXCT-QBOMHBFWSA-N 1 3 324.415 3.765 20 0 DHADHO N[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)c2ccccc21 ZINC000817895607 1029269479 /nfs/dbraw/zinc/26/94/79/1029269479.db2.gz ZJSBZRYVJXCZIR-HKBOAZHASA-N 1 3 322.452 3.889 20 0 DHADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(Cl)c(F)c1 ZINC000817947314 1029291017 /nfs/dbraw/zinc/29/10/17/1029291017.db2.gz BXHHYULTPLWLOJ-GFCCVEGCSA-N 1 3 306.812 3.831 20 0 DHADHO CC[C@H](c1ccc(F)cc1F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570162256 1029322806 /nfs/dbraw/zinc/32/28/06/1029322806.db2.gz GQYRDQOUFLYYEM-KBXCAEBGSA-N 1 3 308.416 3.737 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCc3sc(Cl)cc32)[C@@H]2CCC[C@H]21 ZINC000570249895 1029339785 /nfs/dbraw/zinc/33/97/85/1029339785.db2.gz IHYLOGVUEBZCKY-AHLTXXRQSA-N 1 3 310.894 3.851 20 0 DHADHO C[N@H+]1CC[C@H](N[C@@H]2CCc3sc(Cl)cc32)[C@@H]2CCC[C@H]21 ZINC000570249895 1029339803 /nfs/dbraw/zinc/33/98/03/1029339803.db2.gz IHYLOGVUEBZCKY-AHLTXXRQSA-N 1 3 310.894 3.851 20 0 DHADHO C[C@@H]1CCC[C@H](CCN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629562016 1029370578 /nfs/dbraw/zinc/37/05/78/1029370578.db2.gz MGRMLLPWLIRHBC-TUVASFSCSA-N 1 3 306.416 3.662 20 0 DHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170909258 1029406600 /nfs/dbraw/zinc/40/66/00/1029406600.db2.gz SMAGGYJINPYZEQ-BZUAXINKSA-N 1 3 306.881 3.660 20 0 DHADHO CC[C@H](CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629653231 1029407942 /nfs/dbraw/zinc/40/79/42/1029407942.db2.gz DEFISICHNMCISH-VNQPRFMTSA-N 1 3 314.395 3.639 20 0 DHADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc3ccccc3s2)C1 ZINC000571007098 1029442507 /nfs/dbraw/zinc/44/25/07/1029442507.db2.gz XRSPBWOECBODSW-DOTOQJQBSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc3ccccc3s2)C1 ZINC000571007098 1029442513 /nfs/dbraw/zinc/44/25/13/1029442513.db2.gz XRSPBWOECBODSW-DOTOQJQBSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccccc3s2)C1 ZINC000571007098 1029442519 /nfs/dbraw/zinc/44/25/19/1029442519.db2.gz XRSPBWOECBODSW-DOTOQJQBSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3ccccc3s2)C1 ZINC000571007098 1029442524 /nfs/dbraw/zinc/44/25/24/1029442524.db2.gz XRSPBWOECBODSW-DOTOQJQBSA-N 1 3 300.471 3.817 20 0 DHADHO FC1(F)CCCC[C@H]1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000450443336 1029479176 /nfs/dbraw/zinc/47/91/76/1029479176.db2.gz VFMBZENDHNXYLJ-CVEARBPZSA-N 1 3 300.437 3.620 20 0 DHADHO C[C@H]1C[C@@H](NCc2cc3nc(Cl)ccc3s2)CC[N@@H+]1C ZINC000585118220 1029781259 /nfs/dbraw/zinc/78/12/59/1029781259.db2.gz HDLVYUHCCSEPPK-QWRGUYRKSA-N 1 3 309.866 3.522 20 0 DHADHO C[C@H]1C[C@@H](NCc2cc3nc(Cl)ccc3s2)CC[N@H+]1C ZINC000585118220 1029781262 /nfs/dbraw/zinc/78/12/62/1029781262.db2.gz HDLVYUHCCSEPPK-QWRGUYRKSA-N 1 3 309.866 3.522 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170955058 1029785892 /nfs/dbraw/zinc/78/58/92/1029785892.db2.gz DCGFWKIOZRCXDE-WBVHZDCISA-N 1 3 304.453 3.537 20 0 DHADHO Cc1cnccc1CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000530216412 1029785990 /nfs/dbraw/zinc/78/59/90/1029785990.db2.gz BGNVKAGYPJAJIC-NHCUHLMSSA-N 1 3 323.484 3.562 20 0 DHADHO CC(C)([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000865744507 1030000958 /nfs/dbraw/zinc/00/09/58/1030000958.db2.gz YBENEJFABGFGQT-SFHVURJKSA-N 1 3 308.510 3.721 20 0 DHADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cc2c(ccnc2Cl)o1 ZINC000866213768 1030162812 /nfs/dbraw/zinc/16/28/12/1030162812.db2.gz YATGEDGPYGLREA-LLVKDONJSA-N 1 3 309.841 3.720 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(C)cc1 ZINC000358049346 1030301159 /nfs/dbraw/zinc/30/11/59/1030301159.db2.gz RELZGRLFYXYFCS-BJLQDIEVSA-N 1 3 318.505 3.925 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@@H](c2cccnc2)C(C)C)CC1 ZINC000925233668 1030314979 /nfs/dbraw/zinc/31/49/79/1030314979.db2.gz GUYWPBGVAJMTTG-HXUWFJFHSA-N 1 3 317.521 3.921 20 0 DHADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC(C)(C)CN ZINC001246252959 1030334289 /nfs/dbraw/zinc/33/42/89/1030334289.db2.gz YGDPDXALWWVONK-SNVBAGLBSA-N 1 3 304.812 3.514 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171022581 1030345664 /nfs/dbraw/zinc/34/56/64/1030345664.db2.gz NSKPJDRIRDPZER-ARFHVFGLSA-N 1 3 306.881 3.660 20 0 DHADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@@H]2CCCN[C@@H]21 ZINC000925542127 1030393060 /nfs/dbraw/zinc/39/30/60/1030393060.db2.gz NOGZZCZXXSNORI-ARILJUKYSA-N 1 3 318.427 3.721 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCCc2nc(C3CCCCC3)cs2)C12CCC2 ZINC000925571745 1030409376 /nfs/dbraw/zinc/40/93/76/1030409376.db2.gz NIHZLFFVBGXTSI-JKSUJKDBSA-N 1 3 319.518 3.593 20 0 DHADHO Clc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000533536407 1030423152 /nfs/dbraw/zinc/42/31/52/1030423152.db2.gz LMNUMYSOJXCLKS-QAPCUYQASA-N 1 3 304.865 3.789 20 0 DHADHO Clc1cccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000533536407 1030423158 /nfs/dbraw/zinc/42/31/58/1030423158.db2.gz LMNUMYSOJXCLKS-QAPCUYQASA-N 1 3 304.865 3.789 20 0 DHADHO C[C@@H](N[C@H](c1cccnc1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925646986 1030432006 /nfs/dbraw/zinc/43/20/06/1030432006.db2.gz XJIPLCMZNUSMOU-QRWLVFNGSA-N 1 3 309.457 3.945 20 0 DHADHO [NH3+]CCC[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccccc1 ZINC000925645873 1030432374 /nfs/dbraw/zinc/43/23/74/1030432374.db2.gz UHOHLHBTTRFSEL-ZWKOTPCHSA-N 1 3 314.404 3.719 20 0 DHADHO COc1cc([C@H](C)NCCC(C)(C)[NH3+])ccc1SC(F)F ZINC000925741263 1030474554 /nfs/dbraw/zinc/47/45/54/1030474554.db2.gz OEHCWMXEOPYUPO-JTQLQIEISA-N 1 3 318.433 3.788 20 0 DHADHO CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925786518 1030498357 /nfs/dbraw/zinc/49/83/57/1030498357.db2.gz WRZXYMAAZYNEJB-OLZOCXBDSA-N 1 3 314.445 3.694 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000558256199 1030499995 /nfs/dbraw/zinc/49/99/95/1030499995.db2.gz IJVTXSVAONYUCZ-ILOCAZANSA-N 1 3 320.427 3.530 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000558256199 1030500002 /nfs/dbraw/zinc/50/00/02/1030500002.db2.gz IJVTXSVAONYUCZ-ILOCAZANSA-N 1 3 320.427 3.530 20 0 DHADHO FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000558256199 1030500014 /nfs/dbraw/zinc/50/00/14/1030500014.db2.gz IJVTXSVAONYUCZ-ILOCAZANSA-N 1 3 320.427 3.530 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC1(c2ccccc2)CC1 ZINC000925804624 1030504154 /nfs/dbraw/zinc/50/41/54/1030504154.db2.gz KZQCHIOQWHGIFJ-HNNXBMFYSA-N 1 3 309.457 3.621 20 0 DHADHO [NH3+][C@@H]1CC[C@H](CN[C@@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000925881658 1030532519 /nfs/dbraw/zinc/53/25/19/1030532519.db2.gz DFMRXWIMPYPDGB-JNAXZKDPSA-N 1 3 321.424 3.634 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000246872369 1030658242 /nfs/dbraw/zinc/65/82/42/1030658242.db2.gz CPJZEYGUAQNCEK-LNLFQRSKSA-N 1 3 304.478 3.617 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246900535 1030662911 /nfs/dbraw/zinc/66/29/11/1030662911.db2.gz FVJOXIRTJLPQGG-SJORKVTESA-N 1 3 309.457 3.741 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246900535 1030662915 /nfs/dbraw/zinc/66/29/15/1030662915.db2.gz FVJOXIRTJLPQGG-SJORKVTESA-N 1 3 309.457 3.741 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246900535 1030662923 /nfs/dbraw/zinc/66/29/23/1030662923.db2.gz FVJOXIRTJLPQGG-SJORKVTESA-N 1 3 309.457 3.741 20 0 DHADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000246982743 1030665518 /nfs/dbraw/zinc/66/55/18/1030665518.db2.gz IYQMUDGABDPQKQ-SRABZTEZSA-N 1 3 302.462 3.607 20 0 DHADHO CCC[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ncccc1Cl ZINC000926574098 1030803876 /nfs/dbraw/zinc/80/38/76/1030803876.db2.gz RZFMFLFZPLMHFM-GOEBONIOSA-N 1 3 309.885 3.898 20 0 DHADHO CCC[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ncccc1Cl ZINC000926574098 1030803883 /nfs/dbraw/zinc/80/38/83/1030803883.db2.gz RZFMFLFZPLMHFM-GOEBONIOSA-N 1 3 309.885 3.898 20 0 DHADHO CC(C)CCN1CCC([NH2+]CC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000926652837 1030844893 /nfs/dbraw/zinc/84/48/93/1030844893.db2.gz YQPBKEPHKDMBGU-HZPDHXFCSA-N 1 3 304.881 3.791 20 0 DHADHO Cc1c(F)cc(F)cc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001143769035 1030953016 /nfs/dbraw/zinc/95/30/16/1030953016.db2.gz FLFDIRSBYBKUSJ-UHFFFAOYSA-N 1 3 308.416 3.581 20 0 DHADHO Cc1ccsc1[C@@H](CO)N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925497674 1030959381 /nfs/dbraw/zinc/95/93/81/1030959381.db2.gz YCULDTGTQWLOOF-RHSMWYFYSA-N 1 3 318.486 3.502 20 0 DHADHO C[C@H](c1ccncc1)N(C)C/C=C\C[N@H+](C)[C@H](C)c1ccncc1 ZINC000255178927 1030981720 /nfs/dbraw/zinc/98/17/20/1030981720.db2.gz ZABXXYYOGUMVLG-OSFIAYCASA-N 1 3 324.472 3.719 20 0 DHADHO C[C@H](c1ccncc1)N(C)C/C=C\C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000255178927 1030981742 /nfs/dbraw/zinc/98/17/42/1030981742.db2.gz ZABXXYYOGUMVLG-OSFIAYCASA-N 1 3 324.472 3.719 20 0 DHADHO Cc1nc2c(cccc2CC[NH2+]C2CCN(C(C)(C)C)CC2)o1 ZINC000926970906 1031021747 /nfs/dbraw/zinc/02/17/47/1031021747.db2.gz BVGXDBQQSVMZJJ-UHFFFAOYSA-N 1 3 315.461 3.531 20 0 DHADHO C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000359622947 1031068161 /nfs/dbraw/zinc/06/81/61/1031068161.db2.gz UCKBDJKVQXFRKN-KRWDZBQOSA-N 1 3 324.468 3.890 20 0 DHADHO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000359622947 1031068177 /nfs/dbraw/zinc/06/81/77/1031068177.db2.gz UCKBDJKVQXFRKN-KRWDZBQOSA-N 1 3 324.468 3.890 20 0 DHADHO CC(C)CCN1CCC([NH2+]CC[C@H]2CCC3(CCC3)O2)CC1 ZINC000927126078 1031108371 /nfs/dbraw/zinc/10/83/71/1031108371.db2.gz VCHCKVAOBJFYGX-GOSISDBHSA-N 1 3 308.510 3.578 20 0 DHADHO C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CCCCO1 ZINC000347401817 1031222926 /nfs/dbraw/zinc/22/29/26/1031222926.db2.gz SGWATBOOYXILFJ-RTBURBONSA-N 1 3 308.510 3.534 20 0 DHADHO CC[C@H]([NH2+]C[C@H](C)CN1CCCCC1)c1cccc(OC)c1 ZINC000360147571 1031293867 /nfs/dbraw/zinc/29/38/67/1031293867.db2.gz HAQFGPGHYNDCKC-LPHOPBHVSA-N 1 3 304.478 3.858 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@H]1CCSc2c(F)cccc21 ZINC000844926431 1031403766 /nfs/dbraw/zinc/40/37/66/1031403766.db2.gz UIECQUATATWCGW-KRWDZBQOSA-N 1 3 316.445 3.872 20 0 DHADHO CCC[C@@H](NC[C@@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000360430056 1031424587 /nfs/dbraw/zinc/42/45/87/1031424587.db2.gz VTDOBSSJKHMIEE-VQIMIIECSA-N 1 3 304.478 3.858 20 0 DHADHO COc1ccc([C@@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000880 1031486090 /nfs/dbraw/zinc/48/60/90/1031486090.db2.gz VESBFSSFHKIANZ-XLIONFOSSA-N 1 3 316.489 3.999 20 0 DHADHO COc1ccc([C@@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000880 1031486101 /nfs/dbraw/zinc/48/61/01/1031486101.db2.gz VESBFSSFHKIANZ-XLIONFOSSA-N 1 3 316.489 3.999 20 0 DHADHO COc1ccc([C@@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000879 1031487026 /nfs/dbraw/zinc/48/70/26/1031487026.db2.gz VESBFSSFHKIANZ-PXNSSMCTSA-N 1 3 316.489 3.999 20 0 DHADHO COc1ccc([C@@H](N[C@H]2CC[N@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000879 1031487036 /nfs/dbraw/zinc/48/70/36/1031487036.db2.gz VESBFSSFHKIANZ-PXNSSMCTSA-N 1 3 316.489 3.999 20 0 DHADHO [NH3+][C@@H](C[C@@H]1CCCN(Cc2cc(C3CC3)no2)C1)C1CCCC1 ZINC000872158627 1031540736 /nfs/dbraw/zinc/54/07/36/1031540736.db2.gz WKIWJFWSVTYXTL-KSSFIOAISA-N 1 3 317.477 3.672 20 0 DHADHO C[C@H](CCc1ccsc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000360956689 1031643768 /nfs/dbraw/zinc/64/37/68/1031643768.db2.gz VYZWBJVEXZPSCV-ZACQAIPSSA-N 1 3 324.534 3.548 20 0 DHADHO COc1ccc(F)cc1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC000360984016 1031656769 /nfs/dbraw/zinc/65/67/69/1031656769.db2.gz PNDAPIVDLOOUAN-HNNXBMFYSA-N 1 3 308.441 3.579 20 0 DHADHO COc1ccc(F)cc1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC000360984016 1031656776 /nfs/dbraw/zinc/65/67/76/1031656776.db2.gz PNDAPIVDLOOUAN-HNNXBMFYSA-N 1 3 308.441 3.579 20 0 DHADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CCC2 ZINC000361061655 1031703423 /nfs/dbraw/zinc/70/34/23/1031703423.db2.gz UJXRENRPKLOBDL-OXQOHEQNSA-N 1 3 316.489 3.783 20 0 DHADHO C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210323 1031759408 /nfs/dbraw/zinc/75/94/08/1031759408.db2.gz BYTHIOKGPDFNJS-ZWNOBZJWSA-N 1 3 318.408 3.557 20 0 DHADHO Cc1cc(C[N@@H+]2CC[C@](CN)(C(C)(C)C)C2)cc2cccnc12 ZINC000873223977 1031765398 /nfs/dbraw/zinc/76/53/98/1031765398.db2.gz VVUAADZQKLQOKU-HXUWFJFHSA-N 1 3 311.473 3.740 20 0 DHADHO Cc1cc(C[N@H+]2CC[C@](CN)(C(C)(C)C)C2)cc2cccnc12 ZINC000873223977 1031765411 /nfs/dbraw/zinc/76/54/11/1031765411.db2.gz VVUAADZQKLQOKU-HXUWFJFHSA-N 1 3 311.473 3.740 20 0 DHADHO [NH3+][C@H]1C[C@H](CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000873258624 1031777719 /nfs/dbraw/zinc/77/77/19/1031777719.db2.gz SNHSHLZPDFFRAN-CDHAZOANSA-N 1 3 318.823 3.895 20 0 DHADHO c1cnc2cccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2c1 ZINC000873285072 1031787975 /nfs/dbraw/zinc/78/79/75/1031787975.db2.gz XMABCLSZPAZPDJ-YSIASYRMSA-N 1 3 309.457 3.635 20 0 DHADHO C[C@H](Cc1cccnc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000897971549 1031884470 /nfs/dbraw/zinc/88/44/70/1031884470.db2.gz ZMPSSYAJSKPDGN-MBOZVWFJSA-N 1 3 315.505 3.645 20 0 DHADHO [NH3+]CCCCCCN[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000846224062 1031933512 /nfs/dbraw/zinc/93/35/12/1031933512.db2.gz RRZRNFFLDFAIMC-GOSISDBHSA-N 1 3 317.864 3.933 20 0 DHADHO Cc1cccc(CN(CCCCCC[NH3+])Cc2ccccn2)c1 ZINC000846219880 1031934777 /nfs/dbraw/zinc/93/47/77/1031934777.db2.gz ARGNWAQULULUEE-UHFFFAOYSA-N 1 3 311.473 3.911 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc(Cl)ccc1Cl ZINC000044535425 1032053158 /nfs/dbraw/zinc/05/31/58/1032053158.db2.gz DQPBPMJBEDEFKJ-NEPJUHHUSA-N 1 3 301.261 3.986 20 0 DHADHO Brc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000643522344 1033338517 /nfs/dbraw/zinc/33/85/17/1033338517.db2.gz LWUCEOUBXOGUHO-ZBFHGGJFSA-N 1 3 323.278 3.558 20 0 DHADHO Cc1ccc2c(c1)C[C@@H]([NH+]1CCC(N3CCCCC3)CC1)CC2 ZINC001172839930 1033409958 /nfs/dbraw/zinc/40/99/58/1033409958.db2.gz YBGPXVLKCZWQRN-NRFANRHFSA-N 1 3 312.501 3.803 20 0 DHADHO CC(C)Cc1ncc(CN2CCC3(CC2)CC[NH+](C)CC3)s1 ZINC000877683909 1033410553 /nfs/dbraw/zinc/41/05/53/1033410553.db2.gz ASNIJZLUCQIMKP-UHFFFAOYSA-N 1 3 321.534 3.649 20 0 DHADHO CC[C@@H]1C[C@H](CN2CCC(C)([NH+]3CCCCC3)CC2)CCO1 ZINC000877795121 1033454747 /nfs/dbraw/zinc/45/47/47/1033454747.db2.gz ZZNUOVCCNYYOPP-QZTJIDSGSA-N 1 3 308.510 3.532 20 0 DHADHO CO[C@H]1CCC[C@@H](N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001172930278 1033474733 /nfs/dbraw/zinc/47/47/33/1033474733.db2.gz RKANRDNHLQFCCS-SJORKVTESA-N 1 3 322.880 3.547 20 0 DHADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000152486687 1033523432 /nfs/dbraw/zinc/52/34/32/1033523432.db2.gz MQZKXTOAFKUZGN-DLBZAZTESA-N 1 3 321.468 3.884 20 0 DHADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000152486687 1033523444 /nfs/dbraw/zinc/52/34/44/1033523444.db2.gz MQZKXTOAFKUZGN-DLBZAZTESA-N 1 3 321.468 3.884 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000152486491 1033524681 /nfs/dbraw/zinc/52/46/81/1033524681.db2.gz MQZKXTOAFKUZGN-IRXDYDNUSA-N 1 3 321.468 3.884 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000152486491 1033524693 /nfs/dbraw/zinc/52/46/93/1033524693.db2.gz MQZKXTOAFKUZGN-IRXDYDNUSA-N 1 3 321.468 3.884 20 0 DHADHO CC[NH+](CC)C1CCC(NCc2cc(F)cnc2Cl)CC1 ZINC001173107574 1033546274 /nfs/dbraw/zinc/54/62/74/1033546274.db2.gz XHDUXLHLNBGBDH-UHFFFAOYSA-N 1 3 313.848 3.617 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173198967 1033589339 /nfs/dbraw/zinc/58/93/39/1033589339.db2.gz NFFWYLAJNXKXKG-AGYKMIKPSA-N 1 3 316.489 3.839 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000553331571 1033663209 /nfs/dbraw/zinc/66/32/09/1033663209.db2.gz MPVCGVAYZACUQX-IRXDYDNUSA-N 1 3 309.457 3.915 20 0 DHADHO Cc1ncsc1-c1ccc(C[N@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000667628362 1034097359 /nfs/dbraw/zinc/09/73/59/1034097359.db2.gz CBIWVFSYKAVONU-INIZCTEOSA-N 1 3 315.486 3.502 20 0 DHADHO Cc1ncsc1-c1ccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000667628362 1034097374 /nfs/dbraw/zinc/09/73/74/1034097374.db2.gz CBIWVFSYKAVONU-INIZCTEOSA-N 1 3 315.486 3.502 20 0 DHADHO CCOc1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c(C)c1 ZINC000667666311 1034210764 /nfs/dbraw/zinc/21/07/64/1034210764.db2.gz JDNRYFYQXUIIRV-QFBILLFUSA-N 1 3 304.478 3.556 20 0 DHADHO CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c(C)c1 ZINC000667666311 1034210774 /nfs/dbraw/zinc/21/07/74/1034210774.db2.gz JDNRYFYQXUIIRV-QFBILLFUSA-N 1 3 304.478 3.556 20 0 DHADHO CCOc1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c(C)c1 ZINC000667666310 1034211439 /nfs/dbraw/zinc/21/14/39/1034211439.db2.gz JDNRYFYQXUIIRV-LPHOPBHVSA-N 1 3 304.478 3.556 20 0 DHADHO CCOc1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c(C)c1 ZINC000667666310 1034211457 /nfs/dbraw/zinc/21/14/57/1034211457.db2.gz JDNRYFYQXUIIRV-LPHOPBHVSA-N 1 3 304.478 3.556 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000554888612 1034393260 /nfs/dbraw/zinc/39/32/60/1034393260.db2.gz QUFOOAKBWORUMT-YJBOKZPZSA-N 1 3 316.489 3.562 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000554888612 1034393271 /nfs/dbraw/zinc/39/32/71/1034393271.db2.gz QUFOOAKBWORUMT-YJBOKZPZSA-N 1 3 316.489 3.562 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)C1 ZINC000481036769 1034565508 /nfs/dbraw/zinc/56/55/08/1034565508.db2.gz LHGYBANKGQTITJ-ICSRJNTNSA-N 1 3 300.490 3.638 20 0 DHADHO C[C@@]1(C[NH2+]C2CCN(CC3CCCCC3)CC2)CCCS1 ZINC000120455180 1034565995 /nfs/dbraw/zinc/56/59/95/1034565995.db2.gz WLACHIQVZOQCIJ-SFHVURJKSA-N 1 3 310.551 3.906 20 0 DHADHO Cc1cccc(CCCN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000481078287 1034576180 /nfs/dbraw/zinc/57/61/80/1034576180.db2.gz QXSHOAMHDVSHHH-FQEVSTJZSA-N 1 3 300.490 3.735 20 0 DHADHO Cc1cccc(CCC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)c1 ZINC000481078287 1034576192 /nfs/dbraw/zinc/57/61/92/1034576192.db2.gz QXSHOAMHDVSHHH-FQEVSTJZSA-N 1 3 300.490 3.735 20 0 DHADHO Cc1cccc(CCC[N@H+]2CC[C@@H](CN3CCCCC3)C2)c1 ZINC000481078287 1034576198 /nfs/dbraw/zinc/57/61/98/1034576198.db2.gz QXSHOAMHDVSHHH-FQEVSTJZSA-N 1 3 300.490 3.735 20 0 DHADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186846569 1034666599 /nfs/dbraw/zinc/66/65/99/1034666599.db2.gz QDYNADIJCRNXBC-VDERGJSUSA-N 1 3 314.395 3.651 20 0 DHADHO CC1([NH+]2CCCC2)CCN(CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC001175119299 1034824040 /nfs/dbraw/zinc/82/40/40/1034824040.db2.gz GEHOHONXXUXRIN-SFHVURJKSA-N 1 3 320.521 3.676 20 0 DHADHO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1cc2c(s1)CCC2 ZINC000481434644 1034832619 /nfs/dbraw/zinc/83/26/19/1034832619.db2.gz LMWBPEHTHJTUHM-CYBMUJFWSA-N 1 3 304.503 3.904 20 0 DHADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000483188236 1035240374 /nfs/dbraw/zinc/24/03/74/1035240374.db2.gz ARWZAZXLDXPLKR-KSSFIOAISA-N 1 3 304.478 3.734 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCc3ccc4ccccc4c3)CC[C@H]21 ZINC000483504870 1035275028 /nfs/dbraw/zinc/27/50/28/1035275028.db2.gz LZZRMPHWPJAAIU-NHCUHLMSSA-N 1 3 308.469 3.798 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCc3ccc4ccccc4c3)CC[C@H]21 ZINC000483504870 1035275029 /nfs/dbraw/zinc/27/50/29/1035275029.db2.gz LZZRMPHWPJAAIU-NHCUHLMSSA-N 1 3 308.469 3.798 20 0 DHADHO COCc1c(C)cc(C)c(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC001180091823 1035576354 /nfs/dbraw/zinc/57/63/54/1035576354.db2.gz GSNXXXRJZYAIAU-WMZOPIPTSA-N 1 3 318.505 3.673 20 0 DHADHO COCc1c(C)cc(C)c(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC001180091823 1035576362 /nfs/dbraw/zinc/57/63/62/1035576362.db2.gz GSNXXXRJZYAIAU-WMZOPIPTSA-N 1 3 318.505 3.673 20 0 DHADHO C[C@H](C[N@H+](C)CC[C@@H]1CCCCN1C)c1cc(F)cc(F)c1 ZINC001180097751 1035599306 /nfs/dbraw/zinc/59/93/06/1035599306.db2.gz HMQVSEAGUIZTSQ-KDOFPFPSSA-N 1 3 310.432 3.875 20 0 DHADHO C[C@H](C[N@@H+](C)CC[C@@H]1CCCCN1C)c1cc(F)cc(F)c1 ZINC001180097751 1035599311 /nfs/dbraw/zinc/59/93/11/1035599311.db2.gz HMQVSEAGUIZTSQ-KDOFPFPSSA-N 1 3 310.432 3.875 20 0 DHADHO CO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000494489723 1035603658 /nfs/dbraw/zinc/60/36/58/1035603658.db2.gz DWZHABNFNLEAPG-WZGPROSRSA-N 1 3 308.510 3.577 20 0 DHADHO CCCCN1CCC([NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191233687 1035669420 /nfs/dbraw/zinc/66/94/20/1035669420.db2.gz LLIOAFCARWOZOF-OAHLLOKOSA-N 1 3 320.525 3.862 20 0 DHADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC001193649434 1035692403 /nfs/dbraw/zinc/69/24/03/1035692403.db2.gz QEGPPYFGVGRFIS-AQNXPRMDSA-N 1 3 300.490 3.862 20 0 DHADHO COc1ccc([C@H](C)CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000539406777 1035720550 /nfs/dbraw/zinc/72/05/50/1035720550.db2.gz DLDAEPASCPLYNS-AEFFLSMTSA-N 1 3 304.478 3.605 20 0 DHADHO COc1ccc([C@H](C)CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000539406777 1035720565 /nfs/dbraw/zinc/72/05/65/1035720565.db2.gz DLDAEPASCPLYNS-AEFFLSMTSA-N 1 3 304.478 3.605 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](CC)c2ccc3c(c2)CCCO3)C1 ZINC000153145651 1035769456 /nfs/dbraw/zinc/76/94/56/1035769456.db2.gz JEJFBKLKJFQPNK-LPHOPBHVSA-N 1 3 316.489 3.784 20 0 DHADHO CCC[N@H+]1CC[C@@H](CN[C@@H](CC)c2ccc3c(c2)CCCO3)C1 ZINC000153145651 1035769468 /nfs/dbraw/zinc/76/94/68/1035769468.db2.gz JEJFBKLKJFQPNK-LPHOPBHVSA-N 1 3 316.489 3.784 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192617935 1035804694 /nfs/dbraw/zinc/80/46/94/1035804694.db2.gz KBVFDZJTVVMAMO-LJQANCHMSA-N 1 3 301.478 3.645 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000539898631 1035927080 /nfs/dbraw/zinc/92/70/80/1035927080.db2.gz YWJLCANYSMKUCT-RDJZCZTQSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000539898631 1035927097 /nfs/dbraw/zinc/92/70/97/1035927097.db2.gz YWJLCANYSMKUCT-RDJZCZTQSA-N 1 3 300.471 3.817 20 0 DHADHO COc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1C(C)(C)C ZINC001181534334 1035933353 /nfs/dbraw/zinc/93/33/53/1035933353.db2.gz JTTQJUVDEWREOD-CRAIPNDOSA-N 1 3 318.505 3.765 20 0 DHADHO COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1C(C)(C)C ZINC001181534334 1035933374 /nfs/dbraw/zinc/93/33/74/1035933374.db2.gz JTTQJUVDEWREOD-CRAIPNDOSA-N 1 3 318.505 3.765 20 0 DHADHO CCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1F ZINC000494961315 1036146638 /nfs/dbraw/zinc/14/66/38/1036146638.db2.gz UKFIPZKEMVSSFM-ZBFHGGJFSA-N 1 3 308.441 3.529 20 0 DHADHO CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1F ZINC000494961315 1036146642 /nfs/dbraw/zinc/14/66/42/1036146642.db2.gz UKFIPZKEMVSSFM-ZBFHGGJFSA-N 1 3 308.441 3.529 20 0 DHADHO Clc1cccc2c1CCC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000541744888 1036412585 /nfs/dbraw/zinc/41/25/85/1036412585.db2.gz QPQOIJDJXKXABA-UGSOOPFHSA-N 1 3 304.865 3.791 20 0 DHADHO Clc1cccc2c1CCC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000541744888 1036412588 /nfs/dbraw/zinc/41/25/88/1036412588.db2.gz QPQOIJDJXKXABA-UGSOOPFHSA-N 1 3 304.865 3.791 20 0 DHADHO CC(C)C[N@H+](C)CCCN[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001182712494 1036431999 /nfs/dbraw/zinc/43/19/99/1036431999.db2.gz ANSGWRQJUWCCPG-RBUKOAKNSA-N 1 3 318.505 3.800 20 0 DHADHO CC(C)C[N@@H+](C)CCCN[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001182712494 1036432009 /nfs/dbraw/zinc/43/20/09/1036432009.db2.gz ANSGWRQJUWCCPG-RBUKOAKNSA-N 1 3 318.505 3.800 20 0 DHADHO Cc1ccccc1C[NH+]1CCC(NC/C=C/c2ccncc2)CC1 ZINC000486963561 1036489831 /nfs/dbraw/zinc/48/98/31/1036489831.db2.gz FRMLPHKMSARCLV-GQCTYLIASA-N 1 3 321.468 3.657 20 0 DHADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C)(c4ccccc4)CC3)[C@H]2C1 ZINC001184386678 1036825843 /nfs/dbraw/zinc/82/58/43/1036825843.db2.gz CPMDVTHAKXVXKA-GRBKOLQVSA-N 1 3 312.501 3.817 20 0 DHADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C)(c4ccccc4)CC3)[C@@H]2C1 ZINC001184386680 1036827031 /nfs/dbraw/zinc/82/70/31/1036827031.db2.gz CPMDVTHAKXVXKA-IQPQKUJJSA-N 1 3 312.501 3.817 20 0 DHADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000629553927 1036946662 /nfs/dbraw/zinc/94/66/62/1036946662.db2.gz DTBINKJOQRQWSJ-GJZGRUSLSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309833962 1037185482 /nfs/dbraw/zinc/18/54/82/1037185482.db2.gz HPKRSWWQJOGTIU-QFBILLFUSA-N 1 3 312.432 3.826 20 0 DHADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc2c(s1)CCCC2 ZINC000322431114 1037208206 /nfs/dbraw/zinc/20/82/06/1037208206.db2.gz OREKIEZFZHQBIE-WWTUQBGBSA-N 1 3 304.503 3.903 20 0 DHADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2c(s1)CCCC2 ZINC000322431114 1037208224 /nfs/dbraw/zinc/20/82/24/1037208224.db2.gz OREKIEZFZHQBIE-WWTUQBGBSA-N 1 3 304.503 3.903 20 0 DHADHO Cc1cccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1F ZINC001199320133 1037244831 /nfs/dbraw/zinc/24/48/31/1037244831.db2.gz INHLXEBKLMNMNO-HOTGVXAUSA-N 1 3 306.469 3.982 20 0 DHADHO Fc1ccc2c(c1)[C@H](N1CCC(C[NH+]3CCCC3)CC1)CC2 ZINC000177705307 1037261708 /nfs/dbraw/zinc/26/17/08/1037261708.db2.gz CRAKTWCQVAKZDY-LJQANCHMSA-N 1 3 302.437 3.621 20 0 DHADHO C[C@@]1(CNCc2ccsc2)CCC[N@@H+]1Cc1ccccc1 ZINC000397881543 1037549218 /nfs/dbraw/zinc/54/92/18/1037549218.db2.gz NAWPGFDGZMHEEU-SFHVURJKSA-N 1 3 300.471 3.892 20 0 DHADHO C[C@@]1(CNCc2ccsc2)CCC[N@H+]1Cc1ccccc1 ZINC000397881543 1037549232 /nfs/dbraw/zinc/54/92/32/1037549232.db2.gz NAWPGFDGZMHEEU-SFHVURJKSA-N 1 3 300.471 3.892 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@H](C[NH3+])[C@H]1C ZINC001205913717 1037574578 /nfs/dbraw/zinc/57/45/78/1037574578.db2.gz JGLYOAKBKMRDCJ-CHWSQXEVSA-N 1 3 300.368 3.573 20 0 DHADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000493945419 1037602867 /nfs/dbraw/zinc/60/28/67/1037602867.db2.gz QYLABNCHMNPCMG-SCTDSRPQSA-N 1 3 304.478 3.617 20 0 DHADHO Clc1cccc(C2CC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000036997025 1037663971 /nfs/dbraw/zinc/66/39/71/1037663971.db2.gz CQJAQUFBTIWPON-XAWIXRBMSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1cccc(C2CC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000036997025 1037663980 /nfs/dbraw/zinc/66/39/80/1037663980.db2.gz CQJAQUFBTIWPON-XAWIXRBMSA-N 1 3 304.865 3.802 20 0 DHADHO CCCN1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000037423727 1037822356 /nfs/dbraw/zinc/82/23/56/1037822356.db2.gz OEUXRDMJPGAJKA-UHFFFAOYSA-N 1 3 301.261 3.957 20 0 DHADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)[C@H](C)C2 ZINC000491057838 1037899877 /nfs/dbraw/zinc/89/98/77/1037899877.db2.gz XCZRZUQKCDJBAR-MBOZVWFJSA-N 1 3 300.490 3.938 20 0 DHADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)[C@H](C)C2 ZINC000491057838 1037899894 /nfs/dbraw/zinc/89/98/94/1037899894.db2.gz XCZRZUQKCDJBAR-MBOZVWFJSA-N 1 3 300.490 3.938 20 0 DHADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@H+](C(C)C)C1)[C@H](C)C2 ZINC000491057838 1037899914 /nfs/dbraw/zinc/89/99/14/1037899914.db2.gz XCZRZUQKCDJBAR-MBOZVWFJSA-N 1 3 300.490 3.938 20 0 DHADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)COC1CCCC1 ZINC000125226049 1037927632 /nfs/dbraw/zinc/92/76/32/1037927632.db2.gz JJOZQWGNBHYAMT-UHFFFAOYSA-N 1 3 308.510 3.722 20 0 DHADHO COc1ccc(Cl)cc1CNCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000916834700 1037989388 /nfs/dbraw/zinc/98/93/88/1037989388.db2.gz UYWYWARXSXEHRS-HNNXBMFYSA-N 1 3 324.896 3.950 20 0 DHADHO COc1ccc(Cl)cc1CNCCCC[N@H+]1CCC[C@H](C)C1 ZINC000916834700 1037989390 /nfs/dbraw/zinc/98/93/90/1037989390.db2.gz UYWYWARXSXEHRS-HNNXBMFYSA-N 1 3 324.896 3.950 20 0 DHADHO CCCCN1CCC([NH2+]Cc2ccc3nc(C)sc3c2)CC1 ZINC000494311330 1038031126 /nfs/dbraw/zinc/03/11/26/1038031126.db2.gz LSQYFDXBQWOGLX-UHFFFAOYSA-N 1 3 317.502 3.959 20 0 DHADHO C[C@@H](C[NH2+][C@H]1Cc2ccc(Cl)cc2C1)CN1CCCCC1 ZINC000126617074 1038082655 /nfs/dbraw/zinc/08/26/55/1038082655.db2.gz HMTJKIMISHENRY-KSSFIOAISA-N 1 3 306.881 3.519 20 0 DHADHO CCCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000572888863 1038511577 /nfs/dbraw/zinc/51/15/77/1038511577.db2.gz NDQOPENCSGRGIU-APWZRJJASA-N 1 3 304.478 3.638 20 0 DHADHO CCCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000572888863 1038511582 /nfs/dbraw/zinc/51/15/82/1038511582.db2.gz NDQOPENCSGRGIU-APWZRJJASA-N 1 3 304.478 3.638 20 0 DHADHO c1coc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001203290000 1038557012 /nfs/dbraw/zinc/55/70/12/1038557012.db2.gz SWIVRQDWNSDVBZ-MOPGFXCFSA-N 1 3 310.441 3.624 20 0 DHADHO c1coc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001203290000 1038557026 /nfs/dbraw/zinc/55/70/26/1038557026.db2.gz SWIVRQDWNSDVBZ-MOPGFXCFSA-N 1 3 310.441 3.624 20 0 DHADHO C[C@@H]([NH2+]CCNc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000775513305 1038605749 /nfs/dbraw/zinc/60/57/49/1038605749.db2.gz WERFHAATHNBIID-QUCCMNQESA-N 1 3 323.484 3.599 20 0 DHADHO C[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205603915 1038681922 /nfs/dbraw/zinc/68/19/22/1038681922.db2.gz SOTJTNVRGMCCQG-RYUDHWBXSA-N 1 3 318.358 3.651 20 0 DHADHO C[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205603914 1038682788 /nfs/dbraw/zinc/68/27/88/1038682788.db2.gz SOTJTNVRGMCCQG-NWDGAFQWSA-N 1 3 318.358 3.651 20 0 DHADHO C[C@H](N[C@H](C[NH3+])C1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000573793374 1039070836 /nfs/dbraw/zinc/07/08/36/1039070836.db2.gz IOQJROOGKXVBNO-MGPUTAFESA-N 1 3 309.457 3.917 20 0 DHADHO Cc1ccc(F)c(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000604891069 1039573851 /nfs/dbraw/zinc/57/38/51/1039573851.db2.gz DPTMPJOOOYHRFU-CALCHBBNSA-N 1 3 306.469 3.982 20 0 DHADHO Cc1ccc(F)c(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000604891069 1039573863 /nfs/dbraw/zinc/57/38/63/1039573863.db2.gz DPTMPJOOOYHRFU-CALCHBBNSA-N 1 3 306.469 3.982 20 0 DHADHO CCSC1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000595098484 1040081276 /nfs/dbraw/zinc/08/12/76/1040081276.db2.gz GMQQJIUGVPBQKH-DOTOQJQBSA-N 1 3 310.551 3.905 20 0 DHADHO c1ccc(CSCCNC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000597253890 1040712559 /nfs/dbraw/zinc/71/25/59/1040712559.db2.gz AETZMMMGAXVLKE-IBGZPJMESA-N 1 3 318.530 3.631 20 0 DHADHO c1ccc(CSCCNC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000597253890 1040712573 /nfs/dbraw/zinc/71/25/73/1040712573.db2.gz AETZMMMGAXVLKE-IBGZPJMESA-N 1 3 318.530 3.631 20 0 DHADHO c1ccc(CSCC[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000597253890 1040712586 /nfs/dbraw/zinc/71/25/86/1040712586.db2.gz AETZMMMGAXVLKE-IBGZPJMESA-N 1 3 318.530 3.631 20 0 DHADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccccc1F ZINC000092856858 185346803 /nfs/dbraw/zinc/34/68/03/185346803.db2.gz PVLPFHSJRGMXKX-OAHLLOKOSA-N 1 3 313.420 3.788 20 0 DHADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000092856869 185346861 /nfs/dbraw/zinc/34/68/61/185346861.db2.gz SGZTZHDMUHTOBV-OAHLLOKOSA-N 1 3 313.420 3.788 20 0 DHADHO Cc1ccc2cc(C[NH2+]C3CCN(C(C)(C)C)CC3)ccc2n1 ZINC000187641175 200138662 /nfs/dbraw/zinc/13/86/62/200138662.db2.gz XSSTYKZRQSZNCO-UHFFFAOYSA-N 1 3 311.473 3.896 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2cccc3[nH]ccc32)c1 ZINC000105449018 194104977 /nfs/dbraw/zinc/10/49/77/194104977.db2.gz ZWVSPIAJLIKBHT-UHFFFAOYSA-N 1 3 307.441 3.909 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2cccc3[nH]ccc32)c1 ZINC000105449018 194104980 /nfs/dbraw/zinc/10/49/80/194104980.db2.gz ZWVSPIAJLIKBHT-UHFFFAOYSA-N 1 3 307.441 3.909 20 0 DHADHO Cc1nc(C)c(CN2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000121940808 195378218 /nfs/dbraw/zinc/37/82/18/195378218.db2.gz WXOAZBPXKZJTGA-UHFFFAOYSA-N 1 3 321.534 3.848 20 0 DHADHO C[C@H](CC[NH2+][C@@H](C)c1ccc2c(c1)COC2)N1CCCCC1 ZINC000273310456 130104888 /nfs/dbraw/zinc/10/48/88/130104888.db2.gz WMFDNFXRNOIFLQ-CVEARBPZSA-N 1 3 302.462 3.632 20 0 DHADHO Cc1ccnc([C@H](C)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000285853105 131205814 /nfs/dbraw/zinc/20/58/14/131205814.db2.gz XYJRYRZEUJZFNA-BZSNNMDCSA-N 1 3 303.494 3.799 20 0 DHADHO c1ccc(CC2(C[NH2+]C3CCN(c4ccncc4)CC3)CC2)cc1 ZINC000297332484 132010548 /nfs/dbraw/zinc/01/05/48/132010548.db2.gz CWYASWZDLYIBAR-UHFFFAOYSA-N 1 3 321.468 3.663 20 0 DHADHO C[C@@H](c1ccc(C[N@@H+]2CC[C@H](CN(C)C)C2)cc1)C(F)(F)F ZINC000297523454 132020365 /nfs/dbraw/zinc/02/03/65/132020365.db2.gz OQYCDCKCOPJNKA-DZGCQCFKSA-N 1 3 314.395 3.736 20 0 DHADHO C[C@@H](c1ccc(C[N@H+]2CC[C@H](CN(C)C)C2)cc1)C(F)(F)F ZINC000297523454 132020367 /nfs/dbraw/zinc/02/03/67/132020367.db2.gz OQYCDCKCOPJNKA-DZGCQCFKSA-N 1 3 314.395 3.736 20 0 DHADHO C[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000298334376 132056423 /nfs/dbraw/zinc/05/64/23/132056423.db2.gz IXVXYLFNKMYIBK-OAHLLOKOSA-N 1 3 313.420 3.583 20 0 DHADHO c1ccc(C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000298434710 132062767 /nfs/dbraw/zinc/06/27/67/132062767.db2.gz NFAFPABLDXSWDT-NRFANRHFSA-N 1 3 321.468 3.661 20 0 DHADHO [NH3+]Cc1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000570516292 332765967 /nfs/dbraw/zinc/76/59/67/332765967.db2.gz URBFJUUPGOEOFI-KRWDZBQOSA-N 1 3 316.832 3.802 20 0 DHADHO [NH3+]CCC1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000565484656 331695227 /nfs/dbraw/zinc/69/52/27/331695227.db2.gz YPAMMXVAHFLPBL-UHFFFAOYSA-N 1 3 321.896 3.501 20 0 DHADHO C[NH+](C)[C@@H](CNc1ccnc2ccccc21)c1cccc(F)c1 ZINC000518351933 332017019 /nfs/dbraw/zinc/01/70/19/332017019.db2.gz FPCFTWNDLWLCNT-IBGZPJMESA-N 1 3 309.388 3.511 20 0 DHADHO C[NH+]1CCC(CCNCc2ccc(Oc3ccccc3)o2)CC1 ZINC000180879443 332143751 /nfs/dbraw/zinc/14/37/51/332143751.db2.gz ZZEFVYPJLUHELG-UHFFFAOYSA-N 1 3 314.429 3.893 20 0 DHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CCO)CCCC2)CC1 ZINC000363758250 332241685 /nfs/dbraw/zinc/24/16/85/332241685.db2.gz GVMSTIJDUFJVTI-PKOBYXMFSA-N 1 3 322.537 3.562 20 0 DHADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC2(CCO)CCCC2)CC1 ZINC000363758250 332241687 /nfs/dbraw/zinc/24/16/87/332241687.db2.gz GVMSTIJDUFJVTI-PKOBYXMFSA-N 1 3 322.537 3.562 20 0 DHADHO C[C@H](CCNCc1ccc2[nH]cnc2c1)[N@H+](C)Cc1ccccc1 ZINC000531094245 332258647 /nfs/dbraw/zinc/25/86/47/332258647.db2.gz UDIDYWSTDLOICH-MRXNPFEDSA-N 1 3 322.456 3.563 20 0 DHADHO C[C@H](CCNCc1ccc2[nH]cnc2c1)[N@@H+](C)Cc1ccccc1 ZINC000531094245 332258649 /nfs/dbraw/zinc/25/86/49/332258649.db2.gz UDIDYWSTDLOICH-MRXNPFEDSA-N 1 3 322.456 3.563 20 0 DHADHO C[C@H](CCNCc1ccc2nc[nH]c2c1)[N@H+](C)Cc1ccccc1 ZINC000531094245 332258651 /nfs/dbraw/zinc/25/86/51/332258651.db2.gz UDIDYWSTDLOICH-MRXNPFEDSA-N 1 3 322.456 3.563 20 0 DHADHO C[C@H](CCNCc1ccc2nc[nH]c2c1)[N@@H+](C)Cc1ccccc1 ZINC000531094245 332258653 /nfs/dbraw/zinc/25/86/53/332258653.db2.gz UDIDYWSTDLOICH-MRXNPFEDSA-N 1 3 322.456 3.563 20 0 DHADHO C[C@@H](CCNCc1ccc2[nH]cnc2c1)[N@H+](C)Cc1ccccc1 ZINC000531094244 332258742 /nfs/dbraw/zinc/25/87/42/332258742.db2.gz UDIDYWSTDLOICH-INIZCTEOSA-N 1 3 322.456 3.563 20 0 DHADHO C[C@@H](CCNCc1ccc2[nH]cnc2c1)[N@@H+](C)Cc1ccccc1 ZINC000531094244 332258744 /nfs/dbraw/zinc/25/87/44/332258744.db2.gz UDIDYWSTDLOICH-INIZCTEOSA-N 1 3 322.456 3.563 20 0 DHADHO C[C@@H](CCNCc1ccc2nc[nH]c2c1)[N@H+](C)Cc1ccccc1 ZINC000531094244 332258746 /nfs/dbraw/zinc/25/87/46/332258746.db2.gz UDIDYWSTDLOICH-INIZCTEOSA-N 1 3 322.456 3.563 20 0 DHADHO C[C@@H](CCNCc1ccc2nc[nH]c2c1)[N@@H+](C)Cc1ccccc1 ZINC000531094244 332258748 /nfs/dbraw/zinc/25/87/48/332258748.db2.gz UDIDYWSTDLOICH-INIZCTEOSA-N 1 3 322.456 3.563 20 0 DHADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1CCCC12CCCC2 ZINC000559753673 332279292 /nfs/dbraw/zinc/27/92/92/332279292.db2.gz PEOAKRBZFITWDR-IBGZPJMESA-N 1 3 316.489 3.830 20 0 DHADHO C[N@@H+]1CC[C@H](NCCOCc2ccccc2)C[C@H]1c1ccccc1 ZINC000559773475 332280698 /nfs/dbraw/zinc/28/06/98/332280698.db2.gz FBTCPXHESXLJKH-SFTDATJTSA-N 1 3 324.468 3.628 20 0 DHADHO C[N@H+]1CC[C@H](NCCOCc2ccccc2)C[C@H]1c1ccccc1 ZINC000559773475 332280699 /nfs/dbraw/zinc/28/06/99/332280699.db2.gz FBTCPXHESXLJKH-SFTDATJTSA-N 1 3 324.468 3.628 20 0 DHADHO CCCCN(C)C[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000559858795 332286125 /nfs/dbraw/zinc/28/61/25/332286125.db2.gz VUWYZSRXAITMOF-YSIASYRMSA-N 1 3 317.521 3.532 20 0 DHADHO COc1ccc(OC)c([C@H](C)NCCCCC[NH+]2CCCC2)c1 ZINC000559892500 332290149 /nfs/dbraw/zinc/29/01/49/332290149.db2.gz KLZQKYXYJWKFCH-INIZCTEOSA-N 1 3 320.477 3.621 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000560144928 332314676 /nfs/dbraw/zinc/31/46/76/332314676.db2.gz CTNFODVMFPWTSA-LRYGQEGESA-N 1 3 308.510 3.577 20 0 DHADHO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000582029553 333174068 /nfs/dbraw/zinc/17/40/68/333174068.db2.gz AROQIBQXTNQITQ-GBNFQVFUSA-N 1 3 324.390 3.602 20 0 DHADHO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000582029553 333174069 /nfs/dbraw/zinc/17/40/69/333174069.db2.gz AROQIBQXTNQITQ-GBNFQVFUSA-N 1 3 324.390 3.602 20 0 DHADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000390680914 333314711 /nfs/dbraw/zinc/31/47/11/333314711.db2.gz VUANSVAQLQWXDL-KLHDSHLOSA-N 1 3 300.437 3.712 20 0 DHADHO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000390680914 333314712 /nfs/dbraw/zinc/31/47/12/333314712.db2.gz VUANSVAQLQWXDL-KLHDSHLOSA-N 1 3 300.437 3.712 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000021520558 333389023 /nfs/dbraw/zinc/38/90/23/333389023.db2.gz ZMMXLHHAKZZHHC-KRWDZBQOSA-N 1 3 304.503 3.935 20 0 DHADHO C[C@@H]1CC[C@H](C)N1Cc1cncc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000565344704 333391074 /nfs/dbraw/zinc/39/10/74/333391074.db2.gz JDDQFKXOSXBLLX-WNKDZCFJSA-N 1 3 301.478 3.827 20 0 DHADHO C[C@@H]1CC[C@H](C)N1Cc1cncc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000565344704 333391075 /nfs/dbraw/zinc/39/10/75/333391075.db2.gz JDDQFKXOSXBLLX-WNKDZCFJSA-N 1 3 301.478 3.827 20 0 DHADHO CCSCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000390768844 333391771 /nfs/dbraw/zinc/39/17/71/333391771.db2.gz JWIRHCKXIOOYCO-IPMKNSEASA-N 1 3 318.530 3.630 20 0 DHADHO Cc1cc(C)cc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000390778627 333392343 /nfs/dbraw/zinc/39/23/43/333392343.db2.gz PDTYPZRQSVXYBI-FQEVSTJZSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1cc(C)cc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390778627 333392344 /nfs/dbraw/zinc/39/23/44/333392344.db2.gz PDTYPZRQSVXYBI-FQEVSTJZSA-N 1 3 308.469 3.915 20 0 DHADHO Oc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000563119693 333393064 /nfs/dbraw/zinc/39/30/64/333393064.db2.gz FLVHGFIRICJACL-LJQANCHMSA-N 1 3 322.452 3.679 20 0 DHADHO Oc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000563119693 333393065 /nfs/dbraw/zinc/39/30/65/333393065.db2.gz FLVHGFIRICJACL-LJQANCHMSA-N 1 3 322.452 3.679 20 0 DHADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000125352733 333508305 /nfs/dbraw/zinc/50/83/05/333508305.db2.gz GLSWYPBOTJUZTO-CYBMUJFWSA-N 1 3 312.404 3.671 20 0 DHADHO C[C@]1(c2ccccc2)CC[C@@H](N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000414649826 334054515 /nfs/dbraw/zinc/05/45/15/334054515.db2.gz ALJMERRYVMRAQC-RTWAWAEBSA-N 1 3 312.501 3.961 20 0 DHADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651335 334055118 /nfs/dbraw/zinc/05/51/18/334055118.db2.gz CBBWEHFIXLYFDH-IPYPFGDCSA-N 1 3 314.395 3.868 20 0 DHADHO C[C@H](N)[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651335 334055120 /nfs/dbraw/zinc/05/51/20/334055120.db2.gz CBBWEHFIXLYFDH-IPYPFGDCSA-N 1 3 314.395 3.868 20 0 DHADHO C[C@H](N)[C@H]1CCC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651335 334055122 /nfs/dbraw/zinc/05/51/22/334055122.db2.gz CBBWEHFIXLYFDH-IPYPFGDCSA-N 1 3 314.395 3.868 20 0 DHADHO Cc1ccc(COc2ccc(CN3C[C@H](C[NH3+])C[C@@H]3C)cc2)cc1 ZINC000414658363 334058568 /nfs/dbraw/zinc/05/85/68/334058568.db2.gz JHLSHOGOAPRHJM-PXNSSMCTSA-N 1 3 324.468 3.743 20 0 DHADHO COc1cc(-c2ccccc2)ccc1CN1CCC(C[NH3+])CC1 ZINC000414659793 334058884 /nfs/dbraw/zinc/05/88/84/334058884.db2.gz TZWKAHUYNKFCKD-UHFFFAOYSA-N 1 3 310.441 3.533 20 0 DHADHO COc1ccccc1-c1ccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414666983 334062201 /nfs/dbraw/zinc/06/22/01/334062201.db2.gz XFPVTZUFKBQJHB-APWZRJJASA-N 1 3 324.468 3.921 20 0 DHADHO CC(C)C[C@@H](C)CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000414708185 334071935 /nfs/dbraw/zinc/07/19/35/334071935.db2.gz CNRWAFOLNHUJMC-IEBWSBKVSA-N 1 3 303.494 3.708 20 0 DHADHO FC(F)(F)c1cccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414781196 334093575 /nfs/dbraw/zinc/09/35/75/334093575.db2.gz MRKMJCWPXVEMCI-LSDHHAIUSA-N 1 3 312.379 3.527 20 0 DHADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414799628 334102012 /nfs/dbraw/zinc/10/20/12/334102012.db2.gz KEUAQNZNJGLTHH-ABAIWWIYSA-N 1 3 301.261 3.643 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccc(C(F)(F)F)cc1 ZINC000414806368 334103469 /nfs/dbraw/zinc/10/34/69/334103469.db2.gz QARZKXRNWRSAOO-XPKDYRNWSA-N 1 3 314.395 3.916 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@H]2NC[C@@H]([NH3+])C(C)C)cc1 ZINC000414804267 334103777 /nfs/dbraw/zinc/10/37/77/334103777.db2.gz XCRILPLAUAZQOP-IPMKNSEASA-N 1 3 304.478 3.683 20 0 DHADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(OC(F)F)c(Cl)c1 ZINC000414807830 334104250 /nfs/dbraw/zinc/10/42/50/334104250.db2.gz ROQODUCLQGWHFE-YPMHNXCESA-N 1 3 318.795 3.549 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)c1ccc(C(F)(F)F)cc1 ZINC000414808351 334104932 /nfs/dbraw/zinc/10/49/32/334104932.db2.gz SFGWXTJGAASNKQ-ZLDLUXBVSA-N 1 3 300.368 3.526 20 0 DHADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000414825241 334109192 /nfs/dbraw/zinc/10/91/92/334109192.db2.gz GRIDOOXYQYQMAR-AEZOWIDVSA-N 1 3 312.379 3.682 20 0 DHADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)NCC1([NH3+])CCC1 ZINC000414875719 334145761 /nfs/dbraw/zinc/14/57/61/334145761.db2.gz KKIUCWWWNGUEQJ-ZDUSSCGKSA-N 1 3 301.261 3.786 20 0 DHADHO C[C@H](NC1CC[NH+](C)CC1)c1ccc(Oc2cccnc2)cc1 ZINC000287322587 334157295 /nfs/dbraw/zinc/15/72/95/334157295.db2.gz LWNSNHRDJRNFEF-HNNXBMFYSA-N 1 3 311.429 3.619 20 0 DHADHO [NH3+][C@H](CN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000414894556 334159423 /nfs/dbraw/zinc/15/94/23/334159423.db2.gz TTYIGQCXMNSPIE-BZUAXINKSA-N 1 3 312.379 3.668 20 0 DHADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)NCC[C@H]1CCC[NH2+]1 ZINC000414901831 334165208 /nfs/dbraw/zinc/16/52/08/334165208.db2.gz GXCGERBFWPXTEG-XJKSGUPXSA-N 1 3 314.395 3.758 20 0 DHADHO C[C@@H](C[NH2+][C@H]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414915749 334177385 /nfs/dbraw/zinc/17/73/85/334177385.db2.gz NAZCIQTUYSJLBA-WFASDCNBSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@@H](CN[C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414915749 334177386 /nfs/dbraw/zinc/17/73/86/334177386.db2.gz NAZCIQTUYSJLBA-WFASDCNBSA-N 1 3 300.368 3.541 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414934520 334196895 /nfs/dbraw/zinc/19/68/95/334196895.db2.gz FCURESGZFRVRQP-SGIREYDYSA-N 1 3 315.288 3.902 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414934520 334196896 /nfs/dbraw/zinc/19/68/96/334196896.db2.gz FCURESGZFRVRQP-SGIREYDYSA-N 1 3 315.288 3.902 20 0 DHADHO Clc1cccc(N2CCCC2)c1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414969869 334216148 /nfs/dbraw/zinc/21/61/48/334216148.db2.gz JTFREZQPXMTJFW-OAHLLOKOSA-N 1 3 321.896 3.562 20 0 DHADHO [NH3+]C[C@@H]1CC[C@H](NCc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415032831 334260278 /nfs/dbraw/zinc/26/02/78/334260278.db2.gz IKFOZFAWAGNQFV-SKDRFNHKSA-N 1 3 306.759 3.576 20 0 DHADHO Cc1ccc2cc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)ccc2n1 ZINC000415060526 334262084 /nfs/dbraw/zinc/26/20/84/334262084.db2.gz YNPXCVBWLLYTPG-ICSRJNTNSA-N 1 3 309.457 3.507 20 0 DHADHO CC(C)COc1ccc(C(C)(C)C[NH2+][C@H]2CCCNCC2)cc1 ZINC000415078515 334270526 /nfs/dbraw/zinc/27/05/26/334270526.db2.gz ITGFGUCVKLVYCM-SFHVURJKSA-N 1 3 318.505 3.731 20 0 DHADHO CC(C)COc1ccc(C(C)(C)CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000415078515 334270527 /nfs/dbraw/zinc/27/05/27/334270527.db2.gz ITGFGUCVKLVYCM-SFHVURJKSA-N 1 3 318.505 3.731 20 0 DHADHO CC(C)COc1ccc(C(C)(C)C[NH2+]C[C@H]2CCCNC2)cc1 ZINC000415080924 334271254 /nfs/dbraw/zinc/27/12/54/334271254.db2.gz MJDOOLTTZMHPBB-KRWDZBQOSA-N 1 3 318.505 3.588 20 0 DHADHO CC(C)COc1ccc(C(C)(C)CNC[C@H]2CCC[NH2+]C2)cc1 ZINC000415080924 334271255 /nfs/dbraw/zinc/27/12/55/334271255.db2.gz MJDOOLTTZMHPBB-KRWDZBQOSA-N 1 3 318.505 3.588 20 0 DHADHO [NH3+]C1CCC(N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000415080743 334271360 /nfs/dbraw/zinc/27/13/60/334271360.db2.gz JOSGOBOTZHZSBU-JXQTWKCFSA-N 1 3 304.331 3.679 20 0 DHADHO CCSc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000534496902 334277913 /nfs/dbraw/zinc/27/79/13/334277913.db2.gz KVMGWOTUFHDFEJ-GJZGRUSLSA-N 1 3 304.503 3.934 20 0 DHADHO CCSc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000534496902 334277915 /nfs/dbraw/zinc/27/79/15/334277915.db2.gz KVMGWOTUFHDFEJ-GJZGRUSLSA-N 1 3 304.503 3.934 20 0 DHADHO [NH3+]CC1CCC(N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000415090539 334279936 /nfs/dbraw/zinc/27/99/36/334279936.db2.gz XULLVYPRHSFAKR-KWCHVYNWSA-N 1 3 318.358 3.926 20 0 DHADHO CC(C)C[C@H]([NH3+])CNC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415093629 334280692 /nfs/dbraw/zinc/28/06/92/334280692.db2.gz CHYFDYCODDIHRG-WFASDCNBSA-N 1 3 302.384 3.772 20 0 DHADHO CC[C@H](C)[C@H](C)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000531949497 334303500 /nfs/dbraw/zinc/30/35/00/334303500.db2.gz DWMBNPHAMPVADQ-IRXDYDNUSA-N 1 3 318.505 3.931 20 0 DHADHO CCO[C@H](CC[NH+](C)C)CN[C@H](c1ccc(C)o1)C1CCCC1 ZINC000342791995 334571774 /nfs/dbraw/zinc/57/17/74/334571774.db2.gz GBGNYWSDBYMHEJ-MJGOQNOKSA-N 1 3 322.493 3.766 20 0 DHADHO CN1CC=C(C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000344298546 335238179 /nfs/dbraw/zinc/23/81/79/335238179.db2.gz BVHFXOVMIBMMIY-SFHVURJKSA-N 1 3 304.865 3.959 20 0 DHADHO C[N@@H+]1CCC[C@H]1CCN1CCC(c2cccc3cnccc32)CC1 ZINC000366875743 335273246 /nfs/dbraw/zinc/27/32/46/335273246.db2.gz IGTBEKZRUZZYCL-IBGZPJMESA-N 1 3 323.484 3.899 20 0 DHADHO C[N@H+]1CCC[C@H]1CCN1CCC(c2cccc3cnccc32)CC1 ZINC000366875743 335273248 /nfs/dbraw/zinc/27/32/48/335273248.db2.gz IGTBEKZRUZZYCL-IBGZPJMESA-N 1 3 323.484 3.899 20 0 DHADHO C[C@@H](NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCCO1 ZINC000346555794 335415166 /nfs/dbraw/zinc/41/51/66/335415166.db2.gz PJMOUAVXUMXABP-YLJYHZDGSA-N 1 3 316.489 3.720 20 0 DHADHO CC[NH2+]CC1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000347031139 335464749 /nfs/dbraw/zinc/46/47/49/335464749.db2.gz YDCGPWKSIJTUHV-UHFFFAOYSA-N 1 3 306.837 3.908 20 0 DHADHO CC[C@H](C)C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000536755465 335884025 /nfs/dbraw/zinc/88/40/25/335884025.db2.gz GTNPNAVAPHYPJR-SFHVURJKSA-N 1 3 317.521 3.533 20 0 DHADHO C[NH+]1CCC([C@H]2CCN(C/C=C\c3ccc(F)c(F)c3)C2)CC1 ZINC000583661431 336035774 /nfs/dbraw/zinc/03/57/74/336035774.db2.gz NSNBMXISENANKB-KYVUIXNKSA-N 1 3 320.427 3.642 20 0 DHADHO CC1(C)[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000167573016 336195492 /nfs/dbraw/zinc/19/54/92/336195492.db2.gz NUZNSZGZDUPFAM-OTWHNJEPSA-N 1 3 320.521 3.577 20 0 DHADHO CC1(C)[C@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000167573016 336195493 /nfs/dbraw/zinc/19/54/93/336195493.db2.gz NUZNSZGZDUPFAM-OTWHNJEPSA-N 1 3 320.521 3.577 20 0 DHADHO COc1ccc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)ccc2c1 ZINC000192626664 336200194 /nfs/dbraw/zinc/20/01/94/336200194.db2.gz NHTYJNQDEYXFPA-YQQQUEKLSA-N 1 3 310.441 3.563 20 0 DHADHO CCc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000352243153 336206091 /nfs/dbraw/zinc/20/60/91/336206091.db2.gz XUIFOISJKDMYNY-UHFFFAOYSA-N 1 3 309.457 3.530 20 0 DHADHO CCc1ccc(CNCc2cccc(C[NH+](CC)CC)c2)cn1 ZINC000352778543 336235879 /nfs/dbraw/zinc/23/58/79/336235879.db2.gz HSISLYYCTIRFRP-UHFFFAOYSA-N 1 3 311.473 3.776 20 0 DHADHO Cc1ccsc1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192933888 336285058 /nfs/dbraw/zinc/28/50/58/336285058.db2.gz JWYLBVQEHSVDOP-QGZVFWFLSA-N 1 3 300.471 3.668 20 0 DHADHO Cc1ccsc1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192933888 336285059 /nfs/dbraw/zinc/28/50/59/336285059.db2.gz JWYLBVQEHSVDOP-QGZVFWFLSA-N 1 3 300.471 3.668 20 0 DHADHO Cc1nc2ccccc2c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000302109863 336348947 /nfs/dbraw/zinc/34/89/47/336348947.db2.gz ZAPLCRWEVMCJQG-QFBILLFUSA-N 1 3 309.457 3.772 20 0 DHADHO Cc1nc2ccccc2c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000302109863 336348948 /nfs/dbraw/zinc/34/89/48/336348948.db2.gz ZAPLCRWEVMCJQG-QFBILLFUSA-N 1 3 309.457 3.772 20 0 DHADHO Cc1ccncc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000352964490 336379760 /nfs/dbraw/zinc/37/97/60/336379760.db2.gz BODXMDJPCJYMJX-WSTZPKSXSA-N 1 3 323.484 3.951 20 0 DHADHO C[C@H]([NH3+])C1CCN([C@@H](C)c2ccccc2Br)CC1 ZINC000110643971 336397061 /nfs/dbraw/zinc/39/70/61/336397061.db2.gz RBTZYYQXDSCEOX-RYUDHWBXSA-N 1 3 311.267 3.569 20 0 DHADHO CC(C)C[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000371486411 336906104 /nfs/dbraw/zinc/90/61/04/336906104.db2.gz WPHNLBORXIYCNO-QUCCMNQESA-N 1 3 322.537 3.967 20 0 DHADHO COc1ccc2oc(CN3CCCC34CC[NH+](C)CC4)cc2c1 ZINC000375507604 337012424 /nfs/dbraw/zinc/01/24/24/337012424.db2.gz PKHYSWQEIWQAPO-UHFFFAOYSA-N 1 3 314.429 3.502 20 0 DHADHO COc1ccc2oc(C[N@@H+]3CCCC34CCN(C)CC4)cc2c1 ZINC000375507604 337012425 /nfs/dbraw/zinc/01/24/25/337012425.db2.gz PKHYSWQEIWQAPO-UHFFFAOYSA-N 1 3 314.429 3.502 20 0 DHADHO COc1ccc2oc(C[N@H+]3CCCC34CCN(C)CC4)cc2c1 ZINC000375507604 337012426 /nfs/dbraw/zinc/01/24/26/337012426.db2.gz PKHYSWQEIWQAPO-UHFFFAOYSA-N 1 3 314.429 3.502 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(-c2cncnc2)cc1 ZINC000376966907 337044379 /nfs/dbraw/zinc/04/43/79/337044379.db2.gz IVTMSYVOKJXCLB-KRWDZBQOSA-N 1 3 324.472 3.670 20 0 DHADHO Cc1cc(CNC[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc(C)c1O ZINC000377617238 337056370 /nfs/dbraw/zinc/05/63/70/337056370.db2.gz AFXOJKBPKZEJPP-UXHICEINSA-N 1 3 324.468 3.792 20 0 DHADHO Cc1cc(CNC[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc(C)c1O ZINC000377617238 337056371 /nfs/dbraw/zinc/05/63/71/337056371.db2.gz AFXOJKBPKZEJPP-UXHICEINSA-N 1 3 324.468 3.792 20 0 DHADHO Cc1cc(C[N@@H+](C)C2CCN(c3ccncc3)CC2)ccc1F ZINC000377703204 337059289 /nfs/dbraw/zinc/05/92/89/337059289.db2.gz WGBHJYHIACVXNF-UHFFFAOYSA-N 1 3 313.420 3.630 20 0 DHADHO Cc1cc(C[N@H+](C)C2CCN(c3ccncc3)CC2)ccc1F ZINC000377703204 337059290 /nfs/dbraw/zinc/05/92/90/337059290.db2.gz WGBHJYHIACVXNF-UHFFFAOYSA-N 1 3 313.420 3.630 20 0 DHADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CCO1 ZINC000378401365 337071839 /nfs/dbraw/zinc/07/18/39/337071839.db2.gz JYDZXWCHVDWTCT-AEFFLSMTSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(CO)c1 ZINC000378515305 337074956 /nfs/dbraw/zinc/07/49/56/337074956.db2.gz GKDJXSXVHWAQNY-ZLGUVYLKSA-N 1 3 324.468 3.523 20 0 DHADHO C[C@H](NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccc(CO)c1 ZINC000378515305 337074957 /nfs/dbraw/zinc/07/49/57/337074957.db2.gz GKDJXSXVHWAQNY-ZLGUVYLKSA-N 1 3 324.468 3.523 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000193907092 337081222 /nfs/dbraw/zinc/08/12/22/337081222.db2.gz YZNIPHLTLCXIRD-SFHVURJKSA-N 1 3 306.519 3.630 20 0 DHADHO CC(C)[N@@H+]1CCC[C@@H](CNCCSCc2ccccc2)C1 ZINC000193907092 337081223 /nfs/dbraw/zinc/08/12/23/337081223.db2.gz YZNIPHLTLCXIRD-SFHVURJKSA-N 1 3 306.519 3.630 20 0 DHADHO CC(C)[N@H+]1CCC[C@@H](CNCCSCc2ccccc2)C1 ZINC000193907092 337081224 /nfs/dbraw/zinc/08/12/24/337081224.db2.gz YZNIPHLTLCXIRD-SFHVURJKSA-N 1 3 306.519 3.630 20 0 DHADHO CCC(CC)(CC)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000360022570 337083949 /nfs/dbraw/zinc/08/39/49/337083949.db2.gz XUWJPMBNODUMFY-UHFFFAOYSA-N 1 3 323.569 3.693 20 0 DHADHO CCc1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c2ccccc2n1 ZINC000582478533 337096259 /nfs/dbraw/zinc/09/62/59/337096259.db2.gz RAENAYYZWQZYPD-NVXWUHKLSA-N 1 3 309.457 3.860 20 0 DHADHO Cc1ccsc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178036832 337159924 /nfs/dbraw/zinc/15/99/24/337159924.db2.gz NWZPCMBSFAYVDN-OWCLPIDISA-N 1 3 310.507 3.597 20 0 DHADHO Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)s1 ZINC000179169092 337168084 /nfs/dbraw/zinc/16/80/84/337168084.db2.gz GLLPNFBGYXSBJG-CRAIPNDOSA-N 1 3 304.503 3.814 20 0 DHADHO Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)s1 ZINC000179169092 337168085 /nfs/dbraw/zinc/16/80/85/337168085.db2.gz GLLPNFBGYXSBJG-CRAIPNDOSA-N 1 3 304.503 3.814 20 0 DHADHO c1cn(CCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc12 ZINC000321024688 337175988 /nfs/dbraw/zinc/17/59/88/337175988.db2.gz VNRQSODWNLNUPJ-QRVBRYPASA-N 1 3 311.473 3.542 20 0 DHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)CC1 ZINC000182029887 337185797 /nfs/dbraw/zinc/18/57/97/337185797.db2.gz ODYFLSNWNYOJGV-HNNXBMFYSA-N 1 3 317.477 3.560 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cccc(OCc2ccccc2)c1 ZINC000394992663 337201801 /nfs/dbraw/zinc/20/18/01/337201801.db2.gz GHHOXVVHBCHMQC-DYESRHJHSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(OCc2ccccc2)c1 ZINC000394992663 337201802 /nfs/dbraw/zinc/20/18/02/337201802.db2.gz GHHOXVVHBCHMQC-DYESRHJHSA-N 1 3 324.468 3.695 20 0 DHADHO Clc1cccc2c1CC[C@H]2N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420306227 337498870 /nfs/dbraw/zinc/49/88/70/337498870.db2.gz ACBXQJQJXRDFDW-RDTXWAMCSA-N 1 3 304.865 3.649 20 0 DHADHO Clc1cccc2c1CC[C@H]2N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420306222 337499041 /nfs/dbraw/zinc/49/90/41/337499041.db2.gz ACBXQJQJXRDFDW-KBXCAEBGSA-N 1 3 304.865 3.649 20 0 DHADHO COC1([C@H](C)[NH2+]Cc2ccc(CN(C)C)cc2)CCCCC1 ZINC000421821549 337649279 /nfs/dbraw/zinc/64/92/79/337649279.db2.gz RZSVIJSNQJJWSZ-INIZCTEOSA-N 1 3 304.478 3.576 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1C(F)(F)F ZINC000422784600 337686427 /nfs/dbraw/zinc/68/64/27/337686427.db2.gz PXRGUGFTFMHDNK-LLVKDONJSA-N 1 3 323.362 3.718 20 0 DHADHO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000422815448 337687835 /nfs/dbraw/zinc/68/78/35/337687835.db2.gz BTJRECLWVNHMOW-DUVNUKRYSA-N 1 3 307.507 3.564 20 0 DHADHO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422838028 337688665 /nfs/dbraw/zinc/68/86/65/337688665.db2.gz NPWPRYZCUZGBMD-IAOVAPTHSA-N 1 3 307.507 3.564 20 0 DHADHO C[C@H](CCCC[NH3+])NCc1csc(CCc2ccccc2)n1 ZINC000422854331 337689017 /nfs/dbraw/zinc/68/90/17/337689017.db2.gz UCSRIYYLQAMGBD-OAHLLOKOSA-N 1 3 317.502 3.535 20 0 DHADHO Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000422915312 337691112 /nfs/dbraw/zinc/69/11/12/337691112.db2.gz ASULVSQBSMEHCS-HOTGVXAUSA-N 1 3 311.473 3.747 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000422913877 337691120 /nfs/dbraw/zinc/69/11/20/337691120.db2.gz RATISLINRCHPCR-YWZLYKJASA-N 1 3 309.457 3.521 20 0 DHADHO c1ccc(CC2(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422926452 337691842 /nfs/dbraw/zinc/69/18/42/337691842.db2.gz DAHMXTDKNYLYPT-VAMGGRTRSA-N 1 3 312.501 3.910 20 0 DHADHO C[C@@H]([NH3+])C[C@@H](C)NC1(c2ccc(Br)cc2)CCC1 ZINC000422933056 337692241 /nfs/dbraw/zinc/69/22/41/337692241.db2.gz DCQUMTFZSPKCPU-VXGBXAGGSA-N 1 3 311.267 3.544 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1ccccc1-c1ccccc1 ZINC000422939429 337692472 /nfs/dbraw/zinc/69/24/72/337692472.db2.gz RMDCIIFFEKUCPN-PXNSSMCTSA-N 1 3 324.468 3.710 20 0 DHADHO COc1ccccc1[C@@H](N[C@H](C)CCCC[NH3+])c1ccccc1 ZINC000422956351 337694765 /nfs/dbraw/zinc/69/47/65/337694765.db2.gz KVJDYRJZBQKVIY-UZLBHIALSA-N 1 3 312.457 3.892 20 0 DHADHO CC(C)c1ccc2c(c1)[C@@H](N[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])CCC2 ZINC000423027637 337696185 /nfs/dbraw/zinc/69/61/85/337696185.db2.gz RSDDOMPFJYQLNH-DILOTOHQSA-N 1 3 316.489 3.529 20 0 DHADHO CC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])c1cc(F)cc(Br)c1 ZINC000423062825 337697851 /nfs/dbraw/zinc/69/78/51/337697851.db2.gz NVOMBZDWYFWJEE-BFVZDQMLSA-N 1 3 317.246 3.755 20 0 DHADHO Cc1ccc([C@H](NC2CCC(C[NH3+])CC2)c2ccccn2)cc1 ZINC000423089334 337698788 /nfs/dbraw/zinc/69/87/88/337698788.db2.gz UVAZUAQIDIWUPH-NLPFYKDJSA-N 1 3 309.457 3.587 20 0 DHADHO Fc1cccc([C@H]2C[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000423093128 337698911 /nfs/dbraw/zinc/69/89/11/337698911.db2.gz FWOUYTIMSLDEQD-AEEMCCEDSA-N 1 3 316.464 3.972 20 0 DHADHO CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423102974 337699648 /nfs/dbraw/zinc/69/96/48/337699648.db2.gz FRULLQZWILWVQV-UJJTZGENSA-N 1 3 306.881 3.952 20 0 DHADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000423104829 337699711 /nfs/dbraw/zinc/69/97/11/337699711.db2.gz QDLWYFGKHCWLEX-JFIYKMOQSA-N 1 3 309.457 3.754 20 0 DHADHO Fc1cccc([C@@H]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423105707 337699718 /nfs/dbraw/zinc/69/97/18/337699718.db2.gz ZJSDTNMYZHBOLL-HKUYMTLNSA-N 1 3 316.464 3.972 20 0 DHADHO CC(C)c1ccc(O[C@H](C)CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423111592 337700038 /nfs/dbraw/zinc/70/00/38/337700038.db2.gz QQNLZRNOLKHCKT-MDZRGWNJSA-N 1 3 304.478 3.555 20 0 DHADHO C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1)[C@H]1CCCNC1 ZINC000423170256 337702226 /nfs/dbraw/zinc/70/22/26/337702226.db2.gz XPZFOFGDMKHRIE-OWIUFQIYSA-N 1 3 306.881 3.954 20 0 DHADHO FC(F)(F)c1ccc([C@H]2CC[C@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000423189777 337703099 /nfs/dbraw/zinc/70/30/99/337703099.db2.gz RONZLNHPTMBURO-BBRMVZONSA-N 1 3 312.379 3.683 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)[C@H]1CCCNC1 ZINC000423214901 337704817 /nfs/dbraw/zinc/70/48/17/337704817.db2.gz LYCGLDMYYXIKST-HKGGGCDWSA-N 1 3 306.416 3.721 20 0 DHADHO COc1ccc(-c2nc(C)c([C@@H](C)NCC[C@H](C)[NH3+])s2)cc1 ZINC000423226058 337705832 /nfs/dbraw/zinc/70/58/32/337705832.db2.gz PGTCEUDVVHSQQT-NWDGAFQWSA-N 1 3 319.474 3.515 20 0 DHADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423276934 337708948 /nfs/dbraw/zinc/70/89/48/337708948.db2.gz NPSHJMADUSLRDL-IVMMDQJWSA-N 1 3 314.395 3.744 20 0 DHADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423276933 337708955 /nfs/dbraw/zinc/70/89/55/337708955.db2.gz NPSHJMADUSLRDL-INWMFGNUSA-N 1 3 314.395 3.744 20 0 DHADHO Cc1ccc(OC(F)F)c([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423284514 337709323 /nfs/dbraw/zinc/70/93/23/337709323.db2.gz YENLTQBZGOYPKF-YDHLFZDLSA-N 1 3 312.404 3.765 20 0 DHADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000423294533 337710510 /nfs/dbraw/zinc/71/05/10/337710510.db2.gz UQXOVDLFKXLJEQ-HOTGVXAUSA-N 1 3 320.440 3.743 20 0 DHADHO CC1(CN[C@@H](c2ccccc2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423335366 337712637 /nfs/dbraw/zinc/71/26/37/337712637.db2.gz RTDCDSMGOBQFAO-IBGZPJMESA-N 1 3 312.432 3.894 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCNC[C@H]1C)C(c1ccccc1)c1ccccc1 ZINC000423398451 337715598 /nfs/dbraw/zinc/71/55/98/337715598.db2.gz OYQUVDGJIUUISH-MBOZVWFJSA-N 1 3 308.469 3.795 20 0 DHADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CCCO2 ZINC000423406511 337715882 /nfs/dbraw/zinc/71/58/82/337715882.db2.gz YUSCVCOKHHLEJT-HXUWFJFHSA-N 1 3 322.452 3.910 20 0 DHADHO COc1cc(OC)c([C@@H](C)N[C@H](C)CCCC[NH3+])cc1Cl ZINC000423424542 337716965 /nfs/dbraw/zinc/71/69/65/337716965.db2.gz FUTZBSSOQZUWPF-VXGBXAGGSA-N 1 3 314.857 3.525 20 0 DHADHO Cc1cc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)sc1Br ZINC000423380346 337717504 /nfs/dbraw/zinc/71/75/04/337717504.db2.gz YLBPZMLVDCAUDV-HBNTYKKESA-N 1 3 317.296 3.740 20 0 DHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423384346 337717888 /nfs/dbraw/zinc/71/78/88/337717888.db2.gz KYOSAYFRGWIEDA-HUUCEWRRSA-N 1 3 310.441 3.580 20 0 DHADHO FC(F)(F)c1ccc([C@H]2CCCC[C@@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423459508 337720507 /nfs/dbraw/zinc/72/05/07/337720507.db2.gz RSRWJWGNGXUIIZ-NRKLIOEPSA-N 1 3 324.390 3.539 20 0 DHADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCCNC1CC1 ZINC000423549086 337725425 /nfs/dbraw/zinc/72/54/25/337725425.db2.gz HHAAAQLYCGOCHV-ZDUSSCGKSA-N 1 3 314.395 3.758 20 0 DHADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000536847251 337744053 /nfs/dbraw/zinc/74/40/53/337744053.db2.gz VJGWUYZLQJYKDA-BHIYHBOVSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(OCCN(C)C)cc1 ZINC000429432270 338080842 /nfs/dbraw/zinc/08/08/42/338080842.db2.gz UKEAUMIYLKYJLW-CRAIPNDOSA-N 1 3 302.462 3.610 20 0 DHADHO CCC(CC)(CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)OC ZINC000430157968 338099510 /nfs/dbraw/zinc/09/95/10/338099510.db2.gz SJPJSRBDMJYVQP-AEFFLSMTSA-N 1 3 310.526 3.824 20 0 DHADHO CCC(CC)(C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)OC ZINC000430157968 338099511 /nfs/dbraw/zinc/09/95/11/338099511.db2.gz SJPJSRBDMJYVQP-AEFFLSMTSA-N 1 3 310.526 3.824 20 0 DHADHO C[C@](C[NH3+])(NCCOC(c1ccccc1)c1ccccc1)C1CC1 ZINC000430544978 338108412 /nfs/dbraw/zinc/10/84/12/338108412.db2.gz AROPFDMQQGHDCG-OAQYLSRUSA-N 1 3 324.468 3.510 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCSCc2ccccc2)C[C@H]1C ZINC000430758985 338114051 /nfs/dbraw/zinc/11/40/51/338114051.db2.gz FATSQYFTXNAJSE-SJLPKXTDSA-N 1 3 306.519 3.724 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCSCc2ccccc2)C[C@H]1C ZINC000430758985 338114052 /nfs/dbraw/zinc/11/40/52/338114052.db2.gz FATSQYFTXNAJSE-SJLPKXTDSA-N 1 3 306.519 3.724 20 0 DHADHO C[C@@H](c1ccccc1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000431036426 338120963 /nfs/dbraw/zinc/12/09/63/338120963.db2.gz WIQZXFVXBKWCIG-ZDUSSCGKSA-N 1 3 323.278 3.586 20 0 DHADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000432423560 338156019 /nfs/dbraw/zinc/15/60/19/338156019.db2.gz KOUMQCCWHFOPBF-MAUKXSAKSA-N 1 3 324.896 3.882 20 0 DHADHO CC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000432423560 338156020 /nfs/dbraw/zinc/15/60/20/338156020.db2.gz KOUMQCCWHFOPBF-MAUKXSAKSA-N 1 3 324.896 3.882 20 0 DHADHO CC(C)c1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432426515 338156226 /nfs/dbraw/zinc/15/62/26/338156226.db2.gz RWVOLQSJTYXZCC-ROUUACIJSA-N 1 3 318.505 3.962 20 0 DHADHO CC(C)c1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432426515 338156227 /nfs/dbraw/zinc/15/62/27/338156227.db2.gz RWVOLQSJTYXZCC-ROUUACIJSA-N 1 3 318.505 3.962 20 0 DHADHO CCN(Cc1cccc(-c2ccccn2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435372793 338238215 /nfs/dbraw/zinc/23/82/15/338238215.db2.gz SORQNPZAYXALKG-LJQANCHMSA-N 1 3 309.457 3.713 20 0 DHADHO COc1ccccc1-c1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000435381866 338238414 /nfs/dbraw/zinc/23/84/14/338238414.db2.gz YJUIYQHVPLTWLE-SXLOBPIMSA-N 1 3 322.452 3.531 20 0 DHADHO CCCCN1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436276025 338265125 /nfs/dbraw/zinc/26/51/25/338265125.db2.gz RCODLCQLFDMOID-UHFFFAOYSA-N 1 3 303.425 3.661 20 0 DHADHO COCCC1(C[NH2+]CC[C@@H](C)N2CCCCC2)CCCCC1 ZINC000436422139 338272222 /nfs/dbraw/zinc/27/22/22/338272222.db2.gz YORBWYMOFLEGLO-GOSISDBHSA-N 1 3 310.526 3.828 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000437772914 338320821 /nfs/dbraw/zinc/32/08/21/338320821.db2.gz IVFOABSUHKKYCW-LJQANCHMSA-N 1 3 318.505 3.803 20 0 DHADHO C[C@H](CN1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000438100039 338331528 /nfs/dbraw/zinc/33/15/28/338331528.db2.gz YHYVESADGKAGOO-VQIMIIECSA-N 1 3 304.453 3.880 20 0 DHADHO Cc1ccc2cc(C[N@@H+](C)CC[C@@H]3CCCCN3C)ccc2n1 ZINC000438132737 338333977 /nfs/dbraw/zinc/33/39/77/338333977.db2.gz ZVJKBIFERYHFMT-IBGZPJMESA-N 1 3 311.473 3.849 20 0 DHADHO Cc1ccc2cc(C[N@H+](C)CC[C@@H]3CCCCN3C)ccc2n1 ZINC000438132737 338333978 /nfs/dbraw/zinc/33/39/78/338333978.db2.gz ZVJKBIFERYHFMT-IBGZPJMESA-N 1 3 311.473 3.849 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438221793 338337142 /nfs/dbraw/zinc/33/71/42/338337142.db2.gz XRUWOOLKEJNXAY-MISYRCLQSA-N 1 3 300.490 3.818 20 0 DHADHO CN1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000439010940 338358404 /nfs/dbraw/zinc/35/84/04/338358404.db2.gz ZFUISIBBXHPHTD-RTBURBONSA-N 1 3 323.569 3.599 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCSc2ccc(F)cc2)[C@@H](C)C1 ZINC000440698810 338395422 /nfs/dbraw/zinc/39/54/22/338395422.db2.gz WWXYNNTWCOWFEY-YOEHRIQHSA-N 1 3 310.482 3.580 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCSc2ccc(F)cc2)[C@@H](C)C1 ZINC000440698810 338395423 /nfs/dbraw/zinc/39/54/23/338395423.db2.gz WWXYNNTWCOWFEY-YOEHRIQHSA-N 1 3 310.482 3.580 20 0 DHADHO C[C@H]1COCC[C@H]1C[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449322965 338612812 /nfs/dbraw/zinc/61/28/12/338612812.db2.gz QUOICMBZVUYDPG-IRXDYDNUSA-N 1 3 324.553 3.928 20 0 DHADHO Cc1ccc(C[C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c(C)c1 ZINC000459414827 339027984 /nfs/dbraw/zinc/02/79/84/339027984.db2.gz OTTLMOUIDHKOAQ-GOSISDBHSA-N 1 3 323.484 3.888 20 0 DHADHO Cc1ccc(CC[C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)o1 ZINC000459420928 339028151 /nfs/dbraw/zinc/02/81/51/339028151.db2.gz LMRSFIUISGVXGX-HNNXBMFYSA-N 1 3 313.445 3.563 20 0 DHADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459434226 339029047 /nfs/dbraw/zinc/02/90/47/339029047.db2.gz HKHNJVVHBWITLG-CRAIPNDOSA-N 1 3 301.478 3.855 20 0 DHADHO C[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)C[C@H]1c1ccccc1 ZINC000459594862 339037925 /nfs/dbraw/zinc/03/79/25/339037925.db2.gz RZHOIQWLKLSSBL-SFTDATJTSA-N 1 3 321.468 3.834 20 0 DHADHO COC1CCC([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000459667627 339041728 /nfs/dbraw/zinc/04/17/28/339041728.db2.gz BGHMRFDYGLMLJQ-JVDULTGUSA-N 1 3 308.510 3.577 20 0 DHADHO CC[C@@H]1OCC[C@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000459746111 339045879 /nfs/dbraw/zinc/04/58/79/339045879.db2.gz UNDUGKAXSNAJQZ-SJORKVTESA-N 1 3 310.526 3.823 20 0 DHADHO CC(C)COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000166376298 339053167 /nfs/dbraw/zinc/05/31/67/339053167.db2.gz RQVDRSNAGFEFQN-XYJFISCASA-N 1 3 304.478 3.855 20 0 DHADHO CC(C)COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000166376298 339053168 /nfs/dbraw/zinc/05/31/68/339053168.db2.gz RQVDRSNAGFEFQN-XYJFISCASA-N 1 3 304.478 3.855 20 0 DHADHO C[N@H+](CCOc1ccccc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464842753 339156886 /nfs/dbraw/zinc/15/68/86/339156886.db2.gz LHLZNLACCIXVEK-HXUWFJFHSA-N 1 3 324.468 3.519 20 0 DHADHO C[N@@H+](CCOc1ccccc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464842753 339156887 /nfs/dbraw/zinc/15/68/87/339156887.db2.gz LHLZNLACCIXVEK-HXUWFJFHSA-N 1 3 324.468 3.519 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN2CCCC2)C1 ZINC000467372110 339234992 /nfs/dbraw/zinc/23/49/92/339234992.db2.gz ZIQSUUPFGCMJRZ-UHOSZYNNSA-N 1 3 315.505 3.738 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000468355562 339260441 /nfs/dbraw/zinc/26/04/41/339260441.db2.gz HLZVCDZRSPGTNW-RDBSUJKOSA-N 1 3 312.910 3.939 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000468355562 339260442 /nfs/dbraw/zinc/26/04/42/339260442.db2.gz HLZVCDZRSPGTNW-RDBSUJKOSA-N 1 3 312.910 3.939 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCC2CC2)[C@H](C)C1 ZINC000468922175 339274919 /nfs/dbraw/zinc/27/49/19/339274919.db2.gz HVSGFEHTRVZFQR-VQIMIIECSA-N 1 3 316.489 3.604 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2OC(C)(C)C)[C@H](C)C1 ZINC000469179362 339282165 /nfs/dbraw/zinc/28/21/65/339282165.db2.gz UDGDKACXZMBGPT-SJLPKXTDSA-N 1 3 318.505 3.992 20 0 DHADHO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000469806764 339301366 /nfs/dbraw/zinc/30/13/66/339301366.db2.gz LEWNRQOBUJFWKU-HOTGVXAUSA-N 1 3 304.478 3.856 20 0 DHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4ccccc4F)s3)C[C@@H]12 ZINC000469885027 339303822 /nfs/dbraw/zinc/30/38/22/339303822.db2.gz RPCXKFVZFKTFQF-XGWLTEMNSA-N 1 3 316.445 3.723 20 0 DHADHO CC(C)(Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1CCCNC1 ZINC000469977256 339306439 /nfs/dbraw/zinc/30/64/39/339306439.db2.gz RBQVBXGWXGCMTR-LBPRGKRZSA-N 1 3 315.288 3.904 20 0 DHADHO CC(C)(Cc1ccc(Cl)cc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000469977256 339306440 /nfs/dbraw/zinc/30/64/40/339306440.db2.gz RBQVBXGWXGCMTR-LBPRGKRZSA-N 1 3 315.288 3.904 20 0 DHADHO CC(C)(Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1CCCNC1 ZINC000469977255 339306511 /nfs/dbraw/zinc/30/65/11/339306511.db2.gz RBQVBXGWXGCMTR-GFCCVEGCSA-N 1 3 315.288 3.904 20 0 DHADHO CC(C)(Cc1ccc(Cl)cc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000469977255 339306512 /nfs/dbraw/zinc/30/65/12/339306512.db2.gz RBQVBXGWXGCMTR-GFCCVEGCSA-N 1 3 315.288 3.904 20 0 DHADHO C[C@@H](c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470992245 339333921 /nfs/dbraw/zinc/33/39/21/339333921.db2.gz HMQCIQVPDBPYOL-DZFGPLHGSA-N 1 3 306.453 3.811 20 0 DHADHO C[C@@H](c1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470992245 339333922 /nfs/dbraw/zinc/33/39/22/339333922.db2.gz HMQCIQVPDBPYOL-DZFGPLHGSA-N 1 3 306.453 3.811 20 0 DHADHO CC[NH+](CC)CCO[C@H]1CCN([C@H](C)c2ccccc2Cl)C1 ZINC000472265711 339368277 /nfs/dbraw/zinc/36/82/77/339368277.db2.gz YTHMALQCEQQUOH-CVEARBPZSA-N 1 3 324.896 3.834 20 0 DHADHO CC(C)COc1cccc(CN2CCCC23CC[NH+](C)CC3)c1 ZINC000472596194 339374810 /nfs/dbraw/zinc/37/48/10/339374810.db2.gz HQRRDZXTNMOBBC-UHFFFAOYSA-N 1 3 316.489 3.782 20 0 DHADHO CC(C)COc1cccc(C[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC000472596194 339374811 /nfs/dbraw/zinc/37/48/11/339374811.db2.gz HQRRDZXTNMOBBC-UHFFFAOYSA-N 1 3 316.489 3.782 20 0 DHADHO CC(C)COc1cccc(C[N@H+]2CCCC23CCN(C)CC3)c1 ZINC000472596194 339374812 /nfs/dbraw/zinc/37/48/12/339374812.db2.gz HQRRDZXTNMOBBC-UHFFFAOYSA-N 1 3 316.489 3.782 20 0 DHADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCCc1ccc(C)nc1 ZINC000474796800 339426383 /nfs/dbraw/zinc/42/63/83/339426383.db2.gz BWRDHTDLKQQFIY-WOJBJXKFSA-N 1 3 317.521 3.813 20 0 DHADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3C[C@H](C)[C@H]3C)CC2)cc1 ZINC000494906847 339964219 /nfs/dbraw/zinc/96/42/19/339964219.db2.gz FSZDIKVSOIPJNC-RZQQEMMASA-N 1 3 316.489 3.541 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000502480135 340105600 /nfs/dbraw/zinc/10/56/00/340105600.db2.gz GKNWDFFQOJKZES-OKYOBFRVSA-N 1 3 310.526 3.682 20 0 DHADHO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN(CC)CC)CCO1 ZINC000503556101 340130225 /nfs/dbraw/zinc/13/02/25/340130225.db2.gz BGITWCLDPQEEIK-FCGDIQPGSA-N 1 3 310.526 3.682 20 0 DHADHO CC[C@@H]1C[C@H](CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCO1 ZINC000507808846 340232484 /nfs/dbraw/zinc/23/24/84/340232484.db2.gz WVEZRSLTVCKOPQ-MTQWCTHYSA-N 1 3 322.537 3.778 20 0 DHADHO CC[C@@H]1C[C@H](CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCO1 ZINC000507808846 340232485 /nfs/dbraw/zinc/23/24/85/340232485.db2.gz WVEZRSLTVCKOPQ-MTQWCTHYSA-N 1 3 322.537 3.778 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000513213280 340397588 /nfs/dbraw/zinc/39/75/88/340397588.db2.gz UEHRFENBBDJLRB-UHFFFAOYSA-N 1 3 312.860 3.874 20 0 DHADHO CC(C)(C)[NH+]1CCC(NCCc2ccc(F)cc2Cl)CC1 ZINC000513213280 340397589 /nfs/dbraw/zinc/39/75/89/340397589.db2.gz UEHRFENBBDJLRB-UHFFFAOYSA-N 1 3 312.860 3.874 20 0 DHADHO CC[NH+]1CCC(CCN[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000513359620 340403627 /nfs/dbraw/zinc/40/36/27/340403627.db2.gz OEYWGLFXWKCLLZ-QGZVFWFLSA-N 1 3 308.416 3.664 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CCC([NH+]2CCCC2)CC1 ZINC000185276084 340499671 /nfs/dbraw/zinc/49/96/71/340499671.db2.gz HUGFJTXVCURIHH-UHFFFAOYSA-N 1 3 309.457 3.916 20 0 DHADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000191570333 340555819 /nfs/dbraw/zinc/55/58/19/340555819.db2.gz UUAMPLAPNJPBSW-OALUTQOASA-N 1 3 323.569 3.597 20 0 DHADHO C[C@H]1C[C@H](CNC(C)(C)c2nc3ccccc3s2)CC[NH2+]1 ZINC000530242205 340783452 /nfs/dbraw/zinc/78/34/52/340783452.db2.gz LSCSGABIYFESPT-QWHCGFSZSA-N 1 3 303.475 3.509 20 0 DHADHO COc1cccc([C@@H]2C[C@@H](C)CN2CC[C@H]2CCC[N@@H+]2C)c1 ZINC000544115936 341070924 /nfs/dbraw/zinc/07/09/24/341070924.db2.gz COHCSDSDRGUNII-SUMDDJOVSA-N 1 3 302.462 3.562 20 0 DHADHO COc1cccc([C@@H]2C[C@@H](C)CN2CC[C@H]2CCC[N@H+]2C)c1 ZINC000544115936 341070925 /nfs/dbraw/zinc/07/09/25/341070925.db2.gz COHCSDSDRGUNII-SUMDDJOVSA-N 1 3 302.462 3.562 20 0 DHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCCCCC1 ZINC000544379547 341079178 /nfs/dbraw/zinc/07/91/78/341079178.db2.gz PCERJTWOYAJROS-KZNAEPCWSA-N 1 3 310.526 3.824 20 0 DHADHO C[C@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)CN1CCCCC1 ZINC000564298462 341151109 /nfs/dbraw/zinc/15/11/09/341151109.db2.gz KYICOEPCWIORKS-ICXUMSERSA-N 1 3 322.443 3.922 20 0 DHADHO C[C@H](CNC1CC(c2cc(F)cc(F)c2)C1)C[NH+]1CCCCC1 ZINC000564298462 341151110 /nfs/dbraw/zinc/15/11/10/341151110.db2.gz KYICOEPCWIORKS-ICXUMSERSA-N 1 3 322.443 3.922 20 0 DHADHO C[C@H]1CCCCCN1CC1(C[N@@H+]2CCCCC[C@@H]2C)COC1 ZINC000547623643 341223542 /nfs/dbraw/zinc/22/35/42/341223542.db2.gz UGTMDBSPCZUTTP-ROUUACIJSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@H]1CCCCCN1CC1(C[N@H+]2CCCCC[C@@H]2C)COC1 ZINC000547623643 341223543 /nfs/dbraw/zinc/22/35/43/341223543.db2.gz UGTMDBSPCZUTTP-ROUUACIJSA-N 1 3 308.510 3.532 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OC(C)C)[C@H](C)C1 ZINC000081095258 341279636 /nfs/dbraw/zinc/27/96/36/341279636.db2.gz BLRWIFKOGNTPCG-AEFFLSMTSA-N 1 3 304.478 3.636 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OC(C)C)[C@H](C)C1 ZINC000081095258 341279637 /nfs/dbraw/zinc/27/96/37/341279637.db2.gz BLRWIFKOGNTPCG-AEFFLSMTSA-N 1 3 304.478 3.636 20 0 DHADHO COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c2ccccc12 ZINC000245708609 341311099 /nfs/dbraw/zinc/31/10/99/341311099.db2.gz CCEBBDNPPDKOID-FXAWDEMLSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c2ccccc12 ZINC000245708609 341311100 /nfs/dbraw/zinc/31/11/00/341311100.db2.gz CCEBBDNPPDKOID-FXAWDEMLSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc12 ZINC000245708609 341311101 /nfs/dbraw/zinc/31/11/01/341311101.db2.gz CCEBBDNPPDKOID-FXAWDEMLSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc12 ZINC000245708609 341311102 /nfs/dbraw/zinc/31/11/02/341311102.db2.gz CCEBBDNPPDKOID-FXAWDEMLSA-N 1 3 324.468 3.765 20 0 DHADHO CC(C)(C)c1ncc(CNCCCCC[NH+]2CCCC2)s1 ZINC000550266046 341313945 /nfs/dbraw/zinc/31/39/45/341313945.db2.gz NIYPVYRHMQUOEH-UHFFFAOYSA-N 1 3 309.523 3.796 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCCC23CCCC3)C[C@@H](C)O1 ZINC000550629083 341319967 /nfs/dbraw/zinc/31/99/67/341319967.db2.gz OJLOHALSBDDEKS-GUDVDZBRSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@H](c2ccccc2)C2CC2)C[C@H](C)O1 ZINC000245982437 341320925 /nfs/dbraw/zinc/32/09/25/341320925.db2.gz GZJSAOINMRYRAC-FUHIMQAGSA-N 1 3 316.489 3.617 20 0 DHADHO CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000550823714 341323675 /nfs/dbraw/zinc/32/36/75/341323675.db2.gz VUWYZSRXAITMOF-MISYRCLQSA-N 1 3 317.521 3.532 20 0 DHADHO COc1ccc([C@@H](C)NCCCCC[NH+]2CCCC2)c(OC)c1 ZINC000550882998 341325512 /nfs/dbraw/zinc/32/55/12/341325512.db2.gz VNFQVFQQPLNSAX-MRXNPFEDSA-N 1 3 320.477 3.621 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC000246121137 341327757 /nfs/dbraw/zinc/32/77/57/341327757.db2.gz KJKKJISZJCSVKO-IAGOWNOFSA-N 1 3 303.494 3.524 20 0 DHADHO C[C@@H]1CN(CC2CC[NH+]([C@H]3C=CCCCCC3)CC2)C[C@@H](C)O1 ZINC000551063009 341330660 /nfs/dbraw/zinc/33/06/60/341330660.db2.gz HKFYVNZSHOBVNJ-GGPKGHCWSA-N 1 3 320.521 3.697 20 0 DHADHO CC(F)(F)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000551238667 341334952 /nfs/dbraw/zinc/33/49/52/341334952.db2.gz AHLOECGSDVIQBJ-UHFFFAOYSA-N 1 3 308.416 3.762 20 0 DHADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000246309841 341341602 /nfs/dbraw/zinc/34/16/02/341341602.db2.gz DDVHRSJTDKODQM-OLZOCXBDSA-N 1 3 300.368 3.650 20 0 DHADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000246309841 341341603 /nfs/dbraw/zinc/34/16/03/341341603.db2.gz DDVHRSJTDKODQM-OLZOCXBDSA-N 1 3 300.368 3.650 20 0 DHADHO Fc1ccc2c(c1)[C@H](N1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)CC2 ZINC000246818731 341357256 /nfs/dbraw/zinc/35/72/56/341357256.db2.gz NPIUVWDQZACWFY-CWFSZBLJSA-N 1 3 314.448 3.762 20 0 DHADHO Fc1ccc2c(c1)[C@H](N1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)CC2 ZINC000246818731 341357257 /nfs/dbraw/zinc/35/72/57/341357257.db2.gz NPIUVWDQZACWFY-CWFSZBLJSA-N 1 3 314.448 3.762 20 0 DHADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c(OCC2CC2)c1 ZINC000246850573 341357821 /nfs/dbraw/zinc/35/78/21/341357821.db2.gz CADMETYUEMMQFU-JTDSTZFVSA-N 1 3 316.489 3.602 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247014247 341359850 /nfs/dbraw/zinc/35/98/50/341359850.db2.gz LJMNHFRCMSUMSH-SOUVJXGZSA-N 1 3 317.502 3.720 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247014247 341359851 /nfs/dbraw/zinc/35/98/51/341359851.db2.gz LJMNHFRCMSUMSH-SOUVJXGZSA-N 1 3 317.502 3.720 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247014247 341359852 /nfs/dbraw/zinc/35/98/52/341359852.db2.gz LJMNHFRCMSUMSH-SOUVJXGZSA-N 1 3 317.502 3.720 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000261558420 341372156 /nfs/dbraw/zinc/37/21/56/341372156.db2.gz SJFWPFQLXJWZRS-FPOVZHCZSA-N 1 3 324.468 3.525 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249269284 341395668 /nfs/dbraw/zinc/39/56/68/341395668.db2.gz JRGRBHRGJYDKEF-KFWWJZLASA-N 1 3 306.416 3.818 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000337346105 519770987 /nfs/dbraw/zinc/77/09/87/519770987.db2.gz VTZRCZLLISUHJD-QZTJIDSGSA-N 1 3 318.505 3.822 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000337346105 519770988 /nfs/dbraw/zinc/77/09/88/519770988.db2.gz VTZRCZLLISUHJD-QZTJIDSGSA-N 1 3 318.505 3.822 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000163265665 521710579 /nfs/dbraw/zinc/71/05/79/521710579.db2.gz LJMNHFRCMSUMSH-ILXRZTDVSA-N 1 3 317.502 3.720 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000163265665 521710583 /nfs/dbraw/zinc/71/05/83/521710583.db2.gz LJMNHFRCMSUMSH-ILXRZTDVSA-N 1 3 317.502 3.720 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000163265665 521710584 /nfs/dbraw/zinc/71/05/84/521710584.db2.gz LJMNHFRCMSUMSH-ILXRZTDVSA-N 1 3 317.502 3.720 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccccc1OC(F)F ZINC000163283813 522865849 /nfs/dbraw/zinc/86/58/49/522865849.db2.gz MLPUSLKQSBSIAD-UKRRQHHQSA-N 1 3 312.404 3.671 20 0 DHADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000156774966 525504652 /nfs/dbraw/zinc/50/46/52/525504652.db2.gz FEEQLFLHQVAZBJ-HZPDHXFCSA-N 1 3 316.489 3.999 20 0 DHADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000156774966 525504662 /nfs/dbraw/zinc/50/46/62/525504662.db2.gz FEEQLFLHQVAZBJ-HZPDHXFCSA-N 1 3 316.489 3.999 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367705429 525514868 /nfs/dbraw/zinc/51/48/68/525514868.db2.gz MPSOBZVIVCNERM-YLPFRIKTSA-N 1 3 314.473 3.630 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367705429 525514881 /nfs/dbraw/zinc/51/48/81/525514881.db2.gz MPSOBZVIVCNERM-YLPFRIKTSA-N 1 3 314.473 3.630 20 0 DHADHO C[C@H](c1ccc(Br)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226326622 526040764 /nfs/dbraw/zinc/04/07/64/526040764.db2.gz UHAKKOHMKDIYPM-OLZOCXBDSA-N 1 3 311.267 3.571 20 0 DHADHO Cc1ccc2cc(CNCc3cccc(C[NH+](C)C)c3)ccc2n1 ZINC000189242346 526232446 /nfs/dbraw/zinc/23/24/46/526232446.db2.gz GVRONLROUNLKTI-UHFFFAOYSA-N 1 3 319.452 3.895 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](CSc2ccccc2)C(C)C)C1 ZINC000180155329 1013055418 /nfs/dbraw/zinc/05/54/18/1013055418.db2.gz IUJARDMQKPOKKC-WMZOPIPTSA-N 1 3 306.519 3.735 20 0 DHADHO C[N@@H+]1CCC[C@H](CNCc2cc(-c3ccccc3)cs2)C1 ZINC000044532504 1013097328 /nfs/dbraw/zinc/09/73/28/1013097328.db2.gz BZKOFAXJHGDFPP-OAHLLOKOSA-N 1 3 300.471 3.847 20 0 DHADHO C[N@H+]1CCC[C@H](CNCc2cc(-c3ccccc3)cs2)C1 ZINC000044532504 1013097344 /nfs/dbraw/zinc/09/73/44/1013097344.db2.gz BZKOFAXJHGDFPP-OAHLLOKOSA-N 1 3 300.471 3.847 20 0 DHADHO C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000076443264 1013320260 /nfs/dbraw/zinc/32/02/60/1013320260.db2.gz ZLDNVMBLOKWFDM-UYAOXDASSA-N 1 3 308.469 3.902 20 0 DHADHO C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000076443264 1013320266 /nfs/dbraw/zinc/32/02/66/1013320266.db2.gz ZLDNVMBLOKWFDM-UYAOXDASSA-N 1 3 308.469 3.902 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000076443264 1013320274 /nfs/dbraw/zinc/32/02/74/1013320274.db2.gz ZLDNVMBLOKWFDM-UYAOXDASSA-N 1 3 308.469 3.902 20 0 DHADHO Fc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1F ZINC001167967949 1013347373 /nfs/dbraw/zinc/34/73/73/1013347373.db2.gz MEOMEVHEGUROSB-ALOPSCKCSA-N 1 3 320.427 3.502 20 0 DHADHO Fc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1F ZINC001167967949 1013347386 /nfs/dbraw/zinc/34/73/86/1013347386.db2.gz MEOMEVHEGUROSB-ALOPSCKCSA-N 1 3 320.427 3.502 20 0 DHADHO CCC[C@@H](C)CCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000625275979 1013580957 /nfs/dbraw/zinc/58/09/57/1013580957.db2.gz KSZMKEPEDKWPQZ-LJQANCHMSA-N 1 3 323.569 3.693 20 0 DHADHO CCC1([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000520269972 1013694333 /nfs/dbraw/zinc/69/43/33/1013694333.db2.gz HYXOEACQFFBVSW-WMZOPIPTSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000122854826 1013751614 /nfs/dbraw/zinc/75/16/14/1013751614.db2.gz XBCJCANAWQAKMP-LBPRGKRZSA-N 1 3 312.379 3.983 20 0 DHADHO c1ccc2c(c1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167995365 1013782809 /nfs/dbraw/zinc/78/28/09/1013782809.db2.gz CJZPLGHHCMDJLO-WCRBZPEASA-N 1 3 310.485 3.840 20 0 DHADHO c1ccc2c(c1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167995365 1013782815 /nfs/dbraw/zinc/78/28/15/1013782815.db2.gz CJZPLGHHCMDJLO-WCRBZPEASA-N 1 3 310.485 3.840 20 0 DHADHO c1ccc2c(c1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167995365 1013782821 /nfs/dbraw/zinc/78/28/21/1013782821.db2.gz CJZPLGHHCMDJLO-WCRBZPEASA-N 1 3 310.485 3.840 20 0 DHADHO c1ccc2c(c1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167995365 1013782828 /nfs/dbraw/zinc/78/28/28/1013782828.db2.gz CJZPLGHHCMDJLO-WCRBZPEASA-N 1 3 310.485 3.840 20 0 DHADHO C[C@H](c1cc(F)ccc1F)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978601 1013788218 /nfs/dbraw/zinc/78/82/18/1013788218.db2.gz VNBFPLZERNVAPY-KFWWJZLASA-N 1 3 308.416 3.737 20 0 DHADHO Cc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Cl)c1 ZINC000655942665 1013838953 /nfs/dbraw/zinc/83/89/53/1013838953.db2.gz WXKXGRLSONURIC-CGTJXYLNSA-N 1 3 322.880 3.509 20 0 DHADHO CO[C@H](CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CCCC1 ZINC001167426129 1014259956 /nfs/dbraw/zinc/25/99/56/1014259956.db2.gz UWYJWEOTGSRIOI-WSTZPKSXSA-N 1 3 322.537 3.778 20 0 DHADHO CO[C@H](CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C1CCCC1 ZINC001167426129 1014259966 /nfs/dbraw/zinc/25/99/66/1014259966.db2.gz UWYJWEOTGSRIOI-WSTZPKSXSA-N 1 3 322.537 3.778 20 0 DHADHO CO[C@H](CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CCCC1 ZINC001167426128 1014260587 /nfs/dbraw/zinc/26/05/87/1014260587.db2.gz UWYJWEOTGSRIOI-QWFCFKBJSA-N 1 3 322.537 3.778 20 0 DHADHO CO[C@H](CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C1CCCC1 ZINC001167426128 1014260595 /nfs/dbraw/zinc/26/05/95/1014260595.db2.gz UWYJWEOTGSRIOI-QWFCFKBJSA-N 1 3 322.537 3.778 20 0 DHADHO C[C@@H]1CC([NH2+]Cc2cncs2)C[C@@H](C)N1Cc1ccccc1 ZINC001168005520 1014402322 /nfs/dbraw/zinc/40/23/22/1014402322.db2.gz JGCZFWIKQUSWOG-HUUCEWRRSA-N 1 3 315.486 3.674 20 0 DHADHO COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1(CN(C)C)CCCC1 ZINC000580974597 1014497768 /nfs/dbraw/zinc/49/77/68/1014497768.db2.gz CCOMGKAGHIJESA-MRXNPFEDSA-N 1 3 320.452 3.533 20 0 DHADHO CC[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000665234507 1014505572 /nfs/dbraw/zinc/50/55/72/1014505572.db2.gz DZVKPBWAAQAVDO-GUYCJALGSA-N 1 3 315.436 3.660 20 0 DHADHO [NH3+][C@H]1C[C@H](NCCc2ccnc3ccccc23)c2ccccc21 ZINC000665238851 1014515459 /nfs/dbraw/zinc/51/54/59/1014515459.db2.gz FZXTWFGKBCVLJM-ICSRJNTNSA-N 1 3 303.409 3.512 20 0 DHADHO c1ccc2c(c1)C[C@@H]1[C@@H](C[NH2+]C3CCN(C4CCCCC4)CC3)[C@H]21 ZINC000127931678 1014519863 /nfs/dbraw/zinc/51/98/63/1014519863.db2.gz XCEVICRILBAPSH-YPAWHYETSA-N 1 3 324.512 3.959 20 0 DHADHO c1ccc2c(c1)CC[C@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665261452 1014598019 /nfs/dbraw/zinc/59/80/19/1014598019.db2.gz CSHLVFXQBCSDFQ-SBHAEUEKSA-N 1 3 320.436 3.519 20 0 DHADHO CC(C)[C@@H](CNC1CC(c2cc(F)cc(F)c2)C1)[NH+]1CCCC1 ZINC000520890920 1014607965 /nfs/dbraw/zinc/60/79/65/1014607965.db2.gz FEWHUCJKQNROQS-XUJQIHCRSA-N 1 3 322.443 3.921 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC2CC2)c(F)c1 ZINC000581200857 1014610796 /nfs/dbraw/zinc/61/07/96/1014610796.db2.gz TURINAYMTOCSTB-VBNZEHGJSA-N 1 3 306.425 3.535 20 0 DHADHO C[C@@H](NC(CCC(F)(F)F)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000665272909 1014628726 /nfs/dbraw/zinc/62/87/26/1014628726.db2.gz NHGSZIXITKVBRP-KOLCDFICSA-N 1 3 320.321 3.770 20 0 DHADHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(OC(F)F)cc1 ZINC000665279520 1014665198 /nfs/dbraw/zinc/66/51/98/1014665198.db2.gz FIAADVZZLIAHLW-HUUCEWRRSA-N 1 3 300.393 3.702 20 0 DHADHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(OC(F)F)cc1 ZINC000665279519 1014665932 /nfs/dbraw/zinc/66/59/32/1014665932.db2.gz FIAADVZZLIAHLW-CABCVRRESA-N 1 3 300.393 3.702 20 0 DHADHO CC[N@H+](CCCN1CCCC1)Cc1cc(F)cc2cccnc21 ZINC000349385686 1014715435 /nfs/dbraw/zinc/71/54/35/1014715435.db2.gz RBMQDPJIPCBXSW-UHFFFAOYSA-N 1 3 315.436 3.682 20 0 DHADHO CC[N@@H+](CCCN1CCCC1)Cc1cc(F)cc2cccnc21 ZINC000349385686 1014715446 /nfs/dbraw/zinc/71/54/46/1014715446.db2.gz RBMQDPJIPCBXSW-UHFFFAOYSA-N 1 3 315.436 3.682 20 0 DHADHO CN(Cc1ccc(Cl)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000123917884 1014784284 /nfs/dbraw/zinc/78/42/84/1014784284.db2.gz KCDDIEICDYZVHV-UHFFFAOYSA-N 1 3 300.833 3.618 20 0 DHADHO COc1cccc2cc(C[NH2+]CC3(CN(C)C)CCCC3)oc21 ZINC000759184321 1014971311 /nfs/dbraw/zinc/97/13/11/1014971311.db2.gz AJEVVQPDTKTULS-UHFFFAOYSA-N 1 3 316.445 3.653 20 0 DHADHO Clc1ccc([C@@H]2C[C@@H]2CN2CCC([NH+]3CCC3)CC2)cc1 ZINC001207196449 1015041575 /nfs/dbraw/zinc/04/15/75/1015041575.db2.gz LSACQULSMYMMQP-QAPCUYQASA-N 1 3 304.865 3.614 20 0 DHADHO c1nc(C2CCC2)sc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656785438 1015157582 /nfs/dbraw/zinc/15/75/82/1015157582.db2.gz HFOWIRPLCNNEMY-INIZCTEOSA-N 1 3 319.518 3.622 20 0 DHADHO FC(F)Oc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000052441481 1015163967 /nfs/dbraw/zinc/16/39/67/1015163967.db2.gz DJYJKULHVXNSPQ-UHFFFAOYSA-N 1 3 324.415 3.596 20 0 DHADHO CCOC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000474818116 1015617494 /nfs/dbraw/zinc/61/74/94/1015617494.db2.gz PZBPPNVKHHYUQU-APWZRJJASA-N 1 3 308.510 3.578 20 0 DHADHO CN1CCC[C@H]1CC[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000933819395 1015678282 /nfs/dbraw/zinc/67/82/82/1015678282.db2.gz PCDHMKQNYFKMKF-KRWDZBQOSA-N 1 3 309.457 3.741 20 0 DHADHO CN1CCC[C@H]1CC[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000933819395 1015678286 /nfs/dbraw/zinc/67/82/86/1015678286.db2.gz PCDHMKQNYFKMKF-KRWDZBQOSA-N 1 3 309.457 3.741 20 0 DHADHO FC(F)Oc1cccc(Cl)c1CNCCC[C@H]1CCC[NH2+]1 ZINC000666902435 1032138850 /nfs/dbraw/zinc/13/88/50/1032138850.db2.gz WROQFKWGASDXCU-NSHDSACASA-N 1 3 318.795 3.563 20 0 DHADHO C[NH+]1CCC(CN2CCCC[C@@H]2c2nc3ccccc3o2)CC1 ZINC000892162377 1016326032 /nfs/dbraw/zinc/32/60/32/1016326032.db2.gz XJXCDFAQIHLQDN-QGZVFWFLSA-N 1 3 313.445 3.697 20 0 DHADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346666507 1016500201 /nfs/dbraw/zinc/50/02/01/1016500201.db2.gz YKFYBSVQBFXDDZ-JSGCOSHPSA-N 1 3 304.434 3.723 20 0 DHADHO CCCCOc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000623359779 1016989491 /nfs/dbraw/zinc/98/94/91/1016989491.db2.gz ATWMDZMZWHLRPE-KRWDZBQOSA-N 1 3 304.478 3.828 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(N2CCCC2)c1 ZINC000623444553 1017051362 /nfs/dbraw/zinc/05/13/62/1017051362.db2.gz KOCYSOSTJHQNSF-FUHWJXTLSA-N 1 3 315.505 3.810 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(N2CCCC2)c1 ZINC000623444553 1017051370 /nfs/dbraw/zinc/05/13/70/1017051370.db2.gz KOCYSOSTJHQNSF-FUHWJXTLSA-N 1 3 315.505 3.810 20 0 DHADHO Cc1cnccc1CNCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000294864228 1032185200 /nfs/dbraw/zinc/18/52/00/1032185200.db2.gz WBDNXMYLGXKGHH-UHFFFAOYSA-N 1 3 323.484 3.912 20 0 DHADHO Clc1ccccc1[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000294999554 1032241695 /nfs/dbraw/zinc/24/16/95/1032241695.db2.gz LXQBBCMQFDVRLK-YHUYYLMFSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccccc1[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000294999554 1032241708 /nfs/dbraw/zinc/24/17/08/1032241708.db2.gz LXQBBCMQFDVRLK-YHUYYLMFSA-N 1 3 304.865 3.802 20 0 DHADHO COc1ccc2cc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)ccc2c1 ZINC000119432689 1032292322 /nfs/dbraw/zinc/29/23/22/1032292322.db2.gz HNORRZPQBJNONJ-STXHMFSFSA-N 1 3 312.457 3.667 20 0 DHADHO COc1ccc2cc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)ccc2c1 ZINC000119432689 1032292333 /nfs/dbraw/zinc/29/23/33/1032292333.db2.gz HNORRZPQBJNONJ-STXHMFSFSA-N 1 3 312.457 3.667 20 0 DHADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000179634657 1017277281 /nfs/dbraw/zinc/27/72/81/1017277281.db2.gz BVDZFKIDPVYDMB-HNNXBMFYSA-N 1 3 300.471 3.799 20 0 DHADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000179634657 1017277285 /nfs/dbraw/zinc/27/72/85/1017277285.db2.gz BVDZFKIDPVYDMB-HNNXBMFYSA-N 1 3 300.471 3.799 20 0 DHADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000475208090 1017082649 /nfs/dbraw/zinc/08/26/49/1017082649.db2.gz IKRIWWKCFZBOGP-IRXDYDNUSA-N 1 3 318.505 3.899 20 0 DHADHO CC[NH+](CC)CCOC1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000075007706 1017287802 /nfs/dbraw/zinc/28/78/02/1017287802.db2.gz SVXVQBOOBFDDPC-INIZCTEOSA-N 1 3 322.468 3.710 20 0 DHADHO C[NH+]1CCC2(CCN(Cc3cnc(C(C)(C)C)s3)CC2)CC1 ZINC000877684087 1033410757 /nfs/dbraw/zinc/41/07/57/1033410757.db2.gz FXUXQZQXZSWYQJ-UHFFFAOYSA-N 1 3 321.534 3.748 20 0 DHADHO CCOc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000123720048 1032655341 /nfs/dbraw/zinc/65/53/41/1032655341.db2.gz WOCZTDSVUYLPSO-MRXNPFEDSA-N 1 3 312.457 3.998 20 0 DHADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000037140852 1012836024 /nfs/dbraw/zinc/83/60/24/1012836024.db2.gz BGAAHLAIZONIBS-LBPRGKRZSA-N 1 3 323.278 3.727 20 0 DHADHO F[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000517104963 1012911908 /nfs/dbraw/zinc/91/19/08/1012911908.db2.gz WRZVNFWMQGANOV-ZRSRNVLSSA-N 1 3 302.437 3.662 20 0 DHADHO COC1(CNC2CC[NH+](C3CCCCC3)CC2)CCC(C)CC1 ZINC000475421128 1017211341 /nfs/dbraw/zinc/21/13/41/1017211341.db2.gz ASHOLOZJBJILCG-UHFFFAOYSA-N 1 3 322.537 3.968 20 0 DHADHO COC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC(C)CC1 ZINC000475421128 1017211347 /nfs/dbraw/zinc/21/13/47/1017211347.db2.gz ASHOLOZJBJILCG-UHFFFAOYSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@H]1CCC[C@@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657612978 1017573394 /nfs/dbraw/zinc/57/33/94/1017573394.db2.gz HOBDPGMNNCZWMA-FXAWDEMLSA-N 1 3 315.505 3.710 20 0 DHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624121105 1017694855 /nfs/dbraw/zinc/69/48/55/1017694855.db2.gz OAHNKYOEVQAIDN-ZACQAIPSSA-N 1 3 304.478 3.509 20 0 DHADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123457 1017696580 /nfs/dbraw/zinc/69/65/80/1017696580.db2.gz MGMPTXLGMWSGEF-HNAYVOBHSA-N 1 3 316.489 3.739 20 0 DHADHO Cc1cccc([C@H](N[C@@H](C)C2CC[NH+](C)CC2)c2ccccn2)c1 ZINC000090946757 1017833945 /nfs/dbraw/zinc/83/39/45/1017833945.db2.gz PTBGDBKWDHCCCD-UWJYYQICSA-N 1 3 323.484 3.799 20 0 DHADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(CO)c1 ZINC000183216372 1018003397 /nfs/dbraw/zinc/00/33/97/1018003397.db2.gz AXCDMHIKFXASNE-QGZVFWFLSA-N 1 3 324.468 3.626 20 0 DHADHO C[C@H]([NH2+]CCCc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185747597 1018127538 /nfs/dbraw/zinc/12/75/38/1018127538.db2.gz ZFAZSRXZKBXQLT-HKUYNNGSSA-N 1 3 300.490 3.862 20 0 DHADHO COc1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000380189338 1018133857 /nfs/dbraw/zinc/13/38/57/1018133857.db2.gz PRBCISHLEJVLFJ-XLIONFOSSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381987219 1018293148 /nfs/dbraw/zinc/29/31/48/1018293148.db2.gz XBHAZCRTLCXWBN-JQHSSLGASA-N 1 3 322.443 3.922 20 0 DHADHO CCc1cccc(F)c1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000525976878 1018409020 /nfs/dbraw/zinc/40/90/20/1018409020.db2.gz CTYMUFUDYFHFQD-UHFFFAOYSA-N 1 3 306.469 3.940 20 0 DHADHO CCc1cccc(F)c1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000525976878 1018409023 /nfs/dbraw/zinc/40/90/23/1018409023.db2.gz CTYMUFUDYFHFQD-UHFFFAOYSA-N 1 3 306.469 3.940 20 0 DHADHO CC[C@@H](NC[C@H](CC)[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000764871817 1018411869 /nfs/dbraw/zinc/41/18/69/1018411869.db2.gz ZBYMVQBDSUNLQI-ZWKOTPCHSA-N 1 3 302.462 3.537 20 0 DHADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(F)c(Cl)c1 ZINC000635011210 1018510932 /nfs/dbraw/zinc/51/09/32/1018510932.db2.gz PNYCREVHOOQYQR-GFCCVEGCSA-N 1 3 318.823 3.976 20 0 DHADHO CO[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC000657766890 1018525560 /nfs/dbraw/zinc/52/55/60/1018525560.db2.gz FPHXSEXDTMVNFZ-IBGZPJMESA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000427690480 1018539120 /nfs/dbraw/zinc/53/91/20/1018539120.db2.gz OMDLCMKSUOLSHX-VQTJNVASSA-N 1 3 302.506 3.964 20 0 DHADHO CCC[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833743 1018605413 /nfs/dbraw/zinc/60/54/13/1018605413.db2.gz OKVWKMJEZQUWII-MJGOQNOKSA-N 1 3 302.462 3.610 20 0 DHADHO CCC[C@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833743 1018605420 /nfs/dbraw/zinc/60/54/20/1018605420.db2.gz OKVWKMJEZQUWII-MJGOQNOKSA-N 1 3 302.462 3.610 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000675897593 1018619227 /nfs/dbraw/zinc/61/92/27/1018619227.db2.gz GRJKWRMDNORXBH-QAPCUYQASA-N 1 3 322.880 3.525 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000675897593 1018619234 /nfs/dbraw/zinc/61/92/34/1018619234.db2.gz GRJKWRMDNORXBH-QAPCUYQASA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000675897593 1018619237 /nfs/dbraw/zinc/61/92/37/1018619237.db2.gz GRJKWRMDNORXBH-QAPCUYQASA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000675897593 1018619244 /nfs/dbraw/zinc/61/92/44/1018619244.db2.gz GRJKWRMDNORXBH-QAPCUYQASA-N 1 3 322.880 3.525 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000926523626 1018654353 /nfs/dbraw/zinc/65/43/53/1018654353.db2.gz DYZKPPRGFKZLGQ-PKOBYXMFSA-N 1 3 310.526 3.538 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2c1cccc2Cl ZINC000650758255 1018694816 /nfs/dbraw/zinc/69/48/16/1018694816.db2.gz LWCKJGGXJPKHRZ-SFHVURJKSA-N 1 3 300.833 3.837 20 0 DHADHO CCO[C@@H]1CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000676413907 1018724805 /nfs/dbraw/zinc/72/48/05/1018724805.db2.gz KXVXUJOQUSBONY-LJQANCHMSA-N 1 3 318.505 3.646 20 0 DHADHO CCO[C@@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000676413907 1018724816 /nfs/dbraw/zinc/72/48/16/1018724816.db2.gz KXVXUJOQUSBONY-LJQANCHMSA-N 1 3 318.505 3.646 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C[C@H](C)O1 ZINC000765404337 1018777750 /nfs/dbraw/zinc/77/77/50/1018777750.db2.gz DCQFRAVJBDFWGH-LJDSDSDDSA-N 1 3 322.537 3.824 20 0 DHADHO Cc1ccc2c(c1)CC[C@H]2NCc1ccccc1OCC[NH+](C)C ZINC000765476602 1018800827 /nfs/dbraw/zinc/80/08/27/1018800827.db2.gz YKEWWMOQQNODFF-HXUWFJFHSA-N 1 3 324.468 3.713 20 0 DHADHO COc1ccc2c(c1)nccc2N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000765486868 1018808000 /nfs/dbraw/zinc/80/80/00/1018808000.db2.gz CKGNAYNMKNCRHL-UHFFFAOYSA-N 1 3 313.445 3.554 20 0 DHADHO COc1ccc2c(c1)nccc2N1CCC[N@H+](C(C)(C)C)CC1 ZINC000765486868 1018808022 /nfs/dbraw/zinc/80/80/22/1018808022.db2.gz CKGNAYNMKNCRHL-UHFFFAOYSA-N 1 3 313.445 3.554 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccnc(-c3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000624267486 1018825607 /nfs/dbraw/zinc/82/56/07/1018825607.db2.gz OIUVPRUNGOGPFZ-ZJOUEHCJSA-N 1 3 321.468 3.711 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccnc(-c3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000624267486 1018825626 /nfs/dbraw/zinc/82/56/26/1018825626.db2.gz OIUVPRUNGOGPFZ-ZJOUEHCJSA-N 1 3 321.468 3.711 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000624267486 1018825646 /nfs/dbraw/zinc/82/56/46/1018825646.db2.gz OIUVPRUNGOGPFZ-ZJOUEHCJSA-N 1 3 321.468 3.711 20 0 DHADHO CCc1oc2ccccc2c1C[NH2+]CCCN1CCCCC1 ZINC000386109569 1018839080 /nfs/dbraw/zinc/83/90/80/1018839080.db2.gz QCIZAASWYRJWBI-UHFFFAOYSA-N 1 3 300.446 3.961 20 0 DHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168686524 1018980940 /nfs/dbraw/zinc/98/09/40/1018980940.db2.gz YUXOXOICAYTZCN-INMHGKMJSA-N 1 3 320.908 3.765 20 0 DHADHO CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995784 1032801071 /nfs/dbraw/zinc/80/10/71/1032801071.db2.gz ZXPHXRGXBIXNSN-GDBMZVCRSA-N 1 3 304.503 3.604 20 0 DHADHO CN(CCC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1)c1ccccc1 ZINC001171619782 1032803103 /nfs/dbraw/zinc/80/31/03/1032803103.db2.gz PYXLIDVZAYZGSU-UHFFFAOYSA-N 1 3 317.521 3.754 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168692684 1019060051 /nfs/dbraw/zinc/06/00/51/1019060051.db2.gz RWDCJPAUCYOVHC-GOEBONIOSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168692684 1019060064 /nfs/dbraw/zinc/06/00/64/1019060064.db2.gz RWDCJPAUCYOVHC-GOEBONIOSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCCN[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168692684 1019060072 /nfs/dbraw/zinc/06/00/72/1019060072.db2.gz RWDCJPAUCYOVHC-GOEBONIOSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995073 1032808209 /nfs/dbraw/zinc/80/82/09/1032808209.db2.gz CCNWDAGINOBPSU-QWHCGFSZSA-N 1 3 312.910 3.987 20 0 DHADHO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1cc2ccncc2s1 ZINC000657847728 1019150102 /nfs/dbraw/zinc/15/01/02/1019150102.db2.gz YQWMMFYUBYGLAB-ZDUSSCGKSA-N 1 3 315.486 3.821 20 0 DHADHO Cc1nc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)sc1C(C)(C)C ZINC000923361531 1019156446 /nfs/dbraw/zinc/15/64/46/1019156446.db2.gz FVYOOFXXAMYAIJ-LSDHHAIUSA-N 1 3 321.534 3.571 20 0 DHADHO CCC[N@H+](C)C[C@@H]1CCN(CCCCOc2ccccc2)C1 ZINC000081578986 1019208624 /nfs/dbraw/zinc/20/86/24/1019208624.db2.gz KRUCIYBHRLPFFZ-SFHVURJKSA-N 1 3 304.478 3.509 20 0 DHADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCCOc2ccccc2)C1 ZINC000081578986 1019208634 /nfs/dbraw/zinc/20/86/34/1019208634.db2.gz KRUCIYBHRLPFFZ-SFHVURJKSA-N 1 3 304.478 3.509 20 0 DHADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000166479168 1019373948 /nfs/dbraw/zinc/37/39/48/1019373948.db2.gz XCUKNJCAJVFLIH-LSDHHAIUSA-N 1 3 306.881 3.834 20 0 DHADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000166479168 1019373960 /nfs/dbraw/zinc/37/39/60/1019373960.db2.gz XCUKNJCAJVFLIH-LSDHHAIUSA-N 1 3 306.881 3.834 20 0 DHADHO Cc1ccc(CC[C@H](C)[NH+]2CCC(N(C)C3CC3)CC2)cc1 ZINC001171682863 1032835529 /nfs/dbraw/zinc/83/55/29/1032835529.db2.gz XNASKCYBIGBCKV-KRWDZBQOSA-N 1 3 300.490 3.875 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001171637912 1032837148 /nfs/dbraw/zinc/83/71/48/1032837148.db2.gz SIFMYIHVMDZOMV-GFCCVEGCSA-N 1 3 306.416 3.912 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001171637912 1032837163 /nfs/dbraw/zinc/83/71/63/1032837163.db2.gz SIFMYIHVMDZOMV-GFCCVEGCSA-N 1 3 306.416 3.912 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(C)s2)[C@H](C)C1 ZINC000151941598 1019881779 /nfs/dbraw/zinc/88/17/79/1019881779.db2.gz WFWGHXJQPHIAEA-PVAVHDDUSA-N 1 3 324.534 3.844 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(C)s2)[C@H](C)C1 ZINC000151941598 1019881797 /nfs/dbraw/zinc/88/17/97/1019881797.db2.gz WFWGHXJQPHIAEA-PVAVHDDUSA-N 1 3 324.534 3.844 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2oc(C)nc2C)CC1)CC(C)C ZINC000685570534 1019958606 /nfs/dbraw/zinc/95/86/06/1019958606.db2.gz KAKNXCHMRUTSLN-UHFFFAOYSA-N 1 3 321.509 3.871 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2oc(C)nc2C)CC1)CC(C)C ZINC000685570534 1019958611 /nfs/dbraw/zinc/95/86/11/1019958611.db2.gz KAKNXCHMRUTSLN-UHFFFAOYSA-N 1 3 321.509 3.871 20 0 DHADHO CCOC1CCC([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000657969685 1020047290 /nfs/dbraw/zinc/04/72/90/1020047290.db2.gz SZQWQIHZSOILDM-XNYRCJLNSA-N 1 3 308.510 3.577 20 0 DHADHO Cc1ccccc1CNC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309841403 1020133257 /nfs/dbraw/zinc/13/32/57/1020133257.db2.gz WFXSOFRUYSLNJA-OAQYLSRUSA-N 1 3 308.469 3.997 20 0 DHADHO Cc1ccccc1CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309841403 1020133265 /nfs/dbraw/zinc/13/32/65/1020133265.db2.gz WFXSOFRUYSLNJA-OAQYLSRUSA-N 1 3 308.469 3.997 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000731675411 1020136590 /nfs/dbraw/zinc/13/65/90/1020136590.db2.gz TZNSNJAYHLGTMY-UHFFFAOYSA-N 1 3 316.489 3.754 20 0 DHADHO Cc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658167414 1020200372 /nfs/dbraw/zinc/20/03/72/1020200372.db2.gz OUXBBJRJVWRNDD-SFHVURJKSA-N 1 3 323.484 3.953 20 0 DHADHO c1ccc2c(c1)[nH]c1c2C[C@@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000658229054 1020238802 /nfs/dbraw/zinc/23/88/02/1020238802.db2.gz OKNQWPHMMQDUMQ-HZPDHXFCSA-N 1 3 323.484 3.632 20 0 DHADHO c1ccc2c(c1)[nH]c1c2C[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000658229054 1020238807 /nfs/dbraw/zinc/23/88/07/1020238807.db2.gz OKNQWPHMMQDUMQ-HZPDHXFCSA-N 1 3 323.484 3.632 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000623656567 1020338979 /nfs/dbraw/zinc/33/89/79/1020338979.db2.gz XNDQGYGIQPBQCS-AWEZNQCLSA-N 1 3 317.864 3.710 20 0 DHADHO CCC[C@H](C)CCCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000625117377 1020376806 /nfs/dbraw/zinc/37/68/06/1020376806.db2.gz DFLIZPVNVHTGOG-XUVXKRRUSA-N 1 3 323.569 3.693 20 0 DHADHO CC[N@H+]1CC[C@@H](NCc2cn(C(F)F)c3ccccc23)[C@@H](C)C1 ZINC000858535529 1032936103 /nfs/dbraw/zinc/93/61/03/1032936103.db2.gz BIMOGPOWTTZHIJ-XJKSGUPXSA-N 1 3 321.415 3.856 20 0 DHADHO CC[N@@H+]1CC[C@@H](NCc2cn(C(F)F)c3ccccc23)[C@@H](C)C1 ZINC000858535529 1032936098 /nfs/dbraw/zinc/93/60/98/1032936098.db2.gz BIMOGPOWTTZHIJ-XJKSGUPXSA-N 1 3 321.415 3.856 20 0 DHADHO Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000537881825 1032937100 /nfs/dbraw/zinc/93/71/00/1032937100.db2.gz BCBOMBWBKFCQTB-UYAOXDASSA-N 1 3 323.484 3.605 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N(C)CCC[NH+](C)C ZINC001171967767 1032938620 /nfs/dbraw/zinc/93/86/20/1032938620.db2.gz BIBCDZUFLXBZMB-CYBMUJFWSA-N 1 3 302.384 3.520 20 0 DHADHO CC(C)(C)O[C@@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000414123893 1020915468 /nfs/dbraw/zinc/91/54/68/1020915468.db2.gz BRUHCRNSZXMHGO-SJJHQCBESA-N 1 3 308.510 3.575 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c(C)c1 ZINC000414132730 1020922380 /nfs/dbraw/zinc/92/23/80/1020922380.db2.gz ZVLLWZHDLBXJSD-DLBZAZTESA-N 1 3 304.478 3.775 20 0 DHADHO CO[C@@](C)([C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000414231595 1021018295 /nfs/dbraw/zinc/01/82/95/1021018295.db2.gz HJGPSEQCKINLKP-KXBFYZLASA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@@](C)([C@H](C)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000414231595 1021018298 /nfs/dbraw/zinc/01/82/98/1021018298.db2.gz HJGPSEQCKINLKP-KXBFYZLASA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)OCC3CC3)CC2)C1 ZINC000414269501 1021047745 /nfs/dbraw/zinc/04/77/45/1021047745.db2.gz OPBXFGHWLNPWNI-APWZRJJASA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccnn1-c1ccccc1 ZINC000423296178 1021166312 /nfs/dbraw/zinc/16/63/12/1021166312.db2.gz YOIRCXBIESNSMF-JKSUJKDBSA-N 1 3 320.440 3.743 20 0 DHADHO Cc1cc(Br)cc2c1[C@H](N[C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423358639 1021186863 /nfs/dbraw/zinc/18/68/63/1021186863.db2.gz CBMWUDHEDZIAII-SOUVJXGZSA-N 1 3 323.278 3.604 20 0 DHADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)c2cccc(Br)c21 ZINC000423407303 1021197906 /nfs/dbraw/zinc/19/79/06/1021197906.db2.gz ZTNMGWTURHDFSB-YXMPFFBPSA-N 1 3 323.278 3.857 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(OC(F)F)c1 ZINC000624119496 1021346553 /nfs/dbraw/zinc/34/65/53/1021346553.db2.gz CZZUDAAWIOUZNS-KBPBESRZSA-N 1 3 312.404 3.671 20 0 DHADHO C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123134 1021547341 /nfs/dbraw/zinc/54/73/41/1021547341.db2.gz GLYWCADBPJDPKF-HOTGVXAUSA-N 1 3 300.446 3.685 20 0 DHADHO CC(C)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000037423725 1032995196 /nfs/dbraw/zinc/99/51/96/1032995196.db2.gz WVSUNCUPPUGMHN-UHFFFAOYSA-N 1 3 301.261 3.956 20 0 DHADHO CCc1oc2ccccc2c1C[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000093770275 1021676202 /nfs/dbraw/zinc/67/62/02/1021676202.db2.gz HRAQMPPTOJTJED-OAHLLOKOSA-N 1 3 300.446 3.769 20 0 DHADHO CCc1oc2ccccc2c1C[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000093770275 1021676206 /nfs/dbraw/zinc/67/62/06/1021676206.db2.gz HRAQMPPTOJTJED-OAHLLOKOSA-N 1 3 300.446 3.769 20 0 DHADHO Cc1ccc(CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000309796688 1021708774 /nfs/dbraw/zinc/70/87/74/1021708774.db2.gz IVXXURDKDPLSLX-OAQYLSRUSA-N 1 3 308.469 3.997 20 0 DHADHO Cc1ccc(CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000309796688 1021708787 /nfs/dbraw/zinc/70/87/87/1021708787.db2.gz IVXXURDKDPLSLX-OAQYLSRUSA-N 1 3 308.469 3.997 20 0 DHADHO COc1ccccc1[C@@H](NCC1CC[NH+](C)CC1)c1ccccc1 ZINC000892948243 1021718578 /nfs/dbraw/zinc/71/85/78/1021718578.db2.gz OUSJSPSFOOOFQO-NRFANRHFSA-N 1 3 324.468 3.716 20 0 DHADHO CCOc1cccc([C@@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172104729 1033003775 /nfs/dbraw/zinc/00/37/75/1033003775.db2.gz COAQGZPRZZDNFR-NRSFXHEJSA-N 1 3 302.462 3.751 20 0 DHADHO CCOc1cccc([C@@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172104729 1033003786 /nfs/dbraw/zinc/00/37/86/1033003786.db2.gz COAQGZPRZZDNFR-NRSFXHEJSA-N 1 3 302.462 3.751 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c1c(F)ccc3F)C2 ZINC001172108675 1033008661 /nfs/dbraw/zinc/00/86/61/1033008661.db2.gz CWUAIRMXKJYCSJ-LKQDWFRTSA-N 1 3 306.400 3.557 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](c1ccnc(Cl)c1)C1CC1)C2 ZINC001172109268 1033011631 /nfs/dbraw/zinc/01/16/31/1033011631.db2.gz JGXZUDCOSRILRC-XLMAVXFVSA-N 1 3 319.880 3.791 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](c1ccnc(Cl)c1)C1CC1)C2 ZINC001172109268 1033011636 /nfs/dbraw/zinc/01/16/36/1033011636.db2.gz JGXZUDCOSRILRC-XLMAVXFVSA-N 1 3 319.880 3.791 20 0 DHADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccccc1C(F)(F)F ZINC000538244210 1033013740 /nfs/dbraw/zinc/01/37/40/1033013740.db2.gz HZKUVROAVTWVHM-CHWSQXEVSA-N 1 3 300.368 3.840 20 0 DHADHO CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1Cl ZINC000556879017 1021923018 /nfs/dbraw/zinc/92/30/18/1021923018.db2.gz CXEVKPGOHXVEDE-OIISXLGYSA-N 1 3 322.880 3.701 20 0 DHADHO CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1Cl ZINC000556879017 1021923023 /nfs/dbraw/zinc/92/30/23/1021923023.db2.gz CXEVKPGOHXVEDE-OIISXLGYSA-N 1 3 322.880 3.701 20 0 DHADHO CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1Cl ZINC000556879017 1021923033 /nfs/dbraw/zinc/92/30/33/1021923033.db2.gz CXEVKPGOHXVEDE-OIISXLGYSA-N 1 3 322.880 3.701 20 0 DHADHO COc1c(F)cccc1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172115740 1033016779 /nfs/dbraw/zinc/01/67/79/1033016779.db2.gz ZTGWXKWXIYGOKU-XQLPTFJDSA-N 1 3 306.425 3.500 20 0 DHADHO COc1cccc(C(C)(C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172112920 1033018376 /nfs/dbraw/zinc/01/83/76/1033018376.db2.gz CTPWRWJFKDHYAL-OSYLJGHBSA-N 1 3 302.462 3.535 20 0 DHADHO COc1cccc(C(C)(C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172112920 1033018396 /nfs/dbraw/zinc/01/83/96/1033018396.db2.gz CTPWRWJFKDHYAL-OSYLJGHBSA-N 1 3 302.462 3.535 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@]3(O)CCCC3(C)C)CC2)C1 ZINC000556934500 1021957579 /nfs/dbraw/zinc/95/75/79/1021957579.db2.gz WFFVOPVIRJMDQK-KPFFTGBYSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@]3(O)CCCC3(C)C)CC2)C1 ZINC000556934500 1021957588 /nfs/dbraw/zinc/95/75/88/1021957588.db2.gz WFFVOPVIRJMDQK-KPFFTGBYSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@H](N)c1ncc(-c2ccccc2)n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172111490 1033020796 /nfs/dbraw/zinc/02/07/96/1033020796.db2.gz RQQBROVDODVOKL-DZJNRPSUSA-N 1 3 324.472 3.758 20 0 DHADHO C[C@H](N)c1ncc(-c2ccccc2)n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172111490 1033020806 /nfs/dbraw/zinc/02/08/06/1033020806.db2.gz RQQBROVDODVOKL-DZJNRPSUSA-N 1 3 324.472 3.758 20 0 DHADHO c1csc(CC[NH+]2CCC(NCc3ccccc3)CC2)c1 ZINC000852115413 1022079186 /nfs/dbraw/zinc/07/91/86/1022079186.db2.gz OZIZNKSZYZXXJO-UHFFFAOYSA-N 1 3 300.471 3.545 20 0 DHADHO CC1(C)CC([NH3+])CC(C)(C)N1[C@H]1CSc2ccccc2C1 ZINC001172184607 1033028958 /nfs/dbraw/zinc/02/89/58/1033028958.db2.gz NZMSVISMICQHDJ-OAHLLOKOSA-N 1 3 304.503 3.684 20 0 DHADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@H]1CSc2ccccc2C1 ZINC001172184607 1033028969 /nfs/dbraw/zinc/02/89/69/1033028969.db2.gz NZMSVISMICQHDJ-OAHLLOKOSA-N 1 3 304.503 3.684 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@H](C)SC)ccc1OC ZINC000183378088 1022123609 /nfs/dbraw/zinc/12/36/09/1022123609.db2.gz NMIUMGDAIJEOGD-HUUCEWRRSA-N 1 3 324.534 3.939 20 0 DHADHO C[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001205994354 1022154546 /nfs/dbraw/zinc/15/45/46/1022154546.db2.gz LCTQNNOMGDANTN-DGCLKSJQSA-N 1 3 318.358 3.651 20 0 DHADHO CO[C@@H](CN1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000659943326 1022228044 /nfs/dbraw/zinc/22/80/44/1022228044.db2.gz BGTMEDLTQUZITF-OALUTQOASA-N 1 3 308.510 3.532 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1c3ccccc3-c3ccccc31)C2 ZINC001169091808 1022255121 /nfs/dbraw/zinc/25/51/21/1022255121.db2.gz VNSVDWZURUHQOP-MUJYYYPQSA-N 1 3 304.437 3.971 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(OC3CCCC3)c1)C2 ZINC001169107083 1022267894 /nfs/dbraw/zinc/26/78/94/1022267894.db2.gz CDXCACPYCCMOOY-BCDXTJNWSA-N 1 3 314.473 3.723 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)Cc1ccccc1C(F)(F)F)C2 ZINC001169142546 1022275653 /nfs/dbraw/zinc/27/56/53/1022275653.db2.gz CUNQOOBQHKMQBN-QDMKHBRRSA-N 1 3 312.379 3.762 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)Cc1ccccc1C(F)(F)F)C2 ZINC001169142546 1022275660 /nfs/dbraw/zinc/27/56/60/1022275660.db2.gz CUNQOOBQHKMQBN-QDMKHBRRSA-N 1 3 312.379 3.762 20 0 DHADHO Cc1nc2ccc(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)cc2[nH]1 ZINC001169147167 1022277446 /nfs/dbraw/zinc/27/74/46/1022277446.db2.gz SQJDETSWRIQFEB-RDTXWAMCSA-N 1 3 300.450 3.827 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000163238813 1022345066 /nfs/dbraw/zinc/34/50/66/1022345066.db2.gz NRNZXJKSCYIPQD-JKSUJKDBSA-N 1 3 312.457 3.841 20 0 DHADHO Cc1ccccc1SC[C@H](C)C[NH+]1CCC(N(C)C)CC1 ZINC000859072853 1033062744 /nfs/dbraw/zinc/06/27/44/1033062744.db2.gz AZBTZEWWHGCXMJ-OAHLLOKOSA-N 1 3 306.519 3.749 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CCCC1 ZINC000165337631 1022977906 /nfs/dbraw/zinc/97/79/06/1022977906.db2.gz VWNGQQAMWKZPHU-HKUYNNGSSA-N 1 3 300.490 3.719 20 0 DHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@]1(C)CC1(Cl)Cl ZINC000859212767 1033100204 /nfs/dbraw/zinc/10/02/04/1033100204.db2.gz OSKAYRXBLYIHDW-OAHLLOKOSA-N 1 3 315.288 3.764 20 0 DHADHO CCc1cnccc1[C@@H](C)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000925684291 1023132417 /nfs/dbraw/zinc/13/24/17/1023132417.db2.gz GIVZJNOLCGEOAC-MRXNPFEDSA-N 1 3 303.494 3.805 20 0 DHADHO CC(C)OC1CC([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000769996839 1023259213 /nfs/dbraw/zinc/25/92/13/1023259213.db2.gz URJKNRFRANELSW-UHFFFAOYSA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)OC1CC(NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000769996839 1023259218 /nfs/dbraw/zinc/25/92/18/1023259218.db2.gz URJKNRFRANELSW-UHFFFAOYSA-N 1 3 308.510 3.577 20 0 DHADHO CC[C@H](C)OCC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001172337299 1033120786 /nfs/dbraw/zinc/12/07/86/1033120786.db2.gz PNHYTVHPRJZTII-IRXDYDNUSA-N 1 3 310.526 3.967 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)N(C)CC1CC[NH+](C)CC1 ZINC000788488631 1023892796 /nfs/dbraw/zinc/89/27/96/1023892796.db2.gz RKLBJUUNPGBGBC-ZDUSSCGKSA-N 1 3 303.475 3.631 20 0 DHADHO C[C@@H]1CCC[N@H+](CCCCN[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788529081 1023906682 /nfs/dbraw/zinc/90/66/82/1023906682.db2.gz QQILSDQXQZMIIQ-GDBMZVCRSA-N 1 3 321.896 3.824 20 0 DHADHO C[C@@H]1CCC[N@@H+](CCCCN[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788529081 1023906685 /nfs/dbraw/zinc/90/66/85/1023906685.db2.gz QQILSDQXQZMIIQ-GDBMZVCRSA-N 1 3 321.896 3.824 20 0 DHADHO CN(C)CC[C@@H]([NH2+][C@H]1CCc2ccc(Cl)nc21)C(C)(C)C ZINC000788602502 1023912168 /nfs/dbraw/zinc/91/21/68/1023912168.db2.gz BMPCMAHEXBAFJO-UONOGXRCSA-N 1 3 309.885 3.678 20 0 DHADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(O)c1 ZINC000194840313 1024016220 /nfs/dbraw/zinc/01/62/20/1024016220.db2.gz MHEJONBXNVPOLM-INIZCTEOSA-N 1 3 310.441 3.839 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(Cc3csc4ccccc34)CC[C@H]21 ZINC000538796559 1033179678 /nfs/dbraw/zinc/17/96/78/1033179678.db2.gz LGRYYXYUMPHBKW-RHSMWYFYSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(Cc3csc4ccccc34)CC[C@H]21 ZINC000538796559 1033179685 /nfs/dbraw/zinc/17/96/85/1033179685.db2.gz LGRYYXYUMPHBKW-RHSMWYFYSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](Cc3csc4ccccc34)CC[C@H]21 ZINC000538796559 1033179692 /nfs/dbraw/zinc/17/96/92/1033179692.db2.gz LGRYYXYUMPHBKW-RHSMWYFYSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](Cc3csc4ccccc34)CC[C@H]21 ZINC000538796559 1033179695 /nfs/dbraw/zinc/17/96/95/1033179695.db2.gz LGRYYXYUMPHBKW-RHSMWYFYSA-N 1 3 300.471 3.817 20 0 DHADHO Cc1cc(C)c([C@H](C)N2CCO[C@@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000662325124 1024106908 /nfs/dbraw/zinc/10/69/08/1024106908.db2.gz IILWBYDLQJUJFE-OALUTQOASA-N 1 3 318.505 3.715 20 0 DHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccc(O)cc3)CC2)C1 ZINC000268841716 1024177563 /nfs/dbraw/zinc/17/75/63/1024177563.db2.gz ZRGNBIHAYUGVAQ-QFBILLFUSA-N 1 3 316.489 3.567 20 0 DHADHO CC[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000453060198 1024309685 /nfs/dbraw/zinc/30/96/85/1024309685.db2.gz JMGJBZHGMYBMOE-SFHVURJKSA-N 1 3 318.486 3.929 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000663465458 1024399783 /nfs/dbraw/zinc/39/97/83/1024399783.db2.gz JZXQFJTVGQNGSP-GIUOSPMZSA-N 1 3 312.501 3.890 20 0 DHADHO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467700 1024414959 /nfs/dbraw/zinc/41/49/59/1024414959.db2.gz HFNYNSRXACWJFA-UXHICEINSA-N 1 3 300.490 3.719 20 0 DHADHO c1cnc2ccc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2c1 ZINC000271394110 1024498055 /nfs/dbraw/zinc/49/80/55/1024498055.db2.gz UNRVQLPSVPVPRV-GHTZIAJQSA-N 1 3 321.468 3.684 20 0 DHADHO c1cnc2ccc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2c1 ZINC000271394110 1024498061 /nfs/dbraw/zinc/49/80/61/1024498061.db2.gz UNRVQLPSVPVPRV-GHTZIAJQSA-N 1 3 321.468 3.684 20 0 DHADHO CC(C)COCC[C@@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001172467278 1033217742 /nfs/dbraw/zinc/21/77/42/1033217742.db2.gz LOXBWOBCAJZEEX-RTBURBONSA-N 1 3 322.537 3.848 20 0 DHADHO Cc1nc2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)cc2s1 ZINC000348865351 1024635728 /nfs/dbraw/zinc/63/57/28/1024635728.db2.gz DKZGCLCAXSTGNU-XYPWUTKMSA-N 1 3 315.486 3.662 20 0 DHADHO Cc1nc2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)cc2s1 ZINC000348865351 1024635737 /nfs/dbraw/zinc/63/57/37/1024635737.db2.gz DKZGCLCAXSTGNU-XYPWUTKMSA-N 1 3 315.486 3.662 20 0 DHADHO Cc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000792193260 1024645499 /nfs/dbraw/zinc/64/54/99/1024645499.db2.gz SPRVCRDMGYUUAX-UHFFFAOYSA-N 1 3 300.421 3.828 20 0 DHADHO CC[C@@H]1C[C@H](N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CCO1 ZINC001170189967 1024686200 /nfs/dbraw/zinc/68/62/00/1024686200.db2.gz CNEBPBMCXJKLTE-IAGOWNOFSA-N 1 3 322.880 3.547 20 0 DHADHO CC[C@H]1C[C@H]([NH+]2CCC(N)(c3ccccc3Cl)CC2)CCO1 ZINC001170192259 1024686580 /nfs/dbraw/zinc/68/65/80/1024686580.db2.gz KCAFTVQPKYJFQT-CABCVRRESA-N 1 3 322.880 3.547 20 0 DHADHO CC[C@H]1C[C@H](N2CCC([NH3+])(c3cccc(Cl)c3)CC2)CCO1 ZINC001170198524 1024697340 /nfs/dbraw/zinc/69/73/40/1024697340.db2.gz XOBITIMZVHDEJW-SJORKVTESA-N 1 3 322.880 3.547 20 0 DHADHO CC[C@H]1C[C@@H](N2CCC([N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC001170223695 1024710490 /nfs/dbraw/zinc/71/04/90/1024710490.db2.gz QUIBLDQBKRCKCH-PMACEKPBSA-N 1 3 316.489 3.540 20 0 DHADHO CC[C@H]1C[C@@H](N2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC001170223695 1024710502 /nfs/dbraw/zinc/71/05/02/1024710502.db2.gz QUIBLDQBKRCKCH-PMACEKPBSA-N 1 3 316.489 3.540 20 0 DHADHO CCC[NH+]1CCC(N[C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000102535319 1024732079 /nfs/dbraw/zinc/73/20/79/1024732079.db2.gz YLNDQPXITANTCS-IBGZPJMESA-N 1 3 304.478 3.856 20 0 DHADHO Cc1cc(F)ccc1[C@H](C)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000925825606 1024859049 /nfs/dbraw/zinc/85/90/49/1024859049.db2.gz ARASZOZLZUTJKT-QWHCGFSZSA-N 1 3 301.409 3.708 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000040622752 1025242643 /nfs/dbraw/zinc/24/26/43/1025242643.db2.gz JTYYTJMBLJTCTC-MXWWQKGMSA-N 1 3 306.881 3.906 20 0 DHADHO CC[NH+]1CCC(N[C@H](C)c2cccc(Br)c2)CC1 ZINC000037878810 1025393835 /nfs/dbraw/zinc/39/38/35/1025393835.db2.gz WURHWCAWFKZMEX-GFCCVEGCSA-N 1 3 311.267 3.584 20 0 DHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CC1(Cl)Cl ZINC000859995597 1033280451 /nfs/dbraw/zinc/28/04/51/1033280451.db2.gz KUBSBUPBKNNSCM-OAHLLOKOSA-N 1 3 315.288 3.764 20 0 DHADHO CO[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000885954384 1025417736 /nfs/dbraw/zinc/41/77/36/1025417736.db2.gz WPUVLBUSAPKYTP-QUCCMNQESA-N 1 3 322.537 3.968 20 0 DHADHO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660661319 1025421756 /nfs/dbraw/zinc/42/17/56/1025421756.db2.gz ZZWMIUIRKAYQMN-KDOFPFPSSA-N 1 3 324.415 3.767 20 0 DHADHO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660661319 1025421761 /nfs/dbraw/zinc/42/17/61/1025421761.db2.gz ZZWMIUIRKAYQMN-KDOFPFPSSA-N 1 3 324.415 3.767 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@H]1CCc2c1nccc2Cl ZINC000924684855 1033283651 /nfs/dbraw/zinc/28/36/51/1033283651.db2.gz GIIJJIOLTWXAFS-PBHICJAKSA-N 1 3 321.896 3.967 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@H]1CCc2c1nccc2Cl ZINC000924684855 1033283652 /nfs/dbraw/zinc/28/36/52/1033283652.db2.gz GIIJJIOLTWXAFS-PBHICJAKSA-N 1 3 321.896 3.967 20 0 DHADHO Cc1nc2c(s1)[C@H]([NH2+]C[C@H](C)CN1CCCCC1)CCC2 ZINC000125629240 1025484306 /nfs/dbraw/zinc/48/43/06/1025484306.db2.gz KROIOIZEOVQVAJ-DZGCQCFKSA-N 1 3 307.507 3.541 20 0 DHADHO CN(CCCCCCC[NH3+])Cc1csc(Br)c1 ZINC000042365961 1025487577 /nfs/dbraw/zinc/48/75/77/1025487577.db2.gz XWKQGLPRDIVULC-UHFFFAOYSA-N 1 3 319.312 3.852 20 0 DHADHO CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)s1 ZINC000125740416 1025490447 /nfs/dbraw/zinc/49/04/47/1025490447.db2.gz NKZSGUDNBOEKCI-UKRRQHHQSA-N 1 3 309.523 3.785 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1cccc(OC)c1 ZINC000125769473 1025491525 /nfs/dbraw/zinc/49/15/25/1025491525.db2.gz LLBODXPRCODXNS-VQIMIIECSA-N 1 3 304.478 3.856 20 0 DHADHO CS[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886646385 1025758198 /nfs/dbraw/zinc/75/81/98/1025758198.db2.gz HVMLQGDHLRWMON-VMXHOPILSA-N 1 3 316.514 3.523 20 0 DHADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917014 1025922165 /nfs/dbraw/zinc/92/21/65/1025922165.db2.gz JMBCJCVISJVEEP-BCDXTJNWSA-N 1 3 318.892 3.940 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(-c3cccnc3)c2)[C@@H](C)C1 ZINC000245763078 1026203683 /nfs/dbraw/zinc/20/36/83/1026203683.db2.gz QDUMJOOMASFQGJ-LAUBAEHRSA-N 1 3 323.484 3.911 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(-c3cccnc3)c2)[C@@H](C)C1 ZINC000245763078 1026203691 /nfs/dbraw/zinc/20/36/91/1026203691.db2.gz QDUMJOOMASFQGJ-LAUBAEHRSA-N 1 3 323.484 3.911 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2cccc(C)n2)CC1)CC1CC1 ZINC000357086663 1026309217 /nfs/dbraw/zinc/30/92/17/1026309217.db2.gz PCCKPWTXIJBXGD-UHFFFAOYSA-N 1 3 315.505 3.724 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2cccc(C)n2)CC1)CC1CC1 ZINC000357086663 1026309236 /nfs/dbraw/zinc/30/92/36/1026309236.db2.gz PCCKPWTXIJBXGD-UHFFFAOYSA-N 1 3 315.505 3.724 20 0 DHADHO Cc1ccc(CNCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000513488553 1026520880 /nfs/dbraw/zinc/52/08/80/1026520880.db2.gz XGCJGTUENMGUTE-AZUAARDMSA-N 1 3 323.484 3.780 20 0 DHADHO Cc1ccc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000513488553 1026520887 /nfs/dbraw/zinc/52/08/87/1026520887.db2.gz XGCJGTUENMGUTE-AZUAARDMSA-N 1 3 323.484 3.780 20 0 DHADHO Cc1ccoc1CNCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513544359 1026538382 /nfs/dbraw/zinc/53/83/82/1026538382.db2.gz HFKPNJVSRIIKFG-HKUYNNGSSA-N 1 3 312.457 3.978 20 0 DHADHO Cc1ccoc1CNCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513544359 1026538386 /nfs/dbraw/zinc/53/83/86/1026538386.db2.gz HFKPNJVSRIIKFG-HKUYNNGSSA-N 1 3 312.457 3.978 20 0 DHADHO CC(C)c1ccccc1OCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000513707748 1026754659 /nfs/dbraw/zinc/75/46/59/1026754659.db2.gz IIRLWONNXXVGHQ-IPMKNSEASA-N 1 3 316.489 3.651 20 0 DHADHO Cc1cccc(-c2c[nH]c([C@@H]3CCCN3CC[C@@H]3CC[NH2+]C3)n2)c1 ZINC000420308013 1026799792 /nfs/dbraw/zinc/79/97/92/1026799792.db2.gz CHKLIVSCERIUBK-LPHOPBHVSA-N 1 3 324.472 3.522 20 0 DHADHO CC(C)Oc1ccc(CN2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000420319214 1026802413 /nfs/dbraw/zinc/80/24/13/1026802413.db2.gz XNDQXAHUJQBGSF-CQSZACIVSA-N 1 3 310.869 3.688 20 0 DHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000420317132 1026804447 /nfs/dbraw/zinc/80/44/47/1026804447.db2.gz NGQYCAXBQPIIFW-ICSRJNTNSA-N 1 3 310.441 3.575 20 0 DHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000420317132 1026804457 /nfs/dbraw/zinc/80/44/57/1026804457.db2.gz NGQYCAXBQPIIFW-ICSRJNTNSA-N 1 3 310.441 3.575 20 0 DHADHO C[NH2+]CCCN1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000420377549 1026810190 /nfs/dbraw/zinc/81/01/90/1026810190.db2.gz SLKIWIRFZMYGOY-RTWAWAEBSA-N 1 3 324.468 3.835 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421823969 1027056102 /nfs/dbraw/zinc/05/61/02/1027056102.db2.gz GEZLQRBYQWIEKL-UONOGXRCSA-N 1 3 312.860 3.732 20 0 DHADHO COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C2CC2)c(F)c1 ZINC000421854896 1027068151 /nfs/dbraw/zinc/06/81/51/1027068151.db2.gz LKYFJWRCEUZIEV-BWMCOSIFSA-N 1 3 318.436 3.500 20 0 DHADHO CC[NH+]1CCC(CN[C@@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000924954219 1027281044 /nfs/dbraw/zinc/28/10/44/1027281044.db2.gz GAOFVAHJGVKHAZ-NRFANRHFSA-N 1 3 323.484 3.801 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1nc(C(C)(C)C)cs1 ZINC000422743545 1027309199 /nfs/dbraw/zinc/30/91/99/1027309199.db2.gz RRHSFZUVDGKZBH-CABCVRRESA-N 1 3 323.550 3.884 20 0 DHADHO Cc1cccnc1[C@H](N[C@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422749179 1027309899 /nfs/dbraw/zinc/30/98/99/1027309899.db2.gz XXEFDZYXNWEBGC-CRAIPNDOSA-N 1 3 312.461 3.600 20 0 DHADHO C(C1CCCC1)N1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000573622380 1027313140 /nfs/dbraw/zinc/31/31/40/1027313140.db2.gz RYPPCGXDNKVQIJ-UHFFFAOYSA-N 1 3 320.521 3.722 20 0 DHADHO CC[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccc(OC)cc1 ZINC000422769813 1027314129 /nfs/dbraw/zinc/31/41/29/1027314129.db2.gz UBRVIBPUMDXMGD-IFXJQAMLSA-N 1 3 313.445 3.659 20 0 DHADHO N[C@@H]1C[C@H]([NH2+]CCSCc2ccccc2F)c2ccccc21 ZINC000422773659 1027315759 /nfs/dbraw/zinc/31/57/59/1027315759.db2.gz UMCMNMSWFRYCMB-MSOLQXFVSA-N 1 3 316.445 3.793 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000422798701 1027325533 /nfs/dbraw/zinc/32/55/33/1027325533.db2.gz SLEJNHBPYUONJQ-VXGBXAGGSA-N 1 3 319.399 3.581 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])cc2)cs1 ZINC000422800910 1027326938 /nfs/dbraw/zinc/32/69/38/1027326938.db2.gz DFWAGJFIOGNPPY-AGIUHOORSA-N 1 3 303.475 3.895 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000422812935 1027332538 /nfs/dbraw/zinc/33/25/38/1027332538.db2.gz YMSOUZCJFXAMPC-CABCVRRESA-N 1 3 316.420 3.620 20 0 DHADHO Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000422879100 1027345767 /nfs/dbraw/zinc/34/57/67/1027345767.db2.gz ULDRZASENJLQPL-CHWSQXEVSA-N 1 3 301.409 3.708 20 0 DHADHO Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000422879101 1027346928 /nfs/dbraw/zinc/34/69/28/1027346928.db2.gz ULDRZASENJLQPL-OLZOCXBDSA-N 1 3 301.409 3.708 20 0 DHADHO Fc1cccc(F)c1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000422844680 1027348154 /nfs/dbraw/zinc/34/81/54/1027348154.db2.gz MROIAOARPLDEHT-YIONKMFJSA-N 1 3 320.427 3.649 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(OCc2ccccc2)cc1 ZINC000422885054 1027349830 /nfs/dbraw/zinc/34/98/30/1027349830.db2.gz TWPZNANUNNSJIF-DYESRHJHSA-N 1 3 324.468 3.743 20 0 DHADHO Cc1ccc(OCCCCN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422897141 1027355877 /nfs/dbraw/zinc/35/58/77/1027355877.db2.gz JEEBFRIYJHUIDY-PMACEKPBSA-N 1 3 310.441 3.888 20 0 DHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cc2ccccc2o1 ZINC000422924236 1027362450 /nfs/dbraw/zinc/36/24/50/1027362450.db2.gz TWCNBYFAKSIVPC-DNVCBOLYSA-N 1 3 308.425 3.523 20 0 DHADHO CC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(C)c1 ZINC000422917607 1027367811 /nfs/dbraw/zinc/36/78/11/1027367811.db2.gz FFFWGHGXPYAWRZ-RSPOEFSDSA-N 1 3 316.489 3.663 20 0 DHADHO Cc1cc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)ccc1F ZINC000422921772 1027372059 /nfs/dbraw/zinc/37/20/59/1027372059.db2.gz QXQWHDOHDNQMDW-CHWSQXEVSA-N 1 3 301.409 3.708 20 0 DHADHO C[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)Oc1ccccc1Cl ZINC000422918451 1027373996 /nfs/dbraw/zinc/37/39/96/1027373996.db2.gz IDHIUSVJLNBUGR-OAUYIBNBSA-N 1 3 316.832 3.842 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000422946427 1027375402 /nfs/dbraw/zinc/37/54/02/1027375402.db2.gz WSVZTBLZBPVSHM-DYESRHJHSA-N 1 3 324.468 3.743 20 0 DHADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000422988355 1027382290 /nfs/dbraw/zinc/38/22/90/1027382290.db2.gz IUNJSKPLKUKOBV-XPKDYRNWSA-N 1 3 312.404 3.717 20 0 DHADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2OCc2ccccc2)c2ccccc21 ZINC000422994805 1027385070 /nfs/dbraw/zinc/38/50/70/1027385070.db2.gz WIJUFHWONRERFQ-IVAOSVALSA-N 1 3 322.452 3.859 20 0 DHADHO [NH3+][C@@H]1CCC[C@H]1NCCSCc1ccc(Cl)cc1Cl ZINC000423019043 1027390749 /nfs/dbraw/zinc/39/07/49/1027390749.db2.gz SYOGHMASEOHHOY-ZIAGYGMSSA-N 1 3 319.301 3.696 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000423023306 1027393065 /nfs/dbraw/zinc/39/30/65/1027393065.db2.gz JLKSPOXGDSGGLJ-ZQGRQUNCSA-N 1 3 309.457 3.823 20 0 DHADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCO[C@H](c3ccccc3)C2)c2ccccc21 ZINC000423044046 1027401338 /nfs/dbraw/zinc/40/13/38/1027401338.db2.gz APFZYAVNNZGADR-XCLNPWKQSA-N 1 3 308.425 3.641 20 0 DHADHO COCC[C@H](N[C@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423107932 1027425637 /nfs/dbraw/zinc/42/56/37/1027425637.db2.gz QIROKCIKLLHBRV-HFAKWTLXSA-N 1 3 319.276 3.786 20 0 DHADHO Fc1ccc(CC2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1F ZINC000423053496 1027408546 /nfs/dbraw/zinc/40/85/46/1027408546.db2.gz SPSOWECCFLZATK-SJPCQFCGSA-N 1 3 320.427 3.502 20 0 DHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000423124283 1027422419 /nfs/dbraw/zinc/42/24/19/1027422419.db2.gz ODEFRPBGYWFCNQ-JYJNAYRXSA-N 1 3 314.395 3.515 20 0 DHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423124284 1027422441 /nfs/dbraw/zinc/42/24/41/1027422441.db2.gz ODEFRPBGYWFCNQ-XHSDSOJGSA-N 1 3 314.395 3.515 20 0 DHADHO N[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c2ccccc21 ZINC000423122345 1027422591 /nfs/dbraw/zinc/42/25/91/1027422591.db2.gz KJTZZGWXCZXUMM-TTYHFUOFSA-N 1 3 308.425 3.641 20 0 DHADHO CSc1ccc([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423107539 1027425325 /nfs/dbraw/zinc/42/53/25/1027425325.db2.gz SIRHYBWMBMFPCT-STQMWFEESA-N 1 3 315.486 3.982 20 0 DHADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000423130769 1027426010 /nfs/dbraw/zinc/42/60/10/1027426010.db2.gz YZOSOWWHDRABIQ-GLQYFDAESA-N 1 3 320.889 3.937 20 0 DHADHO COc1cccc([C@@H]2C[C@H]2CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423186273 1027437497 /nfs/dbraw/zinc/43/74/97/1027437497.db2.gz OEOGQSPLXHXYNJ-VVHHDAOASA-N 1 3 308.425 3.533 20 0 DHADHO COc1cccc([C@@H]2C[C@H]2CN[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423186269 1027437839 /nfs/dbraw/zinc/43/78/39/1027437839.db2.gz OEOGQSPLXHXYNJ-DSYPUSFNSA-N 1 3 308.425 3.533 20 0 DHADHO COCCC[C@@H]([NH2+]CC1(N)CCCCC1)c1ccc(F)cc1 ZINC000423174612 1027442994 /nfs/dbraw/zinc/44/29/94/1027442994.db2.gz BJJOVFWLZTZTAQ-QGZVFWFLSA-N 1 3 308.441 3.545 20 0 DHADHO CCN1CC[C@@H](C[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000574961530 1027443087 /nfs/dbraw/zinc/44/30/87/1027443087.db2.gz KHVDWRNQTKCBPQ-FDYSRKEFSA-N 1 3 300.490 3.892 20 0 DHADHO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423208751 1027444454 /nfs/dbraw/zinc/44/44/54/1027444454.db2.gz DQENLLOHPVMXIG-FTRWYGJKSA-N 1 3 309.457 3.787 20 0 DHADHO NCC[NH2+][C@@H](CCSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000423189255 1027449546 /nfs/dbraw/zinc/44/95/46/1027449546.db2.gz QTVKIROXGMRQEG-KRWDZBQOSA-N 1 3 322.424 3.737 20 0 DHADHO COc1ccc([C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C(C)C)cc1 ZINC000575147305 1027458407 /nfs/dbraw/zinc/45/84/07/1027458407.db2.gz SFXQYEUXUYSXIN-ZHALLVOQSA-N 1 3 304.478 3.855 20 0 DHADHO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C(C)C)cc1 ZINC000575147305 1027458415 /nfs/dbraw/zinc/45/84/15/1027458415.db2.gz SFXQYEUXUYSXIN-ZHALLVOQSA-N 1 3 304.478 3.855 20 0 DHADHO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1OC(F)F ZINC000295872072 1027470171 /nfs/dbraw/zinc/47/01/71/1027470171.db2.gz GHSYTOMMWCGLLT-NQKGRLOXSA-N 1 3 324.415 3.954 20 0 DHADHO C[C@H](C[NH3+])CN[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423293521 1027487012 /nfs/dbraw/zinc/48/70/12/1027487012.db2.gz ABRPCONSUZTHSH-BXUZGUMPSA-N 1 3 319.449 3.511 20 0 DHADHO C[C@@H](C[NH3+])CN[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423293528 1027487432 /nfs/dbraw/zinc/48/74/32/1027487432.db2.gz ABRPCONSUZTHSH-SMDDNHRTSA-N 1 3 319.449 3.511 20 0 DHADHO CC(C)[C@H](N)C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000423267772 1027490406 /nfs/dbraw/zinc/49/04/06/1027490406.db2.gz FVXQPPQGRGFIEM-MFKMUULPSA-N 1 3 317.296 3.535 20 0 DHADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423280696 1027492513 /nfs/dbraw/zinc/49/25/13/1027492513.db2.gz UITUEXKOARVMIN-BEFAXECRSA-N 1 3 312.457 3.996 20 0 DHADHO CC(C)[C@@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423274517 1027494344 /nfs/dbraw/zinc/49/43/44/1027494344.db2.gz MEAVOFMKNXFWQE-GJZGRUSLSA-N 1 3 315.486 3.760 20 0 DHADHO Cc1ccc(-c2nc3c(s2)[C@H](NC[C@H](C)C[NH3+])CCC3)cc1 ZINC000423296124 1027503123 /nfs/dbraw/zinc/50/31/23/1027503123.db2.gz GEURHPMRICMBOB-UKRRQHHQSA-N 1 3 315.486 3.680 20 0 DHADHO CCC[C@H]([NH2+]C[C@H](N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423323854 1027505798 /nfs/dbraw/zinc/50/57/98/1027505798.db2.gz PADBTSIMZZZPAG-GJZGRUSLSA-N 1 3 300.368 3.874 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000423362645 1027521335 /nfs/dbraw/zinc/52/13/35/1027521335.db2.gz BJTIYCJHKZRSIJ-LFVTVUPYSA-N 1 3 306.881 3.639 20 0 DHADHO C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000423365458 1027524118 /nfs/dbraw/zinc/52/41/18/1027524118.db2.gz BUDOOVHMWXKHDZ-GIUCASTKSA-N 1 3 316.489 3.693 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423391811 1027532122 /nfs/dbraw/zinc/53/21/22/1027532122.db2.gz LBKXXJAEHVDJAN-WCZJQEMASA-N 1 3 306.881 3.954 20 0 DHADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000423403113 1027538080 /nfs/dbraw/zinc/53/80/80/1027538080.db2.gz YEMHKBMVXJAZKD-UWVAXJGDSA-N 1 3 308.469 3.937 20 0 DHADHO CC[C@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423440112 1027553757 /nfs/dbraw/zinc/55/37/57/1027553757.db2.gz ANXJMHNBVNCTDA-KBPBESRZSA-N 1 3 301.459 3.514 20 0 DHADHO C[C@H](CCC[NH3+])N[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423456504 1027553965 /nfs/dbraw/zinc/55/39/65/1027553965.db2.gz NUZKNGFKVXJLAO-NEPJUHHUSA-N 1 3 307.438 3.727 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@H]1C[C@H]1C ZINC000423467509 1027558606 /nfs/dbraw/zinc/55/86/06/1027558606.db2.gz JCWYYBPIAVNNPC-KZJGEROZSA-N 1 3 304.453 3.543 20 0 DHADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1csc(-c2ccccc2)n1 ZINC000423476200 1027561649 /nfs/dbraw/zinc/56/16/49/1027561649.db2.gz IPINLEAXKPTKRD-ZBFHGGJFSA-N 1 3 315.486 3.993 20 0 DHADHO CC(F)(F)CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000296189106 1027570228 /nfs/dbraw/zinc/57/02/28/1027570228.db2.gz YKEQQFJEAWDCTQ-GVDBMIGSSA-N 1 3 308.416 3.532 20 0 DHADHO CC(F)(F)CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000296189109 1027570846 /nfs/dbraw/zinc/57/08/46/1027570846.db2.gz YKEQQFJEAWDCTQ-IXDOHACOSA-N 1 3 308.416 3.532 20 0 DHADHO C[C@@H]1[C@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000423509333 1027575565 /nfs/dbraw/zinc/57/55/65/1027575565.db2.gz JMMBOCCBBANMKM-FZHKGVQDSA-N 1 3 306.453 3.524 20 0 DHADHO C[C@H](CCc1ccsc1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423517227 1027578365 /nfs/dbraw/zinc/57/83/65/1027578365.db2.gz BHWGKVXKUFFQAK-OCUVBNDUSA-N 1 3 318.530 3.812 20 0 DHADHO C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1cc(F)cc(F)c1 ZINC000296222896 1027578385 /nfs/dbraw/zinc/57/83/85/1027578385.db2.gz BYLDTKNITNCXLI-ZDUSSCGKSA-N 1 3 310.432 3.921 20 0 DHADHO C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000423522120 1027580683 /nfs/dbraw/zinc/58/06/83/1027580683.db2.gz XKWHNXVTVPJINY-KCQAQPDRSA-N 1 3 301.459 3.588 20 0 DHADHO CC[NH+]1CCC(CN[C@H]2CCCOc3cc(F)cc(F)c32)CC1 ZINC000576198799 1027581487 /nfs/dbraw/zinc/58/14/87/1027581487.db2.gz XQYGKSFWOLYYGZ-INIZCTEOSA-N 1 3 324.415 3.500 20 0 DHADHO CC[NH+]1CCC(CN[C@@H]2CCCOc3cc(F)cc(F)c32)CC1 ZINC000576198800 1027582971 /nfs/dbraw/zinc/58/29/71/1027582971.db2.gz XQYGKSFWOLYYGZ-MRXNPFEDSA-N 1 3 324.415 3.500 20 0 DHADHO Cc1sccc1C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000562768359 1027594722 /nfs/dbraw/zinc/59/47/22/1027594722.db2.gz KSSDLNVGINTOQR-SFHVURJKSA-N 1 3 314.498 3.711 20 0 DHADHO Cc1cc(CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccn1 ZINC000527641335 1027799531 /nfs/dbraw/zinc/79/95/31/1027799531.db2.gz SXPLMVAGKTYAJP-QGZVFWFLSA-N 1 3 323.484 3.912 20 0 DHADHO Cc1cc(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccn1 ZINC000527641335 1027799551 /nfs/dbraw/zinc/79/95/51/1027799551.db2.gz SXPLMVAGKTYAJP-QGZVFWFLSA-N 1 3 323.484 3.912 20 0 DHADHO C[N@H+](CCCNC1CC(c2ccccn2)C1)C1CCCCC1 ZINC000367302632 1028163068 /nfs/dbraw/zinc/16/30/68/1028163068.db2.gz VRIYCTDVGMCGEV-UHFFFAOYSA-N 1 3 301.478 3.572 20 0 DHADHO C[N@@H+](CCCNC1CC(c2ccccn2)C1)C1CCCCC1 ZINC000367302632 1028163078 /nfs/dbraw/zinc/16/30/78/1028163078.db2.gz VRIYCTDVGMCGEV-UHFFFAOYSA-N 1 3 301.478 3.572 20 0 DHADHO C[NH+](C)CCCN[C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000579626720 1028452987 /nfs/dbraw/zinc/45/29/87/1028452987.db2.gz GVOXGEDFJDLROU-IBGZPJMESA-N 1 3 300.421 3.651 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCCc2ccc(OC(F)F)cc2)c2ccccc21 ZINC000564823892 1028507611 /nfs/dbraw/zinc/50/76/11/1028507611.db2.gz NGWWFECOYHIUOC-IAGOWNOFSA-N 1 3 318.367 3.565 20 0 DHADHO COc1cccc2c(C[N@@H+]3CCCC34CCN(C)CC4)cccc12 ZINC000449263172 1028513641 /nfs/dbraw/zinc/51/36/41/1028513641.db2.gz HGMQICVZORAXDP-UHFFFAOYSA-N 1 3 324.468 3.909 20 0 DHADHO COc1cccc2c(C[N@H+]3CCCC34CCN(C)CC4)cccc12 ZINC000449263172 1028513651 /nfs/dbraw/zinc/51/36/51/1028513651.db2.gz HGMQICVZORAXDP-UHFFFAOYSA-N 1 3 324.468 3.909 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCOC(F)F)CC1 ZINC000449307167 1028527182 /nfs/dbraw/zinc/52/71/82/1028527182.db2.gz ONENNEPDCRUZEY-UHFFFAOYSA-N 1 3 320.468 3.885 20 0 DHADHO COc1cccc2c(C[N@@H+]3CCC[C@H]4CN(C)CC[C@@H]43)cccc12 ZINC000449330654 1028539208 /nfs/dbraw/zinc/53/92/08/1028539208.db2.gz LZIXOMDZFNSOLQ-PXNSSMCTSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(C[N@H+]3CCC[C@H]4CN(C)CC[C@@H]43)cccc12 ZINC000449330654 1028539217 /nfs/dbraw/zinc/53/92/17/1028539217.db2.gz LZIXOMDZFNSOLQ-PXNSSMCTSA-N 1 3 324.468 3.765 20 0 DHADHO CC(F)(F)CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449348197 1028561887 /nfs/dbraw/zinc/56/18/87/1028561887.db2.gz BNJKUYPILCFBAN-RCCFBDPRSA-N 1 3 322.443 3.922 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC[C@H](C)F)ccc1OC ZINC000815645492 1028589777 /nfs/dbraw/zinc/58/97/77/1028589777.db2.gz HNHMWDWZKARDRS-GJZGRUSLSA-N 1 3 310.457 3.936 20 0 DHADHO CC[C@H](C)[C@H](CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)OC ZINC000449402074 1028621178 /nfs/dbraw/zinc/62/11/78/1028621178.db2.gz JOPGKTVWJKATIP-CAMMJAKZSA-N 1 3 310.526 3.680 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC000371109055 1028670515 /nfs/dbraw/zinc/67/05/15/1028670515.db2.gz UKRFJDALTKKVIF-VQTJNVASSA-N 1 3 316.489 3.542 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC000371109055 1028670519 /nfs/dbraw/zinc/67/05/19/1028670519.db2.gz UKRFJDALTKKVIF-VQTJNVASSA-N 1 3 316.489 3.542 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC000371109057 1028671767 /nfs/dbraw/zinc/67/17/67/1028671767.db2.gz UKRFJDALTKKVIF-WOJBJXKFSA-N 1 3 316.489 3.542 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC000371109057 1028671773 /nfs/dbraw/zinc/67/17/73/1028671773.db2.gz UKRFJDALTKKVIF-WOJBJXKFSA-N 1 3 316.489 3.542 20 0 DHADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cccc2ccccc21 ZINC000371299718 1028686446 /nfs/dbraw/zinc/68/64/46/1028686446.db2.gz JTWLPKKHKQDDFJ-NRSPTQNISA-N 1 3 324.468 3.523 20 0 DHADHO CSc1ccccc1C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371686096 1028746231 /nfs/dbraw/zinc/74/62/31/1028746231.db2.gz RBTCIUVOJLLMPR-BHYGNILZSA-N 1 3 304.503 3.556 20 0 DHADHO CSc1ccccc1C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371686096 1028746235 /nfs/dbraw/zinc/74/62/35/1028746235.db2.gz RBTCIUVOJLLMPR-BHYGNILZSA-N 1 3 304.503 3.556 20 0 DHADHO C[C@H](CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000566810521 1028787528 /nfs/dbraw/zinc/78/75/28/1028787528.db2.gz DQFVRTHCHICJDB-VHDGCEQUSA-N 1 3 300.368 3.610 20 0 DHADHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000566810521 1028787541 /nfs/dbraw/zinc/78/75/41/1028787541.db2.gz DQFVRTHCHICJDB-VHDGCEQUSA-N 1 3 300.368 3.610 20 0 DHADHO CCO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449756587 1028978406 /nfs/dbraw/zinc/97/84/06/1028978406.db2.gz BMFGVTVYEYFVDG-MTFMMBMASA-N 1 3 322.537 3.967 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000568131963 1029011888 /nfs/dbraw/zinc/01/18/88/1029011888.db2.gz ZWMJBWZANFPISJ-JYBIWHBTSA-N 1 3 300.490 3.889 20 0 DHADHO [NH3+]C[C@H]1CC[C@@H](NCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000569199922 1029193754 /nfs/dbraw/zinc/19/37/54/1029193754.db2.gz ARCXAJZKJHPTQT-SMDDNHRTSA-N 1 3 321.877 3.681 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000817905767 1029273655 /nfs/dbraw/zinc/27/36/55/1029273655.db2.gz SUAQWYKSUSKYMN-PDWMJMLSSA-N 1 3 322.468 3.538 20 0 DHADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1nccc2ccccc21 ZINC000817947872 1029288613 /nfs/dbraw/zinc/28/86/13/1029288613.db2.gz DGNFGYWNGOOTHS-HNNXBMFYSA-N 1 3 305.425 3.587 20 0 DHADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(F)c(Cl)c1 ZINC000817947707 1029288959 /nfs/dbraw/zinc/28/89/59/1029288959.db2.gz FYBIIXFCKILYHZ-LBPRGKRZSA-N 1 3 306.812 3.831 20 0 DHADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817960644 1029299941 /nfs/dbraw/zinc/29/99/41/1029299941.db2.gz OVZAAFHFNPLQOW-BHDSKKPTSA-N 1 3 316.276 3.744 20 0 DHADHO Cc1ccc(C(C)(C)CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)nc1 ZINC000629525491 1029357403 /nfs/dbraw/zinc/35/74/03/1029357403.db2.gz ZMRVYFQZCLJRHQ-IRXDYDNUSA-N 1 3 303.494 3.568 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000629546097 1029363555 /nfs/dbraw/zinc/36/35/55/1029363555.db2.gz FRKBSBPJKQKTJZ-USBNGQNGSA-N 1 3 305.853 3.914 20 0 DHADHO FC(F)(F)C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000629551597 1029367268 /nfs/dbraw/zinc/36/72/68/1029367268.db2.gz WERNXZJYPSTNFJ-BFHYXJOUSA-N 1 3 304.400 3.619 20 0 DHADHO C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)COCc1ccccc1 ZINC000389923407 1029436820 /nfs/dbraw/zinc/43/68/20/1029436820.db2.gz UETYWGFBUGAJAP-XPGWFJOJSA-N 1 3 310.441 3.574 20 0 DHADHO C[C@H](N[C@H](CCO)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000820811784 1029768651 /nfs/dbraw/zinc/76/86/51/1029768651.db2.gz WDCUNDQZARJKGO-OXJNMPFZSA-N 1 3 312.457 3.523 20 0 DHADHO Cc1[nH]c2ccc(F)cc2c1CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000530218529 1029780001 /nfs/dbraw/zinc/78/00/01/1029780001.db2.gz GQTIDHIMRZCFFB-UYAOXDASSA-N 1 3 323.415 3.892 20 0 DHADHO CC[C@@H]1C[C@H](NCCc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246157279 1029945199 /nfs/dbraw/zinc/94/51/99/1029945199.db2.gz FQTXXEVZPGKYQW-ZIAGYGMSSA-N 1 3 301.261 3.656 20 0 DHADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1ccc2[nH]cnc2c1 ZINC000530953230 1030100868 /nfs/dbraw/zinc/10/08/68/1030100868.db2.gz SCALAKCFNTXIKI-IAGOWNOFSA-N 1 3 314.477 3.553 20 0 DHADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1ccc2nc[nH]c2c1 ZINC000530953230 1030100870 /nfs/dbraw/zinc/10/08/70/1030100870.db2.gz SCALAKCFNTXIKI-IAGOWNOFSA-N 1 3 314.477 3.553 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cc(Cl)cc2cccnc21 ZINC000290622176 1030128849 /nfs/dbraw/zinc/12/88/49/1030128849.db2.gz XHLXJKCWYHCZHJ-SUMWQHHRSA-N 1 3 317.864 3.660 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc(Cl)cc2cccnc21 ZINC000290622176 1030128855 /nfs/dbraw/zinc/12/88/55/1030128855.db2.gz XHLXJKCWYHCZHJ-SUMWQHHRSA-N 1 3 317.864 3.660 20 0 DHADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCCC2 ZINC000151984012 1030371977 /nfs/dbraw/zinc/37/19/77/1030371977.db2.gz RAPLSSQJHILHLA-MOPGFXCFSA-N 1 3 320.521 3.721 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000925492427 1030374082 /nfs/dbraw/zinc/37/40/82/1030374082.db2.gz IPAAGLKWDFBYBS-IEBWSBKVSA-N 1 3 310.526 3.538 20 0 DHADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925536709 1030393332 /nfs/dbraw/zinc/39/33/32/1030393332.db2.gz QPIYARMKYNPYTN-FXUDXRNXSA-N 1 3 318.427 3.865 20 0 DHADHO [NH3+]CCC[C@H](N[C@H]1CCOc2ccc(F)cc21)c1ccccc1 ZINC000925645871 1030431963 /nfs/dbraw/zinc/43/19/63/1030431963.db2.gz UHOHLHBTTRFSEL-ROUUACIJSA-N 1 3 314.404 3.719 20 0 DHADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC(F)(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925652001 1030440035 /nfs/dbraw/zinc/44/00/35/1030440035.db2.gz ABRSWIYFHGHWPI-NBRJZWSHSA-N 1 3 322.855 3.786 20 0 DHADHO c1ccc2c(c1)SC[C@@H]2C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925678408 1030451596 /nfs/dbraw/zinc/45/15/96/1030451596.db2.gz DSTIHOKVVGZWJY-JQHSSLGASA-N 1 3 316.514 3.634 20 0 DHADHO CC[C@H](C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)CC(F)(F)F ZINC000925700180 1030457324 /nfs/dbraw/zinc/45/73/24/1030457324.db2.gz ZYARTAHEKQRGCO-AEGPPILISA-N 1 3 306.416 3.723 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(C(F)(F)F)cc1 ZINC000925781147 1030495964 /nfs/dbraw/zinc/49/59/64/1030495964.db2.gz XBYPQUQGCJPOML-MFKMUULPSA-N 1 3 322.321 3.601 20 0 DHADHO [NH3+]CCC[C@H](NCc1nccc2c1CCCC2)c1ccccc1 ZINC000925805994 1030503834 /nfs/dbraw/zinc/50/38/34/1030503834.db2.gz NMZODTVLFDCTDT-IBGZPJMESA-N 1 3 309.457 3.530 20 0 DHADHO CN(Cc1cc2cccnc2o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000824383748 1030544082 /nfs/dbraw/zinc/54/40/82/1030544082.db2.gz UPJBITCXQUTHCV-UHFFFAOYSA-N 1 3 309.413 3.521 20 0 DHADHO CCN(CCC[NH+](C)C)Cc1ccc(OC)c2ccccc12 ZINC000558421396 1030571766 /nfs/dbraw/zinc/57/17/66/1030571766.db2.gz BYHAFEYBGCYFAL-UHFFFAOYSA-N 1 3 300.446 3.622 20 0 DHADHO CCC[N@H+](CCCN)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063661 1030624235 /nfs/dbraw/zinc/62/42/35/1030624235.db2.gz OAQLKLIDBKCNHL-AWEZNQCLSA-N 1 3 315.288 3.912 20 0 DHADHO CCC[N@@H+](CCCN)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063661 1030624239 /nfs/dbraw/zinc/62/42/39/1030624239.db2.gz OAQLKLIDBKCNHL-AWEZNQCLSA-N 1 3 315.288 3.912 20 0 DHADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000926371088 1030715804 /nfs/dbraw/zinc/71/58/04/1030715804.db2.gz IOBHXYCPJCYEQC-BCDXTJNWSA-N 1 3 310.526 3.680 20 0 DHADHO CC(C)CCN1CCC([NH2+]CCC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000926371090 1030716870 /nfs/dbraw/zinc/71/68/70/1030716870.db2.gz IOBHXYCPJCYEQC-IAGOWNOFSA-N 1 3 310.526 3.680 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C12CCC2 ZINC000248409668 1030743775 /nfs/dbraw/zinc/74/37/75/1030743775.db2.gz XCTLADPRJCRXPL-PBWTXFEYSA-N 1 3 320.521 3.577 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000248887253 1030774429 /nfs/dbraw/zinc/77/44/29/1030774429.db2.gz MNJUDTGFVOSZBU-APWZRJJASA-N 1 3 301.478 3.643 20 0 DHADHO Cc1cc2c(cc1C)[C@@H]([NH2+]CC(C)(C)CN(C)C)CCCO2 ZINC000359359078 1030923141 /nfs/dbraw/zinc/92/31/41/1030923141.db2.gz BGPBKJNEJAXTAZ-KRWDZBQOSA-N 1 3 304.478 3.695 20 0 DHADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000360035659 1031251334 /nfs/dbraw/zinc/25/13/34/1031251334.db2.gz BOHPJMQKODLIEJ-IAGOWNOFSA-N 1 3 321.468 3.884 20 0 DHADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000360035659 1031251346 /nfs/dbraw/zinc/25/13/46/1031251346.db2.gz BOHPJMQKODLIEJ-IAGOWNOFSA-N 1 3 321.468 3.884 20 0 DHADHO CCC[N@H+](CCCN)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139688 1031253550 /nfs/dbraw/zinc/25/35/50/1031253550.db2.gz POFURIBDASQFEO-CQSZACIVSA-N 1 3 315.288 3.912 20 0 DHADHO CCC[N@@H+](CCCN)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139688 1031253561 /nfs/dbraw/zinc/25/35/61/1031253561.db2.gz POFURIBDASQFEO-CQSZACIVSA-N 1 3 315.288 3.912 20 0 DHADHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1cccc(OC)c1 ZINC000360147573 1031295527 /nfs/dbraw/zinc/29/55/27/1031295527.db2.gz HAQFGPGHYNDCKC-QFBILLFUSA-N 1 3 304.478 3.858 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000872059427 1031452071 /nfs/dbraw/zinc/45/20/71/1031452071.db2.gz DPZBYPRXNIKMTC-RCCFBDPRSA-N 1 3 320.521 3.721 20 0 DHADHO Cc1cc(C)cc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000536855404 1031456965 /nfs/dbraw/zinc/45/69/65/1031456965.db2.gz AFNUXUHUQKTUQT-CEXWTWQISA-N 1 3 318.505 3.843 20 0 DHADHO COc1ccc([C@H](NC[C@@H](C)C[NH+]2CCCC2)C(C)C)cc1 ZINC000536949079 1031480454 /nfs/dbraw/zinc/48/04/54/1031480454.db2.gz LNEADWRKLZFDSU-VQIMIIECSA-N 1 3 304.478 3.714 20 0 DHADHO CCC[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000537203210 1031538069 /nfs/dbraw/zinc/53/80/69/1031538069.db2.gz QXYHZVGJQHVYLH-VAMGGRTRSA-N 1 3 300.490 3.986 20 0 DHADHO CCC[C@H](C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000537203210 1031538075 /nfs/dbraw/zinc/53/80/75/1031538075.db2.gz QXYHZVGJQHVYLH-VAMGGRTRSA-N 1 3 300.490 3.986 20 0 DHADHO COc1ccc2oc([C@@H](C)NCC3=CC[N@H+](C)CC3)c(C)c2c1 ZINC000537309256 1031565061 /nfs/dbraw/zinc/56/50/61/1031565061.db2.gz ZZLGRWOOWFMCPB-CQSZACIVSA-N 1 3 314.429 3.662 20 0 DHADHO COc1ccc2oc([C@@H](C)NCC3=CC[N@@H+](C)CC3)c(C)c2c1 ZINC000537309256 1031565077 /nfs/dbraw/zinc/56/50/77/1031565077.db2.gz ZZLGRWOOWFMCPB-CQSZACIVSA-N 1 3 314.429 3.662 20 0 DHADHO Clc1nccc(CNCCCCC[NH+]2CCCC2)c1Cl ZINC000293768310 1031612498 /nfs/dbraw/zinc/61/24/98/1031612498.db2.gz YHYACWUECQFYEK-UHFFFAOYSA-N 1 3 316.276 3.744 20 0 DHADHO FCc1ccccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930059917 1031688889 /nfs/dbraw/zinc/68/88/89/1031688889.db2.gz FIDAHEQMIYXUIP-MJGOQNOKSA-N 1 3 302.437 3.605 20 0 DHADHO FCc1ccccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000930059917 1031688894 /nfs/dbraw/zinc/68/88/94/1031688894.db2.gz FIDAHEQMIYXUIP-MJGOQNOKSA-N 1 3 302.437 3.605 20 0 DHADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CCC2 ZINC000361061656 1031702855 /nfs/dbraw/zinc/70/28/55/1031702855.db2.gz UJXRENRPKLOBDL-UZLBHIALSA-N 1 3 316.489 3.783 20 0 DHADHO COc1ccc(C[N@H+](CCCN2CCCCC2)C2CC2)cc1 ZINC000361268236 1031824094 /nfs/dbraw/zinc/82/40/94/1031824094.db2.gz UTJGGXLRRSSRMM-UHFFFAOYSA-N 1 3 302.462 3.536 20 0 DHADHO COc1ccc(C[N@@H+](CCCN2CCCCC2)C2CC2)cc1 ZINC000361268236 1031824115 /nfs/dbraw/zinc/82/41/15/1031824115.db2.gz UTJGGXLRRSSRMM-UHFFFAOYSA-N 1 3 302.462 3.536 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCOC23CCCC3)CC1 ZINC000898111192 1031950386 /nfs/dbraw/zinc/95/03/86/1031950386.db2.gz INFOHKNLCNIYRK-NEWSRXKRSA-N 1 3 320.521 3.721 20 0 DHADHO Cc1ncccc1CCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000898255490 1032003212 /nfs/dbraw/zinc/00/32/12/1032003212.db2.gz KEEGNFPFBDRFDR-JXFKEZNVSA-N 1 3 315.505 3.565 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172709171 1033344306 /nfs/dbraw/zinc/34/43/06/1033344306.db2.gz UCJPBCLQTHBCIM-KHYOSLBOSA-N 1 3 320.908 3.765 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172709171 1033344320 /nfs/dbraw/zinc/34/43/20/1033344320.db2.gz UCJPBCLQTHBCIM-KHYOSLBOSA-N 1 3 320.908 3.765 20 0 DHADHO CC(C)(C[NH2+]C1CC(c2ccccc2F)C1)CN1CCCC1 ZINC000477938079 1033373526 /nfs/dbraw/zinc/37/35/26/1033373526.db2.gz BWQYQRFZZLSNTO-UHFFFAOYSA-N 1 3 304.453 3.783 20 0 DHADHO Cc1ccc2c(c1)C[C@H]([NH+]1C(C)(C)CC(N)CC1(C)C)CC2 ZINC001172835963 1033398706 /nfs/dbraw/zinc/39/87/06/1033398706.db2.gz RCQWDIPQANFSBJ-GOSISDBHSA-N 1 3 300.490 3.833 20 0 DHADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CC(C(F)(F)F)C3)CC2)C1 ZINC000554140044 1033985734 /nfs/dbraw/zinc/98/57/34/1033985734.db2.gz QONXJQXXCLKLIR-ADNDVJRGSA-N 1 3 318.427 3.960 20 0 DHADHO COc1ccc([C@@H](C)NCCCC[NH+]2CCC(C)CC2)c(F)c1 ZINC000480613564 1034343679 /nfs/dbraw/zinc/34/36/79/1034343679.db2.gz RMOYBKFXTUCMTQ-MRXNPFEDSA-N 1 3 322.468 3.997 20 0 DHADHO Cc1cncc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000184262532 1034457394 /nfs/dbraw/zinc/45/73/94/1034457394.db2.gz FOYRKPKMPRPDNI-QGZVFWFLSA-N 1 3 309.457 3.837 20 0 DHADHO Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000184341722 1034465718 /nfs/dbraw/zinc/46/57/18/1034465718.db2.gz QWSOOHTVLBKQGO-ICSRJNTNSA-N 1 3 323.484 3.605 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000481032217 1034556211 /nfs/dbraw/zinc/55/62/11/1034556211.db2.gz DLXWKUSJZXMUMO-SPYBWZPUSA-N 1 3 304.453 3.771 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000481032217 1034556214 /nfs/dbraw/zinc/55/62/14/1034556214.db2.gz DLXWKUSJZXMUMO-SPYBWZPUSA-N 1 3 304.453 3.771 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)C1 ZINC000481024493 1034558907 /nfs/dbraw/zinc/55/89/07/1034558907.db2.gz OUEIZHRNTDOOGS-QUCCMNQESA-N 1 3 300.490 3.638 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000555204819 1034561075 /nfs/dbraw/zinc/56/10/75/1034561075.db2.gz DVZYZSIDABDMRN-HXUWFJFHSA-N 1 3 309.457 3.774 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000555204819 1034561082 /nfs/dbraw/zinc/56/10/82/1034561082.db2.gz DVZYZSIDABDMRN-HXUWFJFHSA-N 1 3 309.457 3.774 20 0 DHADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000186566858 1034643645 /nfs/dbraw/zinc/64/36/45/1034643645.db2.gz SIZAMPUNZBOACM-ZIAGYGMSSA-N 1 3 324.871 3.973 20 0 DHADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000186566858 1034643649 /nfs/dbraw/zinc/64/36/49/1034643649.db2.gz SIZAMPUNZBOACM-ZIAGYGMSSA-N 1 3 324.871 3.973 20 0 DHADHO Clc1ccccc1C1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000157393164 1034878506 /nfs/dbraw/zinc/87/85/06/1034878506.db2.gz LXQBBCMQFDVRLK-GYTBAZASSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccccc1C1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157393164 1034878514 /nfs/dbraw/zinc/87/85/14/1034878514.db2.gz LXQBBCMQFDVRLK-GYTBAZASSA-N 1 3 304.865 3.802 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)[C@H](C)C1 ZINC000482003810 1035042313 /nfs/dbraw/zinc/04/23/13/1035042313.db2.gz VSFSBMGZQPECAS-UZLBHIALSA-N 1 3 313.489 3.947 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)[C@H](C)C1 ZINC000482003810 1035042320 /nfs/dbraw/zinc/04/23/20/1035042320.db2.gz VSFSBMGZQPECAS-UZLBHIALSA-N 1 3 313.489 3.947 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000482314676 1035083640 /nfs/dbraw/zinc/08/36/40/1035083640.db2.gz FFWCMJGUBRCNQR-ZRGWGRIASA-N 1 3 304.453 3.769 20 0 DHADHO COc1ccc2c(c1)[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000483186440 1035239971 /nfs/dbraw/zinc/23/99/71/1035239971.db2.gz QGSUDRNXDUENLD-ROUUACIJSA-N 1 3 304.478 3.639 20 0 DHADHO Cc1cccc(C[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)C2CC2)c1 ZINC000484476211 1035344491 /nfs/dbraw/zinc/34/44/91/1035344491.db2.gz VAQMQPZKZHIQLW-ZCNNSNEGSA-N 1 3 300.490 3.779 20 0 DHADHO CCCN1CCN(c2ccccc2C[NH2+]CCC(C)(C)C)CC1 ZINC001177231147 1035358479 /nfs/dbraw/zinc/35/84/79/1035358479.db2.gz CNAQYAUDDYZTLF-UHFFFAOYSA-N 1 3 317.521 3.744 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)C[C@H](C)O3)c1 ZINC001177736909 1035389943 /nfs/dbraw/zinc/38/99/43/1035389943.db2.gz FUYBTMPCSUHQEA-INIZCTEOSA-N 1 3 324.468 3.752 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)C[C@H](C)O3)c1 ZINC001177736909 1035389947 /nfs/dbraw/zinc/38/99/47/1035389947.db2.gz FUYBTMPCSUHQEA-INIZCTEOSA-N 1 3 324.468 3.752 20 0 DHADHO COc1ccccc1[C@@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904384317 1035409513 /nfs/dbraw/zinc/40/95/13/1035409513.db2.gz INWGHZWNHUPVHJ-YLJYHZDGSA-N 1 3 316.489 3.654 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1F ZINC000195136508 1035414945 /nfs/dbraw/zinc/41/49/45/1035414945.db2.gz KMXUWZMCENHLDT-FUHWJXTLSA-N 1 3 312.432 3.998 20 0 DHADHO C[C@@H]1NCCO[C@H]1c1ccc(-c2ccc(C[NH+](C)C)s2)cc1 ZINC000904859228 1035461393 /nfs/dbraw/zinc/46/13/93/1035461393.db2.gz NSYYSFATYJCGQR-SCLBCKFNSA-N 1 3 316.470 3.526 20 0 DHADHO CCCOc1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c(C)c1 ZINC001204249059 1035484356 /nfs/dbraw/zinc/48/43/56/1035484356.db2.gz LQKWYQIIPAANBI-PXNSSMCTSA-N 1 3 318.505 3.946 20 0 DHADHO CCCOc1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c(C)c1 ZINC001204249059 1035484357 /nfs/dbraw/zinc/48/43/57/1035484357.db2.gz LQKWYQIIPAANBI-PXNSSMCTSA-N 1 3 318.505 3.946 20 0 DHADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001179830332 1035510256 /nfs/dbraw/zinc/51/02/56/1035510256.db2.gz OWMCWPXKEWUCJU-FUHWJXTLSA-N 1 3 318.505 3.653 20 0 DHADHO C[C@H]1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205617742 1035534069 /nfs/dbraw/zinc/53/40/69/1035534069.db2.gz NBBDUCRTCUYHBH-AAEUAGOBSA-N 1 3 318.358 3.651 20 0 DHADHO COc1ccc([C@@H]([NH2+]CC[C@@H]2CCCCN2C)C2CC2)cc1 ZINC000539494041 1035744087 /nfs/dbraw/zinc/74/40/87/1035744087.db2.gz VYULHQQATHCGJL-HKUYNNGSSA-N 1 3 302.462 3.610 20 0 DHADHO COc1ccc([C@@H](NCC[C@@H]2CCCC[N@@H+]2C)C2CC2)cc1 ZINC000539494041 1035744100 /nfs/dbraw/zinc/74/41/00/1035744100.db2.gz VYULHQQATHCGJL-HKUYNNGSSA-N 1 3 302.462 3.610 20 0 DHADHO COc1ccc([C@@H](NCC[C@@H]2CCCC[N@H+]2C)C2CC2)cc1 ZINC000539494041 1035744110 /nfs/dbraw/zinc/74/41/10/1035744110.db2.gz VYULHQQATHCGJL-HKUYNNGSSA-N 1 3 302.462 3.610 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C12CCCCC2 ZINC000539497467 1035754773 /nfs/dbraw/zinc/75/47/73/1035754773.db2.gz XLCYPFDXRHFICT-GBESFXJTSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H](CC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)N1CCCCC1 ZINC001180812435 1035768097 /nfs/dbraw/zinc/76/80/97/1035768097.db2.gz ZTVSRQPRKNGLMU-BRWVUGGUSA-N 1 3 310.526 3.823 20 0 DHADHO CCN(CC)CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001194133001 1035837713 /nfs/dbraw/zinc/83/77/13/1035837713.db2.gz OFFKAFROYSQKOH-AQNXPRMDSA-N 1 3 300.490 3.986 20 0 DHADHO CCN(CC)CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001194133001 1035837734 /nfs/dbraw/zinc/83/77/34/1035837734.db2.gz OFFKAFROYSQKOH-AQNXPRMDSA-N 1 3 300.490 3.986 20 0 DHADHO CC(C)Oc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1 ZINC000540363050 1036049861 /nfs/dbraw/zinc/04/98/61/1036049861.db2.gz MSSVHFVNQYSAFX-AEFFLSMTSA-N 1 3 304.478 3.999 20 0 DHADHO Clc1ccccc1C1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250194070 1036251863 /nfs/dbraw/zinc/25/18/63/1036251863.db2.gz LXQBBCMQFDVRLK-KNIAUWFNSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccccc1C1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250194070 1036251877 /nfs/dbraw/zinc/25/18/77/1036251877.db2.gz LXQBBCMQFDVRLK-KNIAUWFNSA-N 1 3 304.865 3.802 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774442974 1036332511 /nfs/dbraw/zinc/33/25/11/1036332511.db2.gz YMWOHPLNMIIVTE-JFGNBEQYSA-N 1 3 316.276 3.709 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774442974 1036332533 /nfs/dbraw/zinc/33/25/33/1036332533.db2.gz YMWOHPLNMIIVTE-JFGNBEQYSA-N 1 3 316.276 3.709 20 0 DHADHO COc1ccc(CN2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c(C)c1 ZINC001183064999 1036517139 /nfs/dbraw/zinc/51/71/39/1036517139.db2.gz CEHFLEPDHTZJDN-LPHOPBHVSA-N 1 3 304.478 3.556 20 0 DHADHO CCC1([NH+](C)C)CCN(CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC001196683626 1036585565 /nfs/dbraw/zinc/58/55/65/1036585565.db2.gz GWCWUMXCVBWVLI-KRWDZBQOSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H]1CN(Cc2ccc(C3CC3)cc2)CCN1c1cc[nH+]cc1 ZINC001183532604 1036623418 /nfs/dbraw/zinc/62/34/18/1036623418.db2.gz FGGQESWQYWWZTI-MRXNPFEDSA-N 1 3 307.441 3.670 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000495413362 1036626073 /nfs/dbraw/zinc/62/60/73/1036626073.db2.gz DUFPQQCGSHOYJX-KBAYOESNSA-N 1 3 322.537 3.965 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000495413362 1036626083 /nfs/dbraw/zinc/62/60/83/1036626083.db2.gz DUFPQQCGSHOYJX-KBAYOESNSA-N 1 3 322.537 3.965 20 0 DHADHO CCN(CC)CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1ccccc1 ZINC001184339702 1036818658 /nfs/dbraw/zinc/81/86/58/1036818658.db2.gz RTUCSZKEIXIPSG-BJLQDIEVSA-N 1 3 318.505 3.864 20 0 DHADHO C[C@@H](C[NH2+]C[C@H]1CCCN(CC2CC2)C1)Cc1ccccc1 ZINC000668818308 1036823918 /nfs/dbraw/zinc/82/39/18/1036823918.db2.gz GIUKJKXHEZKGKR-YLJYHZDGSA-N 1 3 300.490 3.577 20 0 DHADHO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000492425397 1036870438 /nfs/dbraw/zinc/87/04/38/1036870438.db2.gz ROWHVHBQBDGMFE-OFQRWUPVSA-N 1 3 314.395 3.685 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000237674379 1037022137 /nfs/dbraw/zinc/02/21/37/1037022137.db2.gz HCZKCYKMQCLJTC-LSJNQWAISA-N 1 3 304.453 3.926 20 0 DHADHO ClC1(Cl)C[C@@H]1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000915714405 1037150943 /nfs/dbraw/zinc/15/09/43/1037150943.db2.gz CRMSCFDUZHGLIF-OAHLLOKOSA-N 1 3 319.320 3.768 20 0 DHADHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000309715501 1037172161 /nfs/dbraw/zinc/17/21/61/1037172161.db2.gz LPMOEBLOYZBESF-RXVVDRJESA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000309715501 1037172167 /nfs/dbraw/zinc/17/21/67/1037172167.db2.gz LPMOEBLOYZBESF-RXVVDRJESA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000309715501 1037172173 /nfs/dbraw/zinc/17/21/73/1037172173.db2.gz LPMOEBLOYZBESF-RXVVDRJESA-N 1 3 308.469 3.995 20 0 DHADHO Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000309786039 1037178879 /nfs/dbraw/zinc/17/88/79/1037178879.db2.gz MXFVISSASPJUEK-GHTZIAJQSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1cccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309786039 1037178885 /nfs/dbraw/zinc/17/88/85/1037178885.db2.gz MXFVISSASPJUEK-GHTZIAJQSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1cccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309786039 1037178891 /nfs/dbraw/zinc/17/88/91/1037178891.db2.gz MXFVISSASPJUEK-GHTZIAJQSA-N 1 3 308.469 3.995 20 0 DHADHO C[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C(C)(C)C ZINC000670266918 1037488599 /nfs/dbraw/zinc/48/85/99/1037488599.db2.gz HDTNDRPNXRTNLB-PKOBYXMFSA-N 1 3 302.506 3.823 20 0 DHADHO c1ccc(CN2CC3(C2)CC[NH+](C[C@@H]2CC=CCC2)CC3)cc1 ZINC001201421362 1037661830 /nfs/dbraw/zinc/66/18/30/1037661830.db2.gz AXJOAKUJSKTKPV-LJQANCHMSA-N 1 3 310.485 3.941 20 0 DHADHO Fc1cccc(CCCN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000182803515 1037679595 /nfs/dbraw/zinc/67/95/95/1037679595.db2.gz VBKBFVMMURTWFK-LJQANCHMSA-N 1 3 304.453 3.709 20 0 DHADHO CCc1cc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc[nH+]1 ZINC001201474024 1037737888 /nfs/dbraw/zinc/73/78/88/1037737888.db2.gz AGNOIEVJDUCAQT-RTWAWAEBSA-N 1 3 319.452 3.799 20 0 DHADHO c1ccc(CCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001201604416 1037805562 /nfs/dbraw/zinc/80/55/62/1037805562.db2.gz WJBLZSQDYSZFPZ-JOCHJYFZSA-N 1 3 320.480 3.827 20 0 DHADHO c1ccc(CCN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001201604416 1037805579 /nfs/dbraw/zinc/80/55/79/1037805579.db2.gz WJBLZSQDYSZFPZ-JOCHJYFZSA-N 1 3 320.480 3.827 20 0 DHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC001201673814 1037825861 /nfs/dbraw/zinc/82/58/61/1037825861.db2.gz PVBHSDCESCDXML-VQTJNVASSA-N 1 3 300.490 3.958 20 0 DHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCCc1ccccc1 ZINC001201673814 1037825884 /nfs/dbraw/zinc/82/58/84/1037825884.db2.gz PVBHSDCESCDXML-VQTJNVASSA-N 1 3 300.490 3.958 20 0 DHADHO CCCC[NH+]1CCC2(C[C@@H](N(C)Cc3cccs3)CO2)CC1 ZINC001201706173 1037847829 /nfs/dbraw/zinc/84/78/29/1037847829.db2.gz LCZHJAWULRSKGQ-MRXNPFEDSA-N 1 3 322.518 3.604 20 0 DHADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000124388763 1037897739 /nfs/dbraw/zinc/89/77/39/1037897739.db2.gz LEDJNWZSBQKCLU-OCCSQVGLSA-N 1 3 321.534 3.884 20 0 DHADHO CS[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001201857826 1037906794 /nfs/dbraw/zinc/90/67/94/1037906794.db2.gz SZBIRXZMZLBFQA-MSOLQXFVSA-N 1 3 310.551 3.905 20 0 DHADHO COCCC1(C[NH2+]C2CCN(CC(C)C)CC2)CCCCC1 ZINC000186881584 1037936539 /nfs/dbraw/zinc/93/65/39/1037936539.db2.gz BHZIKRBFFOLXPY-UHFFFAOYSA-N 1 3 310.526 3.683 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000126466696 1038066424 /nfs/dbraw/zinc/06/64/24/1038066424.db2.gz KSBIEBDGDHVBCN-KBXCAEBGSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000126466696 1038066442 /nfs/dbraw/zinc/06/64/42/1038066442.db2.gz KSBIEBDGDHVBCN-KBXCAEBGSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCCN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000126466696 1038066469 /nfs/dbraw/zinc/06/64/69/1038066469.db2.gz KSBIEBDGDHVBCN-KBXCAEBGSA-N 1 3 306.881 3.661 20 0 DHADHO [NH3+]Cc1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000571088577 1038078960 /nfs/dbraw/zinc/07/89/60/1038078960.db2.gz WCGNFJDOCLAVDW-INIZCTEOSA-N 1 3 302.418 3.611 20 0 DHADHO Fc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000162974647 1038096922 /nfs/dbraw/zinc/09/69/22/1038096922.db2.gz IMXSNNGWMGVDRC-UHFFFAOYSA-N 1 3 322.443 3.894 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC(C)(C)OC)ccc1OC ZINC000775399920 1038356969 /nfs/dbraw/zinc/35/69/69/1038356969.db2.gz GXSQBQSEWQFMJN-HNNXBMFYSA-N 1 3 322.493 3.613 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C2CCC2)cc1CN1CCCCC1 ZINC000775408972 1038377546 /nfs/dbraw/zinc/37/75/46/1038377546.db2.gz YKXHZNRKPVQFBQ-HNNXBMFYSA-N 1 3 302.462 3.884 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCC2CC2)ccc1OC ZINC000775413251 1038391147 /nfs/dbraw/zinc/39/11/47/1038391147.db2.gz ZHPNBJWWTXXTII-HNNXBMFYSA-N 1 3 304.478 3.988 20 0 DHADHO c1coc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001203290003 1038557537 /nfs/dbraw/zinc/55/75/37/1038557537.db2.gz SWIVRQDWNSDVBZ-RTBURBONSA-N 1 3 310.441 3.624 20 0 DHADHO c1coc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001203290003 1038557542 /nfs/dbraw/zinc/55/75/42/1038557542.db2.gz SWIVRQDWNSDVBZ-RTBURBONSA-N 1 3 310.441 3.624 20 0 DHADHO CSc1ccc(Cl)cc1CN1CCC[C@@](F)(C[NH3+])CC1 ZINC001205591442 1038628331 /nfs/dbraw/zinc/62/83/31/1038628331.db2.gz MYNBXOLFQWYRDS-HNNXBMFYSA-N 1 3 316.873 3.715 20 0 DHADHO [NH3+]C1(CC2CCC2)CCN([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415921 1039224562 /nfs/dbraw/zinc/22/45/62/1039224562.db2.gz SRPQRQPQIJUSLK-LJQANCHMSA-N 1 3 316.464 3.667 20 0 DHADHO [NH3+]C1(CC2CCC2)CCN([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415920 1039225962 /nfs/dbraw/zinc/22/59/62/1039225962.db2.gz SRPQRQPQIJUSLK-IBGZPJMESA-N 1 3 316.464 3.667 20 0 DHADHO CC[NH+]1CCC(CNCc2cc(Cl)ccc2Cl)CC1 ZINC000087759178 1039643912 /nfs/dbraw/zinc/64/39/12/1039643912.db2.gz JCHIVAGZCBJHOY-UHFFFAOYSA-N 1 3 301.261 3.815 20 0 DHADHO CCSC1(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000595098486 1040082230 /nfs/dbraw/zinc/08/22/30/1040082230.db2.gz GMQQJIUGVPBQKH-RDJZCZTQSA-N 1 3 310.551 3.905 20 0 DHADHO COCCC[NH+]1CCC(N[C@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000091317613 193038366 /nfs/dbraw/zinc/03/83/66/193038366.db2.gz XWDOLYYDLYZJOO-HXUWFJFHSA-N 1 3 316.489 3.537 20 0 DHADHO COc1ccc2cc(CN(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2c1 ZINC000093643872 193280074 /nfs/dbraw/zinc/28/00/74/193280074.db2.gz MBCIQSNSLLDXFJ-HNAYVOBHSA-N 1 3 312.457 3.763 20 0 DHADHO COc1ccc2cc(CN(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2c1 ZINC000093643872 193280076 /nfs/dbraw/zinc/28/00/76/193280076.db2.gz MBCIQSNSLLDXFJ-HNAYVOBHSA-N 1 3 312.457 3.763 20 0 DHADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626148 184179211 /nfs/dbraw/zinc/17/92/11/184179211.db2.gz YHERZZPBAXHARD-JMSVASOKSA-N 1 3 300.368 3.524 20 0 DHADHO C[C@@H](CC[NH2+][C@@H](C)c1ccc2c(c1)COC2)N1CCCCC1 ZINC000273310457 130104737 /nfs/dbraw/zinc/10/47/37/130104737.db2.gz WMFDNFXRNOIFLQ-HOTGVXAUSA-N 1 3 302.462 3.632 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(SC(F)F)cc1 ZINC000275611297 130347107 /nfs/dbraw/zinc/34/71/07/130347107.db2.gz LNVZMAQUPDMVHR-IUODEOHRSA-N 1 3 314.445 3.773 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(SC(F)F)cc1 ZINC000275611297 130347109 /nfs/dbraw/zinc/34/71/09/130347109.db2.gz LNVZMAQUPDMVHR-IUODEOHRSA-N 1 3 314.445 3.773 20 0 DHADHO CC(C)C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000278185936 130669649 /nfs/dbraw/zinc/66/96/49/130669649.db2.gz BVGXSEXHJMIPSY-LJQANCHMSA-N 1 3 301.478 3.633 20 0 DHADHO CCCCN1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000283692706 131013547 /nfs/dbraw/zinc/01/35/47/131013547.db2.gz AMALNSWYJKMIFS-SFHVURJKSA-N 1 3 302.462 3.624 20 0 DHADHO CCC[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000297439984 132015407 /nfs/dbraw/zinc/01/54/07/132015407.db2.gz WBIKTHMBVOWCGU-IYWMVGAKSA-N 1 3 316.489 3.587 20 0 DHADHO CCC[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000297439984 132015409 /nfs/dbraw/zinc/01/54/09/132015409.db2.gz WBIKTHMBVOWCGU-IYWMVGAKSA-N 1 3 316.489 3.587 20 0 DHADHO c1ccc([C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000297481229 132017987 /nfs/dbraw/zinc/01/79/87/132017987.db2.gz SGUSPOWXLKKWEV-NRFANRHFSA-N 1 3 321.468 3.834 20 0 DHADHO CN1CCC(C[NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000044516950 132160552 /nfs/dbraw/zinc/16/05/52/132160552.db2.gz KPSOUGWCLHRWOI-UHFFFAOYSA-N 1 3 300.471 3.847 20 0 DHADHO COc1ccc2cc(CNC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)ccc2c1 ZINC000131829188 196202413 /nfs/dbraw/zinc/20/24/13/196202413.db2.gz VMGWRRWZCHRFMG-IHWFROFDSA-N 1 3 324.468 3.953 20 0 DHADHO COc1ccc2cc(CNC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccc2c1 ZINC000131829188 196202415 /nfs/dbraw/zinc/20/24/15/196202415.db2.gz VMGWRRWZCHRFMG-IHWFROFDSA-N 1 3 324.468 3.953 20 0 DHADHO C[C@@H](C[NH2+][C@@H](C)CCc1ccc(F)cc1F)CN1CCCC1 ZINC000570649472 332791085 /nfs/dbraw/zinc/79/10/85/332791085.db2.gz ORMOIEQNVGFGFL-GJZGRUSLSA-N 1 3 310.432 3.607 20 0 DHADHO C[NH+](C)CCC1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000530626620 331613286 /nfs/dbraw/zinc/61/32/86/331613286.db2.gz PZQATIRBKVTNCN-UHFFFAOYSA-N 1 3 312.860 3.685 20 0 DHADHO c1cnc2c(c1)cccc2CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261701176 331783088 /nfs/dbraw/zinc/78/30/88/331783088.db2.gz JYRFUEWAYKSTEW-GBESFXJTSA-N 1 3 309.457 3.635 20 0 DHADHO CC(C)Oc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000131776209 332033532 /nfs/dbraw/zinc/03/35/32/332033532.db2.gz CJSXEZMIIRGMQD-AYHJJNSGSA-N 1 3 302.462 3.579 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000091959925 332097186 /nfs/dbraw/zinc/09/71/86/332097186.db2.gz OQTDNWOAXFMVIV-HUBLWGQQSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000091959925 332097188 /nfs/dbraw/zinc/09/71/88/332097188.db2.gz OQTDNWOAXFMVIV-HUBLWGQQSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000091959923 332097240 /nfs/dbraw/zinc/09/72/40/332097240.db2.gz OQTDNWOAXFMVIV-SLEUVZQESA-N 1 3 300.368 3.839 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000091959923 332097242 /nfs/dbraw/zinc/09/72/42/332097242.db2.gz OQTDNWOAXFMVIV-SLEUVZQESA-N 1 3 300.368 3.839 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1cccc(OCCN(C)C)c1 ZINC000566222445 332255947 /nfs/dbraw/zinc/25/59/47/332255947.db2.gz YCKSREIXEXJHDR-USXIJHARSA-N 1 3 308.441 3.558 20 0 DHADHO CC[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(OC(F)F)cc1 ZINC000566245010 332276712 /nfs/dbraw/zinc/27/67/12/332276712.db2.gz HNPDPONADIWHQE-KRWDZBQOSA-N 1 3 320.383 3.988 20 0 DHADHO CC1(C)OCC[C@@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000559752332 332279047 /nfs/dbraw/zinc/27/90/47/332279047.db2.gz FXLWEEBJUSFKQD-IBGZPJMESA-N 1 3 316.489 3.720 20 0 DHADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000560021359 332302535 /nfs/dbraw/zinc/30/25/35/332302535.db2.gz FTAAZCWWNILVKZ-KBPBESRZSA-N 1 3 312.860 3.874 20 0 DHADHO C[NH2+]CCC1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000577849958 332309247 /nfs/dbraw/zinc/30/92/47/332309247.db2.gz OCFIHSYDHQPKNE-UHFFFAOYSA-N 1 3 312.860 3.733 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2ccncc2C)CC1)CC(C)C ZINC000560146026 332314708 /nfs/dbraw/zinc/31/47/08/332314708.db2.gz KXHCKKMMEBSLKO-UHFFFAOYSA-N 1 3 317.521 3.970 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2ccncc2C)CC1)CC(C)C ZINC000560146026 332314710 /nfs/dbraw/zinc/31/47/10/332314710.db2.gz KXHCKKMMEBSLKO-UHFFFAOYSA-N 1 3 317.521 3.970 20 0 DHADHO FC1(F)CCC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000449499617 332315006 /nfs/dbraw/zinc/31/50/06/332315006.db2.gz UBHXMQXKCJNOSW-AWEZNQCLSA-N 1 3 300.437 3.809 20 0 DHADHO FC1(F)CCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449499617 332315008 /nfs/dbraw/zinc/31/50/08/332315008.db2.gz UBHXMQXKCJNOSW-AWEZNQCLSA-N 1 3 300.437 3.809 20 0 DHADHO C[C@@H](c1ccccn1)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000177357966 333127918 /nfs/dbraw/zinc/12/79/18/333127918.db2.gz JCPMWBQINUDCDP-HKUYNNGSSA-N 1 3 309.457 3.597 20 0 DHADHO C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000177357966 333127919 /nfs/dbraw/zinc/12/79/19/333127919.db2.gz JCPMWBQINUDCDP-HKUYNNGSSA-N 1 3 309.457 3.597 20 0 DHADHO CCCN1CCC([N@H+](C)C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000582029288 333173956 /nfs/dbraw/zinc/17/39/56/333173956.db2.gz KYQJUDRKZHHRFU-SNAWJCMRSA-N 1 3 308.416 3.784 20 0 DHADHO CCCN1CCC([N@@H+](C)C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000582029288 333173957 /nfs/dbraw/zinc/17/39/57/333173957.db2.gz KYQJUDRKZHHRFU-SNAWJCMRSA-N 1 3 308.416 3.784 20 0 DHADHO CCC[NH+]1CCC(N(C)CCCOc2cccc(Cl)c2)CC1 ZINC000531382199 333347843 /nfs/dbraw/zinc/34/78/43/333347843.db2.gz FZOAEWWNUDTHKO-UHFFFAOYSA-N 1 3 324.896 3.915 20 0 DHADHO C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000311717431 333388059 /nfs/dbraw/zinc/38/80/59/333388059.db2.gz LGIVEGKUQACHKC-WPGHFRTFSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(Br)cc32)CC[N@H+]1C ZINC000311717431 333388060 /nfs/dbraw/zinc/38/80/60/333388060.db2.gz LGIVEGKUQACHKC-WPGHFRTFSA-N 1 3 323.278 3.509 20 0 DHADHO CC[NH+](CC)CC1CCN(CCSc2ccccc2)CC1 ZINC000522775697 333389029 /nfs/dbraw/zinc/38/90/29/333389029.db2.gz XGQQCUDQJNFGBJ-UHFFFAOYSA-N 1 3 306.519 3.833 20 0 DHADHO C[NH2+]C[C@H]1CCN(CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000563131687 333395292 /nfs/dbraw/zinc/39/52/92/333395292.db2.gz FAWFHSLDVIRLDP-OAHLLOKOSA-N 1 3 314.395 3.569 20 0 DHADHO C[NH2+]C[C@@H]1CCN(CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000563131686 333395497 /nfs/dbraw/zinc/39/54/97/333395497.db2.gz FAWFHSLDVIRLDP-HNNXBMFYSA-N 1 3 314.395 3.569 20 0 DHADHO CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000571416895 333787877 /nfs/dbraw/zinc/78/78/77/333787877.db2.gz IPKOWAFCUIWBKV-NJAFHUGGSA-N 1 3 304.478 3.654 20 0 DHADHO COc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000414058075 333888571 /nfs/dbraw/zinc/88/85/71/333888571.db2.gz GUSLBVTTWWSQQM-MRXNPFEDSA-N 1 3 312.457 3.916 20 0 DHADHO CNC[C@@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414666960 334062360 /nfs/dbraw/zinc/06/23/60/334062360.db2.gz GXFMTCPBYJENJZ-NRFANRHFSA-N 1 3 322.496 3.629 20 0 DHADHO CNC[C@@H]1CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414666960 334062361 /nfs/dbraw/zinc/06/23/61/334062361.db2.gz GXFMTCPBYJENJZ-NRFANRHFSA-N 1 3 322.496 3.629 20 0 DHADHO C[C@@H]1C[C@H](CN2CCCC[C@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC000414755056 334085648 /nfs/dbraw/zinc/08/56/48/334085648.db2.gz OOQXVHDYDMWARC-LBTNJELSSA-N 1 3 308.416 3.880 20 0 DHADHO FC(F)(F)c1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414777299 334092077 /nfs/dbraw/zinc/09/20/77/334092077.db2.gz HZEPQUYNELCWHA-RYUDHWBXSA-N 1 3 318.408 3.588 20 0 DHADHO CCN(c1ccccc1)c1ccc(C[NH2+]C2CCNCC2)cc1 ZINC000414790159 334097647 /nfs/dbraw/zinc/09/76/47/334097647.db2.gz PCXZZJBXSOROBU-UHFFFAOYSA-N 1 3 309.457 3.686 20 0 DHADHO CC(C)([NH3+])CN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801227 334101723 /nfs/dbraw/zinc/10/17/23/334101723.db2.gz IZYLBTXDFOPFTL-KBPBESRZSA-N 1 3 300.368 3.668 20 0 DHADHO CC(C)[C@H]([NH3+])CN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801347 334102051 /nfs/dbraw/zinc/10/20/51/334102051.db2.gz TZMPJLPKXFHZRG-XHSDSOJGSA-N 1 3 314.395 3.914 20 0 DHADHO CCC([NH3+])(CC)CNC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414806059 334103604 /nfs/dbraw/zinc/10/36/04/334103604.db2.gz HALRVDRZGMFEFP-GFCCVEGCSA-N 1 3 302.384 3.916 20 0 DHADHO c1ccc(N2CCC([NH2+]CCNC3CCCCCC3)CC2)cc1 ZINC000414805015 334103997 /nfs/dbraw/zinc/10/39/97/334103997.db2.gz LHOXSVBNMLHCOA-UHFFFAOYSA-N 1 3 315.505 3.557 20 0 DHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(OC(F)F)c(Cl)c1 ZINC000414807824 334104168 /nfs/dbraw/zinc/10/41/68/334104168.db2.gz ROQODUCLQGWHFE-AAEUAGOBSA-N 1 3 318.795 3.549 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(OC(F)F)cc2)cc1 ZINC000414809993 334104764 /nfs/dbraw/zinc/10/47/64/334104764.db2.gz NEPSVPALXBXWLD-GFCCVEGCSA-N 1 3 306.356 3.598 20 0 DHADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(OCC3CC3)cc2)cc1 ZINC000414817284 334106980 /nfs/dbraw/zinc/10/69/80/334106980.db2.gz RWVHKVXPZUJAMP-HNNXBMFYSA-N 1 3 310.441 3.785 20 0 DHADHO Clc1ccc(OC2CCCC2)c(CNCC[C@@H]2CC[NH2+]C2)c1 ZINC000414830372 334110486 /nfs/dbraw/zinc/11/04/86/334110486.db2.gz LYASZJKUHFEGHA-AWEZNQCLSA-N 1 3 322.880 3.751 20 0 DHADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414848897 334121751 /nfs/dbraw/zinc/12/17/51/334121751.db2.gz XOZKTSLQOJWRBO-RCBQFDQVSA-N 1 3 314.395 3.787 20 0 DHADHO C[NH2+]C[C@H](C)CN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414848897 334121752 /nfs/dbraw/zinc/12/17/52/334121752.db2.gz XOZKTSLQOJWRBO-RCBQFDQVSA-N 1 3 314.395 3.787 20 0 DHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC1([NH3+])CCCCC1 ZINC000414849531 334121965 /nfs/dbraw/zinc/12/19/65/334121965.db2.gz XSKOAUGBZPDLRY-ZDUSSCGKSA-N 1 3 314.395 3.888 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414854977 334128137 /nfs/dbraw/zinc/12/81/37/334128137.db2.gz MMBPGYITWCADGQ-IPYPFGDCSA-N 1 3 314.395 3.614 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c(C)c1OC ZINC000286248156 334152478 /nfs/dbraw/zinc/15/24/78/334152478.db2.gz UGTFFVBSHUBCGV-HRCADAONSA-N 1 3 320.477 3.536 20 0 DHADHO C[C@@H]1CNCC[C@H]1[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000414945827 334204906 /nfs/dbraw/zinc/20/49/06/334204906.db2.gz SFHWUYCYMUBFLR-MLGOLLRUSA-N 1 3 315.288 3.904 20 0 DHADHO C[C@@H](Cc1c(Cl)cccc1Cl)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414946006 334205196 /nfs/dbraw/zinc/20/51/96/334205196.db2.gz JDOCXQVVKUDOHT-WOPDTQHZSA-N 1 3 301.261 3.655 20 0 DHADHO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414946006 334205198 /nfs/dbraw/zinc/20/51/98/334205198.db2.gz JDOCXQVVKUDOHT-WOPDTQHZSA-N 1 3 301.261 3.655 20 0 DHADHO C[C@@H](CC[NH2+]C[C@@H]1CCCNC1)c1cccc(C(F)(F)F)c1 ZINC000415083835 334272514 /nfs/dbraw/zinc/27/25/14/334272514.db2.gz FVFOJZHJQCSRTM-UONOGXRCSA-N 1 3 314.395 3.788 20 0 DHADHO C[C@@H](CCNC[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415083835 334272515 /nfs/dbraw/zinc/27/25/15/334272515.db2.gz FVFOJZHJQCSRTM-UONOGXRCSA-N 1 3 314.395 3.788 20 0 DHADHO C[C@H]1C[C@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)CCN1 ZINC000414961278 334212726 /nfs/dbraw/zinc/21/27/26/334212726.db2.gz YSETWARPLBBATL-FXAWDEMLSA-N 1 3 308.469 3.571 20 0 DHADHO Fc1ccccc1-c1ccc(CNCCC[C@@H]2CCC[NH2+]2)o1 ZINC000414962281 334213071 /nfs/dbraw/zinc/21/30/71/334213071.db2.gz CBCRUBNYERNGPU-CQSZACIVSA-N 1 3 302.393 3.708 20 0 DHADHO C[C@@H](CCNC[C@]1(C)CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415086291 334273317 /nfs/dbraw/zinc/27/33/17/334273317.db2.gz JKSHVUWSACYESP-BBRMVZONSA-N 1 3 314.395 3.788 20 0 DHADHO Fc1ccc(CNCCC[C@@H]2CCC[NH2+]2)c(Cl)c1Cl ZINC000414972758 334220493 /nfs/dbraw/zinc/22/04/93/334220493.db2.gz YDELLAXTFSLBPB-LLVKDONJSA-N 1 3 305.224 3.754 20 0 DHADHO COc1cc(Cl)c(CNCCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000414975960 334222501 /nfs/dbraw/zinc/22/25/01/334222501.db2.gz PBEADCSTYCIDQP-LBPRGKRZSA-N 1 3 317.260 3.624 20 0 DHADHO c1ccc([C@@H]2C[C@H](NCc3ccc4c(c3)CCCN4)CC[NH2+]2)cc1 ZINC000414983440 334227345 /nfs/dbraw/zinc/22/73/45/334227345.db2.gz TZFZZPGMNZLZDP-CTNGQTDRSA-N 1 3 321.468 3.628 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](CNCc2csc(-c3ccc(F)cc3)n2)C1 ZINC000414992456 334231080 /nfs/dbraw/zinc/23/10/80/334231080.db2.gz KMRDOVCBWSAJIB-DOMZBBRYSA-N 1 3 319.449 3.556 20 0 DHADHO COc1cc(Cl)c(CNC[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414996216 334235215 /nfs/dbraw/zinc/23/52/15/334235215.db2.gz GGYDWLXGYOGUSN-ZYHUDNBSSA-N 1 3 317.260 3.609 20 0 DHADHO COc1c(Cl)cc(Cl)cc1CNC[C@H]1CCC[C@H]([NH3+])C1 ZINC000414996953 334235326 /nfs/dbraw/zinc/23/53/26/334235326.db2.gz PAXDAQVGSJGHLO-GWCFXTLKSA-N 1 3 317.260 3.609 20 0 DHADHO C[C@H](CCCC[NH3+])NCc1cc(Cl)ccc1OC(F)F ZINC000415014867 334258697 /nfs/dbraw/zinc/25/86/97/334258697.db2.gz NHMGCNVOWRCJHS-SNVBAGLBSA-N 1 3 306.784 3.549 20 0 DHADHO COc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000415046520 334261171 /nfs/dbraw/zinc/26/11/71/334261171.db2.gz CQMKGOINACCFJE-KRWDZBQOSA-N 1 3 318.848 3.918 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000415080912 334271315 /nfs/dbraw/zinc/27/13/15/334271315.db2.gz MIQARLLIXNZITJ-JCGIZDLHSA-N 1 3 304.453 3.614 20 0 DHADHO CC(C)C[C@H]([NH3+])CNC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415093626 334280666 /nfs/dbraw/zinc/28/06/66/334280666.db2.gz CHYFDYCODDIHRG-DOMZBBRYSA-N 1 3 302.384 3.772 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000531956310 334307944 /nfs/dbraw/zinc/30/79/44/334307944.db2.gz UYSMBANTPQVTQH-SOLBZPMBSA-N 1 3 304.478 3.856 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@H]3CCC(C)(C)O3)CC2)C1 ZINC000187871172 334317481 /nfs/dbraw/zinc/31/74/81/334317481.db2.gz GJTWAUUWDRZZRN-NXHRZFHOSA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344115425 335218408 /nfs/dbraw/zinc/21/84/08/335218408.db2.gz XJPPICXVJJGWJC-DNVCBOLYSA-N 1 3 304.453 3.913 20 0 DHADHO CN1CC=C(C[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000344298545 335238256 /nfs/dbraw/zinc/23/82/56/335238256.db2.gz BVHFXOVMIBMMIY-GOSISDBHSA-N 1 3 304.865 3.959 20 0 DHADHO Cc1cc(Cl)c2c(c1)[C@H](NCC1=CC[N@H+](C)CC1)CCCO2 ZINC000344308444 335239508 /nfs/dbraw/zinc/23/95/08/335239508.db2.gz YODXVVJMHXCXBJ-QGZVFWFLSA-N 1 3 320.864 3.714 20 0 DHADHO Cc1cc(Cl)c2c(c1)[C@H](NCC1=CC[N@@H+](C)CC1)CCCO2 ZINC000344308444 335239509 /nfs/dbraw/zinc/23/95/09/335239509.db2.gz YODXVVJMHXCXBJ-QGZVFWFLSA-N 1 3 320.864 3.714 20 0 DHADHO CC[N@@H+]1CC[C@H](NCc2cccc(-c3cccnc3)c2)[C@H](C)C1 ZINC000344527162 335255364 /nfs/dbraw/zinc/25/53/64/335255364.db2.gz AORNAIVHTHJGCE-UZLBHIALSA-N 1 3 309.457 3.569 20 0 DHADHO CC[N@H+]1CC[C@H](NCc2cccc(-c3cccnc3)c2)[C@H](C)C1 ZINC000344527162 335255365 /nfs/dbraw/zinc/25/53/65/335255365.db2.gz AORNAIVHTHJGCE-UZLBHIALSA-N 1 3 309.457 3.569 20 0 DHADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)[C@@H]1CCCO1 ZINC000346464447 335409906 /nfs/dbraw/zinc/40/99/06/335409906.db2.gz QEEQVUMGPDLWRA-XLIONFOSSA-N 1 3 316.489 3.576 20 0 DHADHO COC1CC([NH2+]Cc2ccccc2-c2ccc(CN(C)C)cc2)C1 ZINC000347214257 335480356 /nfs/dbraw/zinc/48/03/56/335480356.db2.gz XEGQOKDOIGQNAQ-UHFFFAOYSA-N 1 3 324.468 3.682 20 0 DHADHO c1ccc2c(CN3CCC(C[NH+]4CCCC4)CC3)ccnc2c1 ZINC000535780710 335764713 /nfs/dbraw/zinc/76/47/13/335764713.db2.gz RVGNKCJXMGXSBW-UHFFFAOYSA-N 1 3 309.457 3.543 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H](Cc2ccccc2)c2cccs2)C1 ZINC000519717262 335890149 /nfs/dbraw/zinc/89/01/49/335890149.db2.gz WWGMJCIGBSWZJJ-ZACQAIPSSA-N 1 3 300.471 3.891 20 0 DHADHO CCOc1ccccc1CNCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000520205011 335938602 /nfs/dbraw/zinc/93/86/02/335938602.db2.gz OVLHZXXIRDNMDN-QZTJIDSGSA-N 1 3 318.505 3.933 20 0 DHADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CC[C@H]2C(C)(C)C)cc1 ZINC000520632431 335997812 /nfs/dbraw/zinc/99/78/12/335997812.db2.gz VLWSRIRBODVYOT-MOPGFXCFSA-N 1 3 318.505 3.584 20 0 DHADHO CSCc1cc(F)ccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000167116713 336019573 /nfs/dbraw/zinc/01/95/73/336019573.db2.gz IDKQXFMOOKCLLP-IIYDPXPESA-N 1 3 310.482 3.507 20 0 DHADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000351470545 336036302 /nfs/dbraw/zinc/03/63/02/336036302.db2.gz CWMKJRXGYHIDOU-LJQANCHMSA-N 1 3 303.494 3.621 20 0 DHADHO CCN(CC)CCC[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000351470545 336036303 /nfs/dbraw/zinc/03/63/03/336036303.db2.gz CWMKJRXGYHIDOU-LJQANCHMSA-N 1 3 303.494 3.621 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000333342014 336202091 /nfs/dbraw/zinc/20/20/91/336202091.db2.gz YHTIGSRUVJJYOR-OWSLCNJRSA-N 1 3 301.478 3.523 20 0 DHADHO CC[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(F)cn1 ZINC000352555989 336224410 /nfs/dbraw/zinc/22/44/10/336224410.db2.gz UKQSNMFKVVXSLY-QGZVFWFLSA-N 1 3 307.457 3.774 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C1 ZINC000580363605 336260251 /nfs/dbraw/zinc/26/02/51/336260251.db2.gz GFRXXENDZVMQMS-GUDVDZBRSA-N 1 3 315.505 3.736 20 0 DHADHO CCc1nocc1CN1CCC(CCC[NH+](CC)CC)CC1 ZINC000352855780 336280900 /nfs/dbraw/zinc/28/09/00/336280900.db2.gz ZWYSFSFLLBCPOI-UHFFFAOYSA-N 1 3 307.482 3.571 20 0 DHADHO c1cc2c(cccc2CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000192932586 336285160 /nfs/dbraw/zinc/28/51/60/336285160.db2.gz KZKMNJVVKHCCRJ-GOSISDBHSA-N 1 3 319.452 3.780 20 0 DHADHO c1cc2c(cccc2CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000192932586 336285161 /nfs/dbraw/zinc/28/51/61/336285161.db2.gz KZKMNJVVKHCCRJ-GOSISDBHSA-N 1 3 319.452 3.780 20 0 DHADHO CCc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2n1 ZINC000301775040 336329082 /nfs/dbraw/zinc/32/90/82/336329082.db2.gz GCHLEJIBQQGHHE-BEFAXECRSA-N 1 3 309.457 3.718 20 0 DHADHO CCc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc2n1 ZINC000301775040 336329083 /nfs/dbraw/zinc/32/90/83/336329083.db2.gz GCHLEJIBQQGHHE-BEFAXECRSA-N 1 3 309.457 3.718 20 0 DHADHO c1c2ccccc2oc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000514586246 336384073 /nfs/dbraw/zinc/38/40/73/336384073.db2.gz QAAWBFOEABKVJJ-UHFFFAOYSA-N 1 3 307.397 3.586 20 0 DHADHO C[N@@H+]1CCC[C@H](CNC[C@H]2CCC(C)(C)O2)[C@H]1c1ccccc1 ZINC000375453118 337011379 /nfs/dbraw/zinc/01/13/79/337011379.db2.gz BELTXDDNWDJCHT-GUDVDZBRSA-N 1 3 316.489 3.617 20 0 DHADHO C[N@H+]1CCC[C@H](CNC[C@H]2CCC(C)(C)O2)[C@H]1c1ccccc1 ZINC000375453118 337011380 /nfs/dbraw/zinc/01/13/80/337011380.db2.gz BELTXDDNWDJCHT-GUDVDZBRSA-N 1 3 316.489 3.617 20 0 DHADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@H]2CCCSC2)CC1 ZINC000376821240 337042067 /nfs/dbraw/zinc/04/20/67/337042067.db2.gz XEFUFTJEZZEZKT-JFIYKMOQSA-N 1 3 310.551 3.762 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CCCSC2)CC1 ZINC000376821240 337042068 /nfs/dbraw/zinc/04/20/68/337042068.db2.gz XEFUFTJEZZEZKT-JFIYKMOQSA-N 1 3 310.551 3.762 20 0 DHADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000377586688 337055590 /nfs/dbraw/zinc/05/55/90/337055590.db2.gz YRSZEUJYLPMOBH-RTBURBONSA-N 1 3 316.489 3.759 20 0 DHADHO Cc1ccc(C[N@H+](C)C2CCN(c3ccncc3)CC2)s1 ZINC000377690472 337058656 /nfs/dbraw/zinc/05/86/56/337058656.db2.gz COLISIOBQLTWJP-UHFFFAOYSA-N 1 3 301.459 3.552 20 0 DHADHO Cc1ccc(C[N@@H+](C)C2CCN(c3ccncc3)CC2)s1 ZINC000377690472 337058655 /nfs/dbraw/zinc/05/86/55/337058655.db2.gz COLISIOBQLTWJP-UHFFFAOYSA-N 1 3 301.459 3.552 20 0 DHADHO CSC1(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000193803796 337080256 /nfs/dbraw/zinc/08/02/56/337080256.db2.gz OCGRITVLCONGRH-DOTOQJQBSA-N 1 3 310.551 3.905 20 0 DHADHO CSC1(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000193803796 337080257 /nfs/dbraw/zinc/08/02/57/337080257.db2.gz OCGRITVLCONGRH-DOTOQJQBSA-N 1 3 310.551 3.905 20 0 DHADHO c1csc(CCC[NH2+]C2CCN(CC3CCCCC3)CC2)n1 ZINC000360056297 337084529 /nfs/dbraw/zinc/08/45/29/337084529.db2.gz GJJWSLMQNNGWMQ-UHFFFAOYSA-N 1 3 321.534 3.710 20 0 DHADHO c1csc(CCCNC2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000360056297 337084530 /nfs/dbraw/zinc/08/45/30/337084530.db2.gz GJJWSLMQNNGWMQ-UHFFFAOYSA-N 1 3 321.534 3.710 20 0 DHADHO Cc1nc2ccccc2c(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000582551441 337104218 /nfs/dbraw/zinc/10/42/18/337104218.db2.gz TYBMBEXXWAHKDJ-HXUWFJFHSA-N 1 3 309.457 3.774 20 0 DHADHO Cc1nc2ccccc2c(N2CC[C@]3(C2)CCC[N@H+](C)C3)c1C ZINC000582551441 337104219 /nfs/dbraw/zinc/10/42/19/337104219.db2.gz TYBMBEXXWAHKDJ-HXUWFJFHSA-N 1 3 309.457 3.774 20 0 DHADHO CC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc(C)ccc1OC ZINC000179401128 337167747 /nfs/dbraw/zinc/16/77/47/337167747.db2.gz MXASVDJIUJJPRU-LJQANCHMSA-N 1 3 316.489 3.919 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2cnc(C)s2)CC1 ZINC000182748756 337189603 /nfs/dbraw/zinc/18/96/03/337189603.db2.gz STOKZRLUEFHKBH-UHFFFAOYSA-N 1 3 309.523 3.786 20 0 DHADHO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000469807424 337192050 /nfs/dbraw/zinc/19/20/50/337192050.db2.gz HWTPTDJLMHBUOW-HOTGVXAUSA-N 1 3 304.478 3.856 20 0 DHADHO FC(F)(F)C1CCC(CN2CCC([NH+]3CCCC3)CC2)CC1 ZINC000185493450 337205833 /nfs/dbraw/zinc/20/58/33/337205833.db2.gz DSPJIJCKQUZATM-UHFFFAOYSA-N 1 3 318.427 3.915 20 0 DHADHO FC(F)(F)C1CCC(C[NH+]2CCC(N3CCCC3)CC2)CC1 ZINC000185493450 337205834 /nfs/dbraw/zinc/20/58/34/337205834.db2.gz DSPJIJCKQUZATM-UHFFFAOYSA-N 1 3 318.427 3.915 20 0 DHADHO Cc1ccncc1CCCNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000583172034 337252086 /nfs/dbraw/zinc/25/20/86/337252086.db2.gz QQJGKROWNJJTBK-HXUWFJFHSA-N 1 3 315.505 3.709 20 0 DHADHO Cc1ccncc1CCCNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000583172034 337252087 /nfs/dbraw/zinc/25/20/87/337252087.db2.gz QQJGKROWNJJTBK-HXUWFJFHSA-N 1 3 315.505 3.709 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(C)nc2C)CC1 ZINC000186688109 337258541 /nfs/dbraw/zinc/25/85/41/337258541.db2.gz GKWYXKVUBZCDEG-UHFFFAOYSA-N 1 3 303.494 3.642 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C)nc2C)CC1 ZINC000186688109 337258542 /nfs/dbraw/zinc/25/85/42/337258542.db2.gz GKWYXKVUBZCDEG-UHFFFAOYSA-N 1 3 303.494 3.642 20 0 DHADHO CCC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccsc1 ZINC000187726645 337269594 /nfs/dbraw/zinc/26/95/94/337269594.db2.gz BQWDWQFQVJMPTH-YJBOKZPZSA-N 1 3 322.518 3.680 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCCc3sccc32)c1 ZINC000123682315 337400480 /nfs/dbraw/zinc/40/04/80/337400480.db2.gz HLYFLUGTWVAOSK-QGZVFWFLSA-N 1 3 300.471 3.977 20 0 DHADHO FC(F)(F)c1cccc([C@@H](NC[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420391903 337500460 /nfs/dbraw/zinc/50/04/60/337500460.db2.gz BFWXDWRINWZFFA-WBMJQRKESA-N 1 3 312.379 3.746 20 0 DHADHO Cc1cccc2c1CC[C@H]2NCc1cccc(OCC[NH+](C)C)c1 ZINC000162541130 337635287 /nfs/dbraw/zinc/63/52/87/337635287.db2.gz NLGGWSUUHFJJHA-OAQYLSRUSA-N 1 3 324.468 3.713 20 0 DHADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(Br)cc1 ZINC000574989856 337669380 /nfs/dbraw/zinc/66/93/80/337669380.db2.gz XFPSUAVDBCUFMN-LBPRGKRZSA-N 1 3 319.246 3.759 20 0 DHADHO Cc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C1CC1 ZINC000422712382 337683746 /nfs/dbraw/zinc/68/37/46/337683746.db2.gz NXVJDAKOIATQAE-QRWLVFNGSA-N 1 3 309.457 3.959 20 0 DHADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422739952 337684735 /nfs/dbraw/zinc/68/47/35/337684735.db2.gz AWEZKFFLFTYVMU-QKYXUNIQSA-N 1 3 308.425 3.593 20 0 DHADHO Cc1cccnc1[C@H](N[C@@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422749180 337685016 /nfs/dbraw/zinc/68/50/16/337685016.db2.gz XXEFDZYXNWEBGC-MAUKXSAKSA-N 1 3 312.461 3.600 20 0 DHADHO Cc1cccc2c(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c[nH]c21 ZINC000422779379 337686126 /nfs/dbraw/zinc/68/61/26/337686126.db2.gz IKPKDDNRGXQPCK-OTWHNJEPSA-N 1 3 311.473 3.529 20 0 DHADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1CN)c1cccc(C(F)(F)F)c1 ZINC000422810828 337687595 /nfs/dbraw/zinc/68/75/95/337687595.db2.gz NYLBKXKGXLLWNA-XNRPHZJLSA-N 1 3 314.395 3.916 20 0 DHADHO COc1ccc(-c2csc(CN[C@@H]3CCC[C@@H]3C[NH3+])c2)cc1 ZINC000422829483 337688316 /nfs/dbraw/zinc/68/83/16/337688316.db2.gz UOZQHADECHXTBL-RDTXWAMCSA-N 1 3 316.470 3.641 20 0 DHADHO CC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422840524 337688598 /nfs/dbraw/zinc/68/85/98/337688598.db2.gz TWCHLABJPRDURB-SGMGOOAPSA-N 1 3 318.383 3.578 20 0 DHADHO c1ccc(SC2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)cc1 ZINC000422906352 337690729 /nfs/dbraw/zinc/69/07/29/337690729.db2.gz JSDXHKYYFQIHFR-SJPCQFCGSA-N 1 3 316.514 3.964 20 0 DHADHO C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C1CNC1 ZINC000423049458 337697112 /nfs/dbraw/zinc/69/71/12/337697112.db2.gz XRJUDVOOCLPCRJ-XZJROXQQSA-N 1 3 312.379 3.539 20 0 DHADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(OCc2ccccc2F)cc1 ZINC000423053773 337697374 /nfs/dbraw/zinc/69/73/74/337697374.db2.gz SXEZRECQLMKAOZ-HUUCEWRRSA-N 1 3 316.420 3.620 20 0 DHADHO Fc1ccccc1[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423092132 337698981 /nfs/dbraw/zinc/69/89/81/337698981.db2.gz ARRDMUDZFPJTAI-DQIJQRSUSA-N 1 3 316.464 3.972 20 0 DHADHO Fc1cccc([C@@H]2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423105706 337699721 /nfs/dbraw/zinc/69/97/21/337699721.db2.gz ZJSDTNMYZHBOLL-DABHTEOTSA-N 1 3 316.464 3.972 20 0 DHADHO Fc1ccc(C2CC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1Cl ZINC000423106902 337699730 /nfs/dbraw/zinc/69/97/30/337699730.db2.gz RPRHSMIHFMPAGB-OTHKPKEBSA-N 1 3 308.828 3.598 20 0 DHADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423122262 337700481 /nfs/dbraw/zinc/70/04/81/337700481.db2.gz BZFXNFAZEOEAGK-XFUTXVRSSA-N 1 3 302.437 3.582 20 0 DHADHO COc1cccc([C@H]2C[C@H](N[C@@H](C)C[C@H]3CCCCC[NH2+]3)C2)c1 ZINC000423164203 337702108 /nfs/dbraw/zinc/70/21/08/337702108.db2.gz SIDQYCPQSLBYER-KANFNMMFSA-N 1 3 316.489 3.842 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423167910 337702243 /nfs/dbraw/zinc/70/22/43/337702243.db2.gz GASDMLGKOMOEOP-JSNMRZPZSA-N 1 3 323.484 3.939 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423204396 337703824 /nfs/dbraw/zinc/70/38/24/337703824.db2.gz AMXFHEIFAKFIEO-MQLXINIDSA-N 1 3 312.910 3.871 20 0 DHADHO Clc1cccc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CCCNC3)C2)c1 ZINC000423212429 337704405 /nfs/dbraw/zinc/70/44/05/337704405.db2.gz LVXONLKTKFJZJL-KYJSFNMBSA-N 1 3 306.881 3.955 20 0 DHADHO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H]1CCCNC1 ZINC000423212480 337704448 /nfs/dbraw/zinc/70/44/48/337704448.db2.gz LZPVFCRNLOTAQY-HOTGVXAUSA-N 1 3 313.489 3.813 20 0 DHADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)s1 ZINC000423263616 337707957 /nfs/dbraw/zinc/70/79/57/337707957.db2.gz BEMZEISXKCRWQH-HBNTYKKESA-N 1 3 317.296 3.679 20 0 DHADHO Cc1c([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cnn1C(C)(C)C ZINC000423291923 337710106 /nfs/dbraw/zinc/71/01/06/337710106.db2.gz KOMXEMSRORBBNI-ZIAGYGMSSA-N 1 3 314.477 3.817 20 0 DHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC[C@H](C)C[NH3+] ZINC000423293599 337710571 /nfs/dbraw/zinc/71/05/71/337710571.db2.gz AGJAAGPUBDTDOH-OLZOCXBDSA-N 1 3 303.475 3.672 20 0 DHADHO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)CN)cc1 ZINC000423303965 337711337 /nfs/dbraw/zinc/71/13/37/337711337.db2.gz XVEIJPFUFIRWSF-IAGOWNOFSA-N 1 3 304.478 3.537 20 0 DHADHO CC[C@@H](NCCCC[NH3+])c1ccc(Br)cc1Cl ZINC000423315507 337711707 /nfs/dbraw/zinc/71/17/07/337711707.db2.gz AVEPIXMNTBQKJB-CYBMUJFWSA-N 1 3 319.674 3.882 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000423362646 337714545 /nfs/dbraw/zinc/71/45/45/337714545.db2.gz BJTIYCJHKZRSIJ-WCZJQEMASA-N 1 3 306.881 3.639 20 0 DHADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCN[C@@H](C)C2)cc1F ZINC000423366280 337714847 /nfs/dbraw/zinc/71/48/47/337714847.db2.gz CJRLDJJKPNIIMW-MBGYTDRXSA-N 1 3 320.452 3.591 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423401485 337715737 /nfs/dbraw/zinc/71/57/37/337715737.db2.gz QXJQZXGSMZYPSA-UWIFEVILSA-N 1 3 306.881 3.954 20 0 DHADHO Clc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423427062 337717071 /nfs/dbraw/zinc/71/70/71/337717071.db2.gz FOWIGBBJHWEDAR-YESZJQIVSA-N 1 3 320.864 3.531 20 0 DHADHO COc1ccc([C@H](Cc2ccccc2)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423376998 337717346 /nfs/dbraw/zinc/71/73/46/337717346.db2.gz VLBQGPMTXLSFLM-SBHAEUEKSA-N 1 3 324.468 3.839 20 0 DHADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CCN1 ZINC000423382855 337717590 /nfs/dbraw/zinc/71/75/90/337717590.db2.gz OSZCVBNHOIJISC-SIUPPRGNSA-N 1 3 306.881 3.781 20 0 DHADHO C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1csc(-c2ccccc2F)n1 ZINC000423496202 337722996 /nfs/dbraw/zinc/72/29/96/337722996.db2.gz FZJQJTMGUHSKAB-YNEHKIRRSA-N 1 3 319.449 3.727 20 0 DHADHO Cc1cccc([C@H](N[C@@H]2CC[C@H](C[NH3+])C2)c2cccc(F)c2)c1 ZINC000423509260 337723777 /nfs/dbraw/zinc/72/37/77/337723777.db2.gz ONLYJGMTPNWWGE-BEVDRBHNSA-N 1 3 312.432 3.941 20 0 DHADHO NC1(C[NH2+][C@@H]2CCC[C@H]2CCCF)C2CC3CC(C2)CC1C3 ZINC000423531761 337724572 /nfs/dbraw/zinc/72/45/72/337724572.db2.gz UAXGQBOMRDVJBS-PRLDQDABSA-N 1 3 308.485 3.648 20 0 DHADHO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCCNC2CC2)cc1F ZINC000423533503 337724695 /nfs/dbraw/zinc/72/46/95/337724695.db2.gz XQNYKQKUZFDQMN-FUHWJXTLSA-N 1 3 320.452 3.592 20 0 DHADHO C[NH+]1CCC(C)(CNCc2ccsc2C(F)(F)F)CC1 ZINC000527693872 337760423 /nfs/dbraw/zinc/76/04/23/337760423.db2.gz YKFGJUFBRLCEPM-UHFFFAOYSA-N 1 3 306.397 3.588 20 0 DHADHO COC(C)(C)C[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000121986736 337904962 /nfs/dbraw/zinc/90/49/62/337904962.db2.gz TZQZFAYIXQYOFQ-XYJFISCASA-N 1 3 310.526 3.823 20 0 DHADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000428867146 338063418 /nfs/dbraw/zinc/06/34/18/338063418.db2.gz JOBSGMBZYFYQNE-LLVKDONJSA-N 1 3 306.397 3.588 20 0 DHADHO CC[NH+]1CCC(CCNCc2nc3ccc(F)cc3s2)CC1 ZINC000428871113 338063748 /nfs/dbraw/zinc/06/37/48/338063748.db2.gz ZXBZQBOTPSEMQT-UHFFFAOYSA-N 1 3 321.465 3.647 20 0 DHADHO CN(C)[C@H]1CCC[N@H+](CCCOc2cccc(Cl)c2)CC1 ZINC000429530732 338083054 /nfs/dbraw/zinc/08/30/54/338083054.db2.gz UASYLVHPJNHCSR-INIZCTEOSA-N 1 3 310.869 3.525 20 0 DHADHO CN(C)[C@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)CC1 ZINC000429530732 338083055 /nfs/dbraw/zinc/08/30/55/338083055.db2.gz UASYLVHPJNHCSR-INIZCTEOSA-N 1 3 310.869 3.525 20 0 DHADHO CN1CC[C@]2(CC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000430143475 338098979 /nfs/dbraw/zinc/09/89/79/338098979.db2.gz AOCRSHWJMZVKNF-FQEVSTJZSA-N 1 3 314.473 3.536 20 0 DHADHO CN1CC[C@]2(CC[N@@H+](Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000430143475 338098980 /nfs/dbraw/zinc/09/89/80/338098980.db2.gz AOCRSHWJMZVKNF-FQEVSTJZSA-N 1 3 314.473 3.536 20 0 DHADHO C[C@H]([NH3+])[C@H]1CCCN(CCCOc2cccc3ccccc32)C1 ZINC000430551435 338108480 /nfs/dbraw/zinc/10/84/80/338108480.db2.gz PSVMOOXDNLLDMY-WMZOPIPTSA-N 1 3 312.457 3.668 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000435374870 338238187 /nfs/dbraw/zinc/23/81/87/338238187.db2.gz RUUZSBYBWNLSPO-DNVCBOLYSA-N 1 3 310.441 3.531 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cc3c(cccc3F)[nH]2)C[C@H]1C ZINC000438104716 338331902 /nfs/dbraw/zinc/33/19/02/338331902.db2.gz YIEPUTNUKSZKIR-HIFRSBDPSA-N 1 3 303.425 3.612 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3c(cccc3F)[nH]2)C[C@H]1C ZINC000438104716 338331903 /nfs/dbraw/zinc/33/19/03/338331903.db2.gz YIEPUTNUKSZKIR-HIFRSBDPSA-N 1 3 303.425 3.612 20 0 DHADHO CCC(C)(C)CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000441475559 338414995 /nfs/dbraw/zinc/41/49/95/338414995.db2.gz QLGBJGNUWKPJQT-IRXDYDNUSA-N 1 3 310.526 3.634 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2(CCO)CCC2)CC1 ZINC000449185140 338600357 /nfs/dbraw/zinc/60/03/57/338600357.db2.gz IVADACUGBXNHGR-UHFFFAOYSA-N 1 3 324.553 3.808 20 0 DHADHO Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)ccc1F ZINC000459429284 339028566 /nfs/dbraw/zinc/02/85/66/339028566.db2.gz CLKCPSZFTBWPMC-OAHLLOKOSA-N 1 3 313.420 3.849 20 0 DHADHO CC1(C)CCC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459563407 339036031 /nfs/dbraw/zinc/03/60/31/339036031.db2.gz QFCMZPKGMDOUCP-MRXNPFEDSA-N 1 3 301.478 3.856 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2c(Cl)oc3ccccc32)C1 ZINC000459728647 339044754 /nfs/dbraw/zinc/04/47/54/339044754.db2.gz IPYMUQYMGNOZMS-ZDUSSCGKSA-N 1 3 306.837 3.908 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2c(Cl)oc3ccccc32)C1 ZINC000459728647 339044755 /nfs/dbraw/zinc/04/47/55/339044755.db2.gz IPYMUQYMGNOZMS-ZDUSSCGKSA-N 1 3 306.837 3.908 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(Oc3ccccc3)o2)C1 ZINC000459730517 339044919 /nfs/dbraw/zinc/04/49/19/339044919.db2.gz KMCMCFRPLOVJNE-INIZCTEOSA-N 1 3 314.429 3.893 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(Oc3ccccc3)o2)C1 ZINC000459730517 339044920 /nfs/dbraw/zinc/04/49/20/339044920.db2.gz KMCMCFRPLOVJNE-INIZCTEOSA-N 1 3 314.429 3.893 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2nc(-c3ccccc3)cs2)C1 ZINC000459734961 339045165 /nfs/dbraw/zinc/04/51/65/339045165.db2.gz PBIMHOWARZINQF-OAHLLOKOSA-N 1 3 315.486 3.632 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2nc(-c3ccccc3)cs2)C1 ZINC000459734961 339045166 /nfs/dbraw/zinc/04/51/66/339045166.db2.gz PBIMHOWARZINQF-OAHLLOKOSA-N 1 3 315.486 3.632 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000463025051 339101147 /nfs/dbraw/zinc/10/11/47/339101147.db2.gz NRLSSDVXMVPAAI-KURKYZTESA-N 1 3 310.526 3.536 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000463025051 339101148 /nfs/dbraw/zinc/10/11/48/339101148.db2.gz NRLSSDVXMVPAAI-KURKYZTESA-N 1 3 310.526 3.536 20 0 DHADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000463025051 339101149 /nfs/dbraw/zinc/10/11/49/339101149.db2.gz NRLSSDVXMVPAAI-KURKYZTESA-N 1 3 310.526 3.536 20 0 DHADHO C[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000463267603 339112580 /nfs/dbraw/zinc/11/25/80/339112580.db2.gz PUXFKCQHOQJJLC-SQWLQELKSA-N 1 3 314.395 3.828 20 0 DHADHO C[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000463267603 339112581 /nfs/dbraw/zinc/11/25/81/339112581.db2.gz PUXFKCQHOQJJLC-SQWLQELKSA-N 1 3 314.395 3.828 20 0 DHADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000467305962 339230789 /nfs/dbraw/zinc/23/07/89/339230789.db2.gz VXZLWGUEKOILKF-MSOLQXFVSA-N 1 3 303.494 3.738 20 0 DHADHO COc1cc2c(cc1F)CC[C@H]2[NH2+]CC1(CN(C)C)CCCC1 ZINC000467354056 339233555 /nfs/dbraw/zinc/23/35/55/339233555.db2.gz FOBKCRGHIZXLKM-QGZVFWFLSA-N 1 3 320.452 3.533 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000467444549 339238991 /nfs/dbraw/zinc/23/89/91/339238991.db2.gz HPVSMZYDXDHCJB-XYJFISCASA-N 1 3 304.478 3.714 20 0 DHADHO CC[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CCCO1 ZINC000467551471 339242085 /nfs/dbraw/zinc/24/20/85/339242085.db2.gz BPTFSUORWVKLOO-LJQANCHMSA-N 1 3 318.505 3.646 20 0 DHADHO CC[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCCO1 ZINC000467551471 339242086 /nfs/dbraw/zinc/24/20/86/339242086.db2.gz BPTFSUORWVKLOO-LJQANCHMSA-N 1 3 318.505 3.646 20 0 DHADHO C[C@@H](N[C@@H](C)CC(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000468028025 339251546 /nfs/dbraw/zinc/25/15/46/339251546.db2.gz UZTGINNHIBEEGN-QWHCGFSZSA-N 1 3 318.383 3.619 20 0 DHADHO C[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000468032923 339251812 /nfs/dbraw/zinc/25/18/12/339251812.db2.gz DNQSCASTUTZFOF-OLZOCXBDSA-N 1 3 318.383 3.619 20 0 DHADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccccc3OC3CCCC3)C[C@H]21 ZINC000469871987 339303379 /nfs/dbraw/zinc/30/33/79/339303379.db2.gz JHYHYIAWYGIZNZ-KFKAGJAMSA-N 1 3 314.473 3.567 20 0 DHADHO COc1ccc([C@H]2CCCCCN2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000469880604 339303636 /nfs/dbraw/zinc/30/36/36/339303636.db2.gz NXKOKZVTIROTPZ-VQIMIIECSA-N 1 3 302.462 3.612 20 0 DHADHO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000469880604 339303637 /nfs/dbraw/zinc/30/36/37/339303637.db2.gz NXKOKZVTIROTPZ-VQIMIIECSA-N 1 3 302.462 3.612 20 0 DHADHO COc1ccc([C@H]2CCCCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000469880604 339303638 /nfs/dbraw/zinc/30/36/38/339303638.db2.gz NXKOKZVTIROTPZ-VQIMIIECSA-N 1 3 302.462 3.612 20 0 DHADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000470003275 339308019 /nfs/dbraw/zinc/30/80/19/339308019.db2.gz PGQIHMCCNCHPGX-LBPRGKRZSA-N 1 3 306.862 3.849 20 0 DHADHO CCC[N@H+](C)C[C@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000471025729 339334733 /nfs/dbraw/zinc/33/47/33/339334733.db2.gz OTNBRSIMNLVQJB-QGZVFWFLSA-N 1 3 308.897 3.936 20 0 DHADHO CCC[N@@H+](C)C[C@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000471025729 339334734 /nfs/dbraw/zinc/33/47/34/339334734.db2.gz OTNBRSIMNLVQJB-QGZVFWFLSA-N 1 3 308.897 3.936 20 0 DHADHO CCCN(C)C[C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000471025729 339334735 /nfs/dbraw/zinc/33/47/35/339334735.db2.gz OTNBRSIMNLVQJB-QGZVFWFLSA-N 1 3 308.897 3.936 20 0 DHADHO CCCN(C)C[C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000471025729 339334736 /nfs/dbraw/zinc/33/47/36/339334736.db2.gz OTNBRSIMNLVQJB-QGZVFWFLSA-N 1 3 308.897 3.936 20 0 DHADHO Cc1ccc2[nH]c(C[NH2+]C3CCN(CC4CC4)CC3)cc2c1C ZINC000472051889 339361026 /nfs/dbraw/zinc/36/10/26/339361026.db2.gz IOEOWXDYYHCPTC-UHFFFAOYSA-N 1 3 311.473 3.749 20 0 DHADHO Cc1cccnc1CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472339294 339370178 /nfs/dbraw/zinc/37/01/78/339370178.db2.gz LNXCQGFDPJMCKF-CTNGQTDRSA-N 1 3 323.484 3.562 20 0 DHADHO C[C@@H](CCc1ccccc1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472446658 339372092 /nfs/dbraw/zinc/37/20/92/339372092.db2.gz AMHFTTPTLWVJJA-PXNSSMCTSA-N 1 3 300.490 3.671 20 0 DHADHO C[C@@H](CCc1ccccc1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472446658 339372093 /nfs/dbraw/zinc/37/20/93/339372093.db2.gz AMHFTTPTLWVJJA-PXNSSMCTSA-N 1 3 300.490 3.671 20 0 DHADHO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000472446658 339372094 /nfs/dbraw/zinc/37/20/94/339372094.db2.gz AMHFTTPTLWVJJA-PXNSSMCTSA-N 1 3 300.490 3.671 20 0 DHADHO C[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000472446658 339372095 /nfs/dbraw/zinc/37/20/95/339372095.db2.gz AMHFTTPTLWVJJA-PXNSSMCTSA-N 1 3 300.490 3.671 20 0 DHADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H](CSc2ccccc2)C1 ZINC000472575623 339374212 /nfs/dbraw/zinc/37/42/12/339374212.db2.gz UZCPZJXLEGNBDM-QZTJIDSGSA-N 1 3 318.530 3.975 20 0 DHADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H](CSc2ccccc2)C1 ZINC000472575623 339374213 /nfs/dbraw/zinc/37/42/13/339374213.db2.gz UZCPZJXLEGNBDM-QZTJIDSGSA-N 1 3 318.530 3.975 20 0 DHADHO CCCN(CCC)CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000474052846 339399405 /nfs/dbraw/zinc/39/94/05/339399405.db2.gz NMNRQYVPUAENFK-CEXWTWQISA-N 1 3 310.526 3.683 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(OCCN(C)C)cc1 ZINC000481245732 339599034 /nfs/dbraw/zinc/59/90/34/339599034.db2.gz KFYHBPXEUCELSN-DLBZAZTESA-N 1 3 302.462 3.634 20 0 DHADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000494906846 339964343 /nfs/dbraw/zinc/96/43/43/339964343.db2.gz FSZDIKVSOIPJNC-JXXFODFXSA-N 1 3 316.489 3.541 20 0 DHADHO C[N@H+](C/C=C/c1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000501069343 340073717 /nfs/dbraw/zinc/07/37/17/340073717.db2.gz PDUARAQJOBHHPW-VMPITWQZSA-N 1 3 321.468 3.943 20 0 DHADHO C[N@@H+](C/C=C/c1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000501069343 340073718 /nfs/dbraw/zinc/07/37/18/340073718.db2.gz PDUARAQJOBHHPW-VMPITWQZSA-N 1 3 321.468 3.943 20 0 DHADHO C[NH+](C)CCCC1CCN(CCSc2ccccc2F)CC1 ZINC000501776539 340088552 /nfs/dbraw/zinc/08/85/52/340088552.db2.gz OPSJPMAVPHRNRT-UHFFFAOYSA-N 1 3 324.509 3.972 20 0 DHADHO COc1ccc(CN(CC[C@H]2CCC[N@@H+]2C)[C@@H](C)C2CC2)cc1 ZINC000502719488 340112079 /nfs/dbraw/zinc/11/20/79/340112079.db2.gz BWTSYUNOFSPCGF-QFBILLFUSA-N 1 3 316.489 3.780 20 0 DHADHO COc1ccc(CN(CC[C@H]2CCC[N@H+]2C)[C@@H](C)C2CC2)cc1 ZINC000502719488 340112080 /nfs/dbraw/zinc/11/20/80/340112080.db2.gz BWTSYUNOFSPCGF-QFBILLFUSA-N 1 3 316.489 3.780 20 0 DHADHO CC[C@H](C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000503004777 340118479 /nfs/dbraw/zinc/11/84/79/340118479.db2.gz KTQUNTGUOCBOIN-GUDVDZBRSA-N 1 3 318.505 3.659 20 0 DHADHO CN(C)CCOc1ccccc1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503015889 340118740 /nfs/dbraw/zinc/11/87/40/340118740.db2.gz QZUODZVNXWSMGV-VQTJNVASSA-N 1 3 324.468 3.520 20 0 DHADHO CCCCOc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000506932480 340203943 /nfs/dbraw/zinc/20/39/43/340203943.db2.gz SVVXFAAMOUHHFS-UHFFFAOYSA-N 1 3 304.478 3.639 20 0 DHADHO C[NH+](C)CC1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000506945031 340204007 /nfs/dbraw/zinc/20/40/07/340204007.db2.gz NDZLZAJMYAZEIV-UHFFFAOYSA-N 1 3 316.420 3.859 20 0 DHADHO CC(C)[C@H](C)[N@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000507191958 340212342 /nfs/dbraw/zinc/21/23/42/340212342.db2.gz QNSBEEFSBQJAMU-KRWDZBQOSA-N 1 3 317.521 3.693 20 0 DHADHO CC(C)[C@H](C)[N@@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000507191958 340212343 /nfs/dbraw/zinc/21/23/43/340212343.db2.gz QNSBEEFSBQJAMU-KRWDZBQOSA-N 1 3 317.521 3.693 20 0 DHADHO C1=C(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCC1 ZINC000507462615 340220691 /nfs/dbraw/zinc/22/06/91/340220691.db2.gz PIPZRXQEMMBWFT-NJDAHSKKSA-N 1 3 310.485 3.987 20 0 DHADHO CC[C@H](CSC)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000507520025 340224041 /nfs/dbraw/zinc/22/40/41/340224041.db2.gz MMBRNOUGMNTIDD-AKHDSKFASA-N 1 3 318.530 3.628 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](CO)CC2CCCC2)CC1 ZINC000511019452 340318389 /nfs/dbraw/zinc/31/83/89/340318389.db2.gz SNWABXILZKHFHZ-AHRSYUTCSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H](CO)CC2CCCC2)CC1 ZINC000511019452 340318390 /nfs/dbraw/zinc/31/83/90/340318390.db2.gz SNWABXILZKHFHZ-AHRSYUTCSA-N 1 3 322.537 3.560 20 0 DHADHO c1coc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000512652786 340371048 /nfs/dbraw/zinc/37/10/48/340371048.db2.gz BMBHMCCCYAXUSI-SESVDKBCSA-N 1 3 324.468 3.712 20 0 DHADHO c1coc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512652786 340371049 /nfs/dbraw/zinc/37/10/49/340371049.db2.gz BMBHMCCCYAXUSI-SESVDKBCSA-N 1 3 324.468 3.712 20 0 DHADHO c1coc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512652786 340371050 /nfs/dbraw/zinc/37/10/50/340371050.db2.gz BMBHMCCCYAXUSI-SESVDKBCSA-N 1 3 324.468 3.712 20 0 DHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+][C@H]4CC=CCC4)[C@H]3C2)cc1 ZINC000512672694 340372476 /nfs/dbraw/zinc/37/24/76/340372476.db2.gz LUGCTFGNGQITLU-XSDIEEQYSA-N 1 3 310.485 3.985 20 0 DHADHO c1ccc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000306173392 340393999 /nfs/dbraw/zinc/39/39/99/340393999.db2.gz GCAXPHAUIZIJED-NHCUHLMSSA-N 1 3 306.453 3.641 20 0 DHADHO c1ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000306173392 340394000 /nfs/dbraw/zinc/39/40/00/340394000.db2.gz GCAXPHAUIZIJED-NHCUHLMSSA-N 1 3 306.453 3.641 20 0 DHADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000191569280 340555805 /nfs/dbraw/zinc/55/58/05/340555805.db2.gz UUAMPLAPNJPBSW-RBUKOAKNSA-N 1 3 323.569 3.597 20 0 DHADHO CCC(CC)(CCO)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305198066 340647826 /nfs/dbraw/zinc/64/78/26/340647826.db2.gz ZRUSRQKCNNWGOU-UHFFFAOYSA-N 1 3 310.526 3.562 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cccc(OCCN(C)C)c1 ZINC000537967511 340794134 /nfs/dbraw/zinc/79/41/34/340794134.db2.gz MBRILPCAZWKUIP-JFIYKMOQSA-N 1 3 304.478 3.856 20 0 DHADHO CCCC[C@@H](CC)CC[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000538851000 340857854 /nfs/dbraw/zinc/85/78/54/340857854.db2.gz ONRPXLSATSNKPR-GOSISDBHSA-N 1 3 323.569 3.741 20 0 DHADHO Cc1ccc(CCCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000542278918 341003321 /nfs/dbraw/zinc/00/33/21/341003321.db2.gz XBUVWPFJUMDUGG-FQEVSTJZSA-N 1 3 300.490 3.735 20 0 DHADHO Cc1ccc(CCC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000542278918 341003322 /nfs/dbraw/zinc/00/33/22/341003322.db2.gz XBUVWPFJUMDUGG-FQEVSTJZSA-N 1 3 300.490 3.735 20 0 DHADHO Cc1ccc(CCC[N@H+]2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000542278918 341003323 /nfs/dbraw/zinc/00/33/23/341003323.db2.gz XBUVWPFJUMDUGG-FQEVSTJZSA-N 1 3 300.490 3.735 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000543092888 341031549 /nfs/dbraw/zinc/03/15/49/341031549.db2.gz HBSMWVRVTMHDJF-QFBILLFUSA-N 1 3 318.480 3.811 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000543092888 341031550 /nfs/dbraw/zinc/03/15/50/341031550.db2.gz HBSMWVRVTMHDJF-QFBILLFUSA-N 1 3 318.480 3.811 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000543092888 341031551 /nfs/dbraw/zinc/03/15/51/341031551.db2.gz HBSMWVRVTMHDJF-QFBILLFUSA-N 1 3 318.480 3.811 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000543092888 341031552 /nfs/dbraw/zinc/03/15/52/341031552.db2.gz HBSMWVRVTMHDJF-QFBILLFUSA-N 1 3 318.480 3.811 20 0 DHADHO C[C@H](CCc1cccc(F)c1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000543092889 341031566 /nfs/dbraw/zinc/03/15/66/341031566.db2.gz HBSMWVRVTMHDJF-VQIMIIECSA-N 1 3 318.480 3.811 20 0 DHADHO C[C@H](CCc1cccc(F)c1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000543092889 341031567 /nfs/dbraw/zinc/03/15/67/341031567.db2.gz HBSMWVRVTMHDJF-VQIMIIECSA-N 1 3 318.480 3.811 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000543092889 341031568 /nfs/dbraw/zinc/03/15/68/341031568.db2.gz HBSMWVRVTMHDJF-VQIMIIECSA-N 1 3 318.480 3.811 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000543092889 341031569 /nfs/dbraw/zinc/03/15/69/341031569.db2.gz HBSMWVRVTMHDJF-VQIMIIECSA-N 1 3 318.480 3.811 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@@H]3CCO[C@@H](C)C3)CC2)C1 ZINC000543410031 341042638 /nfs/dbraw/zinc/04/26/38/341042638.db2.gz IPBOXMJCERPXKC-RMJJICAUSA-N 1 3 322.537 3.824 20 0 DHADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000543446148 341045057 /nfs/dbraw/zinc/04/50/57/341045057.db2.gz CNPCMDBASPWAFJ-ICSRJNTNSA-N 1 3 302.506 3.823 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2OCC(C)C)[C@H](C)C1 ZINC000130806589 341046112 /nfs/dbraw/zinc/04/61/12/341046112.db2.gz VZYQRJYXYBCVIG-SJLPKXTDSA-N 1 3 304.478 3.541 20 0 DHADHO C[C@H](CC1CCCCC1)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000544610997 341088859 /nfs/dbraw/zinc/08/88/59/341088859.db2.gz IMVNVEMVWGLPQN-VBSBHUPXSA-N 1 3 322.537 3.776 20 0 DHADHO CCn1c2ccccc2c2cc(CNC3CC[NH+](C)CC3)ccc21 ZINC000072726282 341101738 /nfs/dbraw/zinc/10/17/38/341101738.db2.gz NXFOOXJXVRCVOP-UHFFFAOYSA-N 1 3 321.468 3.998 20 0 DHADHO COc1ccc2oc(C[NH2+]CC3(CN(C)C)CCCC3)cc2c1 ZINC000546056296 341152890 /nfs/dbraw/zinc/15/28/90/341152890.db2.gz VBJISRYFVUZLHR-UHFFFAOYSA-N 1 3 316.445 3.653 20 0 DHADHO CCCC[C@@H](CC)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000546230025 341158322 /nfs/dbraw/zinc/15/83/22/341158322.db2.gz NHNLNEQVYYEAFK-LJQANCHMSA-N 1 3 323.569 3.693 20 0 DHADHO CC(C)C1CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000236587294 341188233 /nfs/dbraw/zinc/18/82/33/341188233.db2.gz DQSZABWRSIQYSJ-YYZRRKBYSA-N 1 3 310.526 3.680 20 0 DHADHO CC(C)(C)[NH+]1CCC(NC2CC(C)(c3ccccc3)C2)CC1 ZINC000547393438 341210806 /nfs/dbraw/zinc/21/08/06/341210806.db2.gz XEAIRUFNCIBKMW-UHFFFAOYSA-N 1 3 300.490 3.959 20 0 DHADHO CCc1[nH+]c2ccccc2c(N2CC[C@H](N3CC=CC3)C2)c1C ZINC000548791234 341275713 /nfs/dbraw/zinc/27/57/13/341275713.db2.gz AQFJKHVWYSRUHU-INIZCTEOSA-N 1 3 307.441 3.556 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(OCc3ccccc3)cc2)C1 ZINC000261539899 341282150 /nfs/dbraw/zinc/28/21/50/341282150.db2.gz DHLZCPCPUDBTOZ-RBUKOAKNSA-N 1 3 310.441 3.625 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCCSCc3ccccc3)CC[C@H]21 ZINC000245588637 341303954 /nfs/dbraw/zinc/30/39/54/341303954.db2.gz NWWOHUJTNQOUOR-RTBURBONSA-N 1 3 318.530 3.726 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCCSCc3ccccc3)CC[C@H]21 ZINC000245588637 341303955 /nfs/dbraw/zinc/30/39/55/341303955.db2.gz NWWOHUJTNQOUOR-RTBURBONSA-N 1 3 318.530 3.726 20 0 DHADHO COc1ccc2oc(CNCCCCC[NH+]3CCCC3)cc2c1 ZINC000549868003 341305596 /nfs/dbraw/zinc/30/55/96/341305596.db2.gz MDKKYZCSZOAFTN-UHFFFAOYSA-N 1 3 316.445 3.797 20 0 DHADHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccc1C ZINC000551014201 341329273 /nfs/dbraw/zinc/32/92/73/341329273.db2.gz KECBWWTWOQCTGP-UXHICEINSA-N 1 3 324.468 3.929 20 0 DHADHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccc1C ZINC000551014201 341329274 /nfs/dbraw/zinc/32/92/74/341329274.db2.gz KECBWWTWOQCTGP-UXHICEINSA-N 1 3 324.468 3.929 20 0 DHADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000246337168 341342714 /nfs/dbraw/zinc/34/27/14/341342714.db2.gz HKPWYDZDICIVFQ-STQMWFEESA-N 1 3 316.367 3.530 20 0 DHADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000246337168 341342715 /nfs/dbraw/zinc/34/27/15/341342715.db2.gz HKPWYDZDICIVFQ-STQMWFEESA-N 1 3 316.367 3.530 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000246896173 341358331 /nfs/dbraw/zinc/35/83/31/341358331.db2.gz FBHGLGNMEZZDME-FCEWJHQRSA-N 1 3 302.462 3.535 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000246956580 341358998 /nfs/dbraw/zinc/35/89/98/341358998.db2.gz IPAZFQAAFHKDOA-LPHOPBHVSA-N 1 3 318.530 3.727 20 0 DHADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccc(OC(F)F)c1 ZINC000246992116 341359646 /nfs/dbraw/zinc/35/96/46/341359646.db2.gz JKOBOPDBXQYZSH-AEGPPILISA-N 1 3 312.404 3.811 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247014233 341359927 /nfs/dbraw/zinc/35/99/27/341359927.db2.gz LJMNHFRCMSUMSH-RRFJBIMHSA-N 1 3 317.502 3.720 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247014233 341359928 /nfs/dbraw/zinc/35/99/28/341359928.db2.gz LJMNHFRCMSUMSH-RRFJBIMHSA-N 1 3 317.502 3.720 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247014233 341359929 /nfs/dbraw/zinc/35/99/29/341359929.db2.gz LJMNHFRCMSUMSH-RRFJBIMHSA-N 1 3 317.502 3.720 20 0 DHADHO CC[N@@H+]1CC[C@@H](NCCSc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000248040353 341372562 /nfs/dbraw/zinc/37/25/62/341372562.db2.gz SSYRIQKRPTTYKX-XJKSGUPXSA-N 1 3 312.910 3.752 20 0 DHADHO CC[N@H+]1CC[C@@H](NCCSc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000248040353 341372563 /nfs/dbraw/zinc/37/25/63/341372563.db2.gz SSYRIQKRPTTYKX-XJKSGUPXSA-N 1 3 312.910 3.752 20 0 DHADHO C[NH+](C)C1CCC(NCc2cccc(Cl)c2Cl)CC1 ZINC000552252331 341381564 /nfs/dbraw/zinc/38/15/64/341381564.db2.gz IXHSMJSATNOYEV-UHFFFAOYSA-N 1 3 301.261 3.956 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCCc3ccccc3Cl)CC[C@H]21 ZINC000248456837 341378339 /nfs/dbraw/zinc/37/83/39/341378339.db2.gz LWJYLMUKAVJDTE-SJLPKXTDSA-N 1 3 306.881 3.689 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCCc3ccccc3Cl)CC[C@H]21 ZINC000248456837 341378340 /nfs/dbraw/zinc/37/83/40/341378340.db2.gz LWJYLMUKAVJDTE-SJLPKXTDSA-N 1 3 306.881 3.689 20 0 DHADHO CC[NH+](CC)CCCN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC ZINC000552270774 341382620 /nfs/dbraw/zinc/38/26/20/341382620.db2.gz BYEYZGMBCIOKRB-AQNXPRMDSA-N 1 3 318.505 3.659 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC ZINC000552270774 341382621 /nfs/dbraw/zinc/38/26/21/341382621.db2.gz BYEYZGMBCIOKRB-AQNXPRMDSA-N 1 3 318.505 3.659 20 0 DHADHO CC[NH+](CC)CCCN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000552270777 341382634 /nfs/dbraw/zinc/38/26/34/341382634.db2.gz BYEYZGMBCIOKRB-ZCNNSNEGSA-N 1 3 318.505 3.659 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000552270777 341382635 /nfs/dbraw/zinc/38/26/35/341382635.db2.gz BYEYZGMBCIOKRB-ZCNNSNEGSA-N 1 3 318.505 3.659 20 0 DHADHO COc1ccc2ccccc2c1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000552357729 341388910 /nfs/dbraw/zinc/38/89/10/341388910.db2.gz OJELFNFEBHNAMF-NRFANRHFSA-N 1 3 324.468 3.766 20 0 DHADHO COc1ccc2ccccc2c1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000552357729 341388911 /nfs/dbraw/zinc/38/89/11/341388911.db2.gz OJELFNFEBHNAMF-NRFANRHFSA-N 1 3 324.468 3.766 20 0 DHADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CCC34CCCC4)C2)cc1 ZINC000249145986 341394608 /nfs/dbraw/zinc/39/46/08/341394608.db2.gz WVYNWQJSJBCMJV-UXHICEINSA-N 1 3 312.501 3.863 20 0 DHADHO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000249202779 341395366 /nfs/dbraw/zinc/39/53/66/341395366.db2.gz UMDJKPSXVHARST-NUJGCVRESA-N 1 3 318.480 3.999 20 0 DHADHO C[C@H](Cc1ccccc1F)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249202779 341395367 /nfs/dbraw/zinc/39/53/67/341395367.db2.gz UMDJKPSXVHARST-NUJGCVRESA-N 1 3 318.480 3.999 20 0 DHADHO C[C@H](Cc1ccccc1F)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249202779 341395368 /nfs/dbraw/zinc/39/53/68/341395368.db2.gz UMDJKPSXVHARST-NUJGCVRESA-N 1 3 318.480 3.999 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000249381140 341396859 /nfs/dbraw/zinc/39/68/59/341396859.db2.gz RHHLMWHVYRADMP-CVEARBPZSA-N 1 3 312.457 3.841 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000249381140 341396860 /nfs/dbraw/zinc/39/68/60/341396860.db2.gz RHHLMWHVYRADMP-CVEARBPZSA-N 1 3 312.457 3.841 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000249381140 341396861 /nfs/dbraw/zinc/39/68/61/341396861.db2.gz RHHLMWHVYRADMP-CVEARBPZSA-N 1 3 312.457 3.841 20 0 DHADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089215646 341402692 /nfs/dbraw/zinc/40/26/92/341402692.db2.gz CIQNGTJFRDCJMM-IERDGZPVSA-N 1 3 321.468 3.821 20 0 DHADHO C[C@@H]([NH2+]CC1CCCCC1)c1cccc(OCCN(C)C)c1 ZINC000552893958 341408121 /nfs/dbraw/zinc/40/81/21/341408121.db2.gz BFNGDXVREINUTL-MRXNPFEDSA-N 1 3 304.478 3.858 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)cc1 ZINC000554050300 341441840 /nfs/dbraw/zinc/44/18/40/341441840.db2.gz IGMVAXDVNNRVNA-QZTJIDSGSA-N 1 3 304.478 3.541 20 0 DHADHO COc1cc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)ccc1F ZINC000154446709 341589330 /nfs/dbraw/zinc/58/93/30/341589330.db2.gz DQUOLJGQCSPPGI-AWEZNQCLSA-N 1 3 316.420 3.747 20 0 DHADHO Cc1cccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000178041157 341941968 /nfs/dbraw/zinc/94/19/68/341941968.db2.gz ISDFNPZJDFOPKA-KURKYZTESA-N 1 3 304.478 3.535 20 0 DHADHO CC(C)N1CCC([NH2+]Cc2cccc(COC(C)(C)C)c2)CC1 ZINC000155930147 519673136 /nfs/dbraw/zinc/67/31/36/519673136.db2.gz OCJYNXPKVKRXLE-UHFFFAOYSA-N 1 3 318.505 3.964 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000365074367 519722793 /nfs/dbraw/zinc/72/27/93/519722793.db2.gz VYKBLOGTQSKZTO-FUMNGEBKSA-N 1 3 322.537 3.539 20 0 DHADHO CC(C)OC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000337327325 519770613 /nfs/dbraw/zinc/77/06/13/519770613.db2.gz DDCQIJRQSRCBOE-VOBGVNJCSA-N 1 3 316.489 3.585 20 0 DHADHO CC(C)OC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000337327325 519770614 /nfs/dbraw/zinc/77/06/14/519770614.db2.gz DDCQIJRQSRCBOE-VOBGVNJCSA-N 1 3 316.489 3.585 20 0 DHADHO CC(C)[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000181941428 519799152 /nfs/dbraw/zinc/79/91/52/519799152.db2.gz SZFIGZMWXGUUOO-SCLBCKFNSA-N 1 3 308.416 3.736 20 0 DHADHO CC(C)[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000181941428 519799153 /nfs/dbraw/zinc/79/91/53/519799153.db2.gz SZFIGZMWXGUUOO-SCLBCKFNSA-N 1 3 308.416 3.736 20 0 DHADHO CCC[C@@H](N)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000236788649 520724904 /nfs/dbraw/zinc/72/49/04/520724904.db2.gz KVRAZWYBDMQNKR-QGZVFWFLSA-N 1 3 317.477 3.517 20 0 DHADHO CCC[C@@H](N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000236788649 520724913 /nfs/dbraw/zinc/72/49/13/520724913.db2.gz KVRAZWYBDMQNKR-QGZVFWFLSA-N 1 3 317.477 3.517 20 0 DHADHO COCCC[NH+]1CCC(N[C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000159175527 523301823 /nfs/dbraw/zinc/30/18/23/523301823.db2.gz SSVNBMSUFWFMLS-JXFKEZNVSA-N 1 3 316.489 3.716 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2cccn2C)cc1 ZINC000161651540 524114653 /nfs/dbraw/zinc/11/46/53/524114653.db2.gz VUVAIISDPZBFGM-QGZVFWFLSA-N 1 3 311.473 3.689 20 0 DHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2cccn2C)cc1 ZINC000161651540 524114661 /nfs/dbraw/zinc/11/46/61/524114661.db2.gz VUVAIISDPZBFGM-QGZVFWFLSA-N 1 3 311.473 3.689 20 0 DHADHO Cc1ccccc1[C@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000162576247 525417430 /nfs/dbraw/zinc/41/74/30/525417430.db2.gz LWFQSHQBQIUANR-KRWDZBQOSA-N 1 3 312.457 3.786 20 0 DHADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccs1 ZINC000162556892 525535053 /nfs/dbraw/zinc/53/50/53/525535053.db2.gz NPLJVGQIEWDDCK-CQSZACIVSA-N 1 3 304.459 3.539 20 0 DHADHO C[C@H](c1ccc(OC(F)F)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265975311 526065873 /nfs/dbraw/zinc/06/58/73/526065873.db2.gz LSLUUAUDTJBPFV-ZIAGYGMSSA-N 1 3 312.404 3.623 20 0 DHADHO C[C@H](c1ccc(OC(F)F)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265975311 526065874 /nfs/dbraw/zinc/06/58/74/526065874.db2.gz LSLUUAUDTJBPFV-ZIAGYGMSSA-N 1 3 312.404 3.623 20 0 DHADHO Cc1cncc([C@H](C)[NH2+]C[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000363826004 526217479 /nfs/dbraw/zinc/21/74/79/526217479.db2.gz QAWMTEWASOHDJP-WSTZPKSXSA-N 1 3 323.484 3.951 20 0 DHADHO C[N@@H+]1CCC[C@@H](CNCc2cc(-c3ccccc3)cs2)C1 ZINC000044532506 1013100327 /nfs/dbraw/zinc/10/03/27/1013100327.db2.gz BZKOFAXJHGDFPP-HNNXBMFYSA-N 1 3 300.471 3.847 20 0 DHADHO C[N@H+]1CCC[C@@H](CNCc2cc(-c3ccccc3)cs2)C1 ZINC000044532506 1013100339 /nfs/dbraw/zinc/10/03/39/1013100339.db2.gz BZKOFAXJHGDFPP-HNNXBMFYSA-N 1 3 300.471 3.847 20 0 DHADHO c1ccc2c(c1)CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167965711 1013274264 /nfs/dbraw/zinc/27/42/64/1013274264.db2.gz LTKLSOWJRZHJGC-WVVQBRDUSA-N 1 3 310.485 3.539 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1cc(C)ccc1OC ZINC000093403329 1013317669 /nfs/dbraw/zinc/31/76/69/1013317669.db2.gz KXLUTFNJNDHGLY-WMZOPIPTSA-N 1 3 304.478 3.776 20 0 DHADHO c1oc2ccccc2c1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968843 1013361577 /nfs/dbraw/zinc/36/15/77/1013361577.db2.gz VXEACIREVSOXBA-YQQQUEKLSA-N 1 3 324.468 3.970 20 0 DHADHO c1oc2ccccc2c1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968843 1013361590 /nfs/dbraw/zinc/36/15/90/1013361590.db2.gz VXEACIREVSOXBA-YQQQUEKLSA-N 1 3 324.468 3.970 20 0 DHADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000340369288 1013523534 /nfs/dbraw/zinc/52/35/34/1013523534.db2.gz GRULIZJTFOSFLP-IRXDYDNUSA-N 1 3 316.489 3.716 20 0 DHADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000340369288 1013523542 /nfs/dbraw/zinc/52/35/42/1013523542.db2.gz GRULIZJTFOSFLP-IRXDYDNUSA-N 1 3 316.489 3.716 20 0 DHADHO CCC1([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000520269970 1013693510 /nfs/dbraw/zinc/69/35/10/1013693510.db2.gz HYXOEACQFFBVSW-FUHWJXTLSA-N 1 3 308.510 3.578 20 0 DHADHO C[N@H+](Cc1ccccc1CNC1CSC1)C1CCCCC1 ZINC000679840232 1013701714 /nfs/dbraw/zinc/70/17/14/1013701714.db2.gz AXLPWDQSFOPPNO-UHFFFAOYSA-N 1 3 304.503 3.656 20 0 DHADHO C[N@@H+](Cc1ccccc1CNC1CSC1)C1CCCCC1 ZINC000679840232 1013701723 /nfs/dbraw/zinc/70/17/23/1013701723.db2.gz AXLPWDQSFOPPNO-UHFFFAOYSA-N 1 3 304.503 3.656 20 0 DHADHO C1CC1[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000655788375 1013712053 /nfs/dbraw/zinc/71/20/53/1013712053.db2.gz IBEIZIQCGIDKOS-WOJBJXKFSA-N 1 3 320.521 3.721 20 0 DHADHO F[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000340525587 1013916867 /nfs/dbraw/zinc/91/68/67/1013916867.db2.gz WRZVNFWMQGANOV-JEQQUTEPSA-N 1 3 302.437 3.662 20 0 DHADHO Cc1ccncc1CCCNCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000580059256 1014010311 /nfs/dbraw/zinc/01/03/11/1014010311.db2.gz ZQZWUEHQTHIEJZ-IAGOWNOFSA-N 1 3 317.521 3.669 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2COCc2ccccc2)C1 ZINC000656193174 1014102031 /nfs/dbraw/zinc/10/20/31/1014102031.db2.gz WULPGBZGMDTTEP-NHCUHLMSSA-N 1 3 324.468 3.763 20 0 DHADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000125452231 1014115161 /nfs/dbraw/zinc/11/51/61/1014115161.db2.gz DMVWXYMWPAJVQZ-AWEZNQCLSA-N 1 3 318.461 3.938 20 0 DHADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000125452231 1014115163 /nfs/dbraw/zinc/11/51/63/1014115163.db2.gz DMVWXYMWPAJVQZ-AWEZNQCLSA-N 1 3 318.461 3.938 20 0 DHADHO CCCC[NH+](CCCC)CCCN[C@H]1CCc2ncsc2C1 ZINC001173127075 1033559094 /nfs/dbraw/zinc/55/90/94/1033559094.db2.gz UMBXFJKULHGLGY-INIZCTEOSA-N 1 3 323.550 3.882 20 0 DHADHO C[C@@H](CCC(F)(F)F)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253904 1014567871 /nfs/dbraw/zinc/56/78/71/1014567871.db2.gz CGYNEILMQCYGFQ-NILFDRSVSA-N 1 3 318.358 3.592 20 0 DHADHO COc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000065976604 1014615711 /nfs/dbraw/zinc/61/57/11/1014615711.db2.gz FJWLCIGMMDDRPZ-UHFFFAOYSA-N 1 3 312.457 3.825 20 0 DHADHO COc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000065976604 1014615717 /nfs/dbraw/zinc/61/57/17/1014615717.db2.gz FJWLCIGMMDDRPZ-UHFFFAOYSA-N 1 3 312.457 3.825 20 0 DHADHO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116548 1014648378 /nfs/dbraw/zinc/64/83/78/1014648378.db2.gz PJDDYLPOHOFYBJ-XJKSGUPXSA-N 1 3 307.507 3.573 20 0 DHADHO C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116548 1014648383 /nfs/dbraw/zinc/64/83/83/1014648383.db2.gz PJDDYLPOHOFYBJ-XJKSGUPXSA-N 1 3 307.507 3.573 20 0 DHADHO CC(C)[N@H+](C)C[C@@H](O)CN(CC1CCC1)[C@H](C)c1ccccc1 ZINC001167454422 1014704759 /nfs/dbraw/zinc/70/47/59/1014704759.db2.gz WABPZEZMJWQVOO-YLJYHZDGSA-N 1 3 318.505 3.551 20 0 DHADHO CC(C)[N@@H+](C)C[C@@H](O)CN(CC1CCC1)[C@H](C)c1ccccc1 ZINC001167454422 1014704768 /nfs/dbraw/zinc/70/47/68/1014704768.db2.gz WABPZEZMJWQVOO-YLJYHZDGSA-N 1 3 318.505 3.551 20 0 DHADHO CO[C@H]1CCCC[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000442807406 1014732974 /nfs/dbraw/zinc/73/29/74/1014732974.db2.gz DWZHABNFNLEAPG-BVBHFADKSA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)[NH+](CCCN[C@H]1Cc2[nH]c3ccccc3c2C1)C(C)C ZINC000442794310 1014736126 /nfs/dbraw/zinc/73/61/26/1014736126.db2.gz RUPDHAOMPCQQPR-MRXNPFEDSA-N 1 3 313.489 3.734 20 0 DHADHO CC(C)CCN1CCC([NH2+][C@H](CCCO)c2ccccc2)CC1 ZINC000925121427 1014785744 /nfs/dbraw/zinc/78/57/44/1014785744.db2.gz DPUSCQJEDHAHRW-HXUWFJFHSA-N 1 3 318.505 3.600 20 0 DHADHO CCCN(CCC[NH+](C)C)Cc1cccc(-c2ccncc2)c1 ZINC000349406448 1014787412 /nfs/dbraw/zinc/78/74/12/1014787412.db2.gz LMQRQSQQFVPBPR-UHFFFAOYSA-N 1 3 311.473 3.912 20 0 DHADHO C[C@H](CN(C)CCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000522034911 1014867276 /nfs/dbraw/zinc/86/72/76/1014867276.db2.gz HCXSQFNIUWOPDC-CYBMUJFWSA-N 1 3 302.384 3.692 20 0 DHADHO C[NH+](C)CC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000341179816 1014962782 /nfs/dbraw/zinc/96/27/82/1014962782.db2.gz CXBOICIQJFUWDX-UHFFFAOYSA-N 1 3 317.864 3.662 20 0 DHADHO COc1ccc2cc(C[N@@H+]3CCC[C@@H]4CN(C)CC[C@@H]43)ccc2c1 ZINC000581575548 1015005763 /nfs/dbraw/zinc/00/57/63/1015005763.db2.gz VJEUKIGCHYZTCQ-CTNGQTDRSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(C[N@H+]3CCC[C@@H]4CN(C)CC[C@@H]43)ccc2c1 ZINC000581575548 1015005773 /nfs/dbraw/zinc/00/57/73/1015005773.db2.gz VJEUKIGCHYZTCQ-CTNGQTDRSA-N 1 3 324.468 3.765 20 0 DHADHO CC(C)[C@@H](CN1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000474106219 1015024777 /nfs/dbraw/zinc/02/47/77/1015024777.db2.gz MVSNGLKBEHBKOB-HXUWFJFHSA-N 1 3 300.490 3.986 20 0 DHADHO CCCc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000443677653 1015106057 /nfs/dbraw/zinc/10/60/57/1015106057.db2.gz YNGWZDPXMANNIG-DLBZAZTESA-N 1 3 309.457 3.648 20 0 DHADHO CCCc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000443677653 1015106061 /nfs/dbraw/zinc/10/60/61/1015106061.db2.gz YNGWZDPXMANNIG-DLBZAZTESA-N 1 3 309.457 3.648 20 0 DHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCc1cccc(N)c1 ZINC000656787775 1015163015 /nfs/dbraw/zinc/16/30/15/1015163015.db2.gz UUSNQWWTBPABBG-UHFFFAOYSA-N 1 3 311.473 3.517 20 0 DHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1cccc(N)c1 ZINC000656787775 1015163021 /nfs/dbraw/zinc/16/30/21/1015163021.db2.gz UUSNQWWTBPABBG-UHFFFAOYSA-N 1 3 311.473 3.517 20 0 DHADHO Cc1cccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000178041135 1017152375 /nfs/dbraw/zinc/15/23/75/1017152375.db2.gz ISDFNPZJDFOPKA-KSZLIROESA-N 1 3 304.478 3.535 20 0 DHADHO Cc1ccc([C@@H](N[C@@H](C)C2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000684557812 1015737392 /nfs/dbraw/zinc/73/73/92/1015737392.db2.gz JDXQZHVATBMXRC-LAUBAEHRSA-N 1 3 323.484 3.799 20 0 DHADHO COc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000132242270 1016075205 /nfs/dbraw/zinc/07/52/05/1016075205.db2.gz OUBMUDRVAROVQV-UHFFFAOYSA-N 1 3 316.489 3.624 20 0 DHADHO COc1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000132242270 1016075214 /nfs/dbraw/zinc/07/52/14/1016075214.db2.gz OUBMUDRVAROVQV-UHFFFAOYSA-N 1 3 316.489 3.624 20 0 DHADHO FC(F)Oc1cccc(Cl)c1CNCCC[C@@H]1CCC[NH2+]1 ZINC000666902434 1032140012 /nfs/dbraw/zinc/14/00/12/1032140012.db2.gz WROQFKWGASDXCU-LLVKDONJSA-N 1 3 318.795 3.563 20 0 DHADHO CC1CC[NH+](CCCCNCc2ccc(F)c(F)c2F)CC1 ZINC000657311985 1016294732 /nfs/dbraw/zinc/29/47/32/1016294732.db2.gz ARGDCBHNPBLQOM-UHFFFAOYSA-N 1 3 314.395 3.706 20 0 DHADHO Cc1nc(C)c([C@H](C)NCc2ccc(C[NH+](C)C)cc2)s1 ZINC000171129984 1016536357 /nfs/dbraw/zinc/53/63/57/1016536357.db2.gz QQYPPKYYNKGZAQ-LBPRGKRZSA-N 1 3 303.475 3.672 20 0 DHADHO Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCCO2 ZINC000152376853 1016574620 /nfs/dbraw/zinc/57/46/20/1016574620.db2.gz HCMBQCIZDYVTGR-GUYCJALGSA-N 1 3 320.864 3.628 20 0 DHADHO [NH3+]C[C@@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000347041410 1016709009 /nfs/dbraw/zinc/70/90/09/1016709009.db2.gz KULGLQXGAALTOD-ZDUSSCGKSA-N 1 3 304.434 3.725 20 0 DHADHO CC[NH2+]CC1CCN(Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC000347161654 1016766846 /nfs/dbraw/zinc/76/68/46/1016766846.db2.gz HFSPRGYFSVPBNF-UHFFFAOYSA-N 1 3 319.474 3.533 20 0 DHADHO CC[C@H](C(=O)Nc1ccc(C[NH+](CC)CC)cc1)N(CC)CC ZINC000347232441 1016798581 /nfs/dbraw/zinc/79/85/81/1016798581.db2.gz MQXAOQDAPACYOR-GOSISDBHSA-N 1 3 319.493 3.587 20 0 DHADHO CC(C)OCc1ccccc1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623347183 1016975389 /nfs/dbraw/zinc/97/53/89/1016975389.db2.gz RABKRHBBEKJVLR-SFHVURJKSA-N 1 3 304.478 3.574 20 0 DHADHO Fc1cccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000380075410 1017017842 /nfs/dbraw/zinc/01/78/42/1017017842.db2.gz CWEXMVOZTWICJE-UXHICEINSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1cccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000380075410 1017017851 /nfs/dbraw/zinc/01/78/51/1017017851.db2.gz CWEXMVOZTWICJE-UXHICEINSA-N 1 3 324.443 3.780 20 0 DHADHO C[C@H](CCNCc1cccc2n[nH]cc21)[N@H+](C)Cc1ccccc1 ZINC000623438332 1017039204 /nfs/dbraw/zinc/03/92/04/1017039204.db2.gz VYYCNDPHDOMFRZ-MRXNPFEDSA-N 1 3 322.456 3.563 20 0 DHADHO C[C@H](CCNCc1cccc2n[nH]cc21)[N@@H+](C)Cc1ccccc1 ZINC000623438332 1017039220 /nfs/dbraw/zinc/03/92/20/1017039220.db2.gz VYYCNDPHDOMFRZ-MRXNPFEDSA-N 1 3 322.456 3.563 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCCOc2c(C)cccc2C)C[C@H]1C ZINC001167589887 1017041032 /nfs/dbraw/zinc/04/10/32/1017041032.db2.gz JPOZMWFXNWHTRT-MOPGFXCFSA-N 1 3 318.505 3.877 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCCOc2c(C)cccc2C)C[C@H]1C ZINC001167589887 1017041037 /nfs/dbraw/zinc/04/10/37/1017041037.db2.gz JPOZMWFXNWHTRT-MOPGFXCFSA-N 1 3 318.505 3.877 20 0 DHADHO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(OC)cc1 ZINC000361972743 1032178801 /nfs/dbraw/zinc/17/88/01/1032178801.db2.gz TZZWGKZZVLBWOF-LMMKCTJWSA-N 1 3 304.478 3.999 20 0 DHADHO C[NH+](C)C1CCC(N2Cc3cccc(Br)c3C2)CC1 ZINC001168324371 1032271802 /nfs/dbraw/zinc/27/18/02/1032271802.db2.gz MXQRKFHCXUVGHA-UHFFFAOYSA-N 1 3 323.278 3.638 20 0 DHADHO CC1(C)CC([NH3+])CC(C)(C)N1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171340082 1032449579 /nfs/dbraw/zinc/44/95/79/1032449579.db2.gz HQBNBULWDJOXNC-HNNXBMFYSA-N 1 3 322.443 3.802 20 0 DHADHO COc1cc([C@@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)c(F)cn1 ZINC000348098257 1032460611 /nfs/dbraw/zinc/46/06/11/1032460611.db2.gz AEJLMHZSGOXFOC-LSDHHAIUSA-N 1 3 323.456 3.535 20 0 DHADHO COc1cc([C@@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)c(F)cn1 ZINC000348098257 1032460618 /nfs/dbraw/zinc/46/06/18/1032460618.db2.gz AEJLMHZSGOXFOC-LSDHHAIUSA-N 1 3 323.456 3.535 20 0 DHADHO Cc1ncccc1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000093844588 1032560046 /nfs/dbraw/zinc/56/00/46/1032560046.db2.gz HZOJOSDJRLIZIQ-KRWDZBQOSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1ncccc1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000093844588 1032560051 /nfs/dbraw/zinc/56/00/51/1032560051.db2.gz HZOJOSDJRLIZIQ-KRWDZBQOSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000281295270 1012329854 /nfs/dbraw/zinc/32/98/54/1012329854.db2.gz QSMLNDJXLDLBQY-QZTJIDSGSA-N 1 3 303.494 3.736 20 0 DHADHO Cc1ccc(C)c(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167958704 1012468175 /nfs/dbraw/zinc/46/81/75/1012468175.db2.gz IWSYQZHTGSSGNM-SEJPIABJSA-N 1 3 312.501 3.841 20 0 DHADHO Cc1ccc(C)c(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167958704 1012468179 /nfs/dbraw/zinc/46/81/79/1012468179.db2.gz IWSYQZHTGSSGNM-SEJPIABJSA-N 1 3 312.501 3.841 20 0 DHADHO CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000425376721 1012511080 /nfs/dbraw/zinc/51/10/80/1012511080.db2.gz FQBPDMWOGJARNA-GUDVDZBRSA-N 1 3 318.530 3.772 20 0 DHADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000037141002 1012836442 /nfs/dbraw/zinc/83/64/42/1012836442.db2.gz JWXSYZMTEYDXSS-LBPRGKRZSA-N 1 3 323.278 3.727 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc(COCc3ccccc3)c2)C1 ZINC000516877774 1012854381 /nfs/dbraw/zinc/85/43/81/1012854381.db2.gz LZNDKGGKMJUWMF-RTWAWAEBSA-N 1 3 324.468 3.763 20 0 DHADHO COc1ccccc1[C@H]([NH2+]C[C@H](C)CN(C)C)C1CCCC1 ZINC000425921460 1012955167 /nfs/dbraw/zinc/95/51/67/1012955167.db2.gz LPXWCAUYYLOQTE-HNAYVOBHSA-N 1 3 304.478 3.714 20 0 DHADHO COc1cc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc2ccccc21 ZINC000925143126 1017262875 /nfs/dbraw/zinc/26/28/75/1017262875.db2.gz QMGNHOKWLDEIFD-RVKKMQEKSA-N 1 3 312.457 3.982 20 0 DHADHO COc1cc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc2ccccc21 ZINC000925143126 1017262881 /nfs/dbraw/zinc/26/28/81/1017262881.db2.gz QMGNHOKWLDEIFD-RVKKMQEKSA-N 1 3 312.457 3.982 20 0 DHADHO CC(C)c1ccc(CCNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000475555101 1017426440 /nfs/dbraw/zinc/42/64/40/1017426440.db2.gz KKQCOKUHCSVSBI-UHFFFAOYSA-N 1 3 300.490 3.959 20 0 DHADHO CSCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716679643 1032702335 /nfs/dbraw/zinc/70/23/35/1032702335.db2.gz FHTJVZVVZVIWEL-OTWHNJEPSA-N 1 3 318.530 3.772 20 0 DHADHO c1ccc(SC2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339068622 1017532845 /nfs/dbraw/zinc/53/28/45/1017532845.db2.gz RVDDNQVUVXLEKJ-CVEARBPZSA-N 1 3 302.487 3.528 20 0 DHADHO c1ccc(SC2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339068622 1017532855 /nfs/dbraw/zinc/53/28/55/1017532855.db2.gz RVDDNQVUVXLEKJ-CVEARBPZSA-N 1 3 302.487 3.528 20 0 DHADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@@H](C)C1 ZINC000657613518 1017571478 /nfs/dbraw/zinc/57/14/78/1017571478.db2.gz MHTUPSRGKDSOSQ-YRWFTTLQSA-N 1 3 315.505 3.708 20 0 DHADHO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCN1CCCCC1 ZINC000444609211 1017588795 /nfs/dbraw/zinc/58/87/95/1017588795.db2.gz ASKZHLRLIYHQCX-CRAIPNDOSA-N 1 3 324.896 3.882 20 0 DHADHO CN1CCCC[C@@H]1CC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528575259 1017911302 /nfs/dbraw/zinc/91/13/02/1017911302.db2.gz RJHYUUPQCFNKRA-QGZVFWFLSA-N 1 3 320.452 3.543 20 0 DHADHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000153837020 1018040499 /nfs/dbraw/zinc/04/04/99/1018040499.db2.gz ADYSEPOSYGMCRJ-UHFFFAOYSA-N 1 3 323.484 3.734 20 0 DHADHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000153837020 1018040511 /nfs/dbraw/zinc/04/05/11/1018040511.db2.gz ADYSEPOSYGMCRJ-UHFFFAOYSA-N 1 3 323.484 3.734 20 0 DHADHO Cc1ccc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000154003399 1018093466 /nfs/dbraw/zinc/09/34/66/1018093466.db2.gz BHXJBTOCWKUKBS-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1ccc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000154003399 1018093482 /nfs/dbraw/zinc/09/34/82/1018093482.db2.gz BHXJBTOCWKUKBS-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CCc2ccnc3ccccc23)CC1 ZINC000658127288 1018111063 /nfs/dbraw/zinc/11/10/63/1018111063.db2.gz MFASRNDKHMESTK-UHFFFAOYSA-N 1 3 311.473 3.630 20 0 DHADHO C[C@H]([NH2+]CCCc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185747562 1018129014 /nfs/dbraw/zinc/12/90/14/1018129014.db2.gz ZFAZSRXZKBXQLT-PKOBYXMFSA-N 1 3 300.490 3.862 20 0 DHADHO CSc1ccc(Cl)cc1CN1CCC(C[NH+](C)C)CC1 ZINC001238674499 1018157827 /nfs/dbraw/zinc/15/78/27/1018157827.db2.gz UEYODSVCHSBTLZ-UHFFFAOYSA-N 1 3 312.910 3.836 20 0 DHADHO CCC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCC1 ZINC000658163881 1018196599 /nfs/dbraw/zinc/19/65/99/1018196599.db2.gz LPMWWNQFAKZYMU-FQEVSTJZSA-N 1 3 315.505 3.852 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000446816803 1018254131 /nfs/dbraw/zinc/25/41/31/1018254131.db2.gz DYKQKPQODLPRAN-BXWFABGCSA-N 1 3 322.468 3.756 20 0 DHADHO COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080339073 1018451280 /nfs/dbraw/zinc/45/12/80/1018451280.db2.gz WJUGKZITVVJDRZ-XLIONFOSSA-N 1 3 324.468 3.838 20 0 DHADHO COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080339073 1018451284 /nfs/dbraw/zinc/45/12/84/1018451284.db2.gz WJUGKZITVVJDRZ-XLIONFOSSA-N 1 3 324.468 3.838 20 0 DHADHO C[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000447822528 1018478987 /nfs/dbraw/zinc/47/89/87/1018478987.db2.gz QDDFCYQZJGPYJM-TZIWHRDSSA-N 1 3 322.496 3.944 20 0 DHADHO c1ccc2c(c1)SCC[C@@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635007417 1018507737 /nfs/dbraw/zinc/50/77/37/1018507737.db2.gz DBDFUVPZBUNEGJ-SFHVURJKSA-N 1 3 310.466 3.659 20 0 DHADHO Cc1nc2ccc(CN3CCC[C@@H](C)[C@@H]3CC[NH3+])cc2s1 ZINC000650712078 1018540097 /nfs/dbraw/zinc/54/00/97/1018540097.db2.gz PTAZKIWLDJUFAO-WBMJQRKESA-N 1 3 303.475 3.554 20 0 DHADHO C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000647299433 1018568368 /nfs/dbraw/zinc/56/83/68/1018568368.db2.gz GUFVAIXUVMGQIF-UONOGXRCSA-N 1 3 300.437 3.807 20 0 DHADHO Cc1cccc2c1CC[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001171556060 1032775004 /nfs/dbraw/zinc/77/50/04/1032775004.db2.gz AEYNZKUVLOCPFM-LJQANCHMSA-N 1 3 312.501 3.849 20 0 DHADHO CC[NH+]1CCC(N[C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000675812097 1018599118 /nfs/dbraw/zinc/59/91/18/1018599118.db2.gz HIGBSVDYIGCYCV-LJQANCHMSA-N 1 3 301.478 3.777 20 0 DHADHO C[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccncc1 ZINC000675927523 1018627994 /nfs/dbraw/zinc/62/79/94/1018627994.db2.gz HOJTWMULWZBJHL-SQGPQFPESA-N 1 3 315.505 3.818 20 0 DHADHO c1cc2cccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2s1 ZINC000650740836 1018628409 /nfs/dbraw/zinc/62/84/09/1018628409.db2.gz SGXHLYOCUJCYAM-YESZJQIVSA-N 1 3 300.471 3.912 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@H]1CSCCc2ccccc21 ZINC000650757558 1018690757 /nfs/dbraw/zinc/69/07/57/1018690757.db2.gz ZWVURCVQVXETMH-IBGZPJMESA-N 1 3 312.482 3.526 20 0 DHADHO C[NH+](C)CCOc1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC000676414299 1018725967 /nfs/dbraw/zinc/72/59/67/1018725967.db2.gz SOJSHZGEAMKXGG-FQEVSTJZSA-N 1 3 310.441 3.574 20 0 DHADHO Cc1cccc2c1CC[C@@H](N1CCC([NH3+])(c3ccccc3)CC1)C2 ZINC001171559320 1032781578 /nfs/dbraw/zinc/78/15/78/1032781578.db2.gz ZYHSGBQZXBPKKI-HXUWFJFHSA-N 1 3 320.480 3.802 20 0 DHADHO NCCC[N@H+]([C@@H]1Cc2cccc(Cl)c2C1)C1CCCCC1 ZINC001168685400 1018974332 /nfs/dbraw/zinc/97/43/32/1018974332.db2.gz PKGSPCKYGXSYQD-MRXNPFEDSA-N 1 3 306.881 3.791 20 0 DHADHO NCCC[N@@H+]([C@@H]1Cc2cccc(Cl)c2C1)C1CCCCC1 ZINC001168685400 1018974343 /nfs/dbraw/zinc/97/43/43/1018974343.db2.gz PKGSPCKYGXSYQD-MRXNPFEDSA-N 1 3 306.881 3.791 20 0 DHADHO CN(C)[C@@H](CNC1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccccc1 ZINC001171619290 1032801557 /nfs/dbraw/zinc/80/15/57/1032801557.db2.gz IKFOWWMLBUZJBP-SFHVURJKSA-N 1 3 317.521 3.530 20 0 DHADHO CCCN1CCC([NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000387016588 1019038563 /nfs/dbraw/zinc/03/85/63/1019038563.db2.gz HSJUFWQGJATTBP-CYBMUJFWSA-N 1 3 312.404 3.813 20 0 DHADHO C[NH+]1C(C)(C)CC(N[C@@H]2C[C@H]2c2ccc(F)cc2)CC1(C)C ZINC001171624527 1032805908 /nfs/dbraw/zinc/80/59/08/1032805908.db2.gz VGFCVKWHXDJUEU-DLBZAZTESA-N 1 3 304.453 3.923 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@@H]2C[C@H]2c2ccc(F)cc2)CC1(C)C ZINC001171624527 1032805919 /nfs/dbraw/zinc/80/59/19/1032805919.db2.gz VGFCVKWHXDJUEU-DLBZAZTESA-N 1 3 304.453 3.923 20 0 DHADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171624119 1032806213 /nfs/dbraw/zinc/80/62/13/1032806213.db2.gz NDUUNMOBKALREI-HNNXBMFYSA-N 1 3 318.505 3.954 20 0 DHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCSCC1 ZINC000708511464 1019098739 /nfs/dbraw/zinc/09/87/39/1019098739.db2.gz OGZRDASMRPATFX-NEWSRXKRSA-N 1 3 318.530 3.630 20 0 DHADHO CN1C(C)(C)CC([NH2+]C2CC(C)(C)OC(C)(C)C2)CC1(C)C ZINC001171624111 1032807986 /nfs/dbraw/zinc/80/79/86/1032807986.db2.gz MYYBJLKEKJJCRS-UHFFFAOYSA-N 1 3 310.526 3.964 20 0 DHADHO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666995305 1032808026 /nfs/dbraw/zinc/80/80/26/1032808026.db2.gz JXSVJMBSFHPUIA-BZSNNMDCSA-N 1 3 302.437 3.726 20 0 DHADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995074 1032808873 /nfs/dbraw/zinc/80/88/73/1032808873.db2.gz CCNWDAGINOBPSU-STQMWFEESA-N 1 3 312.910 3.987 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657843116 1019128909 /nfs/dbraw/zinc/12/89/09/1019128909.db2.gz FACGVYANTZIALI-UONOGXRCSA-N 1 3 303.475 3.679 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657843116 1019128914 /nfs/dbraw/zinc/12/89/14/1019128914.db2.gz FACGVYANTZIALI-UONOGXRCSA-N 1 3 303.475 3.679 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657843116 1019128923 /nfs/dbraw/zinc/12/89/23/1019128923.db2.gz FACGVYANTZIALI-UONOGXRCSA-N 1 3 303.475 3.679 20 0 DHADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(C(F)F)nc1 ZINC000657846811 1019150340 /nfs/dbraw/zinc/15/03/40/1019150340.db2.gz SQENKXCZVPTCFQ-LBPRGKRZSA-N 1 3 309.404 3.544 20 0 DHADHO [NH3+]CC[C@@H]1CCN(Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000923480503 1019231176 /nfs/dbraw/zinc/23/11/76/1019231176.db2.gz HVVFSJQYHFUCDF-LLVKDONJSA-N 1 3 324.255 3.712 20 0 DHADHO Cc1ccccc1CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708538849 1019254560 /nfs/dbraw/zinc/25/45/60/1019254560.db2.gz IGEOKYILPHQRAA-NQIIRXRSSA-N 1 3 308.469 3.853 20 0 DHADHO Cc1ccccc1CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708538849 1019254568 /nfs/dbraw/zinc/25/45/68/1019254568.db2.gz IGEOKYILPHQRAA-NQIIRXRSSA-N 1 3 308.469 3.853 20 0 DHADHO Cc1ccccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000708538849 1019254575 /nfs/dbraw/zinc/25/45/75/1019254575.db2.gz IGEOKYILPHQRAA-NQIIRXRSSA-N 1 3 308.469 3.853 20 0 DHADHO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090218293 1019384222 /nfs/dbraw/zinc/38/42/22/1019384222.db2.gz NIIOQUMNZYDOSD-PXNSSMCTSA-N 1 3 322.537 3.824 20 0 DHADHO CCOCCC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000090722991 1019413685 /nfs/dbraw/zinc/41/36/85/1019413685.db2.gz JDDFAUKZEJKAAS-UHFFFAOYSA-N 1 3 308.510 3.580 20 0 DHADHO C[NH+](C)CCCC1CCN(Cc2scnc2C2CC2)CC1 ZINC000494980675 1019570515 /nfs/dbraw/zinc/57/05/15/1019570515.db2.gz PALPOACYGCXELB-UHFFFAOYSA-N 1 3 307.507 3.574 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C(C)(C)C(F)F ZINC000657868506 1019593264 /nfs/dbraw/zinc/59/32/64/1019593264.db2.gz UUSSWMXRDOHBLZ-DOTOQJQBSA-N 1 3 324.459 3.820 20 0 DHADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166068 1020198532 /nfs/dbraw/zinc/19/85/32/1020198532.db2.gz MGWTUILTCMPOIW-PMACEKPBSA-N 1 3 315.505 3.708 20 0 DHADHO C[C@@H]1CCCCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165224 1020198629 /nfs/dbraw/zinc/19/86/29/1020198629.db2.gz QGXWFEHCHLQZLL-XLIONFOSSA-N 1 3 315.505 3.852 20 0 DHADHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166373 1020199742 /nfs/dbraw/zinc/19/97/42/1020199742.db2.gz UQXGSCURZPBZAF-OALUTQOASA-N 1 3 315.505 3.708 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@]2(C)CC2(F)F)CC1 ZINC000658217993 1020244395 /nfs/dbraw/zinc/24/43/95/1020244395.db2.gz IGNRXUGCFYGQKC-BMFZPTHFSA-N 1 3 300.437 3.664 20 0 DHADHO Clc1cc(Cl)cc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166338141 1020259193 /nfs/dbraw/zinc/25/91/93/1020259193.db2.gz QCQLIVYBLPSWPX-HZPDHXFCSA-N 1 3 313.272 3.752 20 0 DHADHO Clc1cc(Cl)cc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166338141 1020259200 /nfs/dbraw/zinc/25/92/00/1020259200.db2.gz QCQLIVYBLPSWPX-HZPDHXFCSA-N 1 3 313.272 3.752 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3C(C)(C)C3(F)F)CC2)C1 ZINC000658283931 1020282518 /nfs/dbraw/zinc/28/25/18/1020282518.db2.gz XHNBFWGNHLTSLW-FVQBIDKESA-N 1 3 314.464 3.910 20 0 DHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@@H]1CCCN1C ZINC001171960444 1032930080 /nfs/dbraw/zinc/93/00/80/1032930080.db2.gz ZOQRNUOYVADPAV-BBRMVZONSA-N 1 3 314.395 3.710 20 0 DHADHO CCCC[N@H+](C)CCN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000163510703 1020856601 /nfs/dbraw/zinc/85/66/01/1020856601.db2.gz AZEFJRAWBPMCEX-INIZCTEOSA-N 1 3 314.477 3.563 20 0 DHADHO CCCC[N@@H+](C)CCN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000163510703 1020856608 /nfs/dbraw/zinc/85/66/08/1020856608.db2.gz AZEFJRAWBPMCEX-INIZCTEOSA-N 1 3 314.477 3.563 20 0 DHADHO C[C@@H]1C[C@@H](NCc2cn(C(F)F)c3ccccc23)CC[N@@H+]1C ZINC000858537837 1032938272 /nfs/dbraw/zinc/93/82/72/1032938272.db2.gz XZABJOZWMCZYFD-OCCSQVGLSA-N 1 3 307.388 3.609 20 0 DHADHO C[C@@H]1C[C@@H](NCc2cn(C(F)F)c3ccccc23)CC[N@H+]1C ZINC000858537837 1032938287 /nfs/dbraw/zinc/93/82/87/1032938287.db2.gz XZABJOZWMCZYFD-OCCSQVGLSA-N 1 3 307.388 3.609 20 0 DHADHO CC(C)(C)O[C@@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000414123889 1020915658 /nfs/dbraw/zinc/91/56/58/1020915658.db2.gz BRUHCRNSZXMHGO-BHUNQDJPSA-N 1 3 308.510 3.575 20 0 DHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)OCC3CC3)CC2)C1 ZINC000414269502 1021048018 /nfs/dbraw/zinc/04/80/18/1021048018.db2.gz OPBXFGHWLNPWNI-LPHOPBHVSA-N 1 3 322.537 3.824 20 0 DHADHO COC1([C@H](C)NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000414308959 1021080347 /nfs/dbraw/zinc/08/03/47/1021080347.db2.gz QWZVHUWJSRRCOU-XYJFISCASA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H]1C[C@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000414341595 1021111175 /nfs/dbraw/zinc/11/11/75/1021111175.db2.gz OMJOKIKBBBPWGY-JCHJZTRSSA-N 1 3 310.441 3.778 20 0 DHADHO C[C@H]1C[C@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000414341595 1021111188 /nfs/dbraw/zinc/11/11/88/1021111188.db2.gz OMJOKIKBBBPWGY-JCHJZTRSSA-N 1 3 310.441 3.778 20 0 DHADHO Cc1cc(Br)cc2c1[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423358636 1021187243 /nfs/dbraw/zinc/18/72/43/1021187243.db2.gz CBMWUDHEDZIAII-QLFBSQMISA-N 1 3 323.278 3.604 20 0 DHADHO CCOc1ccc([C@H](CC)N[C@@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000423383056 1021193669 /nfs/dbraw/zinc/19/36/69/1021193669.db2.gz KIGMSSYKNRUVRL-BBWFWOEESA-N 1 3 320.477 3.795 20 0 DHADHO COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)C2CC2)cc1 ZINC000091367780 1021279952 /nfs/dbraw/zinc/27/99/52/1021279952.db2.gz NAPKGBZFALKERV-YQVWRLOYSA-N 1 3 302.462 3.609 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743399068 1021285358 /nfs/dbraw/zinc/28/53/58/1021285358.db2.gz KBZLIELRVLRYCJ-HNNXBMFYSA-N 1 3 315.486 3.602 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743399068 1021285363 /nfs/dbraw/zinc/28/53/63/1021285363.db2.gz KBZLIELRVLRYCJ-HNNXBMFYSA-N 1 3 315.486 3.602 20 0 DHADHO C[C@@H]1C[N@@H+]([C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)[C@@H](C)CO1 ZINC001171986196 1032972309 /nfs/dbraw/zinc/97/23/09/1032972309.db2.gz GJWRQOAZSGVJCP-YQVWRLOYSA-N 1 3 316.489 3.539 20 0 DHADHO C[C@@H]1C[N@H+]([C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)[C@@H](C)CO1 ZINC001171986196 1032972313 /nfs/dbraw/zinc/97/23/13/1032972313.db2.gz GJWRQOAZSGVJCP-YQVWRLOYSA-N 1 3 316.489 3.539 20 0 DHADHO CCO[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCC2 ZINC000166149556 1021389040 /nfs/dbraw/zinc/38/90/40/1021389040.db2.gz JEYPXAAJMKUYFQ-OALUTQOASA-N 1 3 320.521 3.721 20 0 DHADHO CCO[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000166149556 1021389057 /nfs/dbraw/zinc/38/90/57/1021389057.db2.gz JEYPXAAJMKUYFQ-OALUTQOASA-N 1 3 320.521 3.721 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1Cl ZINC000624120572 1021391153 /nfs/dbraw/zinc/39/11/53/1021391153.db2.gz BTPFQHHCLKGFTE-UONOGXRCSA-N 1 3 310.869 3.731 20 0 DHADHO CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1F ZINC000624120569 1021393319 /nfs/dbraw/zinc/39/33/19/1021393319.db2.gz BRWCCZRTOPAQDW-ZIAGYGMSSA-N 1 3 310.482 3.930 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000538059161 1032980903 /nfs/dbraw/zinc/98/09/03/1032980903.db2.gz NTVIBXNHXDDEEG-BEFAXECRSA-N 1 3 304.453 3.988 20 0 DHADHO CN(C)CC(C)(C)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000129417812 1021483830 /nfs/dbraw/zinc/48/38/30/1021483830.db2.gz WEIZKZYDXACQGT-UHFFFAOYSA-N 1 3 306.347 3.522 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000572546969 1021499752 /nfs/dbraw/zinc/49/97/52/1021499752.db2.gz UFNUVJYXYNNAAF-RDTXWAMCSA-N 1 3 306.881 3.593 20 0 DHADHO CSCCN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172090678 1032986290 /nfs/dbraw/zinc/98/62/90/1032986290.db2.gz VYUCTJOHTOCKHB-BWTSREIZSA-N 1 3 318.530 3.867 20 0 DHADHO CSCCN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172090678 1032986316 /nfs/dbraw/zinc/98/63/16/1032986316.db2.gz VYUCTJOHTOCKHB-BWTSREIZSA-N 1 3 318.530 3.867 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc2c(c1)CCO2 ZINC000125800669 1032987015 /nfs/dbraw/zinc/98/70/15/1032987015.db2.gz SBBHEAALAJAQIA-APWZRJJASA-N 1 3 316.489 3.783 20 0 DHADHO C[C@@H]1CCCCN1Cc1cncc(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000556192477 1021599844 /nfs/dbraw/zinc/59/98/44/1021599844.db2.gz BLONXECEVCZRGF-IAGOWNOFSA-N 1 3 301.478 3.830 20 0 DHADHO C[C@@H]1CCCCN1Cc1cncc(C[N@H+]2CCCC[C@H]2C)c1 ZINC000556192477 1021599857 /nfs/dbraw/zinc/59/98/57/1021599857.db2.gz BLONXECEVCZRGF-IAGOWNOFSA-N 1 3 301.478 3.830 20 0 DHADHO Nc1cc(NC2CC[NH+](C3CCCCC3)CC2)c(Cl)cn1 ZINC000892778313 1021613138 /nfs/dbraw/zinc/61/31/38/1021613138.db2.gz JSSGPMUQRRWLDX-UHFFFAOYSA-N 1 3 308.857 3.526 20 0 DHADHO CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000125845347 1032999764 /nfs/dbraw/zinc/99/97/64/1032999764.db2.gz WFXWNFRPWOSFEL-SJORKVTESA-N 1 3 304.478 3.856 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCCc3c(F)cccc31)C2 ZINC001172109512 1033008419 /nfs/dbraw/zinc/00/84/19/1033008419.db2.gz HISJXDJCYMOHIX-BKEDOTJMSA-N 1 3 302.437 3.808 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCCc3c(F)cccc31)C2 ZINC001172109512 1033008433 /nfs/dbraw/zinc/00/84/33/1033008433.db2.gz HISJXDJCYMOHIX-BKEDOTJMSA-N 1 3 302.437 3.808 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](c1cccc(F)c1)C1CC1)C2 ZINC001172110692 1033013775 /nfs/dbraw/zinc/01/37/75/1033013775.db2.gz LTVRKFVASIMOMZ-FCGDIQPGSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](c1cccc(F)c1)C1CC1)C2 ZINC001172110692 1033013778 /nfs/dbraw/zinc/01/37/78/1033013778.db2.gz LTVRKFVASIMOMZ-FCGDIQPGSA-N 1 3 302.437 3.882 20 0 DHADHO CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(OC)cc1 ZINC001172113570 1033018859 /nfs/dbraw/zinc/01/88/59/1033018859.db2.gz DLSUGIBPFGULGT-VXIBKDFQSA-N 1 3 302.462 3.751 20 0 DHADHO CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(OC)cc1 ZINC001172113570 1033018867 /nfs/dbraw/zinc/01/88/67/1033018867.db2.gz DLSUGIBPFGULGT-VXIBKDFQSA-N 1 3 302.462 3.751 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](c1ccc(F)cc1)C1CC1)C2 ZINC001172118596 1033026465 /nfs/dbraw/zinc/02/64/65/1033026465.db2.gz SAIHYRUZHFCMTA-AKHDSKFASA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](c1ccc(F)cc1)C1CC1)C2 ZINC001172118596 1033026478 /nfs/dbraw/zinc/02/64/78/1033026478.db2.gz SAIHYRUZHFCMTA-AKHDSKFASA-N 1 3 302.437 3.882 20 0 DHADHO CN(Cc1cccc(F)c1)C1CC[NH+](Cc2cccs2)CC1 ZINC001204018571 1022178311 /nfs/dbraw/zinc/17/83/11/1022178311.db2.gz PFMMHJPYQKWMAI-UHFFFAOYSA-N 1 3 318.461 3.984 20 0 DHADHO C[C@@H]1CN(Cc2cc(F)ccc2C(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001205995982 1022203606 /nfs/dbraw/zinc/20/36/06/1022203606.db2.gz SRXRPEDAIXCGAJ-VXGBXAGGSA-N 1 3 318.358 3.651 20 0 DHADHO C[C@@H]1CN(Cc2cccc(Cl)c2Cl)CCC[C@@H]1C[NH3+] ZINC001205996610 1022222672 /nfs/dbraw/zinc/22/26/72/1022222672.db2.gz XVBDGXFZILGABA-VXGBXAGGSA-N 1 3 301.261 3.800 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1F)C1CCC1)C2 ZINC001169100536 1022247703 /nfs/dbraw/zinc/24/77/03/1022247703.db2.gz KRLZHAYKDWVJJC-YYAJDYIMSA-N 1 3 302.437 3.882 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)Cc1ccc(Br)cc1)C2 ZINC001169141442 1022271651 /nfs/dbraw/zinc/27/16/51/1022271651.db2.gz QLINJXXBRSKHCV-MUJYYYPQSA-N 1 3 323.278 3.506 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)Cc1ccc(Br)cc1)C2 ZINC001169141442 1022271656 /nfs/dbraw/zinc/27/16/56/1022271656.db2.gz QLINJXXBRSKHCV-MUJYYYPQSA-N 1 3 323.278 3.506 20 0 DHADHO Cc1nc2ccc(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)cc2[nH]1 ZINC001169147163 1022276578 /nfs/dbraw/zinc/27/65/78/1022276578.db2.gz SQJDETSWRIQFEB-KDOFPFPSSA-N 1 3 300.450 3.827 20 0 DHADHO c1[nH]nc2c1[C@H](NCc1ccc(C[NH+]3CCCCC3)cc1)CCC2 ZINC000367629832 1022419405 /nfs/dbraw/zinc/41/94/05/1022419405.db2.gz BNVADWNOSDZFGC-LJQANCHMSA-N 1 3 324.472 3.563 20 0 DHADHO C[C@@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000155979840 1022432949 /nfs/dbraw/zinc/43/29/49/1022432949.db2.gz MDKACQDDOZLGHD-XLIONFOSSA-N 1 3 309.457 3.787 20 0 DHADHO C[C@@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000155979840 1022432953 /nfs/dbraw/zinc/43/29/53/1022432953.db2.gz MDKACQDDOZLGHD-XLIONFOSSA-N 1 3 309.457 3.787 20 0 DHADHO C[NH+](C)CCC(C)(C)Nc1ccc(F)c(CN2CCCC2)c1 ZINC001169717653 1022517921 /nfs/dbraw/zinc/51/79/21/1022517921.db2.gz HIONZXTUGFFSEY-UHFFFAOYSA-N 1 3 307.457 3.564 20 0 DHADHO CCC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccc(F)cc1 ZINC001172246220 1033066594 /nfs/dbraw/zinc/06/65/94/1033066594.db2.gz HUIGZWOXDLZSHY-IBGZPJMESA-N 1 3 322.468 3.757 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417318970 1022680096 /nfs/dbraw/zinc/68/00/96/1022680096.db2.gz ZXBUSVXVFPWYAC-LUKYLMHMSA-N 1 3 306.519 3.950 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000414908370 1022904023 /nfs/dbraw/zinc/90/40/23/1022904023.db2.gz BGVFNFUYSKTPDX-MNOVXSKESA-N 1 3 306.759 3.718 20 0 DHADHO FC1(F)CC(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000293798022 1022971133 /nfs/dbraw/zinc/97/11/33/1022971133.db2.gz UTZBCNSOKGBVEA-RCCFBDPRSA-N 1 3 320.427 3.532 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccc(F)cc2CSC)[C@H](C)C1 ZINC000167113247 1023031389 /nfs/dbraw/zinc/03/13/89/1023031389.db2.gz YGDCTWNWNVRMHE-DYVFJYSZSA-N 1 3 310.482 3.509 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CCSCC1 ZINC000249870981 1023064757 /nfs/dbraw/zinc/06/47/57/1023064757.db2.gz GEQYQWFORAWPRC-ZOBUZTSGSA-N 1 3 310.551 3.761 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000249978020 1023065936 /nfs/dbraw/zinc/06/59/36/1023065936.db2.gz YHLALKJDDVPFLL-YSIASYRMSA-N 1 3 300.490 3.770 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000249978020 1023065946 /nfs/dbraw/zinc/06/59/46/1023065946.db2.gz YHLALKJDDVPFLL-YSIASYRMSA-N 1 3 300.490 3.770 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC[C@@H]21 ZINC000249976247 1023066931 /nfs/dbraw/zinc/06/69/31/1023066931.db2.gz YEBUHHQDCSPDPX-AYWYSENESA-N 1 3 312.501 3.913 20 0 DHADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC[C@@H]21 ZINC000249976247 1023066941 /nfs/dbraw/zinc/06/69/41/1023066941.db2.gz YEBUHHQDCSPDPX-AYWYSENESA-N 1 3 312.501 3.913 20 0 DHADHO CC(C)CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000538569668 1033103443 /nfs/dbraw/zinc/10/34/43/1033103443.db2.gz RXNSZAUYSDJMBX-JENIJYKNSA-N 1 3 318.505 3.930 20 0 DHADHO CC[C@@H](C)OCC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001172337297 1033120220 /nfs/dbraw/zinc/12/02/20/1033120220.db2.gz PNHYTVHPRJZTII-DLBZAZTESA-N 1 3 310.526 3.967 20 0 DHADHO CN1CC[C@]2(C1)CCC[N@H+](CCOc1cccc3ccccc31)C2 ZINC000660657032 1023364260 /nfs/dbraw/zinc/36/42/60/1023364260.db2.gz ZLPUMSXIKMJKRC-NRFANRHFSA-N 1 3 324.468 3.636 20 0 DHADHO CN1CC[C@]2(C1)CCC[N@@H+](CCOc1cccc3ccccc31)C2 ZINC000660657032 1023364272 /nfs/dbraw/zinc/36/42/72/1023364272.db2.gz ZLPUMSXIKMJKRC-NRFANRHFSA-N 1 3 324.468 3.636 20 0 DHADHO CN1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1Cl)C2 ZINC000660662687 1023368514 /nfs/dbraw/zinc/36/85/14/1023368514.db2.gz LCUIJRLVFSAAFY-SFHVURJKSA-N 1 3 306.881 3.690 20 0 DHADHO CN1CC[C@]2(C1)CCC[N@@H+](CCCc1ccccc1Cl)C2 ZINC000660662687 1023368522 /nfs/dbraw/zinc/36/85/22/1023368522.db2.gz LCUIJRLVFSAAFY-SFHVURJKSA-N 1 3 306.881 3.690 20 0 DHADHO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925719206 1023416745 /nfs/dbraw/zinc/41/67/45/1023416745.db2.gz MBNJJBLKFYMXPC-HUUCEWRRSA-N 1 3 302.453 3.816 20 0 DHADHO CC[C@H](C)OCC[C@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001172349360 1033131355 /nfs/dbraw/zinc/13/13/55/1033131355.db2.gz LSLBVAYNZYGXLP-GBESFXJTSA-N 1 3 322.537 3.990 20 0 DHADHO COC[C@H](CC(C)(C)C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000651728621 1023501822 /nfs/dbraw/zinc/50/18/22/1023501822.db2.gz DZQIVOCYJBUVRU-KRWDZBQOSA-N 1 3 310.526 3.824 20 0 DHADHO COC[C@H](CC(C)(C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000651728621 1023501826 /nfs/dbraw/zinc/50/18/26/1023501826.db2.gz DZQIVOCYJBUVRU-KRWDZBQOSA-N 1 3 310.526 3.824 20 0 DHADHO Cc1csc2sc(CN3CC[C@@H](F)[C@@H]([NH3+])CC3)c(C)c12 ZINC001206185006 1033485294 /nfs/dbraw/zinc/48/52/94/1033485294.db2.gz KKWCLVDCJAQGAE-NEPJUHHUSA-N 1 3 312.479 3.841 20 0 DHADHO C[C@@H]1CC[C@H]([NH+]2CCC(N)(Cc3ccc(F)cc3)CC2)C[C@H]1C ZINC001172365555 1033143896 /nfs/dbraw/zinc/14/38/96/1033143896.db2.gz ABKDMIUEIBPXES-MDZRGWNJSA-N 1 3 318.480 3.986 20 0 DHADHO C[N@H+](CCCN)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408354 1023985362 /nfs/dbraw/zinc/98/53/62/1023985362.db2.gz ZYMYPHHVLNUSFE-HUUCEWRRSA-N 1 3 300.368 3.622 20 0 DHADHO C[N@@H+](CCCN)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408354 1023985373 /nfs/dbraw/zinc/98/53/73/1023985373.db2.gz ZYMYPHHVLNUSFE-HUUCEWRRSA-N 1 3 300.368 3.622 20 0 DHADHO CN(CCC[NH3+])[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408354 1023985386 /nfs/dbraw/zinc/98/53/86/1023985386.db2.gz ZYMYPHHVLNUSFE-HUUCEWRRSA-N 1 3 300.368 3.622 20 0 DHADHO Fc1cccc(CN(Cc2cccc3c2CC[NH2+]C3)C2CC2)c1 ZINC000662250233 1024030092 /nfs/dbraw/zinc/03/00/92/1024030092.db2.gz BLKBZXOLYJKBGH-UHFFFAOYSA-N 1 3 310.416 3.636 20 0 DHADHO c1ccc2sc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)nc2c1 ZINC000662295699 1024077528 /nfs/dbraw/zinc/07/75/28/1024077528.db2.gz WMDHEJSZGZPFHB-OAHLLOKOSA-N 1 3 315.486 3.508 20 0 DHADHO Cc1nc2c(s1)[C@H]([NH2+]CCCN1CCC(C)CC1)CCC2 ZINC000161786144 1024107067 /nfs/dbraw/zinc/10/70/67/1024107067.db2.gz YJOQNSCYAVTNSO-OAHLLOKOSA-N 1 3 307.507 3.541 20 0 DHADHO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCCN(C)C ZINC000268710168 1024145223 /nfs/dbraw/zinc/14/52/23/1024145223.db2.gz JUHUAGQMJWFBCX-CQSZACIVSA-N 1 3 317.502 3.645 20 0 DHADHO COCc1c(C)cc(C)c(CNC[C@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000882941302 1024179151 /nfs/dbraw/zinc/17/91/51/1024179151.db2.gz NRUJQPVDWKLJHM-GOSISDBHSA-N 1 3 318.505 3.578 20 0 DHADHO COCc1c(C)cc(C)c(CNC[C@H]2CC[N@H+](C(C)C)C2)c1C ZINC000882941302 1024179159 /nfs/dbraw/zinc/17/91/59/1024179159.db2.gz NRUJQPVDWKLJHM-GOSISDBHSA-N 1 3 318.505 3.578 20 0 DHADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc2c(c1)COC2 ZINC000269057041 1024232469 /nfs/dbraw/zinc/23/24/69/1024232469.db2.gz JHEVQIWFDVTLKX-HNNXBMFYSA-N 1 3 314.473 3.774 20 0 DHADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCCC4(CC4)C3)CC2)ccn1 ZINC000883234878 1024306645 /nfs/dbraw/zinc/30/66/45/1024306645.db2.gz ODXUQBYHBXNWDO-LJQANCHMSA-N 1 3 313.489 3.606 20 0 DHADHO Clc1cccc([C@@H]2C[C@@H]2NC2CC[NH+](CC3CC3)CC2)c1 ZINC001168359679 1033203034 /nfs/dbraw/zinc/20/30/34/1033203034.db2.gz FFSGQZZELWZPOL-ROUUACIJSA-N 1 3 304.865 3.660 20 0 DHADHO C[C@@H]1C[C@@H](NC2CCC([NH+]3CCC(C)CC3)CC2)c2nccn21 ZINC000453166930 1024378748 /nfs/dbraw/zinc/37/87/48/1024378748.db2.gz HSPCATDQPCYCBL-AQEOSJORSA-N 1 3 316.493 3.522 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2scnc2C)CC1)CC1CC1 ZINC000538857693 1033206957 /nfs/dbraw/zinc/20/69/57/1033206957.db2.gz UUEFRISDYVZKIH-UHFFFAOYSA-N 1 3 321.534 3.786 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2scnc2C)CC1)CC1CC1 ZINC000538857693 1033206972 /nfs/dbraw/zinc/20/69/72/1033206972.db2.gz UUEFRISDYVZKIH-UHFFFAOYSA-N 1 3 321.534 3.786 20 0 DHADHO c1ccc2c(c1)CCC([NH2+]C[C@H]1CCCN(CC3CC3)C1)CC2 ZINC000663465825 1024402799 /nfs/dbraw/zinc/40/27/99/1024402799.db2.gz LQXUBLQUVBGYSD-GOSISDBHSA-N 1 3 312.501 3.646 20 0 DHADHO Fc1ccccc1C1CC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000663466530 1024412030 /nfs/dbraw/zinc/41/20/30/1024412030.db2.gz VCWIGNVLLRXCMQ-AOCRQIFASA-N 1 3 316.464 3.783 20 0 DHADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883424460 1024434137 /nfs/dbraw/zinc/43/41/37/1024434137.db2.gz TWQWECCLYQQZON-DGDSNLKDSA-N 1 3 314.473 3.641 20 0 DHADHO COc1ccc([C@H](C[NH3+])CN2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000883462607 1024440104 /nfs/dbraw/zinc/44/01/04/1024440104.db2.gz VJXSFKZRKBOAOA-FVJLSDCUSA-N 1 3 322.452 3.672 20 0 DHADHO COc1ccc([C@H](CN)C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000883462607 1024440107 /nfs/dbraw/zinc/44/01/07/1024440107.db2.gz VJXSFKZRKBOAOA-FVJLSDCUSA-N 1 3 322.452 3.672 20 0 DHADHO COc1ccc([C@H](CN)C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000883462607 1024440119 /nfs/dbraw/zinc/44/01/19/1024440119.db2.gz VJXSFKZRKBOAOA-FVJLSDCUSA-N 1 3 322.452 3.672 20 0 DHADHO COc1ccc([C@@H](C[NH3+])CN2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000883462606 1024440995 /nfs/dbraw/zinc/44/09/95/1024440995.db2.gz VJXSFKZRKBOAOA-FIKGOQFSSA-N 1 3 322.452 3.672 20 0 DHADHO COc1ccc([C@@H](CN)C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000883462606 1024440998 /nfs/dbraw/zinc/44/09/98/1024440998.db2.gz VJXSFKZRKBOAOA-FIKGOQFSSA-N 1 3 322.452 3.672 20 0 DHADHO COc1ccc([C@@H](CN)C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000883462606 1024441004 /nfs/dbraw/zinc/44/10/04/1024441004.db2.gz VJXSFKZRKBOAOA-FIKGOQFSSA-N 1 3 322.452 3.672 20 0 DHADHO Cc1cc(CNCC[C@@H]([NH3+])C(C)C)ccc1Oc1cccnc1 ZINC000663498106 1024487414 /nfs/dbraw/zinc/48/74/14/1024487414.db2.gz LJFCPBUFIUDJDV-GOSISDBHSA-N 1 3 313.445 3.645 20 0 DHADHO CC[NH+](CC)CCC[C@@H](C)N(C)Cc1cn2ccc(C)cc2n1 ZINC001167835245 1024613271 /nfs/dbraw/zinc/61/32/71/1024613271.db2.gz PPPNLPSRAJCQRU-QGZVFWFLSA-N 1 3 316.493 3.585 20 0 DHADHO c1ccc([C@@H]2C[C@@H](NCCOC3CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000877071052 1033226573 /nfs/dbraw/zinc/22/65/73/1033226573.db2.gz CIOQPNLROMPNSY-PXNSSMCTSA-N 1 3 314.473 3.513 20 0 DHADHO c1ccc([C@@H]2C[C@@H](NCCOC3CCC3)CC[N@H+]2C2CC2)cc1 ZINC000877071052 1033226585 /nfs/dbraw/zinc/22/65/85/1033226585.db2.gz CIOQPNLROMPNSY-PXNSSMCTSA-N 1 3 314.473 3.513 20 0 DHADHO C[C@H](Cc1ccccc1Cl)[NH2+]CCCN1CCC(C)CC1 ZINC001170250244 1024723937 /nfs/dbraw/zinc/72/39/37/1024723937.db2.gz INUGADBLCVNBCA-MRXNPFEDSA-N 1 3 308.897 3.983 20 0 DHADHO Cc1ccc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)nc1 ZINC000350515693 1024822219 /nfs/dbraw/zinc/82/22/19/1024822219.db2.gz TUWZSNKCXYKPHF-FPOVZHCZSA-N 1 3 323.484 3.562 20 0 DHADHO Fc1ccc([C@@H](C[C@@H]2CCCO2)[NH2+]CCCN2CCCC2)cc1 ZINC000353387968 1025049799 /nfs/dbraw/zinc/04/97/99/1025049799.db2.gz PBRFHADABHQZLL-RBUKOAKNSA-N 1 3 320.452 3.511 20 0 DHADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1cnn(C2CCCC2)c1 ZINC000337456496 1025074980 /nfs/dbraw/zinc/07/49/80/1025074980.db2.gz JGOKVKYPIUVWCW-INIZCTEOSA-N 1 3 318.509 3.771 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)c3cccnc23)[C@@H](C)C1 ZINC000353747372 1025226822 /nfs/dbraw/zinc/22/68/22/1025226822.db2.gz ADONIFXCBBDCGD-KBXCAEBGSA-N 1 3 315.436 3.536 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c3cccnc23)[C@@H](C)C1 ZINC000353747372 1025226845 /nfs/dbraw/zinc/22/68/45/1025226845.db2.gz ADONIFXCBBDCGD-KBXCAEBGSA-N 1 3 315.436 3.536 20 0 DHADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000279836746 1025280576 /nfs/dbraw/zinc/28/05/76/1025280576.db2.gz ZNEJHWKBYOBNMV-OXJNMPFZSA-N 1 3 316.489 3.759 20 0 DHADHO CC(C)Oc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000124375445 1025334106 /nfs/dbraw/zinc/33/41/06/1025334106.db2.gz CBGDPICOJFMCQQ-HOTGVXAUSA-N 1 3 302.462 3.609 20 0 DHADHO CC(C)Oc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000124375445 1025334121 /nfs/dbraw/zinc/33/41/21/1025334121.db2.gz CBGDPICOJFMCQQ-HOTGVXAUSA-N 1 3 302.462 3.609 20 0 DHADHO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000877314981 1033280510 /nfs/dbraw/zinc/28/05/10/1033280510.db2.gz GYEFPGZIPKBHSQ-XFQAVAEZSA-N 1 3 318.442 3.564 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885969539 1025423946 /nfs/dbraw/zinc/42/39/46/1025423946.db2.gz VRCVJSFTQBZZRC-ZWKOTPCHSA-N 1 3 308.510 3.578 20 0 DHADHO C([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCN(CC2CC2)C1 ZINC000886166892 1025541212 /nfs/dbraw/zinc/54/12/12/1025541212.db2.gz UTULWKPEHPIMGU-OALUTQOASA-N 1 3 320.521 3.580 20 0 DHADHO C[NH+](C)CC1CCN(Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000893940155 1025613211 /nfs/dbraw/zinc/61/32/11/1025613211.db2.gz JWUSQJDMFMERON-UHFFFAOYSA-N 1 3 323.893 3.723 20 0 DHADHO Cc1ccc2ncc(C[N@@H+](C)C3CCN(C(C)C)CC3)cc2c1 ZINC000411223179 1025882616 /nfs/dbraw/zinc/88/26/16/1025882616.db2.gz HTGSWFHAAFKJSN-UHFFFAOYSA-N 1 3 311.473 3.848 20 0 DHADHO Cc1ccc2ncc(C[N@H+](C)C3CCN(C(C)C)CC3)cc2c1 ZINC000411223179 1025882641 /nfs/dbraw/zinc/88/26/41/1025882641.db2.gz HTGSWFHAAFKJSN-UHFFFAOYSA-N 1 3 311.473 3.848 20 0 DHADHO CN1CCCC[C@@H]1CC[NH+]1CCC(c2ccccc2F)CC1 ZINC000532978195 1026158574 /nfs/dbraw/zinc/15/85/74/1026158574.db2.gz XPDUZMSHKIZTLN-QGZVFWFLSA-N 1 3 304.453 3.880 20 0 DHADHO CSc1cc(C)ccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000513698274 1026671276 /nfs/dbraw/zinc/67/12/76/1026671276.db2.gz YOWGZZJHJKKNJH-BBWFWOEESA-N 1 3 304.503 3.679 20 0 DHADHO CSc1cc(C)ccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000513698274 1026671282 /nfs/dbraw/zinc/67/12/82/1026671282.db2.gz YOWGZZJHJKKNJH-BBWFWOEESA-N 1 3 304.503 3.679 20 0 DHADHO CSc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000513698274 1026671285 /nfs/dbraw/zinc/67/12/85/1026671285.db2.gz YOWGZZJHJKKNJH-BBWFWOEESA-N 1 3 304.503 3.679 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2-c2ccc(Cl)cc2)C[C@H]1N ZINC001206070808 1026692767 /nfs/dbraw/zinc/69/27/67/1026692767.db2.gz SQMVWDQFEBPLPF-FZKQIMNGSA-N 1 3 300.833 3.786 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)C[C@H]1N ZINC001206070808 1026692773 /nfs/dbraw/zinc/69/27/73/1026692773.db2.gz SQMVWDQFEBPLPF-FZKQIMNGSA-N 1 3 300.833 3.786 20 0 DHADHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C(F)(F)F ZINC000414444566 1026787867 /nfs/dbraw/zinc/78/78/67/1026787867.db2.gz QAGHFOBKIOBUFT-XJKSGUPXSA-N 1 3 314.395 3.786 20 0 DHADHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1C(F)(F)F ZINC000414444566 1026787878 /nfs/dbraw/zinc/78/78/78/1026787878.db2.gz QAGHFOBKIOBUFT-XJKSGUPXSA-N 1 3 314.395 3.786 20 0 DHADHO COc1ccc([C@H](CN)C[NH2+][C@@H](c2ccccc2)C2CCC2)cc1 ZINC000420293840 1026794531 /nfs/dbraw/zinc/79/45/31/1026794531.db2.gz ANYZMVXBYXOHLE-CTNGQTDRSA-N 1 3 324.468 3.869 20 0 DHADHO CC[C@H](c1ccc(F)cc1F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420340525 1026804232 /nfs/dbraw/zinc/80/42/32/1026804232.db2.gz SHDMPXRUEPFQEL-QZTJIDSGSA-N 1 3 308.416 3.880 20 0 DHADHO CC1(C)CNCC[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000420372568 1026809723 /nfs/dbraw/zinc/80/97/23/1026809723.db2.gz YHFGOMIILLCOCI-LJQANCHMSA-N 1 3 312.457 3.586 20 0 DHADHO c1ccc2c(c1)-c1ccccc1C2N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420388893 1026811910 /nfs/dbraw/zinc/81/19/10/1026811910.db2.gz XIAXAYNPXLCPND-NRFANRHFSA-N 1 3 304.437 3.832 20 0 DHADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccncc1Cl ZINC000421822405 1027056651 /nfs/dbraw/zinc/05/66/51/1027056651.db2.gz WTYIUCQOJJNOHA-GJZGRUSLSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccncc1Cl ZINC000421822405 1027056658 /nfs/dbraw/zinc/05/66/58/1027056658.db2.gz WTYIUCQOJJNOHA-GJZGRUSLSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000421822440 1027056718 /nfs/dbraw/zinc/05/67/18/1027056718.db2.gz XACISUISHGPREK-WQVCFCJDSA-N 1 3 310.844 3.627 20 0 DHADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000421822440 1027056727 /nfs/dbraw/zinc/05/67/27/1027056727.db2.gz XACISUISHGPREK-WQVCFCJDSA-N 1 3 310.844 3.627 20 0 DHADHO Cc1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)cs1 ZINC000295220423 1027151469 /nfs/dbraw/zinc/15/14/69/1027151469.db2.gz QYAQEPKEHNGPGL-UHFFFAOYSA-N 1 3 318.486 3.677 20 0 DHADHO CC(C)CN(Cc1coc(C(C)(C)C)n1)CC1CC[NH+](C)CC1 ZINC000931561805 1027168065 /nfs/dbraw/zinc/16/80/65/1027168065.db2.gz MKMXEGKCYWJNFT-UHFFFAOYSA-N 1 3 321.509 3.772 20 0 DHADHO C[NH+](C)Cc1ccc(CNCc2cc(F)cc(Cl)c2)cc1 ZINC000362526568 1027265338 /nfs/dbraw/zinc/26/53/38/1027265338.db2.gz SLNZVFWQZZMBQN-UHFFFAOYSA-N 1 3 306.812 3.831 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCCc1ccccc1 ZINC000422708760 1027297672 /nfs/dbraw/zinc/29/76/72/1027297672.db2.gz YDJZYQBXUHFFPE-INIZCTEOSA-N 1 3 311.473 3.912 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000422710899 1027297746 /nfs/dbraw/zinc/29/77/46/1027297746.db2.gz LVXVREXGVZCXME-CWFSZBLJSA-N 1 3 309.457 3.836 20 0 DHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1nc(C(C)(C)C)cs1 ZINC000422743546 1027310437 /nfs/dbraw/zinc/31/04/37/1027310437.db2.gz RRHSFZUVDGKZBH-GJZGRUSLSA-N 1 3 323.550 3.884 20 0 DHADHO Cc1cccnc1[C@@H](N[C@@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422749182 1027312052 /nfs/dbraw/zinc/31/20/52/1027312052.db2.gz XXEFDZYXNWEBGC-YJBOKZPZSA-N 1 3 312.461 3.600 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1nc(C(C)(C)C)cs1 ZINC000422743547 1027312288 /nfs/dbraw/zinc/31/22/88/1027312288.db2.gz RRHSFZUVDGKZBH-HUUCEWRRSA-N 1 3 323.550 3.884 20 0 DHADHO CC[C@@H](N[C@@H](C)CCCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422812147 1027330922 /nfs/dbraw/zinc/33/09/22/1027330922.db2.gz PZUDNTUMOZLXQT-VHSXEESVSA-N 1 3 309.401 3.720 20 0 DHADHO Cc1ccc(SC2(CN[C@@H]3CCC[C@@H]3[NH3+])CCCC2)cc1 ZINC000422837997 1027337697 /nfs/dbraw/zinc/33/76/97/1027337697.db2.gz NLKXHZCNINOJJK-DLBZAZTESA-N 1 3 304.503 3.869 20 0 DHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)c1ccccc1F ZINC000422848784 1027338617 /nfs/dbraw/zinc/33/86/17/1027338617.db2.gz KKUXLUAFTTVSOI-DNVCBOLYSA-N 1 3 314.448 3.651 20 0 DHADHO CCOCCC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCCC1 ZINC000422890438 1027350272 /nfs/dbraw/zinc/35/02/72/1027350272.db2.gz SDFFKFYGTIWZQW-ROUUACIJSA-N 1 3 302.462 3.708 20 0 DHADHO C[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@@H]1Oc2ccccc2[C@H]1C ZINC000422922255 1027362838 /nfs/dbraw/zinc/36/28/38/1027362838.db2.gz SIPSWSXQTHQWQV-VBHADHFHSA-N 1 3 308.425 3.674 20 0 DHADHO COc1ccccc1SC[C@H](C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422943144 1027370436 /nfs/dbraw/zinc/37/04/36/1027370436.db2.gz KFDSVMQXAUDSBZ-OAGGEKHMSA-N 1 3 322.518 3.544 20 0 DHADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1cccc(Cl)c1Cl ZINC000422948253 1027375000 /nfs/dbraw/zinc/37/50/00/1027375000.db2.gz QZTYDJSKGVYVAE-UONOGXRCSA-N 1 3 301.261 3.786 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCC2(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000422993582 1027383570 /nfs/dbraw/zinc/38/35/70/1027383570.db2.gz RPCIQLQWRRPLLR-RTBURBONSA-N 1 3 310.416 3.883 20 0 DHADHO c1ccc(-c2cccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)nc1 ZINC000422994964 1027383687 /nfs/dbraw/zinc/38/36/87/1027383687.db2.gz JAGLXBYZMBHJNB-SESVDKBCSA-N 1 3 321.468 3.759 20 0 DHADHO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423011737 1027390875 /nfs/dbraw/zinc/39/08/75/1027390875.db2.gz BLBGJFISCBXFQQ-TUCQFJRYSA-N 1 3 314.404 3.636 20 0 DHADHO COc1ccc(C[C@H](C)CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423013893 1027391352 /nfs/dbraw/zinc/39/13/52/1027391352.db2.gz NSRHMHUMCMHNHH-VHKYSDTDSA-N 1 3 310.441 3.608 20 0 DHADHO NC[C@H]1CCC[C@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000423034448 1027396691 /nfs/dbraw/zinc/39/66/91/1027396691.db2.gz QCQJJJODQMVQAY-CRAIPNDOSA-N 1 3 307.441 3.512 20 0 DHADHO CCC(CC)[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000423043642 1027400465 /nfs/dbraw/zinc/40/04/65/1027400465.db2.gz PKUVUFORYHPGNJ-OAOYMFHYSA-N 1 3 302.462 3.705 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC000423066814 1027404525 /nfs/dbraw/zinc/40/45/25/1027404525.db2.gz YBFQXDQGFPQUCU-CVEARBPZSA-N 1 3 310.844 3.760 20 0 DHADHO c1cnc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2c1 ZINC000423084791 1027412017 /nfs/dbraw/zinc/41/20/17/1027412017.db2.gz IXZMWMJLAJIIRG-DFQSSKMNSA-N 1 3 309.457 3.635 20 0 DHADHO C[C@@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000423075831 1027418445 /nfs/dbraw/zinc/41/84/45/1027418445.db2.gz PLSYPQRHCNTKNM-OKDNKWQNSA-N 1 3 322.880 3.618 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCCc2c(F)cccc21 ZINC000423148331 1027431340 /nfs/dbraw/zinc/43/13/40/1027431340.db2.gz VDJXGYFMBBAXDE-DJJJIMSYSA-N 1 3 313.420 3.716 20 0 DHADHO Fc1cccc(CC2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1F ZINC000423154044 1027431532 /nfs/dbraw/zinc/43/15/32/1027431532.db2.gz INYKDLIYQXCQMT-SJPCQFCGSA-N 1 3 320.427 3.502 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@H]1CCc2ccccc21 ZINC000423149837 1027432181 /nfs/dbraw/zinc/43/21/81/1027432181.db2.gz XXVSNPJWYPOTTA-RHSMWYFYSA-N 1 3 309.457 3.619 20 0 DHADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423184550 1027438259 /nfs/dbraw/zinc/43/82/59/1027438259.db2.gz IHJNWTDEWKGPIH-CQSZACIVSA-N 1 3 303.837 3.566 20 0 DHADHO C[C@@H](N[C@@H](C)c1cccc(-c2ccncc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000423208752 1027445519 /nfs/dbraw/zinc/44/55/19/1027445519.db2.gz DQENLLOHPVMXIG-RZQQEMMASA-N 1 3 309.457 3.787 20 0 DHADHO COCCC[C@@H]([NH2+]CC1(N)CCCCCC1)c1ccc(F)cc1 ZINC000423201443 1027451649 /nfs/dbraw/zinc/45/16/49/1027451649.db2.gz ORPLSKWMWSYNPZ-GOSISDBHSA-N 1 3 322.468 3.935 20 0 DHADHO C[C@H]([NH2+]CC1(N)CCCCCC1)c1ccc(-n2cccn2)cc1 ZINC000423197786 1027453232 /nfs/dbraw/zinc/45/32/32/1027453232.db2.gz BEASUQMKOGKDPP-INIZCTEOSA-N 1 3 312.461 3.575 20 0 DHADHO CC[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423221241 1027462724 /nfs/dbraw/zinc/46/27/24/1027462724.db2.gz ZLZPPWRPMRJKOE-YWZLYKJASA-N 1 3 312.457 3.889 20 0 DHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423251107 1027475146 /nfs/dbraw/zinc/47/51/46/1027475146.db2.gz WBFGSTMKDTYISL-MGPUTAFESA-N 1 3 320.440 3.531 20 0 DHADHO Cc1c([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cnn1C(C)(C)C ZINC000423291921 1027485613 /nfs/dbraw/zinc/48/56/13/1027485613.db2.gz KOMXEMSRORBBNI-KGLIPLIRSA-N 1 3 314.477 3.817 20 0 DHADHO CCOc1ccc([C@H](CC)[NH2+]C[C@@H](N)C(C)C)cc1OCC ZINC000423280654 1027492045 /nfs/dbraw/zinc/49/20/45/1027492045.db2.gz UFBBKGJQNBXDER-CVEARBPZSA-N 1 3 308.466 3.508 20 0 DHADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423313873 1027497609 /nfs/dbraw/zinc/49/76/09/1027497609.db2.gz GFVWJMDVXQEJKA-KUHUBIRLSA-N 1 3 310.441 3.750 20 0 DHADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000423327719 1027509436 /nfs/dbraw/zinc/50/94/36/1027509436.db2.gz LSDNMFPXCAGLCS-CQSZACIVSA-N 1 3 315.486 3.850 20 0 DHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC1(N)CCC1 ZINC000423332101 1027509655 /nfs/dbraw/zinc/50/96/55/1027509655.db2.gz QPMHDNNHHOTHCJ-CYBMUJFWSA-N 1 3 315.486 3.959 20 0 DHADHO C[C@H](NC[C@@]1(C)CCC[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000423325420 1027511867 /nfs/dbraw/zinc/51/18/67/1027511867.db2.gz JSEXZCXAMPRFOX-DEYYWGMASA-N 1 3 317.502 3.768 20 0 DHADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(OC(F)F)c1 ZINC000423367953 1027524416 /nfs/dbraw/zinc/52/44/16/1027524416.db2.gz ZFUGAXQSPUHXDS-LBPRGKRZSA-N 1 3 318.367 3.742 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423401185 1027534705 /nfs/dbraw/zinc/53/47/05/1027534705.db2.gz VWADOHLNCFZQRH-CYZMBNFOSA-N 1 3 302.340 3.506 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423404192 1027537407 /nfs/dbraw/zinc/53/74/07/1027537407.db2.gz ZAISQAQYLRULDF-BPLDGKMQSA-N 1 3 312.910 3.941 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423404192 1027537416 /nfs/dbraw/zinc/53/74/16/1027537416.db2.gz ZAISQAQYLRULDF-BPLDGKMQSA-N 1 3 312.910 3.941 20 0 DHADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423470396 1027558648 /nfs/dbraw/zinc/55/86/48/1027558648.db2.gz PHDYKIFSBXYKCX-SMDDNHRTSA-N 1 3 319.449 3.654 20 0 DHADHO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1OCCC ZINC000423452998 1027564620 /nfs/dbraw/zinc/56/46/20/1027564620.db2.gz WYJKCJYLZOIVDH-ILXRZTDVSA-N 1 3 308.466 3.651 20 0 DHADHO C[C@H]([NH2+]CC1Cc2ccccc2C1)[C@H]1CCCN(C2CCC2)C1 ZINC000578109293 1028054096 /nfs/dbraw/zinc/05/40/96/1028054096.db2.gz DSBWKDFISCUPMP-JXFKEZNVSA-N 1 3 312.501 3.644 20 0 DHADHO C[NH2+]C[C@@H]1CCN(CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000578506334 1028169986 /nfs/dbraw/zinc/16/99/86/1028169986.db2.gz CWPLZEDHNMLWSB-AWEZNQCLSA-N 1 3 315.288 3.857 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](C)c2cc(F)cc(F)c2)C[C@H]1C ZINC000449031146 1028270597 /nfs/dbraw/zinc/27/05/97/1028270597.db2.gz UMNZYPJTWOGBHQ-IYOUNJFTSA-N 1 3 310.432 3.873 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)C[C@H](C)c2cc(F)cc(F)c2)C[C@H]1C ZINC000449031146 1028270612 /nfs/dbraw/zinc/27/06/12/1028270612.db2.gz UMNZYPJTWOGBHQ-IYOUNJFTSA-N 1 3 310.432 3.873 20 0 DHADHO COc1cccc2c(C[N@@H+]3CC[C@H]4[C@@H](CCCN4C)C3)cccc12 ZINC000449044364 1028306601 /nfs/dbraw/zinc/30/66/01/1028306601.db2.gz DIZQBJPHACDUNV-PXNSSMCTSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(C[N@H+]3CC[C@H]4[C@@H](CCCN4C)C3)cccc12 ZINC000449044364 1028306617 /nfs/dbraw/zinc/30/66/17/1028306617.db2.gz DIZQBJPHACDUNV-PXNSSMCTSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cccc12 ZINC000449044364 1028306636 /nfs/dbraw/zinc/30/66/36/1028306636.db2.gz DIZQBJPHACDUNV-PXNSSMCTSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cccc12 ZINC000449044364 1028306656 /nfs/dbraw/zinc/30/66/56/1028306656.db2.gz DIZQBJPHACDUNV-PXNSSMCTSA-N 1 3 324.468 3.765 20 0 DHADHO C1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C2(C1)CCOCC2 ZINC000368524483 1028364775 /nfs/dbraw/zinc/36/47/75/1028364775.db2.gz BDKOEWJNEWFRKH-LJQANCHMSA-N 1 3 320.521 3.722 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC000449092719 1028364895 /nfs/dbraw/zinc/36/48/95/1028364895.db2.gz MYXJUYBHDAGQHX-CVEARBPZSA-N 1 3 300.446 3.685 20 0 DHADHO C[NH+](C)CCOc1ccc(CNCc2cccc3ccoc32)cc1 ZINC000449090818 1028365335 /nfs/dbraw/zinc/36/53/35/1028365335.db2.gz OPEZLNAPBBEGFC-UHFFFAOYSA-N 1 3 324.424 3.663 20 0 DHADHO CCCN1CC[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449094927 1028368944 /nfs/dbraw/zinc/36/89/44/1028368944.db2.gz VAXDROZMVRCBMJ-MUYFXNHWSA-N 1 3 308.510 3.578 20 0 DHADHO CC[C@H](C)[C@H](O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449139993 1028394145 /nfs/dbraw/zinc/39/41/45/1028394145.db2.gz BPFJVUWCNSERGG-DOTOQJQBSA-N 1 3 312.542 3.662 20 0 DHADHO CC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449353955 1028587529 /nfs/dbraw/zinc/58/75/29/1028587529.db2.gz IQLHBMJCFPKRRZ-KZNAEPCWSA-N 1 3 322.443 3.922 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC000371109054 1028671346 /nfs/dbraw/zinc/67/13/46/1028671346.db2.gz UKRFJDALTKKVIF-UXHICEINSA-N 1 3 316.489 3.542 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC000371109054 1028671351 /nfs/dbraw/zinc/67/13/51/1028671351.db2.gz UKRFJDALTKKVIF-UXHICEINSA-N 1 3 316.489 3.542 20 0 DHADHO NC[C@H]1CCC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000566226152 1028692055 /nfs/dbraw/zinc/69/20/55/1028692055.db2.gz HYCCRHDUVNALLK-OAHLLOKOSA-N 1 3 314.395 3.699 20 0 DHADHO NC[C@H]1CCC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000566226152 1028692061 /nfs/dbraw/zinc/69/20/61/1028692061.db2.gz HYCCRHDUVNALLK-OAHLLOKOSA-N 1 3 314.395 3.699 20 0 DHADHO [NH3+]C[C@H]1CCCN(CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000566226152 1028692063 /nfs/dbraw/zinc/69/20/63/1028692063.db2.gz HYCCRHDUVNALLK-OAHLLOKOSA-N 1 3 314.395 3.699 20 0 DHADHO CC1(C)SC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000566986511 1028816048 /nfs/dbraw/zinc/81/60/48/1028816048.db2.gz GECJQLSTVXAUCK-FJIDUMEYSA-N 1 3 316.514 3.666 20 0 DHADHO CC1(C)SC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000566986511 1028816052 /nfs/dbraw/zinc/81/60/52/1028816052.db2.gz GECJQLSTVXAUCK-FJIDUMEYSA-N 1 3 316.514 3.666 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628425925 1029051130 /nfs/dbraw/zinc/05/11/30/1029051130.db2.gz ZJAFJPVCJSEUBN-HNNXBMFYSA-N 1 3 314.395 3.569 20 0 DHADHO Cc1nc2c(s1)CCC[C@H]2C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000373540693 1029075834 /nfs/dbraw/zinc/07/58/34/1029075834.db2.gz ZQSJKMYJAWOUQA-AWEZNQCLSA-N 1 3 321.534 3.724 20 0 DHADHO Cc1nc2c(s1)CCC[C@H]2CNC1CC[NH+](C(C)(C)C)CC1 ZINC000373540693 1029075847 /nfs/dbraw/zinc/07/58/47/1029075847.db2.gz ZQSJKMYJAWOUQA-AWEZNQCLSA-N 1 3 321.534 3.724 20 0 DHADHO CC[N@@H+]1CCC[C@@H]1CNC/C(C)=C/c1ccccc1OC(F)F ZINC000568568400 1029092122 /nfs/dbraw/zinc/09/21/22/1029092122.db2.gz AHLMINZRXCWXCT-WSYSLRRZSA-N 1 3 324.415 3.765 20 0 DHADHO CC[N@H+]1CCC[C@@H]1CNC/C(C)=C/c1ccccc1OC(F)F ZINC000568568400 1029092139 /nfs/dbraw/zinc/09/21/39/1029092139.db2.gz AHLMINZRXCWXCT-WSYSLRRZSA-N 1 3 324.415 3.765 20 0 DHADHO CC[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)CCCO1 ZINC000411670326 1029181342 /nfs/dbraw/zinc/18/13/42/1029181342.db2.gz GIGNUWATHRKYOG-HXUWFJFHSA-N 1 3 316.489 3.673 20 0 DHADHO CC[C@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)CCCO1 ZINC000411670325 1029182092 /nfs/dbraw/zinc/18/20/92/1029182092.db2.gz GIGNUWATHRKYOG-FQEVSTJZSA-N 1 3 316.489 3.673 20 0 DHADHO CC[C@H](NCc1ccc(CC[NH3+])cc1)c1cc(C)ccc1OC ZINC000817947652 1029287690 /nfs/dbraw/zinc/28/76/90/1029287690.db2.gz DWKQBOTXUAQEGD-IBGZPJMESA-N 1 3 312.457 3.746 20 0 DHADHO C[C@H]1C[C@@H](NCc2ccc(CC[NH3+])cc2)c2ccsc2S1 ZINC000817948471 1029291994 /nfs/dbraw/zinc/29/19/94/1029291994.db2.gz KMULPFGOVVNLEK-BLLLJJGKSA-N 1 3 318.511 3.965 20 0 DHADHO NC1(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CCC1 ZINC000817964609 1029302041 /nfs/dbraw/zinc/30/20/41/1029302041.db2.gz FWDGAEBBRZCOGZ-AWEZNQCLSA-N 1 3 312.429 3.850 20 0 DHADHO CC(C)C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(Cl)cc1 ZINC000629525712 1029357529 /nfs/dbraw/zinc/35/75/29/1029357529.db2.gz ZTERIJXURVAEMY-MRXNPFEDSA-N 1 3 310.869 3.525 20 0 DHADHO CC[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000629524971 1029358253 /nfs/dbraw/zinc/35/82/53/1029358253.db2.gz WPZNYGXTTCLXFN-CQSZACIVSA-N 1 3 317.260 3.542 20 0 DHADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000629524230 1029358987 /nfs/dbraw/zinc/35/89/87/1029358987.db2.gz OMSKSDIBODPMQL-INIZCTEOSA-N 1 3 310.441 3.512 20 0 DHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000629553926 1029368839 /nfs/dbraw/zinc/36/88/39/1029368839.db2.gz DTBINKJOQRQWSJ-CABCVRRESA-N 1 3 300.368 3.541 20 0 DHADHO CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CN)C1 ZINC000629560124 1029369130 /nfs/dbraw/zinc/36/91/30/1029369130.db2.gz CXGARVLERKGAEL-MGPQQGTHSA-N 1 3 306.416 3.662 20 0 DHADHO CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CN)C1 ZINC000629560124 1029369140 /nfs/dbraw/zinc/36/91/40/1029369140.db2.gz CXGARVLERKGAEL-MGPQQGTHSA-N 1 3 306.416 3.662 20 0 DHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)c2ccccc2)CC1 ZINC000819077800 1029480773 /nfs/dbraw/zinc/48/07/73/1029480773.db2.gz DFPUIYCNVGUFSO-DYESRHJHSA-N 1 3 324.468 3.535 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000450724328 1029635370 /nfs/dbraw/zinc/63/53/70/1029635370.db2.gz GFKJZAJGVVKAGM-SOUVJXGZSA-N 1 3 300.437 3.664 20 0 DHADHO c1cnc2c(c1)cccc2CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820806988 1029769347 /nfs/dbraw/zinc/76/93/47/1029769347.db2.gz WSPZBXGGBHTOOU-CTXDPNEZSA-N 1 3 321.468 3.525 20 0 DHADHO c1cnc2c(c1)cccc2CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820806988 1029769354 /nfs/dbraw/zinc/76/93/54/1029769354.db2.gz WSPZBXGGBHTOOU-CTXDPNEZSA-N 1 3 321.468 3.525 20 0 DHADHO C[C@H]1C[C@H](NCc2cc3nc(Cl)ccc3s2)CC[N@@H+]1C ZINC000585118221 1029781627 /nfs/dbraw/zinc/78/16/27/1029781627.db2.gz HDLVYUHCCSEPPK-WDEREUQCSA-N 1 3 309.866 3.522 20 0 DHADHO C[C@H]1C[C@H](NCc2cc3nc(Cl)ccc3s2)CC[N@H+]1C ZINC000585118221 1029781637 /nfs/dbraw/zinc/78/16/37/1029781637.db2.gz HDLVYUHCCSEPPK-WDEREUQCSA-N 1 3 309.866 3.522 20 0 DHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c2ccccc21 ZINC000530211592 1029783916 /nfs/dbraw/zinc/78/39/16/1029783916.db2.gz MQKNYNUARVBOQR-ZSXDVEMLSA-N 1 3 310.828 3.713 20 0 DHADHO CC1(C)C[C@@H](NCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246158064 1029936311 /nfs/dbraw/zinc/93/63/11/1029936311.db2.gz FOCUTSWMFDREER-NSHDSACASA-N 1 3 301.261 3.656 20 0 DHADHO CC(C)(C)c1csc(CNCC2CC[NH+](CC3CC3)CC2)n1 ZINC000865636265 1029954510 /nfs/dbraw/zinc/95/45/10/1029954510.db2.gz UINJLIJVABBYAZ-UHFFFAOYSA-N 1 3 321.534 3.652 20 0 DHADHO COc1cc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc2ccccc21 ZINC000924651725 1030151560 /nfs/dbraw/zinc/15/15/60/1030151560.db2.gz ZZSRFUAESBUXEX-HZPDHXFCSA-N 1 3 324.468 3.983 20 0 DHADHO COc1cc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc2ccccc21 ZINC000924651725 1030151573 /nfs/dbraw/zinc/15/15/73/1030151573.db2.gz ZZSRFUAESBUXEX-HZPDHXFCSA-N 1 3 324.468 3.983 20 0 DHADHO CCSc1ccccc1C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000924698197 1030162529 /nfs/dbraw/zinc/16/25/29/1030162529.db2.gz XXUHQRBGVGQMLE-CGTJXYLNSA-N 1 3 318.530 3.946 20 0 DHADHO CCSc1ccccc1C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000924698197 1030162540 /nfs/dbraw/zinc/16/25/40/1030162540.db2.gz XXUHQRBGVGQMLE-CGTJXYLNSA-N 1 3 318.530 3.946 20 0 DHADHO CCSc1ccccc1C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000924698198 1030163939 /nfs/dbraw/zinc/16/39/39/1030163939.db2.gz XXUHQRBGVGQMLE-JQHSSLGASA-N 1 3 318.530 3.946 20 0 DHADHO CCSc1ccccc1C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000924698198 1030163942 /nfs/dbraw/zinc/16/39/42/1030163942.db2.gz XXUHQRBGVGQMLE-JQHSSLGASA-N 1 3 318.530 3.946 20 0 DHADHO CCC[C@H](NCC1CC[NH+](CC)CC1)c1ncccc1Cl ZINC000924953945 1030233945 /nfs/dbraw/zinc/23/39/45/1030233945.db2.gz GEJBVBMRZIRZRX-INIZCTEOSA-N 1 3 309.885 3.898 20 0 DHADHO CC1CCC(O)(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000357997441 1030272572 /nfs/dbraw/zinc/27/25/72/1030272572.db2.gz CZPRYALOZOYNBU-FUFFSDJGSA-N 1 3 322.537 3.514 20 0 DHADHO CC1CCC(O)(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000357997441 1030272579 /nfs/dbraw/zinc/27/25/79/1030272579.db2.gz CZPRYALOZOYNBU-FUFFSDJGSA-N 1 3 322.537 3.514 20 0 DHADHO CC(C)[NH+]1CCC(CCN[C@@H](C)c2ccncc2Cl)CC1 ZINC000866470108 1030310867 /nfs/dbraw/zinc/31/08/67/1030310867.db2.gz RPHFUDUUNRYPNN-AWEZNQCLSA-N 1 3 309.885 3.896 20 0 DHADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC(C)(C)CN ZINC001246252955 1030332959 /nfs/dbraw/zinc/33/29/59/1030332959.db2.gz YGDPDXALWWVONK-JTQLQIEISA-N 1 3 304.812 3.514 20 0 DHADHO C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cncn3C)[C@H](C)C2)CC[C@H]1[NH3+] ZINC001171032780 1030397608 /nfs/dbraw/zinc/39/76/08/1030397608.db2.gz WSEQPDICQDXKCW-KKFZBWNWSA-N 1 3 318.509 3.790 20 0 DHADHO C[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000925635613 1030429426 /nfs/dbraw/zinc/42/94/26/1030429426.db2.gz STPUKDOAHHFJOJ-IIBYNOLFSA-N 1 3 323.484 3.586 20 0 DHADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925655074 1030441237 /nfs/dbraw/zinc/44/12/37/1030441237.db2.gz JDCBFIKLJNYHJU-POEZBYADSA-N 1 3 304.865 3.705 20 0 DHADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3ccccc3Cl)C1)[NH2+]2 ZINC000925677042 1030450921 /nfs/dbraw/zinc/45/09/21/1030450921.db2.gz VKKKCUSVXCXOQQ-MCKLEBTQSA-N 1 3 304.865 3.705 20 0 DHADHO CC(C)C[C@H](N)C[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC001246307238 1030485347 /nfs/dbraw/zinc/48/53/47/1030485347.db2.gz DLXMFDUPZCJLHV-OCCSQVGLSA-N 1 3 300.899 3.784 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(C(F)(F)F)cc1 ZINC000925781145 1030495467 /nfs/dbraw/zinc/49/54/67/1030495467.db2.gz XBYPQUQGCJPOML-GXFFZTMASA-N 1 3 322.321 3.601 20 0 DHADHO FC1(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCC1 ZINC000558257530 1030503318 /nfs/dbraw/zinc/50/33/18/1030503318.db2.gz QWJLPWFCYDXCKB-CEXWTWQISA-N 1 3 316.464 3.769 20 0 DHADHO c1ccc(C[NH+]2CCC3(CCN(Cc4ccccn4)C3)CC2)cc1 ZINC000291463010 1030512691 /nfs/dbraw/zinc/51/26/91/1030512691.db2.gz NTTMIWRPZMMXMW-UHFFFAOYSA-N 1 3 321.468 3.570 20 0 DHADHO C[C@H](c1ccncc1)N(C)C/C=C/C[N@H+](C)[C@H](C)c1ccncc1 ZINC000247288248 1030687269 /nfs/dbraw/zinc/68/72/69/1030687269.db2.gz ZABXXYYOGUMVLG-PJHKVULZSA-N 1 3 324.472 3.719 20 0 DHADHO C[C@H](c1ccncc1)N(C)C/C=C/C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000247288248 1030687279 /nfs/dbraw/zinc/68/72/79/1030687279.db2.gz ZABXXYYOGUMVLG-PJHKVULZSA-N 1 3 324.472 3.719 20 0 DHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1coc2ccccc21 ZINC000926287420 1030688129 /nfs/dbraw/zinc/68/81/29/1030688129.db2.gz NWAOUKTYWGTUSU-JKSUJKDBSA-N 1 3 316.445 3.584 20 0 DHADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1coc2ccccc21 ZINC000926287420 1030688138 /nfs/dbraw/zinc/68/81/38/1030688138.db2.gz NWAOUKTYWGTUSU-JKSUJKDBSA-N 1 3 316.445 3.584 20 0 DHADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926573576 1030806290 /nfs/dbraw/zinc/80/62/90/1030806290.db2.gz NTUNMFKHUSUWMO-CVEARBPZSA-N 1 3 313.445 3.724 20 0 DHADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926573576 1030806306 /nfs/dbraw/zinc/80/63/06/1030806306.db2.gz NTUNMFKHUSUWMO-CVEARBPZSA-N 1 3 313.445 3.724 20 0 DHADHO C[C@H](NC1CCC(C)([NH+]2CCC2)CC1)c1cc(O)ccc1F ZINC000927036881 1031046754 /nfs/dbraw/zinc/04/67/54/1031046754.db2.gz KEWWNAGXNPYPMR-VNSJNIRKSA-N 1 3 306.425 3.589 20 0 DHADHO CCC[N@H+](CCCN)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139687 1031254008 /nfs/dbraw/zinc/25/40/08/1031254008.db2.gz POFURIBDASQFEO-AWEZNQCLSA-N 1 3 315.288 3.912 20 0 DHADHO CCC[N@@H+](CCCN)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139687 1031254025 /nfs/dbraw/zinc/25/40/25/1031254025.db2.gz POFURIBDASQFEO-AWEZNQCLSA-N 1 3 315.288 3.912 20 0 DHADHO CC[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000872027083 1031412116 /nfs/dbraw/zinc/41/21/16/1031412116.db2.gz BUBMVQRNUCJPJE-UYAOXDASSA-N 1 3 322.537 3.826 20 0 DHADHO C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cccc([O-])c1F ZINC000872042341 1031427529 /nfs/dbraw/zinc/42/75/29/1031427529.db2.gz NRDWIMHGRMYOHP-FHERZECASA-N 1 3 320.452 3.979 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)C1 ZINC000536848243 1031454810 /nfs/dbraw/zinc/45/48/10/1031454810.db2.gz XBMMZJFEXCSCNS-BHIYHBOVSA-N 1 3 320.521 3.721 20 0 DHADHO CCN1CC[C@H]([N@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H]1C ZINC000929781390 1031604605 /nfs/dbraw/zinc/60/46/05/1031604605.db2.gz PJRGNUYRQDPGPF-DZJNRPSUSA-N 1 3 322.443 3.840 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H]1C ZINC000929781390 1031604616 /nfs/dbraw/zinc/60/46/16/1031604616.db2.gz PJRGNUYRQDPGPF-DZJNRPSUSA-N 1 3 322.443 3.840 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2[nH]c(C)nc2C)CC1)CC(C)C ZINC000930179729 1031722301 /nfs/dbraw/zinc/72/23/01/1031722301.db2.gz OTWSJZPJWQUAIO-UHFFFAOYSA-N 1 3 320.525 3.607 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2[nH]c(C)nc2C)CC1)CC(C)C ZINC000930179729 1031722316 /nfs/dbraw/zinc/72/23/16/1031722316.db2.gz OTWSJZPJWQUAIO-UHFFFAOYSA-N 1 3 320.525 3.607 20 0 DHADHO CCN(Cc1cc2c(s1)CC[NH2+]C2)[C@@H](C)c1cccc(O)c1 ZINC000873207443 1031762079 /nfs/dbraw/zinc/76/20/79/1031762079.db2.gz CAEGJFSZXUAMFB-ZDUSSCGKSA-N 1 3 316.470 3.683 20 0 DHADHO CN1CCCC[C@H]1CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000361331285 1031868857 /nfs/dbraw/zinc/86/88/57/1031868857.db2.gz NKBNDGLQOBFKPZ-KRWDZBQOSA-N 1 3 319.468 3.576 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc(Cl)ccc1Cl ZINC000044535427 1032056374 /nfs/dbraw/zinc/05/63/74/1032056374.db2.gz DQPBPMJBEDEFKJ-NWDGAFQWSA-N 1 3 301.261 3.986 20 0 DHADHO CN1CCC[C@H]1CC[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172818695 1033381499 /nfs/dbraw/zinc/38/14/99/1033381499.db2.gz PZLSWZWDUDCCSW-MHJFOBGBSA-N 1 3 300.490 3.862 20 0 DHADHO C[C@H](CSc1ccc(Cl)cc1)NCCC[NH+]1CCCC1 ZINC001172871908 1033442765 /nfs/dbraw/zinc/44/27/65/1033442765.db2.gz RFQIKVKXOWUSGW-CQSZACIVSA-N 1 3 312.910 3.896 20 0 DHADHO C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCCN1CCCC1 ZINC001172871908 1033442773 /nfs/dbraw/zinc/44/27/73/1033442773.db2.gz RFQIKVKXOWUSGW-CQSZACIVSA-N 1 3 312.910 3.896 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173040955 1033508079 /nfs/dbraw/zinc/50/80/79/1033508079.db2.gz QSQNVMBTPUUKKZ-QGZVFWFLSA-N 1 3 308.510 3.580 20 0 DHADHO CCC(CC)N1CCC([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173045551 1033510452 /nfs/dbraw/zinc/51/04/52/1033510452.db2.gz ZNUDZGVUGOEXBJ-UHFFFAOYSA-N 1 3 322.537 3.968 20 0 DHADHO CCCOC1CCC([N@@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001173094393 1033524438 /nfs/dbraw/zinc/52/44/38/1033524438.db2.gz JLWDZGODVDYJIJ-QHGAOEGBSA-N 1 3 318.505 3.821 20 0 DHADHO CCCOC1CCC([N@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001173094393 1033524441 /nfs/dbraw/zinc/52/44/41/1033524441.db2.gz JLWDZGODVDYJIJ-QHGAOEGBSA-N 1 3 318.505 3.821 20 0 DHADHO CCOCCCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2F)[C@H](C)C1 ZINC000153463688 1033578451 /nfs/dbraw/zinc/57/84/51/1033578451.db2.gz MHEQHVPXHYKAQJ-JTDSTZFVSA-N 1 3 322.468 3.613 20 0 DHADHO CN1CCC[C@H]1CC[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173688550 1033834207 /nfs/dbraw/zinc/83/42/07/1033834207.db2.gz HEFJYFFMAZQDNV-SCCNAQOGSA-N 1 3 312.501 3.887 20 0 DHADHO C[C@@H]1CN(Cc2c(Cl)cccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205985160 1033935372 /nfs/dbraw/zinc/93/53/72/1033935372.db2.gz WGPYICGHEVDZGO-VXGBXAGGSA-N 1 3 301.261 3.800 20 0 DHADHO CC(C)CN(Cc1ncccc1Cl)CC1CC[NH+](C)CC1 ZINC000879703321 1034091464 /nfs/dbraw/zinc/09/14/64/1034091464.db2.gz ICXPKYCNWOSTGK-UHFFFAOYSA-N 1 3 309.885 3.535 20 0 DHADHO CC(C)CN(Cc1ncc(C(C)(C)C)o1)CC1CC[NH+](C)CC1 ZINC000879702606 1034092195 /nfs/dbraw/zinc/09/21/95/1034092195.db2.gz RRSXROCYBZOVGN-UHFFFAOYSA-N 1 3 321.509 3.772 20 0 DHADHO Fc1ccc(C2CCC([NH2+][C@H]3CCNC34CCC4)CC2)cc1 ZINC000863482886 1034108546 /nfs/dbraw/zinc/10/85/46/1034108546.db2.gz MPKOJARBQBZHAG-VJFUWPCTSA-N 1 3 302.437 3.726 20 0 DHADHO C[C@H](CCCC(F)(F)F)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000480174729 1034114515 /nfs/dbraw/zinc/11/45/15/1034114515.db2.gz BBFBMFWPGZZBEY-ILXRZTDVSA-N 1 3 324.431 3.587 20 0 DHADHO CCOc1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c(C)c1 ZINC000667666309 1034211670 /nfs/dbraw/zinc/21/16/70/1034211670.db2.gz JDNRYFYQXUIIRV-APWZRJJASA-N 1 3 304.478 3.556 20 0 DHADHO CCOc1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c(C)c1 ZINC000667666309 1034211683 /nfs/dbraw/zinc/21/16/83/1034211683.db2.gz JDNRYFYQXUIIRV-APWZRJJASA-N 1 3 304.478 3.556 20 0 DHADHO CN(C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000179637739 1034322026 /nfs/dbraw/zinc/32/20/26/1034322026.db2.gz SWZPWLPKQZKAHB-HNNXBMFYSA-N 1 3 300.471 3.799 20 0 DHADHO CN(C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000179637739 1034322037 /nfs/dbraw/zinc/32/20/37/1034322037.db2.gz SWZPWLPKQZKAHB-HNNXBMFYSA-N 1 3 300.471 3.799 20 0 DHADHO c1ccc(CCCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000480879246 1034491896 /nfs/dbraw/zinc/49/18/96/1034491896.db2.gz KYKBTMPITRDPFI-CTNGQTDRSA-N 1 3 312.501 3.958 20 0 DHADHO c1ccc(CCCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000480879246 1034491902 /nfs/dbraw/zinc/49/19/02/1034491902.db2.gz KYKBTMPITRDPFI-CTNGQTDRSA-N 1 3 312.501 3.958 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000482354676 1035086438 /nfs/dbraw/zinc/08/64/38/1035086438.db2.gz GCPLMYYXWCIRPA-SJORKVTESA-N 1 3 300.490 3.946 20 0 DHADHO C[C@@H]1C[C@H](N(C)CCc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000194602475 1035241593 /nfs/dbraw/zinc/24/15/93/1035241593.db2.gz ZBKORHDEHRKUFC-MLGOLLRUSA-N 1 3 315.288 3.950 20 0 DHADHO C[C@@H]1C[C@H](N(C)CCc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000194602475 1035241596 /nfs/dbraw/zinc/24/15/96/1035241596.db2.gz ZBKORHDEHRKUFC-MLGOLLRUSA-N 1 3 315.288 3.950 20 0 DHADHO CCCOc1ccc(C(C)(C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000483277956 1035251014 /nfs/dbraw/zinc/25/10/14/1035251014.db2.gz ASRPREFOGIPWFM-KRWDZBQOSA-N 1 3 304.478 3.784 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCc3ccc4ccccc4c3)CC[C@@H]21 ZINC000483504872 1035274246 /nfs/dbraw/zinc/27/42/46/1035274246.db2.gz LZZRMPHWPJAAIU-RTWAWAEBSA-N 1 3 308.469 3.798 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCc3ccc4ccccc4c3)CC[C@@H]21 ZINC000483504872 1035274248 /nfs/dbraw/zinc/27/42/48/1035274248.db2.gz LZZRMPHWPJAAIU-RTWAWAEBSA-N 1 3 308.469 3.798 20 0 DHADHO CN1C[C@]23C[N@H+](CCOC4CCCCCC4)C[C@@]2(C1)CCCC3 ZINC001177007593 1035342736 /nfs/dbraw/zinc/34/27/36/1035342736.db2.gz AHSMWDZIGDUKMB-BGYRXZFFSA-N 1 3 320.521 3.534 20 0 DHADHO CN1C[C@]23C[N@@H+](CCOC4CCCCCC4)C[C@@]2(C1)CCCC3 ZINC001177007593 1035342741 /nfs/dbraw/zinc/34/27/41/1035342741.db2.gz AHSMWDZIGDUKMB-BGYRXZFFSA-N 1 3 320.521 3.534 20 0 DHADHO Cc1ccc(CNCc2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000195436244 1035568690 /nfs/dbraw/zinc/56/86/90/1035568690.db2.gz SSVMKIVGJOSZRD-UHFFFAOYSA-N 1 3 302.849 4.000 20 0 DHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000191498044 1035693865 /nfs/dbraw/zinc/69/38/65/1035693865.db2.gz OKZYULUGWVBSGM-LJQANCHMSA-N 1 3 323.569 3.551 20 0 DHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000191498044 1035693877 /nfs/dbraw/zinc/69/38/77/1035693877.db2.gz OKZYULUGWVBSGM-LJQANCHMSA-N 1 3 323.569 3.551 20 0 DHADHO Cc1c([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)cnn1C(C)C ZINC000191500040 1035696635 /nfs/dbraw/zinc/69/66/35/1035696635.db2.gz PCVRFJUYESKANT-HNNXBMFYSA-N 1 3 306.498 3.545 20 0 DHADHO COc1ccsc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000539852745 1035909597 /nfs/dbraw/zinc/90/95/97/1035909597.db2.gz NNGMQIBXATZGGM-UHFFFAOYSA-N 1 3 322.518 3.845 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCOc1ccccc1C(C)(C)C ZINC000540177628 1036001220 /nfs/dbraw/zinc/00/12/20/1036001220.db2.gz PXNXMEGBWBFZTF-SOLBZPMBSA-N 1 3 318.505 3.681 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCOc1ccccc1C(C)(C)C ZINC000540177628 1036001240 /nfs/dbraw/zinc/00/12/40/1036001240.db2.gz PXNXMEGBWBFZTF-SOLBZPMBSA-N 1 3 318.505 3.681 20 0 DHADHO CCCCN1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000486725287 1036371236 /nfs/dbraw/zinc/37/12/36/1036371236.db2.gz WWNXNKLUQZXPFD-UHFFFAOYSA-N 1 3 303.425 3.661 20 0 DHADHO Cc1ccccc1C[NH+]1CCC(NC/C=C\c2ccncc2)CC1 ZINC000486963562 1036490241 /nfs/dbraw/zinc/49/02/41/1036490241.db2.gz FRMLPHKMSARCLV-XQRVVYSFSA-N 1 3 321.468 3.657 20 0 DHADHO CCCC[N@H+](C[C@H]1CCCC[C@@H]1O)C1CC(C)(C)NC(C)(C)C1 ZINC001196546499 1036564551 /nfs/dbraw/zinc/56/45/51/1036564551.db2.gz ZOOCMQBDSRJNBL-AEFFLSMTSA-N 1 3 324.553 3.949 20 0 DHADHO CCCC[N@@H+](C[C@H]1CCCC[C@@H]1O)C1CC(C)(C)NC(C)(C)C1 ZINC001196546499 1036564560 /nfs/dbraw/zinc/56/45/60/1036564560.db2.gz ZOOCMQBDSRJNBL-AEFFLSMTSA-N 1 3 324.553 3.949 20 0 DHADHO CCCC[N@H+](CC[C@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196544809 1036566202 /nfs/dbraw/zinc/56/62/02/1036566202.db2.gz IULLZAPZLNHLSC-INIZCTEOSA-N 1 3 310.526 3.824 20 0 DHADHO CCCC[N@@H+](CC[C@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196544809 1036566211 /nfs/dbraw/zinc/56/62/11/1036566211.db2.gz IULLZAPZLNHLSC-INIZCTEOSA-N 1 3 310.526 3.824 20 0 DHADHO COc1cc(Cl)ccc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001196790478 1036610760 /nfs/dbraw/zinc/61/07/60/1036610760.db2.gz USKFNLYMEHQTIS-UHFFFAOYSA-N 1 3 322.880 3.656 20 0 DHADHO C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc4ccccc43)C[C@@H]2C1 ZINC001196789873 1036612203 /nfs/dbraw/zinc/61/22/03/1036612203.db2.gz PEICGVOJDHXDHU-WBVHZDCISA-N 1 3 314.860 3.877 20 0 DHADHO C[N@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc4ccccc43)C[C@@H]2C1 ZINC001196789873 1036612211 /nfs/dbraw/zinc/61/22/11/1036612211.db2.gz PEICGVOJDHXDHU-WBVHZDCISA-N 1 3 314.860 3.877 20 0 DHADHO C[C@H]1CN(Cc2ccc(C3CC3)cc2)CCN1c1cc[nH+]cc1 ZINC001183532603 1036623222 /nfs/dbraw/zinc/62/32/22/1036623222.db2.gz FGGQESWQYWWZTI-INIZCTEOSA-N 1 3 307.441 3.670 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@](C)([NH3+])CC1 ZINC001205280731 1036655964 /nfs/dbraw/zinc/65/59/64/1036655964.db2.gz HHYBGVZXQXDLKW-HNNXBMFYSA-N 1 3 300.368 3.717 20 0 DHADHO C[C@H]([NH2+]C/C=C/c1ccncc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000487566656 1036686674 /nfs/dbraw/zinc/68/66/74/1036686674.db2.gz WQPCUSJSIDOXCZ-NLOMCHEHSA-N 1 3 321.468 3.595 20 0 DHADHO Cc1cccc(CCC[N@@H+]2CCN(c3ccncc3)[C@@H](C)C2)c1 ZINC001197369025 1036766245 /nfs/dbraw/zinc/76/62/45/1036766245.db2.gz ROSWBFCJILYJHN-SFHVURJKSA-N 1 3 309.457 3.533 20 0 DHADHO Cc1cccc(CCC[N@H+]2CCN(c3ccncc3)[C@@H](C)C2)c1 ZINC001197369025 1036766268 /nfs/dbraw/zinc/76/62/68/1036766268.db2.gz ROSWBFCJILYJHN-SFHVURJKSA-N 1 3 309.457 3.533 20 0 DHADHO Cc1cccc(CCCN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC001197369025 1036766290 /nfs/dbraw/zinc/76/62/90/1036766290.db2.gz ROSWBFCJILYJHN-SFHVURJKSA-N 1 3 309.457 3.533 20 0 DHADHO C[C@H]1CN(Cc2ccc3ccccc3c2)CCN1c1cc[nH+]cc1 ZINC001197368837 1036767020 /nfs/dbraw/zinc/76/70/20/1036767020.db2.gz NEVTXPBIXXYGPL-KRWDZBQOSA-N 1 3 317.436 3.946 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cc3ccc(F)cc3[nH]2)C[C@H]1C ZINC000488304581 1036956094 /nfs/dbraw/zinc/95/60/94/1036956094.db2.gz WQYMFWHAXUADHG-DYVFJYSZSA-N 1 3 303.425 3.612 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)C[C@H]1C ZINC000488304581 1036956117 /nfs/dbraw/zinc/95/61/17/1036956117.db2.gz WQYMFWHAXUADHG-DYVFJYSZSA-N 1 3 303.425 3.612 20 0 DHADHO CC(C)[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CS1 ZINC000488446243 1037028262 /nfs/dbraw/zinc/02/82/62/1037028262.db2.gz JXHSTUCKGJBLAE-WMZOPIPTSA-N 1 3 310.551 3.903 20 0 DHADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000488446243 1037028280 /nfs/dbraw/zinc/02/82/80/1037028280.db2.gz JXHSTUCKGJBLAE-WMZOPIPTSA-N 1 3 310.551 3.903 20 0 DHADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CS1 ZINC000488587182 1037083020 /nfs/dbraw/zinc/08/30/20/1037083020.db2.gz YAORRBPWPRNPEG-CVYDXHPNSA-N 1 3 310.551 3.759 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000570249169 1037136421 /nfs/dbraw/zinc/13/64/21/1037136421.db2.gz VNPPPAAJNQLRLM-YZGWKJHDSA-N 1 3 300.490 3.817 20 0 DHADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc2c(s1)CCCC2 ZINC000322431113 1037208439 /nfs/dbraw/zinc/20/84/39/1037208439.db2.gz OREKIEZFZHQBIE-OHRKKDJYSA-N 1 3 304.503 3.903 20 0 DHADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2c(s1)CCCC2 ZINC000322431113 1037208445 /nfs/dbraw/zinc/20/84/45/1037208445.db2.gz OREKIEZFZHQBIE-OHRKKDJYSA-N 1 3 304.503 3.903 20 0 DHADHO Cc1cccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1F ZINC001199320134 1037244862 /nfs/dbraw/zinc/24/48/62/1037244862.db2.gz INHLXEBKLMNMNO-HZPDHXFCSA-N 1 3 306.469 3.982 20 0 DHADHO CCN1CC[C@@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000194059036 1037353810 /nfs/dbraw/zinc/35/38/10/1037353810.db2.gz OJICFAUTFHDJCT-SFHVURJKSA-N 1 3 308.469 3.750 20 0 DHADHO CC[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000490178270 1037630771 /nfs/dbraw/zinc/63/07/71/1037630771.db2.gz KWQWNUOUQVDGOD-DOTOQJQBSA-N 1 3 307.457 3.916 20 0 DHADHO CC[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000490178270 1037630780 /nfs/dbraw/zinc/63/07/80/1037630780.db2.gz KWQWNUOUQVDGOD-DOTOQJQBSA-N 1 3 307.457 3.916 20 0 DHADHO CN(C)[C@H]1CCC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183726728 1037703689 /nfs/dbraw/zinc/70/36/89/1037703689.db2.gz ZQLCTYGSVGJFFC-WUCCLRPBSA-N 1 3 306.416 3.818 20 0 DHADHO CC(C)O[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(C)C ZINC000185234114 1037788400 /nfs/dbraw/zinc/78/84/00/1037788400.db2.gz IVPFZMMQBVQFEZ-ZWKOTPCHSA-N 1 3 308.510 3.575 20 0 DHADHO c1ccc(CCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001201604419 1037804635 /nfs/dbraw/zinc/80/46/35/1037804635.db2.gz WJBLZSQDYSZFPZ-QFIPXVFZSA-N 1 3 320.480 3.827 20 0 DHADHO c1ccc(CCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001201604419 1037804648 /nfs/dbraw/zinc/80/46/48/1037804648.db2.gz WJBLZSQDYSZFPZ-QFIPXVFZSA-N 1 3 320.480 3.827 20 0 DHADHO c1ccc(CCN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201606206 1037804963 /nfs/dbraw/zinc/80/49/63/1037804963.db2.gz OYIPNUMKDIPPFE-YADHBBJMSA-N 1 3 320.480 3.683 20 0 DHADHO c1ccc(CCN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201606206 1037804989 /nfs/dbraw/zinc/80/49/89/1037804989.db2.gz OYIPNUMKDIPPFE-YADHBBJMSA-N 1 3 320.480 3.683 20 0 DHADHO c1ccc(CC[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201606206 1037805001 /nfs/dbraw/zinc/80/50/01/1037805001.db2.gz OYIPNUMKDIPPFE-YADHBBJMSA-N 1 3 320.480 3.683 20 0 DHADHO c1ccc(CC[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201606206 1037805023 /nfs/dbraw/zinc/80/50/23/1037805023.db2.gz OYIPNUMKDIPPFE-YADHBBJMSA-N 1 3 320.480 3.683 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000037644642 1037835620 /nfs/dbraw/zinc/83/56/20/1037835620.db2.gz WJTSDFUVUGDDML-JSGCOSHPSA-N 1 3 309.523 3.741 20 0 DHADHO COc1ccc(C[NH2+]CC2(CN(C)C)CCCC2)cc1Cl ZINC001201928449 1037926672 /nfs/dbraw/zinc/92/66/72/1037926672.db2.gz AIEZXYZZBUMNQG-UHFFFAOYSA-N 1 3 310.869 3.560 20 0 DHADHO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000125983891 1038010717 /nfs/dbraw/zinc/01/07/17/1038010717.db2.gz OYYQJCIPPATWIS-IRXDYDNUSA-N 1 3 304.478 3.856 20 0 DHADHO Cc1nc2ccc(C[NH2+]CCCN3CCCCC3)cc2s1 ZINC000494328848 1038045482 /nfs/dbraw/zinc/04/54/82/1038045482.db2.gz JXRUHYKBMGTIED-UHFFFAOYSA-N 1 3 303.475 3.570 20 0 DHADHO COc1ccc([C@@H]2CCCN2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168380428 1038191997 /nfs/dbraw/zinc/19/19/97/1038191997.db2.gz SKYOOUWPVJOMCR-FQEVSTJZSA-N 1 3 314.473 3.707 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2CC=CC2)ccc1OC ZINC000775401682 1038358659 /nfs/dbraw/zinc/35/86/59/1038358659.db2.gz RDKCXPKBRBFGFB-HNNXBMFYSA-N 1 3 302.462 3.906 20 0 DHADHO COCC[C@@H](c1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001191070940 1038430690 /nfs/dbraw/zinc/43/06/90/1038430690.db2.gz QWCCLBGYBFGHLG-ICSRJNTNSA-N 1 3 316.489 3.572 20 0 DHADHO COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001191070940 1038430694 /nfs/dbraw/zinc/43/06/94/1038430694.db2.gz QWCCLBGYBFGHLG-ICSRJNTNSA-N 1 3 316.489 3.572 20 0 DHADHO COCC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001191070940 1038430700 /nfs/dbraw/zinc/43/07/00/1038430700.db2.gz QWCCLBGYBFGHLG-ICSRJNTNSA-N 1 3 316.489 3.572 20 0 DHADHO CC[NH+](CC)Cc1cccc(CNCc2n[nH]c3ccccc23)c1 ZINC000589641393 1038527607 /nfs/dbraw/zinc/52/76/07/1038527607.db2.gz LSFNJNPGSOLROM-UHFFFAOYSA-N 1 3 322.456 3.695 20 0 DHADHO CC[NH+](CC)Cc1cccc(CNCc2[nH]nc3ccccc32)c1 ZINC000589641393 1038527613 /nfs/dbraw/zinc/52/76/13/1038527613.db2.gz LSFNJNPGSOLROM-UHFFFAOYSA-N 1 3 322.456 3.695 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168405669 1039913124 /nfs/dbraw/zinc/91/31/24/1039913124.db2.gz TVLAFNCIQNBBKV-KXBFYZLASA-N 1 3 304.453 3.537 20 0 DHADHO c1ccc2cc(CCN3CC[C@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000606903219 1040033436 /nfs/dbraw/zinc/03/34/36/1040033436.db2.gz ZPXZKAGHIWTKFV-LJQANCHMSA-N 1 3 308.469 3.800 20 0 DHADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000534347212 1040814051 /nfs/dbraw/zinc/81/40/51/1040814051.db2.gz AZAACRKHXAFDRR-QAPCUYQASA-N 1 3 304.478 3.955 20 0 DHADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000534347212 1040814056 /nfs/dbraw/zinc/81/40/56/1040814056.db2.gz AZAACRKHXAFDRR-QAPCUYQASA-N 1 3 304.478 3.955 20 0 DHADHO CC(C)[NH+]1CCC(NCCc2ccc(Cl)cc2Cl)CC1 ZINC000019985533 182173847 /nfs/dbraw/zinc/17/38/47/182173847.db2.gz KJABWMSOFKXOKG-UHFFFAOYSA-N 1 3 315.288 3.998 20 0 DHADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626150 184179335 /nfs/dbraw/zinc/17/93/35/184179335.db2.gz YHERZZPBAXHARD-LALPHHSUSA-N 1 3 300.368 3.524 20 0 DHADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000279741887 130760830 /nfs/dbraw/zinc/76/08/30/130760830.db2.gz PADUPXHRCXQKPJ-UZLBHIALSA-N 1 3 312.457 3.614 20 0 DHADHO C[C@@H](c1ccccn1)[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285614897 131186258 /nfs/dbraw/zinc/18/62/58/131186258.db2.gz QHLIZXZCHZWVBJ-RXVVDRJESA-N 1 3 321.468 3.741 20 0 DHADHO C[C@@H](c1ccccn1)[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285614897 131186260 /nfs/dbraw/zinc/18/62/60/131186260.db2.gz QHLIZXZCHZWVBJ-RXVVDRJESA-N 1 3 321.468 3.741 20 0 DHADHO CC[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C)c1 ZINC000286292718 131228834 /nfs/dbraw/zinc/22/88/34/131228834.db2.gz WHBSOKYWJWPDRB-YLJYHZDGSA-N 1 3 316.489 3.537 20 0 DHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(F)c1 ZINC000340595980 132051529 /nfs/dbraw/zinc/05/15/29/132051529.db2.gz GZDPXODXWXXGLK-UHFFFAOYSA-N 1 3 300.421 3.909 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1)CN(C)C ZINC000391742474 335087453 /nfs/dbraw/zinc/08/74/53/335087453.db2.gz SJVDPAWZJVZIJH-MSOLQXFVSA-N 1 3 310.485 3.994 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000556872996 331745789 /nfs/dbraw/zinc/74/57/89/331745789.db2.gz SXAFTJJHCRIBJL-COXVUDFISA-N 1 3 310.432 3.748 20 0 DHADHO CC(C)[NH2+]CCCN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000566088481 331957662 /nfs/dbraw/zinc/95/76/62/331957662.db2.gz TWSHXEDOFZCTPE-ZDUSSCGKSA-N 1 3 302.384 3.614 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NC[C@@H](c2ccccc2)N2CCCC2)c2ccccc21 ZINC000261764033 332001361 /nfs/dbraw/zinc/00/13/61/332001361.db2.gz WAJHJCATJGPIFW-NJYVYQBISA-N 1 3 321.468 3.558 20 0 DHADHO C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)N1CCCC[C@@H]1C ZINC000584251252 332014010 /nfs/dbraw/zinc/01/40/10/332014010.db2.gz FYNPDZIJZZQLNT-ZWKOTPCHSA-N 1 3 321.553 3.636 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000091959921 332097146 /nfs/dbraw/zinc/09/71/46/332097146.db2.gz OQTDNWOAXFMVIV-TYNCELHUSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000091959921 332097148 /nfs/dbraw/zinc/09/71/48/332097148.db2.gz OQTDNWOAXFMVIV-TYNCELHUSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000091959909 332116155 /nfs/dbraw/zinc/11/61/55/332116155.db2.gz DKAVZMGNKOCYHM-XUJVJEKNSA-N 1 3 311.267 3.582 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000091959909 332116157 /nfs/dbraw/zinc/11/61/57/332116157.db2.gz DKAVZMGNKOCYHM-XUJVJEKNSA-N 1 3 311.267 3.582 20 0 DHADHO CC[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(OC(F)F)cc1 ZINC000566245011 332276700 /nfs/dbraw/zinc/27/67/00/332276700.db2.gz HNPDPONADIWHQE-QGZVFWFLSA-N 1 3 320.383 3.988 20 0 DHADHO COc1cc(C)cc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559787065 332282006 /nfs/dbraw/zinc/28/20/06/332282006.db2.gz MHSULWANCKTXAX-TZIWHRDSSA-N 1 3 324.468 3.929 20 0 DHADHO COc1cc(C)cc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559787065 332282007 /nfs/dbraw/zinc/28/20/07/332282007.db2.gz MHSULWANCKTXAX-TZIWHRDSSA-N 1 3 324.468 3.929 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000560144930 332314535 /nfs/dbraw/zinc/31/45/35/332314535.db2.gz CTNFODVMFPWTSA-MUYFXNHWSA-N 1 3 308.510 3.577 20 0 DHADHO FC1(F)CCC[C@@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000449499627 332314959 /nfs/dbraw/zinc/31/49/59/332314959.db2.gz UBHXMQXKCJNOSW-CQSZACIVSA-N 1 3 300.437 3.809 20 0 DHADHO FC1(F)CCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449499627 332314960 /nfs/dbraw/zinc/31/49/60/332314960.db2.gz UBHXMQXKCJNOSW-CQSZACIVSA-N 1 3 300.437 3.809 20 0 DHADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000387555169 332358828 /nfs/dbraw/zinc/35/88/28/332358828.db2.gz RJMGXXHVUIXGNC-IAGOWNOFSA-N 1 3 304.478 3.858 20 0 DHADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000387555168 332358885 /nfs/dbraw/zinc/35/88/85/332358885.db2.gz RJMGXXHVUIXGNC-DLBZAZTESA-N 1 3 304.478 3.858 20 0 DHADHO CCC[NH+]1CCC(CNCc2cscc2C(F)(F)F)CC1 ZINC000562068305 332541325 /nfs/dbraw/zinc/54/13/25/332541325.db2.gz RPXYYKAWMUKWGK-UHFFFAOYSA-N 1 3 320.424 3.979 20 0 DHADHO Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000580312389 333097858 /nfs/dbraw/zinc/09/78/58/333097858.db2.gz LWUWJPVHOJSZLJ-LBPRGKRZSA-N 1 3 303.475 3.884 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000068634078 333129771 /nfs/dbraw/zinc/12/97/71/333129771.db2.gz KOBFOVVJGISCSN-WLYUNCDWSA-N 1 3 306.416 3.962 20 0 DHADHO C[NH+](C)CCCC1CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411422023 333669893 /nfs/dbraw/zinc/66/98/93/333669893.db2.gz IZGYQIPUZMOBLO-RBUKOAKNSA-N 1 3 304.453 3.735 20 0 DHADHO COCC1CCC([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000414315701 333938324 /nfs/dbraw/zinc/93/83/24/333938324.db2.gz SIQPOIXSRURHCR-USWSCHJFSA-N 1 3 322.537 3.824 20 0 DHADHO COc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1C ZINC000273025912 334042142 /nfs/dbraw/zinc/04/21/42/334042142.db2.gz DLBXEOZUGVAFFY-INIZCTEOSA-N 1 3 312.457 3.916 20 0 DHADHO C[NH2+]C[C@H]1CCCN(C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414659209 334059132 /nfs/dbraw/zinc/05/91/32/334059132.db2.gz SIXNWWYQCXDYBA-UONOGXRCSA-N 1 3 314.395 3.740 20 0 DHADHO C[C@@H](N)[C@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414657632 334059596 /nfs/dbraw/zinc/05/95/96/334059596.db2.gz HVYOIIHOHFBGEV-GCJKJVERSA-N 1 3 322.496 3.757 20 0 DHADHO C[C@@H](N)[C@H]1CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414657632 334059597 /nfs/dbraw/zinc/05/95/97/334059597.db2.gz HVYOIIHOHFBGEV-GCJKJVERSA-N 1 3 322.496 3.757 20 0 DHADHO COc1cc(-c2ccccc2)ccc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000414670468 334064798 /nfs/dbraw/zinc/06/47/98/334064798.db2.gz LBGMXGOTBPHVTH-INIZCTEOSA-N 1 3 324.468 3.921 20 0 DHADHO CC1CCC(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)CC1 ZINC000414720197 334074001 /nfs/dbraw/zinc/07/40/01/334074001.db2.gz XNAYKURTDOPEBI-QLOJAFMTSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@@H](CN(C)[C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414731106 334075306 /nfs/dbraw/zinc/07/53/06/334075306.db2.gz FDXUGRVMASILEK-BBRMVZONSA-N 1 3 314.395 3.883 20 0 DHADHO C[C@@H](C[N@H+](C)[C@H]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414731106 334075307 /nfs/dbraw/zinc/07/53/07/334075307.db2.gz FDXUGRVMASILEK-BBRMVZONSA-N 1 3 314.395 3.883 20 0 DHADHO C[C@@H](C[N@@H+](C)[C@H]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414731106 334075308 /nfs/dbraw/zinc/07/53/08/334075308.db2.gz FDXUGRVMASILEK-BBRMVZONSA-N 1 3 314.395 3.883 20 0 DHADHO C[C@@H]1C[C@@H](CN2CCCC[C@@H]2c2nc3ccccc3o2)CC[NH2+]1 ZINC000414760103 334086835 /nfs/dbraw/zinc/08/68/35/334086835.db2.gz XUBJLWBXMXAODJ-HLLBOEOZSA-N 1 3 313.445 3.743 20 0 DHADHO FC(F)(F)c1cccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414781193 334093586 /nfs/dbraw/zinc/09/35/86/334093586.db2.gz MRKMJCWPXVEMCI-HUUCEWRRSA-N 1 3 312.379 3.527 20 0 DHADHO COc1ccc(C2CCC([NH2+][C@@H]3CCCC[C@H]3CN)CC2)cc1 ZINC000414809888 334104776 /nfs/dbraw/zinc/10/47/76/334104776.db2.gz UUAQQIJQZBRVLJ-ZXQWHALDSA-N 1 3 316.489 3.829 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CNCc2cccc(Br)c2)cc1 ZINC000414811261 334105871 /nfs/dbraw/zinc/10/58/71/334105871.db2.gz PNXBMJDZFXSASC-GFCCVEGCSA-N 1 3 319.246 3.759 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCCNC2)cc1 ZINC000414827962 334109988 /nfs/dbraw/zinc/10/99/88/334109988.db2.gz LHTFXPBACVISNX-VDGAXYAQSA-N 1 3 316.489 3.699 20 0 DHADHO NC1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CCCCC1 ZINC000414834930 334111235 /nfs/dbraw/zinc/11/12/35/334111235.db2.gz CKZRRJDONMMWSC-UHFFFAOYSA-N 1 3 303.837 3.639 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)NCC1([NH3+])CCCCC1 ZINC000414848086 334120353 /nfs/dbraw/zinc/12/03/53/334120353.db2.gz VSSUAIXQHBEUGJ-CYBMUJFWSA-N 1 3 314.395 3.888 20 0 DHADHO CNCCC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414862180 334133041 /nfs/dbraw/zinc/13/30/41/334133041.db2.gz VCSWEQIYUPAHQD-GJZGRUSLSA-N 1 3 300.368 3.541 20 0 DHADHO C[NH2+]CCCN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414862180 334133044 /nfs/dbraw/zinc/13/30/44/334133044.db2.gz VCSWEQIYUPAHQD-GJZGRUSLSA-N 1 3 300.368 3.541 20 0 DHADHO Fc1ccccc1CCC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000366836005 335178960 /nfs/dbraw/zinc/17/89/60/335178960.db2.gz CTOMJJABAZVUOM-UHFFFAOYSA-N 1 3 304.453 3.755 20 0 DHADHO Fc1ccccc1CCCNC1CC[NH+](C2CCCC2)CC1 ZINC000366836005 335178962 /nfs/dbraw/zinc/17/89/62/335178962.db2.gz CTOMJJABAZVUOM-UHFFFAOYSA-N 1 3 304.453 3.755 20 0 DHADHO N[C@H](C[NH2+]Cc1ccc(-c2ccccc2Cl)s1)C1CC1 ZINC000414898749 334161906 /nfs/dbraw/zinc/16/19/06/334161906.db2.gz TXMCFNNJAIXBPS-OAHLLOKOSA-N 1 3 306.862 3.895 20 0 DHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414901547 334165479 /nfs/dbraw/zinc/16/54/79/334165479.db2.gz GDJNWIJWEHZANN-XJKSGUPXSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414901547 334165482 /nfs/dbraw/zinc/16/54/82/334165482.db2.gz GDJNWIJWEHZANN-XJKSGUPXSA-N 1 3 314.395 3.616 20 0 DHADHO CC(C)O[C@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)c1ccccc1 ZINC000292805368 334192609 /nfs/dbraw/zinc/19/26/09/334192609.db2.gz LAZNJKVNYHBTPU-RBUKOAKNSA-N 1 3 304.478 3.569 20 0 DHADHO CC(C)O[C@H](C[N@H+]1CCC[C@H](N(C)C)CC1)c1ccccc1 ZINC000292805368 334192610 /nfs/dbraw/zinc/19/26/10/334192610.db2.gz LAZNJKVNYHBTPU-RBUKOAKNSA-N 1 3 304.478 3.569 20 0 DHADHO N[C@@H]1CCC[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000414932176 334195268 /nfs/dbraw/zinc/19/52/68/334195268.db2.gz VMQUTVQFHLJLDD-NEPJUHHUSA-N 1 3 301.261 3.786 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCCCc2c(Cl)cccc2Cl)C1 ZINC000414932176 334195269 /nfs/dbraw/zinc/19/52/69/334195269.db2.gz VMQUTVQFHLJLDD-NEPJUHHUSA-N 1 3 301.261 3.786 20 0 DHADHO C[C@H](CN[C@@H]1CCC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415083990 334272326 /nfs/dbraw/zinc/27/23/26/334272326.db2.gz ONHJQMFJHDTJRT-VXGBXAGGSA-N 1 3 301.261 3.829 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCCNCC1)c1c(Cl)cccc1Cl ZINC000415083990 334272328 /nfs/dbraw/zinc/27/23/28/334272328.db2.gz ONHJQMFJHDTJRT-VXGBXAGGSA-N 1 3 301.261 3.829 20 0 DHADHO C[C@@H]1CNCC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414946369 334205307 /nfs/dbraw/zinc/20/53/07/334205307.db2.gz TWQSXPMKJLRCMQ-IAQYHMDHSA-N 1 3 301.261 3.514 20 0 DHADHO C[C@@H]1C[NH2+]CC[C@H]1NCCCc1c(Cl)cccc1Cl ZINC000414946369 334205308 /nfs/dbraw/zinc/20/53/08/334205308.db2.gz TWQSXPMKJLRCMQ-IAQYHMDHSA-N 1 3 301.261 3.514 20 0 DHADHO C[C@@H]1C[C@H]([NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC000414954314 334207917 /nfs/dbraw/zinc/20/79/17/334207917.db2.gz SNSQKZZEGITUTL-BVYCBKJFSA-N 1 3 322.496 3.961 20 0 DHADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCN1 ZINC000414955764 334208259 /nfs/dbraw/zinc/20/82/59/334208259.db2.gz UOGRZDLIKDXPKY-IUODEOHRSA-N 1 3 304.434 3.784 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414957184 334208725 /nfs/dbraw/zinc/20/87/25/334208725.db2.gz NWSWUUJOYCSYLA-WBMJQRKESA-N 1 3 304.434 3.642 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCCCCOc3ccccc3)CC[C@@H]21 ZINC000187468866 334209203 /nfs/dbraw/zinc/20/92/03/334209203.db2.gz LSVVMIVIUDMGGW-QUCCMNQESA-N 1 3 316.489 3.652 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCCCCOc3ccccc3)CC[C@@H]21 ZINC000187468866 334209205 /nfs/dbraw/zinc/20/92/05/334209205.db2.gz LSVVMIVIUDMGGW-QUCCMNQESA-N 1 3 316.489 3.652 20 0 DHADHO Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCN[C@@H](C)C3)s2)cc1 ZINC000414959014 334211114 /nfs/dbraw/zinc/21/11/14/334211114.db2.gz WWHKZSLKTOYEPT-GOEBONIOSA-N 1 3 300.471 3.954 20 0 DHADHO COC(C)(C)[C@@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000340474999 334211955 /nfs/dbraw/zinc/21/19/55/334211955.db2.gz VCBZQNXQWSNZHM-MRXNPFEDSA-N 1 3 304.478 3.576 20 0 DHADHO COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1CN1CCCCC1 ZINC000340474999 334211957 /nfs/dbraw/zinc/21/19/57/334211957.db2.gz VCBZQNXQWSNZHM-MRXNPFEDSA-N 1 3 304.478 3.576 20 0 DHADHO Fc1ccc(-c2nc(CNCCC[C@@H]3CCC[NH2+]3)cs2)cc1 ZINC000414976821 334222821 /nfs/dbraw/zinc/22/28/21/334222821.db2.gz QKEJFFIOJXDUKE-OAHLLOKOSA-N 1 3 319.449 3.571 20 0 DHADHO FC(F)Oc1ccc(Cl)cc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414983304 334227043 /nfs/dbraw/zinc/22/70/43/334227043.db2.gz ZJIBPNLHCBJVFZ-CYBMUJFWSA-N 1 3 318.795 3.563 20 0 DHADHO C[C@H](CC[NH2+][C@H]1CCCNCC1)c1cccc(C(F)(F)F)c1 ZINC000415085490 334274127 /nfs/dbraw/zinc/27/41/27/334274127.db2.gz IHQOCXNHGDTHHI-CJNGLKHVSA-N 1 3 314.395 3.931 20 0 DHADHO C[C@H](CCN[C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415085490 334274128 /nfs/dbraw/zinc/27/41/28/334274128.db2.gz IHQOCXNHGDTHHI-CJNGLKHVSA-N 1 3 314.395 3.931 20 0 DHADHO C[C@@H](CCCC[NH3+])NCc1cc(Cl)ccc1OC(F)F ZINC000415014866 334258688 /nfs/dbraw/zinc/25/86/88/334258688.db2.gz NHMGCNVOWRCJHS-JTQLQIEISA-N 1 3 306.784 3.549 20 0 DHADHO [NH3+]C[C@H]1CC[C@H](CNCc2csc(Cl)c2Cl)CC1 ZINC000415018461 334258973 /nfs/dbraw/zinc/25/89/73/334258973.db2.gz CCRGRKVWPIYNMK-MGCOHNPYSA-N 1 3 307.290 3.910 20 0 DHADHO c1ccc([C@H]2C[C@H](NCc3cccc4c3CCCN4)CC[NH2+]2)cc1 ZINC000415029109 334260059 /nfs/dbraw/zinc/26/00/59/334260059.db2.gz DECOAYXHONBGKK-WIYYLYMNSA-N 1 3 321.468 3.628 20 0 DHADHO [NH3+]C[C@H]1CC[C@@H](NCc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415032829 334260305 /nfs/dbraw/zinc/26/03/05/334260305.db2.gz IKFOZFAWAGNQFV-JOYOIKCWSA-N 1 3 306.759 3.576 20 0 DHADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415032825 334260372 /nfs/dbraw/zinc/26/03/72/334260372.db2.gz IKFOZFAWAGNQFV-BXKDBHETSA-N 1 3 306.759 3.576 20 0 DHADHO c1ccc(OCCCCC[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1 ZINC000415036687 334260461 /nfs/dbraw/zinc/26/04/61/334260461.db2.gz GAMFCXPQCQPFAK-LEWJYISDSA-N 1 3 324.468 3.581 20 0 DHADHO c1cncc(-c2cccc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)c1 ZINC000415056982 334261728 /nfs/dbraw/zinc/26/17/28/334261728.db2.gz STSQCKGTLXKORJ-NHCUHLMSSA-N 1 3 321.468 3.713 20 0 DHADHO Cc1cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2cccnc12 ZINC000415058696 334262094 /nfs/dbraw/zinc/26/20/94/334262094.db2.gz WAQSABXFNQTXTA-OALUTQOASA-N 1 3 309.457 3.507 20 0 DHADHO COc1ccccc1[C@H](NC[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000415076335 334268810 /nfs/dbraw/zinc/26/88/10/334268810.db2.gz AUTRBEMTWSLJPI-CBGDNZLLSA-N 1 3 324.468 3.762 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000415079124 334270329 /nfs/dbraw/zinc/27/03/29/334270329.db2.gz HPPHABUPQDAUJC-GBESFXJTSA-N 1 3 300.490 3.766 20 0 DHADHO Cc1cccc(C)c1OCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415088899 334279760 /nfs/dbraw/zinc/27/97/60/334279760.db2.gz YESCDCLDNNSMQO-GUDVDZBRSA-N 1 3 316.489 3.583 20 0 DHADHO c1ccc(C[C@@H](C[NH2+][C@H]2CCCNCC2)c2ccccc2)cc1 ZINC000415113688 334282220 /nfs/dbraw/zinc/28/22/20/334282220.db2.gz FDZNYHSOASPABU-SFTDATJTSA-N 1 3 308.469 3.745 20 0 DHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415115484 334283529 /nfs/dbraw/zinc/28/35/29/334283529.db2.gz YLUGCBLTKCFPRC-FFGOWVMKSA-N 1 3 316.489 3.665 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+]CCCCCOc2ccccc2)C1 ZINC000187865555 334302349 /nfs/dbraw/zinc/30/23/49/334302349.db2.gz XBEYNCUMMSKOTE-LJQANCHMSA-N 1 3 318.505 3.946 20 0 DHADHO C[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)[C@H]1CC1(C)C ZINC000341252775 334425437 /nfs/dbraw/zinc/42/54/37/334425437.db2.gz FSLJETNSPAOWEB-DNVCBOLYSA-N 1 3 316.489 3.684 20 0 DHADHO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342812181 334579451 /nfs/dbraw/zinc/57/94/51/334579451.db2.gz YZZCWXQCIBHCFE-JXFKEZNVSA-N 1 3 316.489 3.828 20 0 DHADHO C[C@@H](C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1)CN(C)C ZINC000425944012 334787860 /nfs/dbraw/zinc/78/78/60/334787860.db2.gz UYLGNVCEAPSZHA-KBPBESRZSA-N 1 3 316.411 3.814 20 0 DHADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000425955493 334820563 /nfs/dbraw/zinc/82/05/63/334820563.db2.gz RWSFZPGKJRFOOP-CZUORRHYSA-N 1 3 300.437 3.664 20 0 DHADHO C[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCCO1 ZINC000346486862 335412158 /nfs/dbraw/zinc/41/21/58/335412158.db2.gz OPUYTVZPEUDLQC-XLIONFOSSA-N 1 3 316.489 3.720 20 0 DHADHO [NH3+]CC1CCN(Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000346689142 335429618 /nfs/dbraw/zinc/42/96/18/335429618.db2.gz PJFRTXYHBPYAJH-UHFFFAOYSA-N 1 3 320.383 3.612 20 0 DHADHO C[C@@H]([NH2+]CC1CCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000532188637 335912721 /nfs/dbraw/zinc/91/27/21/335912721.db2.gz VCULVEDSZPMOOB-MRXNPFEDSA-N 1 3 304.478 3.858 20 0 DHADHO C[NH+]1CCC([C@@H]2CCN(C/C=C/c3ccc(F)c(F)c3)C2)CC1 ZINC000583661432 336035780 /nfs/dbraw/zinc/03/57/80/336035780.db2.gz NSNBMXISENANKB-RCAFFNEUSA-N 1 3 320.427 3.642 20 0 DHADHO CC[NH+]1CCC(CCN[C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000532523046 336252959 /nfs/dbraw/zinc/25/29/59/336252959.db2.gz UEZPIGLJZVKREK-INIZCTEOSA-N 1 3 304.478 3.776 20 0 DHADHO [NH3+]CCCOC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000325195885 336281012 /nfs/dbraw/zinc/28/10/12/336281012.db2.gz CESSUNCZCZKVJQ-UHFFFAOYSA-N 1 3 324.468 3.683 20 0 DHADHO CCc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)c2ccccc2n1 ZINC000301996530 336342152 /nfs/dbraw/zinc/34/21/52/336342152.db2.gz TWRILYMWGXWLFF-KRWDZBQOSA-N 1 3 309.457 3.862 20 0 DHADHO Cc1nc2ccccc2c(N2CCC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000302089452 336347917 /nfs/dbraw/zinc/34/79/17/336347917.db2.gz ORXGTXJORVTGIC-QGZVFWFLSA-N 1 3 309.457 3.916 20 0 DHADHO Cc1ccc2nccc(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000302220314 336354565 /nfs/dbraw/zinc/35/45/65/336354565.db2.gz MADYMJGWAALWIA-UZLBHIALSA-N 1 3 321.468 3.996 20 0 DHADHO Cc1ccc2nccc(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000302220314 336354566 /nfs/dbraw/zinc/35/45/66/336354566.db2.gz MADYMJGWAALWIA-UZLBHIALSA-N 1 3 321.468 3.996 20 0 DHADHO CC(C)Oc1cccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000514633825 336386984 /nfs/dbraw/zinc/38/69/84/336386984.db2.gz OKYMETAVQYGXMH-IBGZPJMESA-N 1 3 316.489 3.638 20 0 DHADHO CC(C)Oc1cccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000514633825 336386985 /nfs/dbraw/zinc/38/69/85/336386985.db2.gz OKYMETAVQYGXMH-IBGZPJMESA-N 1 3 316.489 3.638 20 0 DHADHO CSc1ccccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000358032456 336607523 /nfs/dbraw/zinc/60/75/23/336607523.db2.gz JMSJCCAYCZWFHE-UHFFFAOYSA-N 1 3 304.503 3.716 20 0 DHADHO C[C@H](NCC1CC[NH+](CCc2ccccc2)CC1)c1ccccn1 ZINC000371351285 336901362 /nfs/dbraw/zinc/90/13/62/336901362.db2.gz FLDTYLSXQXSYTB-SFHVURJKSA-N 1 3 323.484 3.687 20 0 DHADHO Cc1ccc2cc(C[NH2+]C3CC(N4CCCCC4)C3)ccc2n1 ZINC000376026898 337025599 /nfs/dbraw/zinc/02/55/99/337025599.db2.gz DAMXKFMMGHNJIT-UHFFFAOYSA-N 1 3 309.457 3.650 20 0 DHADHO COC1(C[C@@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)CCC1 ZINC000376098538 337026953 /nfs/dbraw/zinc/02/69/53/337026953.db2.gz QDJKAEXPGLEZEA-MRXNPFEDSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@@H]2CCCSC2)CC1 ZINC000376821247 337042039 /nfs/dbraw/zinc/04/20/39/337042039.db2.gz XEFUFTJEZZEZKT-SOLBZPMBSA-N 1 3 310.551 3.762 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCCSC2)CC1 ZINC000376821247 337042040 /nfs/dbraw/zinc/04/20/40/337042040.db2.gz XEFUFTJEZZEZKT-SOLBZPMBSA-N 1 3 310.551 3.762 20 0 DHADHO Cc1cc(CNC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc(C)c1O ZINC000377617240 337056445 /nfs/dbraw/zinc/05/64/45/337056445.db2.gz AFXOJKBPKZEJPP-VQTJNVASSA-N 1 3 324.468 3.792 20 0 DHADHO Cc1cc(CNC[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc(C)c1O ZINC000377617240 337056446 /nfs/dbraw/zinc/05/64/46/337056446.db2.gz AFXOJKBPKZEJPP-VQTJNVASSA-N 1 3 324.468 3.792 20 0 DHADHO Cc1ccsc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178036843 337159961 /nfs/dbraw/zinc/15/99/61/337159961.db2.gz NWZPCMBSFAYVDN-XHSDSOJGSA-N 1 3 310.507 3.597 20 0 DHADHO CC1(C)Cc2occc2[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000178254827 337161740 /nfs/dbraw/zinc/16/17/40/337161740.db2.gz FUSISDMNUGQINU-QGZVFWFLSA-N 1 3 302.462 3.757 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCN1CCCC1 ZINC000178413241 337164479 /nfs/dbraw/zinc/16/44/79/337164479.db2.gz QZQDSXPVGDKQON-CABCVRRESA-N 1 3 317.502 3.864 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NCCC[NH+]1CCCC1 ZINC000178413241 337164480 /nfs/dbraw/zinc/16/44/80/337164480.db2.gz QZQDSXPVGDKQON-CABCVRRESA-N 1 3 317.502 3.864 20 0 DHADHO CCn1cc([C@@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000181665195 337183661 /nfs/dbraw/zinc/18/36/61/337183661.db2.gz SATDDAOSCIIOOU-IPJUCJBFSA-N 1 3 318.509 3.597 20 0 DHADHO C[C@H](CCC1CC1)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000469807425 337193811 /nfs/dbraw/zinc/19/38/11/337193811.db2.gz HWTPTDJLMHBUOW-HZPDHXFCSA-N 1 3 304.478 3.856 20 0 DHADHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000321110659 337198986 /nfs/dbraw/zinc/19/89/86/337198986.db2.gz YTENCPNAOGSOGF-UHFFFAOYSA-N 1 3 309.457 3.618 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000583136650 337243489 /nfs/dbraw/zinc/24/34/89/337243489.db2.gz IXLSLTCLQPCJKV-GUYCJALGSA-N 1 3 312.860 3.684 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000583136650 337243490 /nfs/dbraw/zinc/24/34/90/337243490.db2.gz IXLSLTCLQPCJKV-GUYCJALGSA-N 1 3 312.860 3.684 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000583136651 337243520 /nfs/dbraw/zinc/24/35/20/337243520.db2.gz IXLSLTCLQPCJKV-SUMWQHHRSA-N 1 3 312.860 3.684 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000583136651 337243521 /nfs/dbraw/zinc/24/35/21/337243521.db2.gz IXLSLTCLQPCJKV-SUMWQHHRSA-N 1 3 312.860 3.684 20 0 DHADHO CCC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccsc1 ZINC000187726698 337269557 /nfs/dbraw/zinc/26/95/57/337269557.db2.gz BQWDWQFQVJMPTH-CRAIPNDOSA-N 1 3 322.518 3.680 20 0 DHADHO C[NH+](C)Cc1cccc(NC2CCN(Cc3ccccc3)CC2)c1 ZINC000121754732 337396600 /nfs/dbraw/zinc/39/66/00/337396600.db2.gz ABRLXUZERPIFGN-UHFFFAOYSA-N 1 3 323.484 3.825 20 0 DHADHO c1csc(CN2CCC(C[NH2+]C(C3CC3)C3CC3)CC2)c1 ZINC000125459259 337411947 /nfs/dbraw/zinc/41/19/47/337411947.db2.gz MJFFQDCKRQSSOM-UHFFFAOYSA-N 1 3 304.503 3.738 20 0 DHADHO FC(F)(F)c1cccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000422708445 337683685 /nfs/dbraw/zinc/68/36/85/337683685.db2.gz XPSLFKIEXQXEAX-XYPWUTKMSA-N 1 3 324.390 3.610 20 0 DHADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422724515 337684118 /nfs/dbraw/zinc/68/41/18/337684118.db2.gz VWSUUVNUDKXBPG-GDBMZVCRSA-N 1 3 314.395 3.745 20 0 DHADHO Cc1ccc(SCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422771815 337685780 /nfs/dbraw/zinc/68/57/80/337685780.db2.gz RNNFIVCEYAPUKG-KSZLIROESA-N 1 3 304.503 3.597 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000422811673 337687626 /nfs/dbraw/zinc/68/76/26/337687626.db2.gz VBIUAZIFLOGVAS-ZRNYENFQSA-N 1 3 316.489 3.570 20 0 DHADHO CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)C1CCCC1 ZINC000422817350 337688028 /nfs/dbraw/zinc/68/80/28/337688028.db2.gz CXTMBNOWINAARP-IYWMVGAKSA-N 1 3 322.537 3.872 20 0 DHADHO C[C@@H](CCC[NH3+])N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422883488 337689911 /nfs/dbraw/zinc/68/99/11/337689911.db2.gz CIBADGFUUUIWNO-GUYCJALGSA-N 1 3 303.837 3.541 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422890591 337690181 /nfs/dbraw/zinc/69/01/81/337690181.db2.gz SMKHZKGGLLRCJF-AZUAARDMSA-N 1 3 312.457 3.716 20 0 DHADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)c1cccc(C(F)(F)F)c1 ZINC000422910296 337690884 /nfs/dbraw/zinc/69/08/84/337690884.db2.gz QGDWCQWYZJRYJL-DOMZBBRYSA-N 1 3 314.395 3.700 20 0 DHADHO COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000422939507 337692505 /nfs/dbraw/zinc/69/25/05/337692505.db2.gz FXBFPSBEKQWSEX-PMPSAXMXSA-N 1 3 322.518 3.531 20 0 DHADHO Cc1ccccc1O[C@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422994510 337693952 /nfs/dbraw/zinc/69/39/52/337693952.db2.gz HXWVNNBKAFAIIE-BISRIHTFSA-N 1 3 314.473 3.558 20 0 DHADHO Cc1oc2ccccc2c1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423056559 337697561 /nfs/dbraw/zinc/69/75/61/337697561.db2.gz YKHTYTQGBYHUQI-LBPRGKRZSA-N 1 3 309.413 3.754 20 0 DHADHO Cc1ccccc1[C@H]([C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21)N(C)C ZINC000423060294 337697740 /nfs/dbraw/zinc/69/77/40/337697740.db2.gz OBULKWRDZYGJGQ-ZEWNOJEFSA-N 1 3 323.484 3.721 20 0 DHADHO CCCNc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423080682 337698529 /nfs/dbraw/zinc/69/85/29/337698529.db2.gz ZVOMUMDISXSOGH-HSALFYBXSA-N 1 3 315.505 3.909 20 0 DHADHO c1cnc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2c1 ZINC000423084792 337698838 /nfs/dbraw/zinc/69/88/38/337698838.db2.gz IXZMWMJLAJIIRG-MISYRCLQSA-N 1 3 309.457 3.635 20 0 DHADHO Fc1ccccc1[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423092135 337698954 /nfs/dbraw/zinc/69/89/54/337698954.db2.gz ARRDMUDZFPJTAI-YOJMASELSA-N 1 3 316.464 3.972 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095114 337699243 /nfs/dbraw/zinc/69/92/43/337699243.db2.gz DHQPTUTVDUIUQJ-VBRUCIBASA-N 1 3 310.844 3.832 20 0 DHADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423098674 337699329 /nfs/dbraw/zinc/69/93/29/337699329.db2.gz DFBTYMJKEKHRGM-DOMZBBRYSA-N 1 3 321.877 3.681 20 0 DHADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423122261 337700494 /nfs/dbraw/zinc/70/04/94/337700494.db2.gz BZFXNFAZEOEAGK-WSIUPNEHSA-N 1 3 302.437 3.582 20 0 DHADHO Cc1cccnc1C(C)(C)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423142443 337701320 /nfs/dbraw/zinc/70/13/20/337701320.db2.gz VFRJOIPIZPMWTR-DLBZAZTESA-N 1 3 303.494 3.568 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423167911 337702288 /nfs/dbraw/zinc/70/22/88/337702288.db2.gz GASDMLGKOMOEOP-VHKYSDTDSA-N 1 3 323.484 3.939 20 0 DHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC[C@H](C)[NH3+] ZINC000423223373 337705565 /nfs/dbraw/zinc/70/55/65/337705565.db2.gz GFLHKUJYJOTVTM-WDEREUQCSA-N 1 3 307.438 3.646 20 0 DHADHO C[C@@H](NC1CCC([NH3+])CC1)c1csc(-c2ccccc2)n1 ZINC000423238501 337706513 /nfs/dbraw/zinc/70/65/13/337706513.db2.gz VGEUYYFKTJYGQM-LRVUVFPRSA-N 1 3 301.459 3.731 20 0 DHADHO Cc1c([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cnn1C(C)C ZINC000423296168 337710901 /nfs/dbraw/zinc/71/09/01/337710901.db2.gz YMPJCFBKNWNWAU-KGLIPLIRSA-N 1 3 300.450 3.643 20 0 DHADHO C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423400448 337715600 /nfs/dbraw/zinc/71/56/00/337715600.db2.gz VJLDIURLFMLTKQ-AWEZNQCLSA-N 1 3 306.409 3.757 20 0 DHADHO C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000423400356 337715655 /nfs/dbraw/zinc/71/56/55/337715655.db2.gz QGNYGMMPQPVOLX-OIVLGSRBSA-N 1 3 316.489 3.550 20 0 DHADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000423401187 337715715 /nfs/dbraw/zinc/71/57/15/337715715.db2.gz VWADOHLNCFZQRH-UHTWSYAYSA-N 1 3 302.340 3.506 20 0 DHADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423405838 337715932 /nfs/dbraw/zinc/71/59/32/337715932.db2.gz UBLZCEGIYITBAK-XJKCOSOUSA-N 1 3 314.395 3.614 20 0 DHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CCN1 ZINC000423382852 337717595 /nfs/dbraw/zinc/71/75/95/337717595.db2.gz OSZCVBNHOIJISC-MOIQIXESSA-N 1 3 306.881 3.781 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CCC1 ZINC000423466669 337720894 /nfs/dbraw/zinc/72/08/94/337720894.db2.gz ITKGOVFZYGWLPQ-UHOSZYNNSA-N 1 3 304.453 3.687 20 0 DHADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000423487817 337722292 /nfs/dbraw/zinc/72/22/92/337722292.db2.gz CYLHMQNYMLEEFR-YDHLFZDLSA-N 1 3 301.459 3.588 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)C1 ZINC000536848259 337744273 /nfs/dbraw/zinc/74/42/73/337744273.db2.gz XBMMZJFEXCSCNS-NZSAHSFTSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)C1 ZINC000536848262 337744389 /nfs/dbraw/zinc/74/43/89/337744389.db2.gz XBMMZJFEXCSCNS-QRQLOZEOSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)CN(C)C ZINC000425939167 338019178 /nfs/dbraw/zinc/01/91/78/338019178.db2.gz SEOCWIYMNZXRHH-FVCCEPFGSA-N 1 3 300.899 3.681 20 0 DHADHO C[NH+]1CCC(CNCc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430018894 338093541 /nfs/dbraw/zinc/09/35/41/338093541.db2.gz LUQLMAXDCXXKTN-UHFFFAOYSA-N 1 3 322.880 3.560 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000431597118 338134457 /nfs/dbraw/zinc/13/44/57/338134457.db2.gz RWVISXMOSJVXDZ-SJORKVTESA-N 1 3 306.519 3.831 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000431597118 338134458 /nfs/dbraw/zinc/13/44/58/338134458.db2.gz RWVISXMOSJVXDZ-SJORKVTESA-N 1 3 306.519 3.831 20 0 DHADHO CC[N@H+](C)C[C@@H]1CCN([C@H](C)CCSc2ccccc2)C1 ZINC000431597118 338134459 /nfs/dbraw/zinc/13/44/59/338134459.db2.gz RWVISXMOSJVXDZ-SJORKVTESA-N 1 3 306.519 3.831 20 0 DHADHO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)CCSc2ccccc2)C1 ZINC000431597118 338134460 /nfs/dbraw/zinc/13/44/60/338134460.db2.gz RWVISXMOSJVXDZ-SJORKVTESA-N 1 3 306.519 3.831 20 0 DHADHO c1cc(CN(Cc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000432666754 338161910 /nfs/dbraw/zinc/16/19/10/338161910.db2.gz KJQMWPAVPFFFIS-GOSISDBHSA-N 1 3 312.482 3.892 20 0 DHADHO COc1cc(CN2CCC[C@@H]2C)cc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000432832527 338169880 /nfs/dbraw/zinc/16/98/80/338169880.db2.gz OWJYCCPRVIIXEG-HOTGVXAUSA-N 1 3 302.462 3.664 20 0 DHADHO COc1cc(CN2CCC[C@@H]2C)cc(C[N@H+]2CCC[C@@H]2C)c1 ZINC000432832527 338169881 /nfs/dbraw/zinc/16/98/81/338169881.db2.gz OWJYCCPRVIIXEG-HOTGVXAUSA-N 1 3 302.462 3.664 20 0 DHADHO CCc1ccc([C@@H]2CCN(CC[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000433062664 338179495 /nfs/dbraw/zinc/17/94/95/338179495.db2.gz VAPXICVZGVPWIJ-UXHICEINSA-N 1 3 300.490 3.913 20 0 DHADHO CCc1ccc([C@@H]2CCN(CC[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC000433062664 338179496 /nfs/dbraw/zinc/17/94/96/338179496.db2.gz VAPXICVZGVPWIJ-UXHICEINSA-N 1 3 300.490 3.913 20 0 DHADHO CSC1(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000433097677 338181580 /nfs/dbraw/zinc/18/15/80/338181580.db2.gz ORBYZEXKNLLTCC-WBVHZDCISA-N 1 3 310.551 3.905 20 0 DHADHO CSC1(C[NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000433097677 338181581 /nfs/dbraw/zinc/18/15/81/338181581.db2.gz ORBYZEXKNLLTCC-WBVHZDCISA-N 1 3 310.551 3.905 20 0 DHADHO CCCCOCCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435693306 338245498 /nfs/dbraw/zinc/24/54/98/338245498.db2.gz IRVRUPRYWAOYOK-KRWDZBQOSA-N 1 3 322.518 3.509 20 0 DHADHO CC(C)CCO[C@@H]1CCCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000436293821 338266817 /nfs/dbraw/zinc/26/68/17/338266817.db2.gz DUQLZMQZRWOWBB-INDMIFKZSA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)CCO[C@@H]1CCCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000436293821 338266818 /nfs/dbraw/zinc/26/68/18/338266818.db2.gz DUQLZMQZRWOWBB-INDMIFKZSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](CC[NH2+]CCCCOc1ccccc1)N1CCCCC1 ZINC000437993819 338327717 /nfs/dbraw/zinc/32/77/17/338327717.db2.gz OIRWMRXCFQBPHH-GOSISDBHSA-N 1 3 304.478 3.700 20 0 DHADHO C[C@@H](C[N@@H+]1CC[C@@H](CN2CCCCC2)C1)c1ccc(F)cc1 ZINC000438130946 338333778 /nfs/dbraw/zinc/33/37/78/338333778.db2.gz VLHMADZCKSJSAP-IRXDYDNUSA-N 1 3 304.453 3.737 20 0 DHADHO C[C@@H](C[N@H+]1CC[C@@H](CN2CCCCC2)C1)c1ccc(F)cc1 ZINC000438130946 338333779 /nfs/dbraw/zinc/33/37/79/338333779.db2.gz VLHMADZCKSJSAP-IRXDYDNUSA-N 1 3 304.453 3.737 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449170977 338599023 /nfs/dbraw/zinc/59/90/23/338599023.db2.gz JVTVRFCXOOEVNQ-DHADLLTHSA-N 1 3 308.510 3.719 20 0 DHADHO C/C=C/C[C@H](CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449250803 338606867 /nfs/dbraw/zinc/60/68/67/338606867.db2.gz PZDSEIKDBDKGCU-IWAYRVGRSA-N 1 3 310.526 3.582 20 0 DHADHO CCn1ccnc1[C@@H](C)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000453184446 338804076 /nfs/dbraw/zinc/80/40/76/338804076.db2.gz ZXKRKPAYDZHAIA-WWDZGPRUSA-N 1 3 318.509 3.597 20 0 DHADHO COc1ccc([C@@H](NCC2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000194988143 338815681 /nfs/dbraw/zinc/81/56/81/338815681.db2.gz XXUSOIXRPULNNZ-NRFANRHFSA-N 1 3 324.468 3.716 20 0 DHADHO FC1(F)CCC(CN2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000459333774 339022611 /nfs/dbraw/zinc/02/26/11/339022611.db2.gz CCJSYNRPIDZJOD-MRXNPFEDSA-N 1 3 300.437 3.620 20 0 DHADHO FC1(F)CCC(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000459333774 339022612 /nfs/dbraw/zinc/02/26/12/339022612.db2.gz CCJSYNRPIDZJOD-MRXNPFEDSA-N 1 3 300.437 3.620 20 0 DHADHO FC1(F)CCC(C[N@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000459333774 339022613 /nfs/dbraw/zinc/02/26/13/339022613.db2.gz CCJSYNRPIDZJOD-MRXNPFEDSA-N 1 3 300.437 3.620 20 0 DHADHO Cc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)c(CN(C)C)c1 ZINC000459357007 339024163 /nfs/dbraw/zinc/02/41/63/339024163.db2.gz JIFWUTLTYVRGJQ-UHFFFAOYSA-N 1 3 324.472 3.533 20 0 DHADHO c1ccc2cc(C[NH2+]C3CCN(c4ccncc4)CC3)ccc2c1 ZINC000459388138 339026442 /nfs/dbraw/zinc/02/64/42/339026442.db2.gz NVZJTBNMUJQODW-UHFFFAOYSA-N 1 3 317.436 3.993 20 0 DHADHO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459466976 339030959 /nfs/dbraw/zinc/03/09/59/339030959.db2.gz QCSNKFDMIDJOHV-HRAATJIYSA-N 1 3 321.468 3.964 20 0 DHADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000459561112 339035941 /nfs/dbraw/zinc/03/59/41/339035941.db2.gz MHEOVFFWQRZMLM-IXDOHACOSA-N 1 3 301.478 3.855 20 0 DHADHO CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459577759 339037024 /nfs/dbraw/zinc/03/70/24/339037024.db2.gz WJTFBONWBHXBQQ-IAGOWNOFSA-N 1 3 301.478 3.856 20 0 DHADHO COC1CCC([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000459667547 339041715 /nfs/dbraw/zinc/04/17/15/339041715.db2.gz AVRGPMLQNBTXLX-JCJXWUGKSA-N 1 3 308.510 3.577 20 0 DHADHO COC1CCC([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000459667548 339041846 /nfs/dbraw/zinc/04/18/46/339041846.db2.gz AVRGPMLQNBTXLX-MEWCUZTCSA-N 1 3 308.510 3.577 20 0 DHADHO Clc1cccc(CC2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000459725341 339044543 /nfs/dbraw/zinc/04/45/43/339044543.db2.gz ZTRFSZXISHDILK-QZTJIDSGSA-N 1 3 318.892 3.879 20 0 DHADHO Clc1cccc(CC2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000459725341 339044544 /nfs/dbraw/zinc/04/45/44/339044544.db2.gz ZTRFSZXISHDILK-QZTJIDSGSA-N 1 3 318.892 3.879 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2cc(C(F)(F)F)ccc2F)C1 ZINC000459740454 339045474 /nfs/dbraw/zinc/04/54/74/339045474.db2.gz UIRBBXDANTVHIK-GFCCVEGCSA-N 1 3 318.358 3.666 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2cc(C(F)(F)F)ccc2F)C1 ZINC000459740454 339045475 /nfs/dbraw/zinc/04/54/75/339045475.db2.gz UIRBBXDANTVHIK-GFCCVEGCSA-N 1 3 318.358 3.666 20 0 DHADHO CC(C)(C)O[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000459741581 339045529 /nfs/dbraw/zinc/04/55/29/339045529.db2.gz APOAKXKLFUFKDK-CVEARBPZSA-N 1 3 310.526 3.821 20 0 DHADHO Cc1ccc(-c2ncc(CNCC[C@H]3CCC[N@@H+](C)C3)s2)o1 ZINC000459742409 339045604 /nfs/dbraw/zinc/04/56/04/339045604.db2.gz WDQAIVGQHIDKGQ-CQSZACIVSA-N 1 3 319.474 3.533 20 0 DHADHO Cc1ccc(-c2ncc(CNCC[C@H]3CCC[N@H+](C)C3)s2)o1 ZINC000459742409 339045605 /nfs/dbraw/zinc/04/56/05/339045605.db2.gz WDQAIVGQHIDKGQ-CQSZACIVSA-N 1 3 319.474 3.533 20 0 DHADHO CO[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C12CCC2 ZINC000459782654 339048354 /nfs/dbraw/zinc/04/83/54/339048354.db2.gz MTPNEEDCSXDCDC-WZGPROSRSA-N 1 3 320.521 3.577 20 0 DHADHO CO[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)C12CCC2 ZINC000459782654 339048355 /nfs/dbraw/zinc/04/83/55/339048355.db2.gz MTPNEEDCSXDCDC-WZGPROSRSA-N 1 3 320.521 3.577 20 0 DHADHO COc1ccc(F)cc1CNCC1CC[NH+](CCC(C)C)CC1 ZINC000462786350 339088607 /nfs/dbraw/zinc/08/86/07/339088607.db2.gz XQGHNFDHHBLQFL-UHFFFAOYSA-N 1 3 322.468 3.682 20 0 DHADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000462787496 339088678 /nfs/dbraw/zinc/08/86/78/339088678.db2.gz KGSDYGJVRKARLF-UJMXGEILSA-N 1 3 322.537 3.539 20 0 DHADHO COc1ccc(F)cc1CNCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000462798361 339089585 /nfs/dbraw/zinc/08/95/85/339089585.db2.gz KNOQBVCPIKUCHN-HZPDHXFCSA-N 1 3 322.468 3.682 20 0 DHADHO Cc1cc(Cl)ccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000463738505 339125264 /nfs/dbraw/zinc/12/52/64/339125264.db2.gz WVZQACICMMNAKJ-IYBDPMFKSA-N 1 3 324.896 3.627 20 0 DHADHO COc1cc2c(cc1F)CC[C@H]2[NH2+]CCCN1CCC(C)CC1 ZINC000467306853 339230897 /nfs/dbraw/zinc/23/08/97/339230897.db2.gz CDCWHSQRXTUWCA-GOSISDBHSA-N 1 3 320.452 3.533 20 0 DHADHO COc1ccc(C[N@H+](C)CCCN2CCCC2)c2ccccc12 ZINC000467519148 339240922 /nfs/dbraw/zinc/24/09/22/339240922.db2.gz QBKBWNOGBZUSPG-UHFFFAOYSA-N 1 3 312.457 3.766 20 0 DHADHO COc1ccc(C[N@@H+](C)CCCN2CCCC2)c2ccccc12 ZINC000467519148 339240923 /nfs/dbraw/zinc/24/09/23/339240923.db2.gz QBKBWNOGBZUSPG-UHFFFAOYSA-N 1 3 312.457 3.766 20 0 DHADHO CC(C)c1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000469982145 339306789 /nfs/dbraw/zinc/30/67/89/339306789.db2.gz MUGYVWPJJVQQHC-UXHICEINSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CC[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000469982145 339306790 /nfs/dbraw/zinc/30/67/90/339306790.db2.gz MUGYVWPJJVQQHC-UXHICEINSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CCN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000469982145 339306791 /nfs/dbraw/zinc/30/67/91/339306791.db2.gz MUGYVWPJJVQQHC-UXHICEINSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CCN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000469982145 339306792 /nfs/dbraw/zinc/30/67/92/339306792.db2.gz MUGYVWPJJVQQHC-UXHICEINSA-N 1 3 300.490 3.769 20 0 DHADHO CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)c2cccc(Cl)c2)C1 ZINC000472267211 339368212 /nfs/dbraw/zinc/36/82/12/339368212.db2.gz CLVPEDWZYGIIEO-YJBOKZPZSA-N 1 3 324.896 3.834 20 0 DHADHO CC[C@H](c1ccc(F)cc1)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000472273818 339368405 /nfs/dbraw/zinc/36/84/05/339368405.db2.gz IVFPMDIPDWWGEF-RTBURBONSA-N 1 3 322.468 3.710 20 0 DHADHO Cc1cccnc1CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472339303 339370067 /nfs/dbraw/zinc/37/00/67/339370067.db2.gz LNXCQGFDPJMCKF-PZJWPPBQSA-N 1 3 323.484 3.562 20 0 DHADHO CC(C)N(CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C(C)C ZINC000474041430 339398540 /nfs/dbraw/zinc/39/85/40/339398540.db2.gz ZBNVVLAGRFVEIM-CEXWTWQISA-N 1 3 310.526 3.680 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000479864093 339551294 /nfs/dbraw/zinc/55/12/94/339551294.db2.gz HKNYSZCNDQXWKK-TXPKVOOTSA-N 1 3 304.478 3.856 20 0 DHADHO COc1ccc([C@@H](C)NCCCC[NH+]2CCC(C)CC2)cc1F ZINC000480617462 339579907 /nfs/dbraw/zinc/57/99/07/339579907.db2.gz RBVWWCWPYDTLEY-MRXNPFEDSA-N 1 3 322.468 3.997 20 0 DHADHO CC[C@@H](COC)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481714340 339610668 /nfs/dbraw/zinc/61/06/68/339610668.db2.gz FZWKVNRBPMJEQR-IBGZPJMESA-N 1 3 304.478 3.577 20 0 DHADHO C[N@H+](CCCc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000501063732 340073466 /nfs/dbraw/zinc/07/34/66/340073466.db2.gz QSGOYNCUQIQRJL-UHFFFAOYSA-N 1 3 323.484 3.863 20 0 DHADHO C[N@@H+](CCCc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000501063732 340073467 /nfs/dbraw/zinc/07/34/67/340073467.db2.gz QSGOYNCUQIQRJL-UHFFFAOYSA-N 1 3 323.484 3.863 20 0 DHADHO CCCC[N@H+](CCCN1CCN(C(C)C)CC1)C1CCCCC1 ZINC000501091904 340074213 /nfs/dbraw/zinc/07/42/13/340074213.db2.gz IJAHALSJOCAGKR-UHFFFAOYSA-N 1 3 323.569 3.837 20 0 DHADHO CCCC[N@@H+](CCCN1CCN(C(C)C)CC1)C1CCCCC1 ZINC000501091904 340074214 /nfs/dbraw/zinc/07/42/14/340074214.db2.gz IJAHALSJOCAGKR-UHFFFAOYSA-N 1 3 323.569 3.837 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000501416399 340080412 /nfs/dbraw/zinc/08/04/12/340080412.db2.gz DOWRCFNHCSSTCW-QZTJIDSGSA-N 1 3 318.505 3.822 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000501416399 340080413 /nfs/dbraw/zinc/08/04/13/340080413.db2.gz DOWRCFNHCSSTCW-QZTJIDSGSA-N 1 3 318.505 3.822 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000501416401 340080565 /nfs/dbraw/zinc/08/05/65/340080565.db2.gz DOWRCFNHCSSTCW-ZWKOTPCHSA-N 1 3 318.505 3.822 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000501416401 340080566 /nfs/dbraw/zinc/08/05/66/340080566.db2.gz DOWRCFNHCSSTCW-ZWKOTPCHSA-N 1 3 318.505 3.822 20 0 DHADHO CCC[N@H+](CC[C@@H]1CCCN1C)[C@@H](C)c1ccccc1OC ZINC000502716543 340112093 /nfs/dbraw/zinc/11/20/93/340112093.db2.gz PDEZGNLOAZNTFU-IRXDYDNUSA-N 1 3 304.478 3.953 20 0 DHADHO CCC[N@@H+](CC[C@@H]1CCCN1C)[C@@H](C)c1ccccc1OC ZINC000502716543 340112094 /nfs/dbraw/zinc/11/20/94/340112094.db2.gz PDEZGNLOAZNTFU-IRXDYDNUSA-N 1 3 304.478 3.953 20 0 DHADHO CC[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2CN(CC)CC)CCO1 ZINC000503556104 340130310 /nfs/dbraw/zinc/13/03/10/340130310.db2.gz BGITWCLDPQEEIK-MKXGPGLRSA-N 1 3 310.526 3.682 20 0 DHADHO COc1cc([C@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)ccc1F ZINC000504900023 340155273 /nfs/dbraw/zinc/15/52/73/340155273.db2.gz PZLOFGJNGBDITA-HOTGVXAUSA-N 1 3 322.468 3.997 20 0 DHADHO COc1cc([C@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)ccc1F ZINC000504900023 340155274 /nfs/dbraw/zinc/15/52/74/340155274.db2.gz PZLOFGJNGBDITA-HOTGVXAUSA-N 1 3 322.468 3.997 20 0 DHADHO C[NH+](C)CC1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000506858332 340202891 /nfs/dbraw/zinc/20/28/91/340202891.db2.gz AOZAWJNTPAKAQZ-UHFFFAOYSA-N 1 3 316.489 3.782 20 0 DHADHO CC[NH+](CC)CC1CCN(C/C=C\c2ccccc2OC)CC1 ZINC000506869319 340203071 /nfs/dbraw/zinc/20/30/71/340203071.db2.gz YSIKBBAMDKATFL-NTMALXAHSA-N 1 3 316.489 3.762 20 0 DHADHO CC[NH+](CC)CC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000506877108 340203085 /nfs/dbraw/zinc/20/30/85/340203085.db2.gz UGXJXHKBNSBFFD-AATRIKPKSA-N 1 3 304.453 3.893 20 0 DHADHO CN1CCC[C@H](C[N@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000508515682 340245361 /nfs/dbraw/zinc/24/53/61/340245361.db2.gz DVXDLNLTDIAOBY-ZDUSSCGKSA-N 1 3 318.358 3.618 20 0 DHADHO CN1CCC[C@H](C[N@@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000508515682 340245362 /nfs/dbraw/zinc/24/53/62/340245362.db2.gz DVXDLNLTDIAOBY-ZDUSSCGKSA-N 1 3 318.358 3.618 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCCc4ccc(F)cc43)CC[C@H]21 ZINC000510393957 340297934 /nfs/dbraw/zinc/29/79/34/340297934.db2.gz HMQFTGNEXNRDMU-ATZDWAIDSA-N 1 3 302.437 3.619 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN([C@@H]3CCCc4ccc(F)cc43)CC[C@H]21 ZINC000510393957 340297935 /nfs/dbraw/zinc/29/79/35/340297935.db2.gz HMQFTGNEXNRDMU-ATZDWAIDSA-N 1 3 302.437 3.619 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccc(F)cc43)CC[C@H]21 ZINC000510393957 340297936 /nfs/dbraw/zinc/29/79/36/340297936.db2.gz HMQFTGNEXNRDMU-ATZDWAIDSA-N 1 3 302.437 3.619 20 0 DHADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)CC[C@H]21 ZINC000510393957 340297937 /nfs/dbraw/zinc/29/79/37/340297937.db2.gz HMQFTGNEXNRDMU-ATZDWAIDSA-N 1 3 302.437 3.619 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H](CO)CC3CCCC3)CC2)C1 ZINC000511036041 340318869 /nfs/dbraw/zinc/31/88/69/340318869.db2.gz ZOYLUUZXNXQFIV-NSISKUIASA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H](CO)CC3CCCC3)CC2)C1 ZINC000511036041 340318870 /nfs/dbraw/zinc/31/88/70/340318870.db2.gz ZOYLUUZXNXQFIV-NSISKUIASA-N 1 3 322.537 3.560 20 0 DHADHO c1ccc(CN2C[C@H]3[C@@H](C2)CCC[C@H]3[NH2+][C@H]2CC=CCC2)cc1 ZINC000512672686 340372344 /nfs/dbraw/zinc/37/23/44/340372344.db2.gz LUGCTFGNGQITLU-IVAOSVALSA-N 1 3 310.485 3.985 20 0 DHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(O)CCCCCC2)CC1 ZINC000513207652 340397186 /nfs/dbraw/zinc/39/71/86/340397186.db2.gz CWLXIYUYQGLDEY-HKUYNNGSSA-N 1 3 322.537 3.704 20 0 DHADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(O)CCCCCC2)CC1 ZINC000513207652 340397187 /nfs/dbraw/zinc/39/71/87/340397187.db2.gz CWLXIYUYQGLDEY-HKUYNNGSSA-N 1 3 322.537 3.704 20 0 DHADHO C[C@@H](Cc1cccc(O)c1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000513221008 340398037 /nfs/dbraw/zinc/39/80/37/340398037.db2.gz ASGSMFAAONUSFG-INIZCTEOSA-N 1 3 316.489 3.710 20 0 DHADHO C[C@@H](Cc1cccc(O)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000513221008 340398038 /nfs/dbraw/zinc/39/80/38/340398038.db2.gz ASGSMFAAONUSFG-INIZCTEOSA-N 1 3 316.489 3.710 20 0 DHADHO COC1CCC(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000513334100 340402855 /nfs/dbraw/zinc/40/28/55/340402855.db2.gz DWPWOXDPUAKRDS-OYGLOCFBSA-N 1 3 322.537 3.824 20 0 DHADHO C/C(=C/c1ccccc1)CNCc1ccccc1OCC[NH+](C)C ZINC000521833930 340535558 /nfs/dbraw/zinc/53/55/58/340535558.db2.gz IHPCXHPLLVWLAA-SDXDJHTJSA-N 1 3 324.468 3.820 20 0 DHADHO C[NH+]1CCC(C)(CNCc2cc(Cl)ccc2Cl)CC1 ZINC000227329584 340597958 /nfs/dbraw/zinc/59/79/58/340597958.db2.gz MSEVGFPOXISFBE-UHFFFAOYSA-N 1 3 301.261 3.815 20 0 DHADHO Clc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000530244689 340783548 /nfs/dbraw/zinc/78/35/48/340783548.db2.gz MRJUMWZWVOFBFK-MLHJIOFPSA-N 1 3 304.865 3.838 20 0 DHADHO COc1ccc(Cl)cc1[C@H](C)NCCC1CC[NH+](C)CC1 ZINC000125447720 340804254 /nfs/dbraw/zinc/80/42/54/340804254.db2.gz KFTDUFRNZCWXFA-ZDUSSCGKSA-N 1 3 310.869 3.731 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)C1 ZINC000542847620 341023267 /nfs/dbraw/zinc/02/32/67/341023267.db2.gz UJMURFUYJLZDJG-KSSFIOAISA-N 1 3 310.432 3.983 20 0 DHADHO C[C@@H](CC1CCCCC1)C[NH+]1CCC(OCCN(C)C)CC1 ZINC000543632223 341052373 /nfs/dbraw/zinc/05/23/73/341052373.db2.gz YBXQPINUZLDMLC-KRWDZBQOSA-N 1 3 310.526 3.636 20 0 DHADHO c1ccc2c(c1)CC[C@H](C[NH+]1CCC(N3CCCCC3)CC1)C2 ZINC000543842185 341061352 /nfs/dbraw/zinc/06/13/52/341061352.db2.gz BGGPSYSMGPFQLK-SFHVURJKSA-N 1 3 312.501 3.742 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(OCc3ccccc3)cc2)C1 ZINC000261539895 341282163 /nfs/dbraw/zinc/28/21/63/341282163.db2.gz DHLZCPCPUDBTOZ-MOPGFXCFSA-N 1 3 310.441 3.625 20 0 DHADHO Cc1nc2ccccc2c(N2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000549141788 341287054 /nfs/dbraw/zinc/28/70/54/341287054.db2.gz KPXOUTCHWSLNBY-QGZVFWFLSA-N 1 3 309.457 3.774 20 0 DHADHO CC(C)CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000549542129 341296937 /nfs/dbraw/zinc/29/69/37/341296937.db2.gz COZOZBCTJZPHCS-LMMKCTJWSA-N 1 3 310.526 3.680 20 0 DHADHO CC(C)CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000549542130 341296973 /nfs/dbraw/zinc/29/69/73/341296973.db2.gz COZOZBCTJZPHCS-LNLFQRSKSA-N 1 3 310.526 3.680 20 0 DHADHO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)ccc1F ZINC000245509341 341298415 /nfs/dbraw/zinc/29/84/15/341298415.db2.gz UJNNPCSTSJMDIZ-CABCVRRESA-N 1 3 308.441 3.605 20 0 DHADHO Cc1cc(Cl)cc(CNCc2cccc(C[NH+](C)C)c2)c1 ZINC000549709711 341301043 /nfs/dbraw/zinc/30/10/43/341301043.db2.gz OWIUOYBROQJOKC-UHFFFAOYSA-N 1 3 302.849 4.000 20 0 DHADHO CC(C)COc1ccccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000549821824 341304122 /nfs/dbraw/zinc/30/41/22/341304122.db2.gz GKDLEIYSAZMBOY-UHFFFAOYSA-N 1 3 318.505 3.885 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCCC23CCCC3)C[C@H](C)O1 ZINC000550629084 341319992 /nfs/dbraw/zinc/31/99/92/341319992.db2.gz OJLOHALSBDDEKS-OTWHNJEPSA-N 1 3 322.537 3.968 20 0 DHADHO C[N@@H+]1CC[C@@H](NCCOC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000550627464 341320031 /nfs/dbraw/zinc/32/00/31/341320031.db2.gz LSVUPVFNXIQDSV-UYAOXDASSA-N 1 3 316.489 3.761 20 0 DHADHO C[N@H+]1CC[C@@H](NCCOC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000550627464 341320032 /nfs/dbraw/zinc/32/00/32/341320032.db2.gz LSVUPVFNXIQDSV-UYAOXDASSA-N 1 3 316.489 3.761 20 0 DHADHO CCCN(CC)C[C@H](C)[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000550818340 341323524 /nfs/dbraw/zinc/32/35/24/341323524.db2.gz LEMVHNMMLVXZAC-IHPCNDPISA-N 1 3 317.521 3.532 20 0 DHADHO COc1ccc([C@H](C)NCCCCC[NH+]2CCCC2)c(F)c1 ZINC000550882186 341325262 /nfs/dbraw/zinc/32/52/62/341325262.db2.gz JVSNVNWKOKNZIC-HNNXBMFYSA-N 1 3 308.441 3.751 20 0 DHADHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccc1C ZINC000551014203 341329242 /nfs/dbraw/zinc/32/92/42/341329242.db2.gz KECBWWTWOQCTGP-WOJBJXKFSA-N 1 3 324.468 3.929 20 0 DHADHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccc1C ZINC000551014203 341329243 /nfs/dbraw/zinc/32/92/43/341329243.db2.gz KECBWWTWOQCTGP-WOJBJXKFSA-N 1 3 324.468 3.929 20 0 DHADHO C[C@@H]([NH2+]C1(CN[C@H]2CCOC2(C)C)CCCC1)c1ccccc1 ZINC000551051177 341330289 /nfs/dbraw/zinc/33/02/89/341330289.db2.gz OLPLLOSYPBLUGR-AEFFLSMTSA-N 1 3 316.489 3.807 20 0 DHADHO C[C@@H]1CN(CC2CC[NH+]([C@@H]3C=CCCCCC3)CC2)C[C@@H](C)O1 ZINC000551063017 341330662 /nfs/dbraw/zinc/33/06/62/341330662.db2.gz HKFYVNZSHOBVNJ-QWFCFKBJSA-N 1 3 320.521 3.697 20 0 DHADHO C[C@H](F)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000551265705 341336107 /nfs/dbraw/zinc/33/61/07/341336107.db2.gz YRMTYADLXRGKKP-GDAAHCPNSA-N 1 3 304.453 3.625 20 0 DHADHO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1Cl ZINC000551563281 341345641 /nfs/dbraw/zinc/34/56/41/341345641.db2.gz DVEKEISBERUSFH-XJKCOSOUSA-N 1 3 310.869 3.557 20 0 DHADHO CCOc1ccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)cc1Cl ZINC000551573219 341346014 /nfs/dbraw/zinc/34/60/14/341346014.db2.gz NVHOXMHYWAKKRB-BBRMVZONSA-N 1 3 310.869 3.559 20 0 DHADHO C[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3Br)CC[N@@H+]1C ZINC000246405363 341347535 /nfs/dbraw/zinc/34/75/35/341347535.db2.gz MALSBNLUMQAZHI-HSMVNMDESA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3Br)CC[N@H+]1C ZINC000246405363 341347536 /nfs/dbraw/zinc/34/75/36/341347536.db2.gz MALSBNLUMQAZHI-HSMVNMDESA-N 1 3 323.278 3.509 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCc2cccc(OCc3ccccc3)c2)C1 ZINC000261551713 341353383 /nfs/dbraw/zinc/35/33/83/341353383.db2.gz QVZDHBSFGFVLJM-OALUTQOASA-N 1 3 310.441 3.625 20 0 DHADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c(OCC2CC2)c1 ZINC000246850545 341357804 /nfs/dbraw/zinc/35/78/04/341357804.db2.gz CADMETYUEMMQFU-GPMSIDNRSA-N 1 3 316.489 3.602 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000246956545 341359058 /nfs/dbraw/zinc/35/90/58/341359058.db2.gz IPAZFQAAFHKDOA-APWZRJJASA-N 1 3 318.530 3.727 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1F ZINC000246956917 341359067 /nfs/dbraw/zinc/35/90/67/341359067.db2.gz IQBIENKKSZQWOP-HUUCEWRRSA-N 1 3 308.441 3.605 20 0 DHADHO COc1cccc([C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246979590 341359408 /nfs/dbraw/zinc/35/94/08/341359408.db2.gz VWDRDXJMPXBSRQ-KNBMTAEXSA-N 1 3 314.473 3.705 20 0 DHADHO COc1cccc([C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246979590 341359409 /nfs/dbraw/zinc/35/94/09/341359409.db2.gz VWDRDXJMPXBSRQ-KNBMTAEXSA-N 1 3 314.473 3.705 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2cc3c(s2)CCCC3)[C@@H]2CCC[C@@H]21 ZINC000552034845 341363660 /nfs/dbraw/zinc/36/36/60/341363660.db2.gz HOLAHIYGZLWODU-ULQDDVLXSA-N 1 3 304.503 3.589 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cc3c(s2)CCCC3)[C@@H]2CCC[C@@H]21 ZINC000552034845 341363661 /nfs/dbraw/zinc/36/36/61/341363661.db2.gz HOLAHIYGZLWODU-ULQDDVLXSA-N 1 3 304.503 3.589 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cc3c(s2)CCCC3)[C@@H]2CCC[C@@H]21 ZINC000552034845 341363662 /nfs/dbraw/zinc/36/36/62/341363662.db2.gz HOLAHIYGZLWODU-ULQDDVLXSA-N 1 3 304.503 3.589 20 0 DHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccccc2F)[C@@H](C)C1 ZINC000247979845 341371870 /nfs/dbraw/zinc/37/18/70/341371870.db2.gz MHEQHVPXHYKAQJ-FCEWJHQRSA-N 1 3 322.468 3.613 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCSc3ccc(Cl)cc3)CC[C@H]21 ZINC000248006706 341372114 /nfs/dbraw/zinc/37/21/14/341372114.db2.gz KVNJUKOVUPEOPN-RHSMWYFYSA-N 1 3 324.921 3.848 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCSc3ccc(Cl)cc3)CC[C@H]21 ZINC000248006706 341372115 /nfs/dbraw/zinc/37/21/15/341372115.db2.gz KVNJUKOVUPEOPN-RHSMWYFYSA-N 1 3 324.921 3.848 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CCOc3cccc4ccccc43)CC[C@H]21 ZINC000248142541 341373900 /nfs/dbraw/zinc/37/39/00/341373900.db2.gz PVDJHTPQOWVRTA-AZUAARDMSA-N 1 3 324.468 3.635 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CCOc3cccc4ccccc43)CC[C@H]21 ZINC000248142541 341373901 /nfs/dbraw/zinc/37/39/01/341373901.db2.gz PVDJHTPQOWVRTA-AZUAARDMSA-N 1 3 324.468 3.635 20 0 DHADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000249140989 341394501 /nfs/dbraw/zinc/39/45/01/341394501.db2.gz QDYNADIJCRNXBC-RRCSTGOVSA-N 1 3 314.395 3.651 20 0 DHADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000249144410 341394672 /nfs/dbraw/zinc/39/46/72/341394672.db2.gz SRXFNZMLYHERSC-BPUTZDHNSA-N 1 3 314.395 3.652 20 0 DHADHO CCC[NH+]1CCC(CN[C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000565732026 341536447 /nfs/dbraw/zinc/53/64/47/341536447.db2.gz DHRWHOYQNFDKPV-GOSISDBHSA-N 1 3 318.509 3.743 20 0 DHADHO CCO[C@@H](CC[NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000155687771 341611379 /nfs/dbraw/zinc/61/13/79/341611379.db2.gz ZSJZVGSCGXCWNX-IBGZPJMESA-N 1 3 310.526 3.824 20 0 DHADHO CCO[C@H](CC[NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000155687879 341611429 /nfs/dbraw/zinc/61/14/29/341611429.db2.gz ZSJZVGSCGXCWNX-LJQANCHMSA-N 1 3 310.526 3.824 20 0 DHADHO CC[NH+]1CCC(CN[C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000567662303 341625393 /nfs/dbraw/zinc/62/53/93/341625393.db2.gz BZQFEAMBOXHJHX-CYBMUJFWSA-N 1 3 310.869 3.731 20 0 DHADHO CSC1(CNCc2ccc(C)cc2Cl)CC[NH+](C)CC1 ZINC000577114398 341887107 /nfs/dbraw/zinc/88/71/07/341887107.db2.gz HQVLGCBDJOCDMU-UHFFFAOYSA-N 1 3 312.910 3.565 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000337329232 519770755 /nfs/dbraw/zinc/77/07/55/519770755.db2.gz FRKFVPIJTIAABZ-QGZVFWFLSA-N 1 3 304.478 3.576 20 0 DHADHO CC(C)OC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000337327324 519772729 /nfs/dbraw/zinc/77/27/29/519772729.db2.gz DDCQIJRQSRCBOE-OHSMVPPVSA-N 1 3 316.489 3.585 20 0 DHADHO CC(C)OC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000337327324 519772730 /nfs/dbraw/zinc/77/27/30/519772730.db2.gz DDCQIJRQSRCBOE-OHSMVPPVSA-N 1 3 316.489 3.585 20 0 DHADHO CC(C)[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000181941408 519820802 /nfs/dbraw/zinc/82/08/02/519820802.db2.gz SZFIGZMWXGUUOO-UGSOOPFHSA-N 1 3 308.416 3.736 20 0 DHADHO CC(C)[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000181941408 519820803 /nfs/dbraw/zinc/82/08/03/519820803.db2.gz SZFIGZMWXGUUOO-UGSOOPFHSA-N 1 3 308.416 3.736 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000337340751 521008549 /nfs/dbraw/zinc/00/85/49/521008549.db2.gz PRUSWGSSVHNDOC-QUCCMNQESA-N 1 3 315.505 3.819 20 0 DHADHO CC[NH+]1CCC(N[C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000159328829 521579156 /nfs/dbraw/zinc/57/91/56/521579156.db2.gz MPIVJRKHPSWLSC-INIZCTEOSA-N 1 3 309.457 3.884 20 0 DHADHO CCOC1CC(CC[NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000365051600 521645042 /nfs/dbraw/zinc/64/50/42/521645042.db2.gz GAZZORHKXKSXIX-OQUMVOOASA-N 1 3 322.537 3.824 20 0 DHADHO CCOC1CC(CCNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000365051600 521645046 /nfs/dbraw/zinc/64/50/46/521645046.db2.gz GAZZORHKXKSXIX-OQUMVOOASA-N 1 3 322.537 3.824 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000163309038 521711407 /nfs/dbraw/zinc/71/14/07/521711407.db2.gz DQIYUTKUQWSUAG-STQMWFEESA-N 1 3 316.367 3.578 20 0 DHADHO C[NH+](C)Cc1cccc(CNCc2ccc(OCC3CC3)cc2)c1 ZINC000190728571 521923520 /nfs/dbraw/zinc/92/35/20/521923520.db2.gz FZPJEBYGGZDEED-UHFFFAOYSA-N 1 3 324.468 3.827 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337343675 522050115 /nfs/dbraw/zinc/05/01/15/522050115.db2.gz SKSVVZVEQXXIFI-DSLXNQLJSA-N 1 3 301.478 3.570 20 0 DHADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)N1CCCCC1 ZINC000337270814 524196153 /nfs/dbraw/zinc/19/61/53/524196153.db2.gz ZZAYZURQXVBZRN-WSTZPKSXSA-N 1 3 315.505 3.962 20 0 DHADHO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2ccsc2S1 ZINC000130315614 524807977 /nfs/dbraw/zinc/80/79/77/524807977.db2.gz YKQFTJCDQCTQNA-SLEUVZQESA-N 1 3 308.516 3.747 20 0 DHADHO C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000226331945 524859684 /nfs/dbraw/zinc/85/96/84/524859684.db2.gz KCZVPSFPMRDSSZ-OBJOEFQTSA-N 1 3 300.368 3.826 20 0 DHADHO Cc1cccc([C@H](C)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000162523853 524876085 /nfs/dbraw/zinc/87/60/85/524876085.db2.gz XDPVXSVLDMDGOL-KRWDZBQOSA-N 1 3 312.457 3.786 20 0 DHADHO C[C@@H](c1cccc(Br)c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226325302 526064267 /nfs/dbraw/zinc/06/42/67/526064267.db2.gz YTJFZQUQWXIAOQ-STQMWFEESA-N 1 3 311.267 3.571 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(Br)cc1)C2 ZINC000285547678 536464265 /nfs/dbraw/zinc/46/42/65/536464265.db2.gz QLINJXXBRSKHCV-XYPWUTKMSA-N 1 3 323.278 3.506 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(Br)cc1)C2 ZINC000285547678 536464268 /nfs/dbraw/zinc/46/42/68/536464268.db2.gz QLINJXXBRSKHCV-XYPWUTKMSA-N 1 3 323.278 3.506 20 0 DHADHO Cc1ncc([C@@H](C)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)n1 ZINC000158574170 527306430 /nfs/dbraw/zinc/30/64/30/527306430.db2.gz KKBRRFFBBRLAJZ-HRCADAONSA-N 1 3 318.509 3.502 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000284586505 534945445 /nfs/dbraw/zinc/94/54/45/534945445.db2.gz ZMFORDMIVSEAQW-WOUAJJJCSA-N 1 3 316.489 3.509 20 0 DHADHO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1cccc(C)c1 ZINC000286041367 535894973 /nfs/dbraw/zinc/89/49/73/535894973.db2.gz KNWLZEZQJYWILX-IBGZPJMESA-N 1 3 304.478 3.537 20 0 DHADHO CCC[NH+]1CCC(CN[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180448193 1013091280 /nfs/dbraw/zinc/09/12/80/1013091280.db2.gz HNJGNAFFJRMBGM-OAQYLSRUSA-N 1 3 323.484 3.883 20 0 DHADHO CCCN(Cc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000037538864 1013182355 /nfs/dbraw/zinc/18/23/55/1013182355.db2.gz CNQNGBSSJFTCDS-UHFFFAOYSA-N 1 3 300.368 3.669 20 0 DHADHO CC(C)COc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000124351651 1013427747 /nfs/dbraw/zinc/42/77/47/1013427747.db2.gz YFYMBTDVQYAAAA-SJORKVTESA-N 1 3 316.489 3.856 20 0 DHADHO CC(C)COc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000124351651 1013427752 /nfs/dbraw/zinc/42/77/52/1013427752.db2.gz YFYMBTDVQYAAAA-SJORKVTESA-N 1 3 316.489 3.856 20 0 DHADHO C[C@@H]1SCC[N@H+](CC[C@@H]2CCCN2C)[C@H]1c1ccccc1 ZINC000340372233 1013524507 /nfs/dbraw/zinc/52/45/07/1013524507.db2.gz WLRUNVNIGNSZDS-RYQLBKOJSA-N 1 3 304.503 3.649 20 0 DHADHO C[C@@H]1SCC[N@@H+](CC[C@@H]2CCCN2C)[C@H]1c1ccccc1 ZINC000340372233 1013524511 /nfs/dbraw/zinc/52/45/11/1013524511.db2.gz WLRUNVNIGNSZDS-RYQLBKOJSA-N 1 3 304.503 3.649 20 0 DHADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000124389143 1013591503 /nfs/dbraw/zinc/59/15/03/1013591503.db2.gz LEDJNWZSBQKCLU-TZMCWYRMSA-N 1 3 321.534 3.884 20 0 DHADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccnc1Cl ZINC000247228435 1013626174 /nfs/dbraw/zinc/62/61/74/1013626174.db2.gz YCYHUUVNJLQDST-LSDHHAIUSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cccnc1Cl ZINC000247228435 1013626181 /nfs/dbraw/zinc/62/61/81/1013626181.db2.gz YCYHUUVNJLQDST-LSDHHAIUSA-N 1 3 309.885 3.898 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417318972 1013737779 /nfs/dbraw/zinc/73/77/79/1013737779.db2.gz ZXBUSVXVFPWYAC-WCXIOVBPSA-N 1 3 306.519 3.950 20 0 DHADHO C[C@H]1CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)CCN1 ZINC001210474988 1013878650 /nfs/dbraw/zinc/87/86/50/1013878650.db2.gz JWRODCJGUCZQBG-LBPRGKRZSA-N 1 3 301.261 3.610 20 0 DHADHO C[C@H]1CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)CCN1 ZINC001210474988 1013878655 /nfs/dbraw/zinc/87/86/55/1013878655.db2.gz JWRODCJGUCZQBG-LBPRGKRZSA-N 1 3 301.261 3.610 20 0 DHADHO CSCc1cccc(C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000188718867 1013892796 /nfs/dbraw/zinc/89/27/96/1013892796.db2.gz OXMSDAHDQZSKCH-UHFFFAOYSA-N 1 3 306.519 3.902 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCc2ccccc2COCc2ccccc2)C1 ZINC000656193175 1014101814 /nfs/dbraw/zinc/10/18/14/1014101814.db2.gz WULPGBZGMDTTEP-RTWAWAEBSA-N 1 3 324.468 3.763 20 0 DHADHO c1c2ccccc2[nH]c1CNCCC[N@@H+]1CCc2ccccc2C1 ZINC000683927231 1014116268 /nfs/dbraw/zinc/11/62/68/1014116268.db2.gz GYLCUIYZJJUDJJ-UHFFFAOYSA-N 1 3 319.452 3.706 20 0 DHADHO c1c2ccccc2[nH]c1CNCCC[N@H+]1CCc2ccccc2C1 ZINC000683927231 1014116271 /nfs/dbraw/zinc/11/62/71/1014116271.db2.gz GYLCUIYZJJUDJJ-UHFFFAOYSA-N 1 3 319.452 3.706 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(F)cc1 ZINC000398043751 1014116761 /nfs/dbraw/zinc/11/67/61/1014116761.db2.gz QNVGXPISMYGWGF-UZLBHIALSA-N 1 3 312.432 3.826 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(F)cc1 ZINC000398043751 1014116762 /nfs/dbraw/zinc/11/67/62/1014116762.db2.gz QNVGXPISMYGWGF-UZLBHIALSA-N 1 3 312.432 3.826 20 0 DHADHO COC[C@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(C)C ZINC000580695193 1014293882 /nfs/dbraw/zinc/29/38/82/1014293882.db2.gz VAYHAHQKUYAHRL-KRWDZBQOSA-N 1 3 312.542 3.926 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]Cc2cncs2)C[C@H](C)N1Cc1ccccc1 ZINC001168005521 1014401704 /nfs/dbraw/zinc/40/17/04/1014401704.db2.gz JGCZFWIKQUSWOG-SCAQPMJSSA-N 1 3 315.486 3.674 20 0 DHADHO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000427690479 1014515242 /nfs/dbraw/zinc/51/52/42/1014515242.db2.gz OMDLCMKSUOLSHX-UXHICEINSA-N 1 3 302.506 3.964 20 0 DHADHO C[C@H]1CC(NCCc2ccco2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168010496 1014526056 /nfs/dbraw/zinc/52/60/56/1014526056.db2.gz JSPXVTBUSKXMCN-IRXDYDNUSA-N 1 3 312.457 3.853 20 0 DHADHO C[C@H]([NH2+]CC12CC(C1)CN2)C(c1ccccc1)c1ccccc1 ZINC000665277553 1014652829 /nfs/dbraw/zinc/65/28/29/1014652829.db2.gz FIIUXVXJYLUFER-BQJIDLTASA-N 1 3 306.453 3.549 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCC(C2CCC2)CC1 ZINC000665284036 1014679393 /nfs/dbraw/zinc/67/93/93/1014679393.db2.gz ZHTYYDSALVGGPH-NVPAJSRCSA-N 1 3 301.478 3.858 20 0 DHADHO CC[N@H+](CCCN1CCCC1)Cc1cc2cc(OC)ccc2o1 ZINC000349386977 1014723269 /nfs/dbraw/zinc/72/32/69/1014723269.db2.gz TULOQPUMVMWDME-UHFFFAOYSA-N 1 3 316.445 3.749 20 0 DHADHO CC[N@@H+](CCCN1CCCC1)Cc1cc2cc(OC)ccc2o1 ZINC000349386977 1014723276 /nfs/dbraw/zinc/72/32/76/1014723276.db2.gz TULOQPUMVMWDME-UHFFFAOYSA-N 1 3 316.445 3.749 20 0 DHADHO [NH3+]CC[C@@H]1CCCN(Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000442933028 1014773430 /nfs/dbraw/zinc/77/34/30/1014773430.db2.gz ZJLBKXVIGKLSTI-HNNXBMFYSA-N 1 3 321.896 3.501 20 0 DHADHO COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c2ccccc12 ZINC000092043665 1014806418 /nfs/dbraw/zinc/80/64/18/1014806418.db2.gz CCEBBDNPPDKOID-XLIONFOSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c2ccccc12 ZINC000092043665 1014806432 /nfs/dbraw/zinc/80/64/32/1014806432.db2.gz CCEBBDNPPDKOID-XLIONFOSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc12 ZINC000092043665 1014806446 /nfs/dbraw/zinc/80/64/46/1014806446.db2.gz CCEBBDNPPDKOID-XLIONFOSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc12 ZINC000092043665 1014806457 /nfs/dbraw/zinc/80/64/57/1014806457.db2.gz CCEBBDNPPDKOID-XLIONFOSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1OC ZINC000341185739 1014970535 /nfs/dbraw/zinc/97/05/35/1014970535.db2.gz MKJHKIUGXBGYNT-HZPDHXFCSA-N 1 3 320.477 3.537 20 0 DHADHO Cc1ccccc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656682318 1015063007 /nfs/dbraw/zinc/06/30/07/1015063007.db2.gz ATSOBRITDIOZAM-SFHVURJKSA-N 1 3 323.484 3.953 20 0 DHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCN(C)C(C)C)cc1OC ZINC000474463718 1015380208 /nfs/dbraw/zinc/38/02/08/1015380208.db2.gz FZNAKTPYZKQONN-HZPDHXFCSA-N 1 3 322.493 3.516 20 0 DHADHO CCSC[C@@H](C)[NH+]1CCC(N(C)Cc2ccccc2)CC1 ZINC001173305400 1033658400 /nfs/dbraw/zinc/65/84/00/1033658400.db2.gz OBOOLUUBJCGSSN-MRXNPFEDSA-N 1 3 306.519 3.724 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000281017137 1015820825 /nfs/dbraw/zinc/82/08/25/1015820825.db2.gz ZBLYHOXLSAHJJH-SFHVURJKSA-N 1 3 301.478 3.775 20 0 DHADHO C[NH2+]CCC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000346694560 1016509279 /nfs/dbraw/zinc/50/92/79/1016509279.db2.gz UXDXGSOVKRNWET-UHFFFAOYSA-N 1 3 321.515 3.693 20 0 DHADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000281456193 1016519907 /nfs/dbraw/zinc/51/99/07/1016519907.db2.gz DPOYIGNVAJTXOA-KRWDZBQOSA-N 1 3 320.452 3.674 20 0 DHADHO CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2ncc(CN)s2)cc1 ZINC000629707013 1016587531 /nfs/dbraw/zinc/58/75/31/1016587531.db2.gz FVOSGVWJVCPHBW-HNNXBMFYSA-N 1 3 301.459 3.643 20 0 DHADHO CC[C@H]1CCC[N@H+]1Cc1ccc(-c2ncc(CN)s2)cc1 ZINC000629707013 1016587541 /nfs/dbraw/zinc/58/75/41/1016587541.db2.gz FVOSGVWJVCPHBW-HNNXBMFYSA-N 1 3 301.459 3.643 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1OC ZINC000152398054 1016590047 /nfs/dbraw/zinc/59/00/47/1016590047.db2.gz BYQIEFOHXUWCAU-CXAGYDPISA-N 1 3 322.880 3.874 20 0 DHADHO CSC1(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000336720552 1016704747 /nfs/dbraw/zinc/70/47/47/1016704747.db2.gz UFUCBCQEYNWALN-SFHVURJKSA-N 1 3 318.530 3.774 20 0 DHADHO CC[NH2+]CC1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000347075619 1016719261 /nfs/dbraw/zinc/71/92/61/1016719261.db2.gz ULVHTKSVBLEJGM-UHFFFAOYSA-N 1 3 307.507 3.622 20 0 DHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccncc2Cl)C1 ZINC000623358760 1016985276 /nfs/dbraw/zinc/98/52/76/1016985276.db2.gz QTYVRLMAPQGFGL-HUUCEWRRSA-N 1 3 309.885 3.583 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCCC12CCN(C)CC2 ZINC000475122981 1016984021 /nfs/dbraw/zinc/98/40/21/1016984021.db2.gz VUYVKUZFVLSALC-MRXNPFEDSA-N 1 3 304.453 3.707 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CCCC12CCN(C)CC2 ZINC000475122981 1016984033 /nfs/dbraw/zinc/98/40/33/1016984033.db2.gz VUYVKUZFVLSALC-MRXNPFEDSA-N 1 3 304.453 3.707 20 0 DHADHO C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(N2CCCC2)c1 ZINC000623444552 1017049556 /nfs/dbraw/zinc/04/95/56/1017049556.db2.gz KOCYSOSTJHQNSF-AEFFLSMTSA-N 1 3 315.505 3.810 20 0 DHADHO C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(N2CCCC2)c1 ZINC000623444552 1017049559 /nfs/dbraw/zinc/04/95/59/1017049559.db2.gz KOCYSOSTJHQNSF-AEFFLSMTSA-N 1 3 315.505 3.810 20 0 DHADHO FC1(F)[C@@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC001168311400 1032194798 /nfs/dbraw/zinc/19/47/98/1032194798.db2.gz ZHRAZYMEBMRKDJ-MSOLQXFVSA-N 1 3 320.427 3.760 20 0 DHADHO Clc1ccccc1[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000294999553 1032241171 /nfs/dbraw/zinc/24/11/71/1032241171.db2.gz LXQBBCMQFDVRLK-VGWMRTNUSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccccc1[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000294999553 1032241177 /nfs/dbraw/zinc/24/11/77/1032241177.db2.gz LXQBBCMQFDVRLK-VGWMRTNUSA-N 1 3 304.865 3.802 20 0 DHADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000179634672 1017276938 /nfs/dbraw/zinc/27/69/38/1017276938.db2.gz BVDZFKIDPVYDMB-OAHLLOKOSA-N 1 3 300.471 3.799 20 0 DHADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000179634672 1017276949 /nfs/dbraw/zinc/27/69/49/1017276949.db2.gz BVDZFKIDPVYDMB-OAHLLOKOSA-N 1 3 300.471 3.799 20 0 DHADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000179630963 1017277456 /nfs/dbraw/zinc/27/74/56/1017277456.db2.gz QMDAYJGJRYDJMU-AWEZNQCLSA-N 1 3 318.461 3.938 20 0 DHADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000179630963 1017277476 /nfs/dbraw/zinc/27/74/76/1017277476.db2.gz QMDAYJGJRYDJMU-AWEZNQCLSA-N 1 3 318.461 3.938 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(C(F)F)CC2)CC1 ZINC000475214606 1017087033 /nfs/dbraw/zinc/08/70/33/1017087033.db2.gz JKLMFFTVDRKWOZ-UKRRQHHQSA-N 1 3 300.437 3.664 20 0 DHADHO CC(C)(C[NH2+][C@H]1Cc2ccc(Cl)cc2C1)CN1CCCC1 ZINC000477938209 1033374022 /nfs/dbraw/zinc/37/40/22/1033374022.db2.gz NOBNWIDBLBXOTP-KRWDZBQOSA-N 1 3 306.881 3.519 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc(-c4ccccn4)c3)CC[C@@H]21 ZINC000092043453 1032471483 /nfs/dbraw/zinc/47/14/83/1032471483.db2.gz VOWSEDKWVPMIGC-FPOVZHCZSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc(-c4ccccn4)c3)CC[C@@H]21 ZINC000092043453 1032471489 /nfs/dbraw/zinc/47/14/89/1032471489.db2.gz VOWSEDKWVPMIGC-FPOVZHCZSA-N 1 3 321.468 3.665 20 0 DHADHO COc1ccc(-c2ccc(CNC3CC[NH+](C)CC3)cc2)cc1 ZINC000177380237 1017101689 /nfs/dbraw/zinc/10/16/89/1017101689.db2.gz GWGBSWGQNZOAJR-UHFFFAOYSA-N 1 3 310.441 3.546 20 0 DHADHO C[C@@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424368373 1012014792 /nfs/dbraw/zinc/01/47/92/1012014792.db2.gz PTBXEUIQRFBHKD-COLVAYQJSA-N 1 3 301.261 3.784 20 0 DHADHO C[C@@H]1CC[C@H](C[NH3+])CN1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761339 1012076189 /nfs/dbraw/zinc/07/61/89/1012076189.db2.gz WYWZTEURHZGIJN-TZMCWYRMSA-N 1 3 315.288 3.985 20 0 DHADHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761339 1012076207 /nfs/dbraw/zinc/07/62/07/1012076207.db2.gz WYWZTEURHZGIJN-TZMCWYRMSA-N 1 3 315.288 3.985 20 0 DHADHO C[C@@H]1CC[C@H](CN)C[N@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761339 1012076222 /nfs/dbraw/zinc/07/62/22/1012076222.db2.gz WYWZTEURHZGIJN-TZMCWYRMSA-N 1 3 315.288 3.985 20 0 DHADHO Cc1ccc(C)c(OCCCN(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000514005443 1012247116 /nfs/dbraw/zinc/24/71/16/1012247116.db2.gz JYYITGCGBFPOSU-UHFFFAOYSA-N 1 3 318.505 3.877 20 0 DHADHO F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000517104958 1012911161 /nfs/dbraw/zinc/91/11/61/1012911161.db2.gz WRZVNFWMQGANOV-FQBWVUSXSA-N 1 3 302.437 3.662 20 0 DHADHO C[C@@H]1C[C@@H](CC[NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC000366682581 1012984622 /nfs/dbraw/zinc/98/46/22/1012984622.db2.gz TZIIDPAQIVKHIP-MSOLQXFVSA-N 1 3 322.537 3.826 20 0 DHADHO C[C@@H]1CCC[C@H](C)N1CC1(C[N@H+]2[C@H](C)CCC[C@@H]2C)COC1 ZINC000119414625 1013031982 /nfs/dbraw/zinc/03/19/82/1013031982.db2.gz XUWHIKDAYDZXBY-USTZCAOPSA-N 1 3 308.510 3.529 20 0 DHADHO C[C@@H]1CCC[C@H](C)N1CC1(C[N@@H+]2[C@H](C)CCC[C@@H]2C)COC1 ZINC000119414625 1013032003 /nfs/dbraw/zinc/03/20/03/1013032003.db2.gz XUWHIKDAYDZXBY-USTZCAOPSA-N 1 3 308.510 3.529 20 0 DHADHO CSCCN(C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168060686 1017110167 /nfs/dbraw/zinc/11/01/67/1017110167.db2.gz XQSINWIQBGZYQK-HZPDHXFCSA-N 1 3 306.519 3.723 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000178036425 1017152989 /nfs/dbraw/zinc/15/29/89/1017152989.db2.gz NGHQARCIHPZNTG-XHSDSOJGSA-N 1 3 310.507 3.678 20 0 DHADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000623656258 1017156314 /nfs/dbraw/zinc/15/63/14/1017156314.db2.gz QJFLMKVIZFCBAQ-CQSZACIVSA-N 1 3 317.864 3.710 20 0 DHADHO CC[C@H]([NH2+]CCCN1CCCC1)c1ccc(OC(F)F)cc1 ZINC000178414257 1017175865 /nfs/dbraw/zinc/17/58/65/1017175865.db2.gz ONKHHYZZINLNFH-INIZCTEOSA-N 1 3 312.404 3.815 20 0 DHADHO CC[C@@H]1COCC[N@@H+]1C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168063279 1017192762 /nfs/dbraw/zinc/19/27/62/1017192762.db2.gz MOUAUPFXSBCAGT-ZHALLVOQSA-N 1 3 316.489 3.539 20 0 DHADHO CC[C@@H]1COCC[N@H+]1C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168063279 1017192766 /nfs/dbraw/zinc/19/27/66/1017192766.db2.gz MOUAUPFXSBCAGT-ZHALLVOQSA-N 1 3 316.489 3.539 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171447479 1032695368 /nfs/dbraw/zinc/69/53/68/1032695368.db2.gz CWIXJCCYNVLBPK-KRWDZBQOSA-N 1 3 322.443 3.534 20 0 DHADHO FC1(F)C[C@@H]1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716635411 1032699323 /nfs/dbraw/zinc/69/93/23/1032699323.db2.gz FSLJDPPWNJMEBJ-FJIDUMEYSA-N 1 3 320.427 3.674 20 0 DHADHO FC1(F)C[C@H]1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716635414 1032699885 /nfs/dbraw/zinc/69/98/85/1032699885.db2.gz FSLJDPPWNJMEBJ-MLHJIOFPSA-N 1 3 320.427 3.674 20 0 DHADHO C[C@@H]1SCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716685986 1032702239 /nfs/dbraw/zinc/70/22/39/1032702239.db2.gz YSIQMEAUYNBDOL-XFUTXVRSSA-N 1 3 316.514 3.523 20 0 DHADHO CSC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716682120 1032702447 /nfs/dbraw/zinc/70/24/47/1032702447.db2.gz MZUOTNQQEAJWOQ-BZSNNMDCSA-N 1 3 318.530 3.771 20 0 DHADHO Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)c1 ZINC000657612369 1017571692 /nfs/dbraw/zinc/57/16/92/1017571692.db2.gz MXGSACVMXDLXNI-UHFFFAOYSA-N 1 3 323.484 3.700 20 0 DHADHO CC[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613144 1017573432 /nfs/dbraw/zinc/57/34/32/1017573432.db2.gz WRMMIOKKXIIOCZ-PXNSSMCTSA-N 1 3 315.505 3.852 20 0 DHADHO c1cc(CN2CCC(C[NH2+]C3CCC4(CC4)CC3)CC2)ccn1 ZINC000657613502 1017574274 /nfs/dbraw/zinc/57/42/74/1017574274.db2.gz LTWFCIDBAMUAJS-UHFFFAOYSA-N 1 3 313.489 3.606 20 0 DHADHO C[C@H]1CCC[C@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613179 1017575550 /nfs/dbraw/zinc/57/55/50/1017575550.db2.gz HOBDPGMNNCZWMA-PXNSSMCTSA-N 1 3 315.505 3.710 20 0 DHADHO C[C@H]1CN(CCC[NH+]2CCCCC2)CC[C@@H]1c1ccccc1 ZINC000444598769 1017590261 /nfs/dbraw/zinc/59/02/61/1017590261.db2.gz PLZNPWCWABXWMC-ICSRJNTNSA-N 1 3 300.490 3.988 20 0 DHADHO CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624119695 1017692817 /nfs/dbraw/zinc/69/28/17/1017692817.db2.gz HGLUCZKRVMLQFH-IRXDYDNUSA-N 1 3 304.478 3.858 20 0 DHADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)CCS2 ZINC000624123362 1017695030 /nfs/dbraw/zinc/69/50/30/1017695030.db2.gz KPYFYTOWDHVUCA-YOEHRIQHSA-N 1 3 320.502 3.554 20 0 DHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123455 1017695269 /nfs/dbraw/zinc/69/52/69/1017695269.db2.gz MGMPTXLGMWSGEF-BEFAXECRSA-N 1 3 316.489 3.739 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000624123266 1017695747 /nfs/dbraw/zinc/69/57/47/1017695747.db2.gz IVXZXZJWJCGLCZ-GUDVDZBRSA-N 1 3 315.505 3.738 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000624123269 1017696604 /nfs/dbraw/zinc/69/66/04/1017696604.db2.gz IVXZXZJWJCGLCZ-QRVBRYPASA-N 1 3 315.505 3.738 20 0 DHADHO Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000185715617 1018125385 /nfs/dbraw/zinc/12/53/85/1018125385.db2.gz IKXIDJBLSARZIB-MJGOQNOKSA-N 1 3 300.490 3.780 20 0 DHADHO CN1CC[C@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CC1(C)C ZINC000623476481 1032749356 /nfs/dbraw/zinc/74/93/56/1032749356.db2.gz BHDZGMKFUHIRHD-AWEZNQCLSA-N 1 3 308.416 3.806 20 0 DHADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000446816805 1018252771 /nfs/dbraw/zinc/25/27/71/1018252771.db2.gz DYKQKPQODLPRAN-JTDSTZFVSA-N 1 3 322.468 3.756 20 0 DHADHO CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000446931966 1018295490 /nfs/dbraw/zinc/29/54/90/1018295490.db2.gz GFQLQOXUKDOIAQ-AQNXPRMDSA-N 1 3 318.505 3.690 20 0 DHADHO CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000446931967 1018296817 /nfs/dbraw/zinc/29/68/17/1018296817.db2.gz GFQLQOXUKDOIAQ-UFYCRDLUSA-N 1 3 318.505 3.690 20 0 DHADHO Clc1cccc2c1SCC[C@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000152469828 1032760187 /nfs/dbraw/zinc/76/01/87/1032760187.db2.gz FAOQZRNFPDXHKG-BLLLJJGKSA-N 1 3 322.905 3.951 20 0 DHADHO COc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080339069 1018450341 /nfs/dbraw/zinc/45/03/41/1018450341.db2.gz WJUGKZITVVJDRZ-FXAWDEMLSA-N 1 3 324.468 3.838 20 0 DHADHO COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080339069 1018450344 /nfs/dbraw/zinc/45/03/44/1018450344.db2.gz WJUGKZITVVJDRZ-FXAWDEMLSA-N 1 3 324.468 3.838 20 0 DHADHO FC(F)(F)c1ccccc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261837136 1018459665 /nfs/dbraw/zinc/45/96/65/1018459665.db2.gz CCAZRJBRRLNRBT-MRXNPFEDSA-N 1 3 312.379 3.669 20 0 DHADHO CCCN(CCC[NH3+])[C@H](C)CSc1ccc(Cl)cc1 ZINC001172874946 1033446089 /nfs/dbraw/zinc/44/60/89/1033446089.db2.gz JMWGGZMHHABKQE-CYBMUJFWSA-N 1 3 300.899 3.881 20 0 DHADHO Cc1nc2ccc(CN3CCC[C@H](C)[C@H]3CC[NH3+])cc2s1 ZINC000650712075 1018540493 /nfs/dbraw/zinc/54/04/93/1018540493.db2.gz PTAZKIWLDJUFAO-BLLLJJGKSA-N 1 3 303.475 3.554 20 0 DHADHO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000583564434 1018563141 /nfs/dbraw/zinc/56/31/41/1018563141.db2.gz QDBDMGWFIGIGMN-SWBPCFCJSA-N 1 3 316.464 3.767 20 0 DHADHO CCC[NH+]1CCC(NC[C@@H](Nc2ccccc2)C(C)C)CC1 ZINC000154113821 1018573074 /nfs/dbraw/zinc/57/30/74/1018573074.db2.gz QGUSPQQRPKTPAS-LJQANCHMSA-N 1 3 303.494 3.587 20 0 DHADHO Cc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1Cl ZINC000650723121 1018576762 /nfs/dbraw/zinc/57/67/62/1018576762.db2.gz HRJAWUGWUKHBGR-NXHRZFHOSA-N 1 3 322.880 3.509 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1nccc2ccccc21 ZINC000650755934 1018682451 /nfs/dbraw/zinc/68/24/51/1018682451.db2.gz PPXVIXQAEPCPGN-OAHLLOKOSA-N 1 3 305.425 3.805 20 0 DHADHO CCc1nc2c(s1)[C@@H](NCc1ccccc1C[NH2+]C)CCC2 ZINC000650758409 1018691927 /nfs/dbraw/zinc/69/19/27/1018691927.db2.gz OZFZQUZWXNUMJW-HNNXBMFYSA-N 1 3 315.486 3.592 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2c1cccc2Cl ZINC000650758254 1018694077 /nfs/dbraw/zinc/69/40/77/1018694077.db2.gz LWCKJGGXJPKHRZ-GOSISDBHSA-N 1 3 300.833 3.837 20 0 DHADHO COc1ccc2c(c1)nccc2NC1CC[NH+](C(C)(C)C)CC1 ZINC000765469397 1018799182 /nfs/dbraw/zinc/79/91/82/1018799182.db2.gz BDHVMRZUJOYZEQ-UHFFFAOYSA-N 1 3 313.445 3.918 20 0 DHADHO c1ccc(OCCCCC[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666993730 1032791163 /nfs/dbraw/zinc/79/11/63/1032791163.db2.gz GPCXYIXTUNIBJK-KRWDZBQOSA-N 1 3 302.462 3.500 20 0 DHADHO COc1ccc2c(c1)nccc2NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000765525333 1018866487 /nfs/dbraw/zinc/86/64/87/1018866487.db2.gz LKDRKJWJGSKZRP-HNNXBMFYSA-N 1 3 313.445 3.633 20 0 DHADHO COc1ccc2c(c1)nccc2NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000765525333 1018866502 /nfs/dbraw/zinc/86/65/02/1018866502.db2.gz LKDRKJWJGSKZRP-HNNXBMFYSA-N 1 3 313.445 3.633 20 0 DHADHO c1ccc(OCCCCC[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666993731 1032792421 /nfs/dbraw/zinc/79/24/21/1032792421.db2.gz GPCXYIXTUNIBJK-QGZVFWFLSA-N 1 3 302.462 3.500 20 0 DHADHO CN1C(C)(C)CC([NH2+]C2([C@H]3CCOC(C)(C)C3)CC2)CC1(C)C ZINC001171629486 1032793701 /nfs/dbraw/zinc/79/37/01/1032793701.db2.gz SVXIKFPJQRCYEI-HNNXBMFYSA-N 1 3 322.537 3.965 20 0 DHADHO CC1(C)C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)C(C)(C)O1 ZINC000922949416 1018934123 /nfs/dbraw/zinc/93/41/23/1018934123.db2.gz XPRIRRSDMBAUGD-MRXNPFEDSA-N 1 3 322.537 3.967 20 0 DHADHO CN1C(C)(C)CC([NH2+]C(C)(C)Cc2cccnc2)CC1(C)C ZINC001171631287 1032796195 /nfs/dbraw/zinc/79/61/95/1032796195.db2.gz XNUGSQHQAPXRCS-UHFFFAOYSA-N 1 3 303.494 3.644 20 0 DHADHO N[C@@H]1C[C@H]([NH2+]CCc2c(F)cccc2Cl)c2ccccc21 ZINC001118120436 1018989737 /nfs/dbraw/zinc/98/97/37/1018989737.db2.gz XBXKEWFEMKWSNZ-SJORKVTESA-N 1 3 304.796 3.756 20 0 DHADHO COC1CCC(CC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171625506 1032805756 /nfs/dbraw/zinc/80/57/56/1032805756.db2.gz KENDCWXMGYYNQC-UHFFFAOYSA-N 1 3 310.526 3.823 20 0 DHADHO CC1(C)SC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000338773813 1019168564 /nfs/dbraw/zinc/16/85/64/1019168564.db2.gz GECJQLSTVXAUCK-FBVQUNGASA-N 1 3 316.514 3.666 20 0 DHADHO CC1(C)SC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000338773813 1019168571 /nfs/dbraw/zinc/16/85/71/1019168571.db2.gz GECJQLSTVXAUCK-FBVQUNGASA-N 1 3 316.514 3.666 20 0 DHADHO CC(C)CCn1cccc1CNCc1ccc(C[NH+](C)C)cc1 ZINC000161556748 1019215540 /nfs/dbraw/zinc/21/55/40/1019215540.db2.gz DEJUILUGSFHWFB-UHFFFAOYSA-N 1 3 313.489 3.886 20 0 DHADHO C([NH2+]C1CCN(CC2CCCCC2)CC1)C1CCSCC1 ZINC000765969149 1019345863 /nfs/dbraw/zinc/34/58/63/1019345863.db2.gz PPZDQXLVYFVLSN-UHFFFAOYSA-N 1 3 310.551 3.764 20 0 DHADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000166254736 1019669965 /nfs/dbraw/zinc/66/99/65/1019669965.db2.gz ASOZOMFLVXVPMM-IAGOWNOFSA-N 1 3 306.881 3.834 20 0 DHADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000166254736 1019669973 /nfs/dbraw/zinc/66/99/73/1019669973.db2.gz ASOZOMFLVXVPMM-IAGOWNOFSA-N 1 3 306.881 3.834 20 0 DHADHO CCC[NH+]1CCC(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166021950 1019767706 /nfs/dbraw/zinc/76/77/06/1019767706.db2.gz UXEZPXYHDCWWOV-PXNSSMCTSA-N 1 3 316.489 3.618 20 0 DHADHO C[C@@H](CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccccn1 ZINC000658061777 1020112647 /nfs/dbraw/zinc/11/26/47/1020112647.db2.gz CUQPPQQYMLBQBP-AOIWGVFYSA-N 1 3 315.505 3.818 20 0 DHADHO C[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H]1C ZINC000658168827 1020199639 /nfs/dbraw/zinc/19/96/39/1020199639.db2.gz ZJSBOXXDKQYANZ-HLIPFELVSA-N 1 3 315.505 3.708 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H]1C ZINC000658168824 1020199952 /nfs/dbraw/zinc/19/99/52/1020199952.db2.gz ZJSBOXXDKQYANZ-FUHIMQAGSA-N 1 3 315.505 3.708 20 0 DHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccsc1 ZINC000658167710 1020200224 /nfs/dbraw/zinc/20/02/24/1020200224.db2.gz TYKKRRDDEXCZHJ-HNNXBMFYSA-N 1 3 315.486 3.706 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@]2(C)CC2(F)F)CC1 ZINC000658217996 1020244696 /nfs/dbraw/zinc/24/46/96/1020244696.db2.gz IGNRXUGCFYGQKC-KBMXLJTQSA-N 1 3 300.437 3.664 20 0 DHADHO CC(C)O[C@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1(C)C ZINC000765805457 1020263829 /nfs/dbraw/zinc/26/38/29/1020263829.db2.gz CNDYMYXFMOGWGI-OALUTQOASA-N 1 3 322.537 3.823 20 0 DHADHO Cc1cnc(Cl)c(CNC2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000922846886 1020305781 /nfs/dbraw/zinc/30/57/81/1020305781.db2.gz RVXNEJSBQZZQGE-UHFFFAOYSA-N 1 3 307.869 3.540 20 0 DHADHO C[C@H](CSc1ccc(Cl)cc1)NCC[C@@H]1CCC[N@@H+]1C ZINC001172881977 1033455495 /nfs/dbraw/zinc/45/54/95/1033455495.db2.gz KRMCJVWEZJIPER-HIFRSBDPSA-N 1 3 312.910 3.895 20 0 DHADHO C[C@H](CSc1ccc(Cl)cc1)NCC[C@@H]1CCC[N@H+]1C ZINC001172881977 1033455502 /nfs/dbraw/zinc/45/55/02/1033455502.db2.gz KRMCJVWEZJIPER-HIFRSBDPSA-N 1 3 312.910 3.895 20 0 DHADHO C[C@H](CSc1ccc(Cl)cc1)[NH2+]CC[C@@H]1CCCN1C ZINC001172881977 1033455509 /nfs/dbraw/zinc/45/55/09/1033455509.db2.gz KRMCJVWEZJIPER-HIFRSBDPSA-N 1 3 312.910 3.895 20 0 DHADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC000733614184 1020418940 /nfs/dbraw/zinc/41/89/40/1020418940.db2.gz BTIBFMBKHKUFRM-MRXNPFEDSA-N 1 3 308.425 3.970 20 0 DHADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC000733614184 1020418945 /nfs/dbraw/zinc/41/89/45/1020418945.db2.gz BTIBFMBKHKUFRM-MRXNPFEDSA-N 1 3 308.425 3.970 20 0 DHADHO C[NH+](C)CCC1CCN(Cc2cnc(-c3ccccc3)o2)CC1 ZINC000929327350 1020445108 /nfs/dbraw/zinc/44/51/08/1020445108.db2.gz HGYMMIHQRANSCU-UHFFFAOYSA-N 1 3 313.445 3.505 20 0 DHADHO COCc1csc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926701575 1020714434 /nfs/dbraw/zinc/71/44/34/1020714434.db2.gz AQCKDECVQOIEDY-CQSZACIVSA-N 1 3 318.486 3.807 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171957737 1032923981 /nfs/dbraw/zinc/92/39/81/1032923981.db2.gz BTBYJQFFCQOEKB-AWEZNQCLSA-N 1 3 316.411 3.958 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H]1CCCN1C ZINC001171960446 1032929619 /nfs/dbraw/zinc/92/96/19/1032929619.db2.gz ZOQRNUOYVADPAV-CZUORRHYSA-N 1 3 314.395 3.710 20 0 DHADHO CC[C@@H]1CN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647497826 1020767175 /nfs/dbraw/zinc/76/71/75/1020767175.db2.gz WTWPNXWAYFSLEX-IOASZLSFSA-N 1 3 314.395 3.868 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c(C)c1 ZINC000414075334 1020850147 /nfs/dbraw/zinc/85/01/47/1020850147.db2.gz HCOFYZWMBHQIPW-OAHLLOKOSA-N 1 3 304.478 3.917 20 0 DHADHO C[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)CC(F)(F)F ZINC000414280952 1021055932 /nfs/dbraw/zinc/05/59/32/1021055932.db2.gz LXVCKWNJZVEESL-CYBMUJFWSA-N 1 3 306.416 3.962 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000414292797 1021064918 /nfs/dbraw/zinc/06/49/18/1021064918.db2.gz VJEVIBJCEJHSLW-GDAAHCPNSA-N 1 3 304.453 3.767 20 0 DHADHO COCC1CCC([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000414315699 1021086955 /nfs/dbraw/zinc/08/69/55/1021086955.db2.gz SIQPOIXSRURHCR-KMEYYKJISA-N 1 3 322.537 3.824 20 0 DHADHO CCN(CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079389 1032980510 /nfs/dbraw/zinc/98/05/10/1032980510.db2.gz OAZBXGQZAMECCE-PMOLBWCYSA-N 1 3 316.489 3.540 20 0 DHADHO CCN(CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079389 1032980537 /nfs/dbraw/zinc/98/05/37/1032980537.db2.gz OAZBXGQZAMECCE-PMOLBWCYSA-N 1 3 316.489 3.540 20 0 DHADHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850422753 1021524853 /nfs/dbraw/zinc/52/48/53/1021524853.db2.gz BRCRRNVUCVHVPS-INIZCTEOSA-N 1 3 316.489 3.783 20 0 DHADHO C[N@@H+]1CCCC2(CCN(Cc3cc4ccccc4cn3)CC2)C1 ZINC001279181181 1021564899 /nfs/dbraw/zinc/56/48/99/1021564899.db2.gz OVCYXCUNKRAHJQ-UHFFFAOYSA-N 1 3 309.457 3.543 20 0 DHADHO C[N@H+]1CCCC2(CCN(Cc3cc4ccccc4cn3)CC2)C1 ZINC001279181181 1021564902 /nfs/dbraw/zinc/56/49/02/1021564902.db2.gz OVCYXCUNKRAHJQ-UHFFFAOYSA-N 1 3 309.457 3.543 20 0 DHADHO CCC[NH+]1CCC(CN[C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093405265 1021580837 /nfs/dbraw/zinc/58/08/37/1021580837.db2.gz VCTHIIPUORGSGT-CQSZACIVSA-N 1 3 321.534 3.795 20 0 DHADHO CCC[NH+]1CCC(CN[C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093405264 1021581471 /nfs/dbraw/zinc/58/14/71/1021581471.db2.gz VCTHIIPUORGSGT-AWEZNQCLSA-N 1 3 321.534 3.795 20 0 DHADHO C[N@H+](CCCNC1CC2(C1)COC(C)(C)C2)C1CCCCC1 ZINC000924602276 1021588171 /nfs/dbraw/zinc/58/81/71/1021588171.db2.gz VMRIKSGDUMVFQT-UHFFFAOYSA-N 1 3 308.510 3.578 20 0 DHADHO C[N@@H+](CCCNC1CC2(C1)COC(C)(C)C2)C1CCCCC1 ZINC000924602276 1021588182 /nfs/dbraw/zinc/58/81/82/1021588182.db2.gz VMRIKSGDUMVFQT-UHFFFAOYSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](NCC1CC[NH+](CC2CC2)CC1)c1cccnc1Cl ZINC000850583973 1021625272 /nfs/dbraw/zinc/62/52/72/1021625272.db2.gz PBAMGOGXVVFBNL-ZDUSSCGKSA-N 1 3 307.869 3.508 20 0 DHADHO CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000556589035 1021780534 /nfs/dbraw/zinc/78/05/34/1021780534.db2.gz HHDUDCZTYQZMJX-SJORKVTESA-N 1 3 304.478 3.858 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](c1ccnc(Cl)c1)C1CC1)C2 ZINC001172109265 1033012595 /nfs/dbraw/zinc/01/25/95/1033012595.db2.gz JGXZUDCOSRILRC-CUSZFKRNSA-N 1 3 319.880 3.791 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](c1ccnc(Cl)c1)C1CC1)C2 ZINC001172109265 1033012601 /nfs/dbraw/zinc/01/26/01/1033012601.db2.gz JGXZUDCOSRILRC-CUSZFKRNSA-N 1 3 319.880 3.791 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000556869358 1021913416 /nfs/dbraw/zinc/91/34/16/1021913416.db2.gz GXIIACHHAMNDJE-HUUCEWRRSA-N 1 3 310.432 3.607 20 0 DHADHO COc1ccc(C2(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCC2)cc1 ZINC001172114004 1033016526 /nfs/dbraw/zinc/01/65/26/1033016526.db2.gz LJSCBBVTSFXRPK-NNZMDNLPSA-N 1 3 314.473 3.679 20 0 DHADHO COc1ccc(C2(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCC2)cc1 ZINC001172114004 1033016542 /nfs/dbraw/zinc/01/65/42/1033016542.db2.gz LJSCBBVTSFXRPK-NNZMDNLPSA-N 1 3 314.473 3.679 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@]3(O)CCCC3(C)C)CC2)C1 ZINC000556934503 1021956882 /nfs/dbraw/zinc/95/68/82/1021956882.db2.gz WFFVOPVIRJMDQK-POAQFYNOSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@]3(O)CCCC3(C)C)CC2)C1 ZINC000556934503 1021956893 /nfs/dbraw/zinc/95/68/93/1021956893.db2.gz WFFVOPVIRJMDQK-POAQFYNOSA-N 1 3 322.537 3.560 20 0 DHADHO C[NH+]1CCC2(CCCN(Cc3nsc4ccccc43)C2)CC1 ZINC000852007469 1022058829 /nfs/dbraw/zinc/05/88/29/1022058829.db2.gz NNIAIHGJEIVHMC-UHFFFAOYSA-N 1 3 315.486 3.604 20 0 DHADHO C[C@H]1CN(Cc2cc(F)ccc2C(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001205995980 1022184890 /nfs/dbraw/zinc/18/48/90/1022184890.db2.gz SRXRPEDAIXCGAJ-NWDGAFQWSA-N 1 3 318.358 3.651 20 0 DHADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(OC(F)(F)F)c1 ZINC000181911544 1022249983 /nfs/dbraw/zinc/24/99/83/1022249983.db2.gz QCRSNWUGXZSUOH-TZMCWYRMSA-N 1 3 316.367 3.720 20 0 DHADHO FC(F)(F)C1CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925535570 1022262957 /nfs/dbraw/zinc/26/29/57/1022262957.db2.gz HKMXHWLDTZUTHT-SSHXOBKSSA-N 1 3 318.427 3.865 20 0 DHADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000156725325 1022487797 /nfs/dbraw/zinc/48/77/97/1022487797.db2.gz MFSCNFQHJTXMPE-HNNXBMFYSA-N 1 3 304.478 3.999 20 0 DHADHO C[C@H]([NH2+]Cc1cccs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272164250 1022494127 /nfs/dbraw/zinc/49/41/27/1022494127.db2.gz GOBFDQXVRCJEDD-DOTOQJQBSA-N 1 3 300.471 3.748 20 0 DHADHO C[C@H](NCc1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272164250 1022494133 /nfs/dbraw/zinc/49/41/33/1022494133.db2.gz GOBFDQXVRCJEDD-DOTOQJQBSA-N 1 3 300.471 3.748 20 0 DHADHO C[C@H](NCc1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272164250 1022494137 /nfs/dbraw/zinc/49/41/37/1022494137.db2.gz GOBFDQXVRCJEDD-DOTOQJQBSA-N 1 3 300.471 3.748 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157052744 1022517809 /nfs/dbraw/zinc/51/78/09/1022517809.db2.gz ULNWCKGPBVOBHH-HZPDHXFCSA-N 1 3 304.478 3.856 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157052744 1022517814 /nfs/dbraw/zinc/51/78/14/1022517814.db2.gz ULNWCKGPBVOBHH-HZPDHXFCSA-N 1 3 304.478 3.856 20 0 DHADHO COCCC[NH+]1CCC(NC(C)(C)c2cccc(Cl)c2)CC1 ZINC001172247570 1033066136 /nfs/dbraw/zinc/06/61/36/1033066136.db2.gz MORYVSWTUYIGRV-UHFFFAOYSA-N 1 3 324.896 3.666 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417318971 1022681275 /nfs/dbraw/zinc/68/12/75/1022681275.db2.gz ZXBUSVXVFPWYAC-VVLHAWIVSA-N 1 3 306.519 3.950 20 0 DHADHO COCCC[NH+]1CCC(N[C@H](CC(C)C)c2cccs2)CC1 ZINC000159162935 1022696675 /nfs/dbraw/zinc/69/66/75/1022696675.db2.gz CDENRUMLPZDIQG-QGZVFWFLSA-N 1 3 324.534 3.926 20 0 DHADHO COC1(CCN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC000338997504 1022840973 /nfs/dbraw/zinc/84/09/73/1022840973.db2.gz NIQKNOJGVLSXIT-ZWKOTPCHSA-N 1 3 308.510 3.532 20 0 DHADHO COC1(CCN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC000338997504 1022840990 /nfs/dbraw/zinc/84/09/90/1022840990.db2.gz NIQKNOJGVLSXIT-ZWKOTPCHSA-N 1 3 308.510 3.532 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000893324045 1022879052 /nfs/dbraw/zinc/87/90/52/1022879052.db2.gz NKZZXRZPDRHEOS-UHFFFAOYSA-N 1 3 300.368 3.727 20 0 DHADHO CC[C@H](C)OCC[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001172326161 1033090363 /nfs/dbraw/zinc/09/03/63/1033090363.db2.gz CDNPJXVQAKSURX-IRXDYDNUSA-N 1 3 310.526 3.824 20 0 DHADHO CCCCOc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000414933069 1022941101 /nfs/dbraw/zinc/94/11/01/1022941101.db2.gz WMAGTOFULHWBHZ-IAGOWNOFSA-N 1 3 320.477 3.624 20 0 DHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000164487647 1022952715 /nfs/dbraw/zinc/95/27/15/1022952715.db2.gz DRPYUQGCVQHBOX-HNNXBMFYSA-N 1 3 321.484 3.807 20 0 DHADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000164807056 1022960847 /nfs/dbraw/zinc/96/08/47/1022960847.db2.gz BBOZXDYLMDXJNG-JTDSTZFVSA-N 1 3 316.489 3.826 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NC2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000622043799 1023005079 /nfs/dbraw/zinc/00/50/79/1023005079.db2.gz MMSGDFLWJYJWMP-CABCVRRESA-N 1 3 312.379 3.944 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OC(C)C)[C@H](C)C1 ZINC000167692408 1023043257 /nfs/dbraw/zinc/04/32/57/1023043257.db2.gz GKWCXFJHTRIHCM-AEFFLSMTSA-N 1 3 304.478 3.602 20 0 DHADHO C[C@@H]1CC[C@@H]([NH+]2CCC(N)(Cc3ccc(F)cc3)CC2)C[C@@H]1C ZINC001172365554 1033144551 /nfs/dbraw/zinc/14/45/51/1033144551.db2.gz ABKDMIUEIBPXES-JTDSTZFVSA-N 1 3 318.480 3.986 20 0 DHADHO C[C@@H]1CC[C@H]([NH+]2CCC(N)(Cc3ccccc3)CC2)C[C@H]1C ZINC001172368507 1033148854 /nfs/dbraw/zinc/14/88/54/1033148854.db2.gz ITPBBRJPWACPOL-LMMKCTJWSA-N 1 3 300.490 3.847 20 0 DHADHO c1ccc(CC[NH+]2CCC(N[C@H]3CCc4ccccc43)CC2)cc1 ZINC000236737280 1023673725 /nfs/dbraw/zinc/67/37/25/1023673725.db2.gz OKHQQLYCOKILBL-QFIPXVFZSA-N 1 3 320.480 3.971 20 0 DHADHO C[C@@H]1CCC[N@H+](CCCCN[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788529087 1023907245 /nfs/dbraw/zinc/90/72/45/1023907245.db2.gz QQILSDQXQZMIIQ-ZBFHGGJFSA-N 1 3 321.896 3.824 20 0 DHADHO C[C@@H]1CCC[N@@H+](CCCCN[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788529087 1023907247 /nfs/dbraw/zinc/90/72/47/1023907247.db2.gz QQILSDQXQZMIIQ-ZBFHGGJFSA-N 1 3 321.896 3.824 20 0 DHADHO CN(C)CC[C@H]([NH2+][C@H]1CCc2ccc(Cl)nc21)C(C)(C)C ZINC000788602496 1023911634 /nfs/dbraw/zinc/91/16/34/1023911634.db2.gz BMPCMAHEXBAFJO-KBPBESRZSA-N 1 3 309.885 3.678 20 0 DHADHO C[N@H+](CCCN)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408352 1023986357 /nfs/dbraw/zinc/98/63/57/1023986357.db2.gz ZYMYPHHVLNUSFE-CABCVRRESA-N 1 3 300.368 3.622 20 0 DHADHO C[N@@H+](CCCN)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408352 1023986370 /nfs/dbraw/zinc/98/63/70/1023986370.db2.gz ZYMYPHHVLNUSFE-CABCVRRESA-N 1 3 300.368 3.622 20 0 DHADHO CN(CCC[NH3+])[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408352 1023986374 /nfs/dbraw/zinc/98/63/74/1023986374.db2.gz ZYMYPHHVLNUSFE-CABCVRRESA-N 1 3 300.368 3.622 20 0 DHADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(O)c1 ZINC000194837381 1024018036 /nfs/dbraw/zinc/01/80/36/1024018036.db2.gz LADBYKDDJLXGNG-MRXNPFEDSA-N 1 3 310.441 3.839 20 0 DHADHO Fc1cccc(C2(NCc3cccc4c3CC[NH2+]C4)CCC2)c1 ZINC000662285445 1024069850 /nfs/dbraw/zinc/06/98/50/1024069850.db2.gz JYRAHYKCQUSFDK-UHFFFAOYSA-N 1 3 310.416 3.640 20 0 DHADHO C[C@@H]1CCCN(Cc2csc(-c3ccoc3)n2)[C@@H]1CCC[NH3+] ZINC000662315709 1024101212 /nfs/dbraw/zinc/10/12/12/1024101212.db2.gz JFFZCRRIJCWELM-CZUORRHYSA-N 1 3 319.474 3.743 20 0 DHADHO CN1CCCC[C@H]1CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000268672264 1024141347 /nfs/dbraw/zinc/14/13/47/1024141347.db2.gz UMYIQWYBXZTGPG-KRWDZBQOSA-N 1 3 324.472 3.526 20 0 DHADHO CN1CCCC[C@H]1CC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000268672264 1024141355 /nfs/dbraw/zinc/14/13/55/1024141355.db2.gz UMYIQWYBXZTGPG-KRWDZBQOSA-N 1 3 324.472 3.526 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000925766719 1024184875 /nfs/dbraw/zinc/18/48/75/1024184875.db2.gz LLSQEFMFADDSLZ-OXQOHEQNSA-N 1 3 311.473 3.767 20 0 DHADHO Cc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000453082081 1024321901 /nfs/dbraw/zinc/32/19/01/1024321901.db2.gz MBFAJBGKUQLYBB-LZWOXQAQSA-N 1 3 310.507 3.597 20 0 DHADHO CC1CCC(O)(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000663463533 1024396206 /nfs/dbraw/zinc/39/62/06/1024396206.db2.gz DMJWEOSKSLACRJ-HECZYDGTSA-N 1 3 322.537 3.560 20 0 DHADHO CC(C)COCC[C@H](C)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001172454726 1033210267 /nfs/dbraw/zinc/21/02/67/1033210267.db2.gz BSFGFTFABJRTPI-PKOBYXMFSA-N 1 3 306.494 3.720 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC000925777858 1024430208 /nfs/dbraw/zinc/43/02/08/1024430208.db2.gz HPRKTINMCJLNAD-GWCFXTLKSA-N 1 3 322.321 3.601 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(C(C)(C)C)cc1 ZINC000925778513 1024435803 /nfs/dbraw/zinc/43/58/03/1024435803.db2.gz JSNLZZNTWNYOCS-CJNGLKHVSA-N 1 3 310.432 3.880 20 0 DHADHO c1ccc([C@H](C[C@H]2CCOC2)NCCC[NH+]2CCCCC2)cc1 ZINC000166027152 1024448042 /nfs/dbraw/zinc/44/80/42/1024448042.db2.gz CWAFIVCZPWXPHD-QUCCMNQESA-N 1 3 316.489 3.620 20 0 DHADHO Cc1ccncc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453330326 1024451295 /nfs/dbraw/zinc/45/12/95/1024451295.db2.gz SHDJXINFJPXWOR-WKCHPHFGSA-N 1 3 321.468 3.675 20 0 DHADHO Cc1ccncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453330325 1024451527 /nfs/dbraw/zinc/45/15/27/1024451527.db2.gz SHDJXINFJPXWOR-MZADTFQBSA-N 1 3 321.468 3.675 20 0 DHADHO C[C@@H]1C[C@@H](NCCc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000271544612 1024537439 /nfs/dbraw/zinc/53/74/39/1024537439.db2.gz UVBVSQTYDVFPOA-YPMHNXCESA-N 1 3 323.893 3.565 20 0 DHADHO C[C@@H]1C[C@@H](NCCc2nc3cc(Cl)ccc3s2)CC[N@H+]1C ZINC000271544612 1024537442 /nfs/dbraw/zinc/53/74/42/1024537442.db2.gz UVBVSQTYDVFPOA-YPMHNXCESA-N 1 3 323.893 3.565 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCC(F)(F)F)CC1 ZINC000532164905 1024567993 /nfs/dbraw/zinc/56/79/93/1024567993.db2.gz JVIGUANBCSZXNT-AWEZNQCLSA-N 1 3 306.416 3.915 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCC(F)(F)F)CC1 ZINC000532164905 1024567999 /nfs/dbraw/zinc/56/79/99/1024567999.db2.gz JVIGUANBCSZXNT-AWEZNQCLSA-N 1 3 306.416 3.915 20 0 DHADHO c1c[nH]c(CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001204009807 1025009881 /nfs/dbraw/zinc/00/98/81/1025009881.db2.gz DOMRJPAJQVOUAO-UHFFFAOYSA-N 1 3 323.484 3.893 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000040622779 1025242768 /nfs/dbraw/zinc/24/27/68/1025242768.db2.gz XXSQFUPOZCSSEM-FHERZECASA-N 1 3 306.881 3.906 20 0 DHADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccnc1 ZINC000112518424 1025247601 /nfs/dbraw/zinc/24/76/01/1025247601.db2.gz MVFWVPRXARTNOF-KRWDZBQOSA-N 1 3 309.457 3.918 20 0 DHADHO CC(C)[N@H+](CCCN)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172574701 1033271527 /nfs/dbraw/zinc/27/15/27/1033271527.db2.gz CWJAGXHMSNQJEK-LBPRGKRZSA-N 1 3 318.839 3.999 20 0 DHADHO CC(C)[N@@H+](CCCN)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172574701 1033271533 /nfs/dbraw/zinc/27/15/33/1033271533.db2.gz CWJAGXHMSNQJEK-LBPRGKRZSA-N 1 3 318.839 3.999 20 0 DHADHO C1CC2(C1)C[C@@H]([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)CCS2 ZINC000925857675 1025333161 /nfs/dbraw/zinc/33/31/61/1025333161.db2.gz HUYDCGVHKXBTKW-YESZJQIVSA-N 1 3 308.535 3.563 20 0 DHADHO C1CC2(C1)C[C@H]([NH2+][C@H]1CCNC[C@H]1C1CCCC1)CCS2 ZINC000925857664 1025333421 /nfs/dbraw/zinc/33/34/21/1025333421.db2.gz HUYDCGVHKXBTKW-IKGGRYGDSA-N 1 3 308.535 3.563 20 0 DHADHO COc1ccc2cc([C@@H](C)NC[C@@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000124355145 1025336809 /nfs/dbraw/zinc/33/68/09/1025336809.db2.gz UXLUVRGVOUXACJ-CVEARBPZSA-N 1 3 324.468 3.983 20 0 DHADHO COc1ccc2cc([C@@H](C)NC[C@@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000124355145 1025336827 /nfs/dbraw/zinc/33/68/27/1025336827.db2.gz UXLUVRGVOUXACJ-CVEARBPZSA-N 1 3 324.468 3.983 20 0 DHADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000897448555 1025343512 /nfs/dbraw/zinc/34/35/12/1025343512.db2.gz XEHIQEIGCYHJIO-UHFFFAOYSA-N 1 3 322.537 3.826 20 0 DHADHO CO[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000885953927 1025416829 /nfs/dbraw/zinc/41/68/29/1025416829.db2.gz JRHBGKSXDCWWOB-IEBWSBKVSA-N 1 3 308.510 3.578 20 0 DHADHO CC[C@@H](OCC[N@@H+]1CCC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000660663074 1025433233 /nfs/dbraw/zinc/43/32/33/1025433233.db2.gz NAKGCVRZEVTKJQ-UXHICEINSA-N 1 3 316.489 3.572 20 0 DHADHO CC[C@@H](OCC[N@H+]1CCC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000660663074 1025433244 /nfs/dbraw/zinc/43/32/44/1025433244.db2.gz NAKGCVRZEVTKJQ-UXHICEINSA-N 1 3 316.489 3.572 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCc2nccs2)CC1 ZINC000359872589 1025724174 /nfs/dbraw/zinc/72/41/74/1025724174.db2.gz PFYFFRYPWZODLW-WBVHZDCISA-N 1 3 321.534 3.708 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)C1 ZINC000163302093 1026128890 /nfs/dbraw/zinc/12/88/90/1026128890.db2.gz ZRNLUTNFICTNKH-RYUDHWBXSA-N 1 3 301.261 3.986 20 0 DHADHO Cc1ccc([C@H](C)NCc2ccccc2OCC[NH+](C)C)s1 ZINC000122274409 1026179503 /nfs/dbraw/zinc/17/95/03/1026179503.db2.gz SOGICMOAUJCEIO-HNNXBMFYSA-N 1 3 318.486 3.848 20 0 DHADHO CC[N@@H+]1CC[C@H](CNC/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000289899199 1026222932 /nfs/dbraw/zinc/22/29/32/1026222932.db2.gz NIFCKBUZHDCBQM-YVGNARHYSA-N 1 3 324.415 3.623 20 0 DHADHO CC[N@H+]1CC[C@H](CNC/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000289899199 1026222944 /nfs/dbraw/zinc/22/29/44/1026222944.db2.gz NIFCKBUZHDCBQM-YVGNARHYSA-N 1 3 324.415 3.623 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C1CCOCC1 ZINC000513335400 1026480452 /nfs/dbraw/zinc/48/04/52/1026480452.db2.gz OVNONIQQTPGVLJ-AHRSYUTCSA-N 1 3 322.537 3.824 20 0 DHADHO Clc1ccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280126590 1026600665 /nfs/dbraw/zinc/60/06/65/1026600665.db2.gz CBAYTMIUNPYFSM-LEUOFYLZSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280126590 1026600668 /nfs/dbraw/zinc/60/06/68/1026600668.db2.gz CBAYTMIUNPYFSM-LEUOFYLZSA-N 1 3 304.865 3.802 20 0 DHADHO CCN(Cc1cc(C)oc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739880 1026610869 /nfs/dbraw/zinc/61/08/69/1026610869.db2.gz VWANISZJKZFMDV-UHFFFAOYSA-N 1 3 300.446 3.980 20 0 DHADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cncc2ccccc21 ZINC000809739155 1026610991 /nfs/dbraw/zinc/61/09/91/1026610991.db2.gz ZFQAVVWAJIYVSU-UHFFFAOYSA-N 1 3 319.452 3.928 20 0 DHADHO CCN(C[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000647886112 1026679944 /nfs/dbraw/zinc/67/99/44/1026679944.db2.gz UJZVTUCPPVPYNP-CHWSQXEVSA-N 1 3 300.368 3.698 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000280758962 1026704649 /nfs/dbraw/zinc/70/46/49/1026704649.db2.gz FGWUBDXRVPXPIT-KGLIPLIRSA-N 1 3 314.395 3.568 20 0 DHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000420300466 1026798513 /nfs/dbraw/zinc/79/85/13/1026798513.db2.gz HNAFAQXXPDSDIF-DOTOQJQBSA-N 1 3 316.470 3.636 20 0 DHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000420300466 1026798525 /nfs/dbraw/zinc/79/85/25/1026798525.db2.gz HNAFAQXXPDSDIF-DOTOQJQBSA-N 1 3 316.470 3.636 20 0 DHADHO CC[C@@H](c1ccc(F)cc1F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420340524 1026802257 /nfs/dbraw/zinc/80/22/57/1026802257.db2.gz SHDMPXRUEPFQEL-MSOLQXFVSA-N 1 3 308.416 3.880 20 0 DHADHO C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330161 1026806229 /nfs/dbraw/zinc/80/62/29/1026806229.db2.gz PNJOPBFCKSOFHJ-VHDGCEQUSA-N 1 3 310.844 3.862 20 0 DHADHO C[C@H](c1ccccc1Cl)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420382066 1026811297 /nfs/dbraw/zinc/81/12/97/1026811297.db2.gz DILDKIQFNXDEED-DDUZABMNSA-N 1 3 322.880 3.619 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)NC[C@@H]1CCC[NH2+]C1 ZINC000420399434 1026814134 /nfs/dbraw/zinc/81/41/34/1026814134.db2.gz HUNZLATWRPWMLK-MSOLQXFVSA-N 1 3 314.498 3.930 20 0 DHADHO COc1ccc([C@H](CN)C[NH2+][C@H](C)c2cccc(C)c2C)cc1 ZINC000420415731 1026814374 /nfs/dbraw/zinc/81/43/74/1026814374.db2.gz VDGDMHCKQBGSSV-SJLPKXTDSA-N 1 3 312.457 3.705 20 0 DHADHO Cc1ccsc1[C@@H](Cc1ccccc1)NC[C@@H]1CCC[NH2+]C1 ZINC000420399435 1026814626 /nfs/dbraw/zinc/81/46/26/1026814626.db2.gz HUNZLATWRPWMLK-QZTJIDSGSA-N 1 3 314.498 3.930 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCC2(O)CCC2)CC1 ZINC000421383727 1026974141 /nfs/dbraw/zinc/97/41/41/1026974141.db2.gz LTBDFOWLNCRQKJ-UHFFFAOYSA-N 1 3 324.553 3.950 20 0 DHADHO C[C@@H]1C[C@H](CN2CCC(C)([NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000931609845 1027186686 /nfs/dbraw/zinc/18/66/86/1027186686.db2.gz LMIHZPLQHQJAJO-PIIMJCKOSA-N 1 3 308.510 3.530 20 0 DHADHO COc1ccc(F)c(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000572307020 1027192274 /nfs/dbraw/zinc/19/22/74/1027192274.db2.gz ZISBJGWWMBAFSN-HZPDHXFCSA-N 1 3 322.468 3.682 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422702233 1027296111 /nfs/dbraw/zinc/29/61/11/1027296111.db2.gz DMNYOXLCJJVUCN-ZDUSSCGKSA-N 1 3 315.436 3.616 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCSc1ccccc1 ZINC000422766337 1027313376 /nfs/dbraw/zinc/31/33/76/1027313376.db2.gz WYQWYOQBXKEQCH-CQSZACIVSA-N 1 3 315.486 3.682 20 0 DHADHO CCOc1cccc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422780221 1027316922 /nfs/dbraw/zinc/31/69/22/1027316922.db2.gz JXUCTLWYACZWGG-KGLIPLIRSA-N 1 3 313.445 3.659 20 0 DHADHO Cc1cccc(O[C@H](C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422778092 1027318473 /nfs/dbraw/zinc/31/84/73/1027318473.db2.gz ABEPHPXWSOXBMF-RSPOEFSDSA-N 1 3 316.489 3.663 20 0 DHADHO Cc1ccccc1O[C@H](C)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422784112 1027319089 /nfs/dbraw/zinc/31/90/89/1027319089.db2.gz IBMPHMLPCYKZNN-NCXUSEDFSA-N 1 3 316.489 3.663 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000422794933 1027322417 /nfs/dbraw/zinc/32/24/17/1027322417.db2.gz UUOITSYNUDOOBL-KGLIPLIRSA-N 1 3 315.486 3.680 20 0 DHADHO CCc1ccccc1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422785574 1027322837 /nfs/dbraw/zinc/32/28/37/1027322837.db2.gz PLPCVYUXAZWKHP-PZJWPPBQSA-N 1 3 322.452 3.595 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H]3CNCC[C@@H]3C)cc2)cs1 ZINC000422807754 1027332447 /nfs/dbraw/zinc/33/24/47/1027332447.db2.gz PJNRZISGMQVZEI-GDZNZVCISA-N 1 3 315.486 3.767 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000422833366 1027335321 /nfs/dbraw/zinc/33/53/21/1027335321.db2.gz GOIQYGOEJXCRDK-PWRODBHTSA-N 1 3 308.469 3.730 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924958209 1027337169 /nfs/dbraw/zinc/33/71/69/1027337169.db2.gz CWHQIIIFXALOOI-SJORKVTESA-N 1 3 318.505 3.685 20 0 DHADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccccc1COCc1ccccc1 ZINC000422852427 1027338011 /nfs/dbraw/zinc/33/80/11/1027338011.db2.gz ANOXBOSDGQLFRA-IAGOWNOFSA-N 1 3 312.457 3.619 20 0 DHADHO Cc1ccc([C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C2CC2)cc1 ZINC000422816177 1027339034 /nfs/dbraw/zinc/33/90/34/1027339034.db2.gz ZHOIFUUQLUEAIS-QRWLVFNGSA-N 1 3 309.457 3.959 20 0 DHADHO N[C@@H]1C[C@H]([NH2+]C[C@H]2SCCc3ccccc32)c2ccccc21 ZINC000422838283 1027339220 /nfs/dbraw/zinc/33/92/20/1027339220.db2.gz OALKGLJOTKBXJD-CEXWTWQISA-N 1 3 310.466 3.751 20 0 DHADHO CC[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)Oc1ccccc1F ZINC000422816841 1027339447 /nfs/dbraw/zinc/33/94/47/1027339447.db2.gz GBNOTRXSZUXSJJ-JEBQAFNWSA-N 1 3 314.404 3.718 20 0 DHADHO C[C@@H](CCCC[NH3+])N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422885203 1027350808 /nfs/dbraw/zinc/35/08/08/1027350808.db2.gz GJYCRBIXPNCBNV-KBXCAEBGSA-N 1 3 317.864 3.932 20 0 DHADHO CC(C)c1nc(CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)cs1 ZINC000422900687 1027353089 /nfs/dbraw/zinc/35/30/89/1027353089.db2.gz JWMRWGYTQQYAAH-CVEARBPZSA-N 1 3 301.459 3.543 20 0 DHADHO C[C@H]([NH2+]CCc1nc(C2CCCCC2)cs1)[C@H]1CCCCN1 ZINC000422906658 1027357009 /nfs/dbraw/zinc/35/70/09/1027357009.db2.gz ABEIPJGARLISRW-GOEBONIOSA-N 1 3 321.534 3.854 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cccc2ccccc21 ZINC000422943914 1027375156 /nfs/dbraw/zinc/37/51/56/1027375156.db2.gz ZBTZKLOOCSEZFU-HNNXBMFYSA-N 1 3 319.452 3.895 20 0 DHADHO CC(C)[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)Nc1ccccc1 ZINC000422981575 1027387479 /nfs/dbraw/zinc/38/74/79/1027387479.db2.gz SYYBBNXDOMNECA-AABGKKOBSA-N 1 3 309.457 3.858 20 0 DHADHO Fc1ccc(C2(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000423016767 1027389787 /nfs/dbraw/zinc/38/97/87/1027389787.db2.gz UNQMOIZQQQTRFQ-FHLIZLRMSA-N 1 3 320.427 3.507 20 0 DHADHO [NH3+][C@H]1CCC[C@@H]1NCCSCc1ccc(Cl)cc1Cl ZINC000423019040 1027391518 /nfs/dbraw/zinc/39/15/18/1027391518.db2.gz SYOGHMASEOHHOY-KBPBESRZSA-N 1 3 319.301 3.696 20 0 DHADHO CC[C@H](CSc1ccc(C)c(C)c1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423007873 1027391886 /nfs/dbraw/zinc/39/18/86/1027391886.db2.gz YWLWRDWASSVVMN-BRWVUGGUSA-N 1 3 306.519 3.762 20 0 DHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423022239 1027393455 /nfs/dbraw/zinc/39/34/55/1027393455.db2.gz HEZDOZPRUFEIQY-WBMJQRKESA-N 1 3 310.844 3.618 20 0 DHADHO COCCC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCCCC1 ZINC000423065242 1027404150 /nfs/dbraw/zinc/40/41/50/1027404150.db2.gz SYQMDCOMYQAWEX-MSOLQXFVSA-N 1 3 302.462 3.708 20 0 DHADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000423063928 1027404183 /nfs/dbraw/zinc/40/41/83/1027404183.db2.gz QAKWNNCZOHXSOF-RBSFLKMASA-N 1 3 300.368 3.582 20 0 DHADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)c1ccc(C(F)(F)F)cc1 ZINC000423068651 1027407032 /nfs/dbraw/zinc/40/70/32/1027407032.db2.gz KJFARHGUPSSXES-DOMZBBRYSA-N 1 3 314.395 3.700 20 0 DHADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2cccc(Cl)c2F)CCCC1 ZINC000423078678 1027410130 /nfs/dbraw/zinc/41/01/30/1027410130.db2.gz OXWZJZCRVZZNPW-LSDHHAIUSA-N 1 3 310.844 3.760 20 0 DHADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423095555 1027414421 /nfs/dbraw/zinc/41/44/21/1027414421.db2.gz FKPZFLMZYXTXOC-FPQZTECRSA-N 1 3 301.261 3.955 20 0 DHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423096945 1027415531 /nfs/dbraw/zinc/41/55/31/1027415531.db2.gz QCPGJTGYJNLFCZ-FDTVDDQNSA-N 1 3 310.844 3.774 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423096945 1027415537 /nfs/dbraw/zinc/41/55/37/1027415537.db2.gz QCPGJTGYJNLFCZ-FDTVDDQNSA-N 1 3 310.844 3.774 20 0 DHADHO C[C@@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000423117354 1027417137 /nfs/dbraw/zinc/41/71/37/1027417137.db2.gz VBSWWRLYGWSZCE-DIOULYMOSA-N 1 3 312.379 3.744 20 0 DHADHO N[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c2ccccc21 ZINC000423122346 1027421994 /nfs/dbraw/zinc/42/19/94/1027421994.db2.gz KJTZZGWXCZXUMM-XCLNPWKQSA-N 1 3 308.425 3.641 20 0 DHADHO N[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c2ccccc21 ZINC000423122342 1027422316 /nfs/dbraw/zinc/42/23/16/1027422316.db2.gz KJTZZGWXCZXUMM-GEALJGNFSA-N 1 3 308.425 3.641 20 0 DHADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000423130771 1027425267 /nfs/dbraw/zinc/42/52/67/1027425267.db2.gz YZOSOWWHDRABIQ-TUKIKUTGSA-N 1 3 320.889 3.937 20 0 DHADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000423130770 1027425866 /nfs/dbraw/zinc/42/58/66/1027425866.db2.gz YZOSOWWHDRABIQ-NILFDRSVSA-N 1 3 320.889 3.937 20 0 DHADHO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C2CCNCC2)cc1 ZINC000423177393 1027442424 /nfs/dbraw/zinc/44/24/24/1027442424.db2.gz DUEQMRAAHXAPTR-KRWDZBQOSA-N 1 3 316.489 3.694 20 0 DHADHO C[C@H]([NH2+]CC1(N)CCCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423208047 1027445780 /nfs/dbraw/zinc/44/57/80/1027445780.db2.gz YLTDLYHNGWCLQT-INIZCTEOSA-N 1 3 312.461 3.575 20 0 DHADHO CCC(N)(CC)C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423281162 1027479350 /nfs/dbraw/zinc/47/93/50/1027479350.db2.gz AOTWBSGMSLAYDU-OLZOCXBDSA-N 1 3 305.491 3.895 20 0 DHADHO CCC(N)(CC)C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423291309 1027486365 /nfs/dbraw/zinc/48/63/65/1027486365.db2.gz HUJHVERJNMDHOH-IAGOWNOFSA-N 1 3 324.896 3.537 20 0 DHADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(-c2ccccc2F)s1 ZINC000423311625 1027495873 /nfs/dbraw/zinc/49/58/73/1027495873.db2.gz CCVQZENGQYHHKH-IAQYHMDHSA-N 1 3 304.434 3.942 20 0 DHADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423310006 1027496709 /nfs/dbraw/zinc/49/67/09/1027496709.db2.gz RAXXZBPUNPEVHU-DFBGVHRSSA-N 1 3 300.368 3.526 20 0 DHADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(-c2ccccc2F)s1 ZINC000423311624 1027497285 /nfs/dbraw/zinc/49/72/85/1027497285.db2.gz CCVQZENGQYHHKH-ABAIWWIYSA-N 1 3 304.434 3.942 20 0 DHADHO C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@H](C)c1nc2ccccc2s1 ZINC000423356642 1027519728 /nfs/dbraw/zinc/51/97/28/1027519728.db2.gz HBCMDDGPNRFTPV-BFHYXJOUSA-N 1 3 303.475 3.520 20 0 DHADHO C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)cc1 ZINC000423365461 1027523288 /nfs/dbraw/zinc/52/32/88/1027523288.db2.gz BUDOOVHMWXKHDZ-SRUIHLQDSA-N 1 3 316.489 3.693 20 0 DHADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCN[C@H](C)C2)cc1F ZINC000423366282 1027524399 /nfs/dbraw/zinc/52/43/99/1027524399.db2.gz CJRLDJJKPNIIMW-VKZRIFJHSA-N 1 3 320.452 3.591 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000423403112 1027536622 /nfs/dbraw/zinc/53/66/22/1027536622.db2.gz YEMHKBMVXJAZKD-MBOZVWFJSA-N 1 3 308.469 3.937 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000423409717 1027539675 /nfs/dbraw/zinc/53/96/75/1027539675.db2.gz ZBAIEBHTCYALDY-XPKDYRNWSA-N 1 3 312.910 3.798 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000423409717 1027539686 /nfs/dbraw/zinc/53/96/86/1027539686.db2.gz ZBAIEBHTCYALDY-XPKDYRNWSA-N 1 3 312.910 3.798 20 0 DHADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1csc(-c2ccccc2)n1 ZINC000423442123 1027543201 /nfs/dbraw/zinc/54/32/01/1027543201.db2.gz UXJPOQDVMOCRRR-UONOGXRCSA-N 1 3 303.475 3.978 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21)[C@H](C)N ZINC000423444394 1027544984 /nfs/dbraw/zinc/54/49/84/1027544984.db2.gz LSUPWSVGGGQDRL-OUCADQQQSA-N 1 3 301.459 3.513 20 0 DHADHO C[C@@H]([NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1)[C@H](C)N ZINC000423445759 1027545035 /nfs/dbraw/zinc/54/50/35/1027545035.db2.gz NIGFUAINUFSZFO-JCGVRSQUSA-N 1 3 304.384 3.574 20 0 DHADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423457051 1027553173 /nfs/dbraw/zinc/55/31/73/1027553173.db2.gz FFAHAUKHWWPGCJ-ZIAGYGMSSA-N 1 3 319.449 3.654 20 0 DHADHO Cc1cc(N)cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000423471874 1027557247 /nfs/dbraw/zinc/55/72/47/1027557247.db2.gz FOMYVSRTUKRJGG-PXNSSMCTSA-N 1 3 323.484 3.577 20 0 DHADHO Cc1cc(N)cc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000423471874 1027557260 /nfs/dbraw/zinc/55/72/60/1027557260.db2.gz FOMYVSRTUKRJGG-PXNSSMCTSA-N 1 3 323.484 3.577 20 0 DHADHO Cc1cc(N)cc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000423471874 1027557272 /nfs/dbraw/zinc/55/72/72/1027557272.db2.gz FOMYVSRTUKRJGG-PXNSSMCTSA-N 1 3 323.484 3.577 20 0 DHADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1csc(-c2ccccc2)n1 ZINC000423476197 1027561814 /nfs/dbraw/zinc/56/18/14/1027561814.db2.gz IPINLEAXKPTKRD-GDBMZVCRSA-N 1 3 315.486 3.993 20 0 DHADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423483436 1027570833 /nfs/dbraw/zinc/57/08/33/1027570833.db2.gz XUPQHKVQESNDOR-CMPLNLGQSA-N 1 3 306.397 3.729 20 0 DHADHO C[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)[C@@H]1C[C@H]1c1ccccc1 ZINC000423531353 1027577153 /nfs/dbraw/zinc/57/71/53/1027577153.db2.gz SNNHPWABSSWIIS-HZFDKLMDSA-N 1 3 324.512 3.922 20 0 DHADHO CC(C)n1cc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000423513908 1027578451 /nfs/dbraw/zinc/57/84/51/1027578451.db2.gz VSVURWCYKIDVJJ-CRAIPNDOSA-N 1 3 300.450 3.595 20 0 DHADHO CC(C)n1cc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000423513911 1027578616 /nfs/dbraw/zinc/57/86/16/1027578616.db2.gz VSVURWCYKIDVJJ-YJBOKZPZSA-N 1 3 300.450 3.595 20 0 DHADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562775602 1027600527 /nfs/dbraw/zinc/60/05/27/1027600527.db2.gz VBXSWFXHQJCNRU-GOEBONIOSA-N 1 3 312.379 3.622 20 0 DHADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562775602 1027600534 /nfs/dbraw/zinc/60/05/34/1027600534.db2.gz VBXSWFXHQJCNRU-GOEBONIOSA-N 1 3 312.379 3.622 20 0 DHADHO Cl/C=C\CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000813370806 1027623079 /nfs/dbraw/zinc/62/30/79/1027623079.db2.gz LHDZUBZPECZINB-WMZJFQQLSA-N 1 3 304.865 3.727 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365821475 1028010691 /nfs/dbraw/zinc/01/06/91/1028010691.db2.gz KWDYKZQATRBVOQ-KGLIPLIRSA-N 1 3 310.844 3.628 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365821475 1028010706 /nfs/dbraw/zinc/01/07/06/1028010706.db2.gz KWDYKZQATRBVOQ-KGLIPLIRSA-N 1 3 310.844 3.628 20 0 DHADHO Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000367634873 1028219210 /nfs/dbraw/zinc/21/92/10/1028219210.db2.gz PGQVMHRLQOGPLV-CXAGYDPISA-N 1 3 320.864 3.628 20 0 DHADHO C[C@@H]([NH2+]C1CC(c2ccccn2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000368031650 1028283254 /nfs/dbraw/zinc/28/32/54/1028283254.db2.gz VLWJWGORELGMLV-MRLCAUJQSA-N 1 3 313.489 3.570 20 0 DHADHO FCCCCN1CCCC2(CCC[N@H+](CCCCF)C2)C1 ZINC000368070545 1028290417 /nfs/dbraw/zinc/29/04/17/1028290417.db2.gz JXEOQMSDBVPHCW-UHFFFAOYSA-N 1 3 302.453 3.664 20 0 DHADHO FCCCCN1CCCC2(CCC[N@@H+](CCCCF)C2)C1 ZINC000368070545 1028290428 /nfs/dbraw/zinc/29/04/28/1028290428.db2.gz JXEOQMSDBVPHCW-UHFFFAOYSA-N 1 3 302.453 3.664 20 0 DHADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H]3CCCC34CCC4)C2)cc1 ZINC000449120115 1028373022 /nfs/dbraw/zinc/37/30/22/1028373022.db2.gz BQZMDJCRBWTSGI-VQTJNVASSA-N 1 3 312.501 3.863 20 0 DHADHO C/C(=C/c1ccccc1OC(F)F)CN[C@@H](C)CC[NH+](C)C ZINC000564415336 1028434809 /nfs/dbraw/zinc/43/48/09/1028434809.db2.gz NLIWUKAPFZFAOQ-FZDNWWAKSA-N 1 3 312.404 3.621 20 0 DHADHO COC1(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCCC1 ZINC000449345784 1028559692 /nfs/dbraw/zinc/55/96/92/1028559692.db2.gz JUZICOXPBFRDHU-WMZOPIPTSA-N 1 3 308.510 3.578 20 0 DHADHO CC(F)(F)CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000449348193 1028560960 /nfs/dbraw/zinc/56/09/60/1028560960.db2.gz BNJKUYPILCFBAN-FGTMMUONSA-N 1 3 322.443 3.922 20 0 DHADHO CCN(CC)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000565227005 1028561147 /nfs/dbraw/zinc/56/11/47/1028561147.db2.gz SWPBRYJDHYTVDG-RVKKMQEKSA-N 1 3 323.912 3.582 20 0 DHADHO CC(F)(F)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449353956 1028586925 /nfs/dbraw/zinc/58/69/25/1028586925.db2.gz IQLHBMJCFPKRRZ-OKZBNKHCSA-N 1 3 322.443 3.922 20 0 DHADHO COCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(C2CCC(C)CC2)CC1 ZINC000370305448 1028588299 /nfs/dbraw/zinc/58/82/99/1028588299.db2.gz KQNLETOVYYOZRM-CAOKTKFFSA-N 1 3 322.537 3.824 20 0 DHADHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC000449401908 1028620504 /nfs/dbraw/zinc/62/05/04/1028620504.db2.gz JCVZWILPFDOADZ-SEJPIABJSA-N 1 3 321.468 3.675 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@H]2C[C@]2(C)c2cccs2)CC1 ZINC000370623852 1028625672 /nfs/dbraw/zinc/62/56/72/1028625672.db2.gz CQURXZDHFRYXKH-KDOFPFPSSA-N 1 3 306.519 3.878 20 0 DHADHO CC[N@@H+]1CC[C@H](NCc2ccccc2-c2ccncc2)[C@@H](C)C1 ZINC000371207741 1028677481 /nfs/dbraw/zinc/67/74/81/1028677481.db2.gz FNOBYAKPRHFZNW-JXFKEZNVSA-N 1 3 309.457 3.569 20 0 DHADHO CC[N@H+]1CC[C@H](NCc2ccccc2-c2ccncc2)[C@@H](C)C1 ZINC000371207741 1028677490 /nfs/dbraw/zinc/67/74/90/1028677490.db2.gz FNOBYAKPRHFZNW-JXFKEZNVSA-N 1 3 309.457 3.569 20 0 DHADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cccc2ccccc21 ZINC000371299716 1028686753 /nfs/dbraw/zinc/68/67/53/1028686753.db2.gz JTWLPKKHKQDDFJ-HLAWJBBLSA-N 1 3 324.468 3.523 20 0 DHADHO COCCCCC[N@@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000372217196 1028827161 /nfs/dbraw/zinc/82/71/61/1028827161.db2.gz KTTYFFSBSDEWBR-FQEVSTJZSA-N 1 3 318.505 3.790 20 0 DHADHO COCCCCC[N@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000372217196 1028827178 /nfs/dbraw/zinc/82/71/78/1028827178.db2.gz KTTYFFSBSDEWBR-FQEVSTJZSA-N 1 3 318.505 3.790 20 0 DHADHO CC1CC[NH+](C[C@H]2CCCN(C[C@]3(C)CCCS3)C2)CC1 ZINC000628156695 1028910431 /nfs/dbraw/zinc/91/04/31/1028910431.db2.gz ZHFCZRIFZNSANH-MSOLQXFVSA-N 1 3 310.551 3.716 20 0 DHADHO c1cc2cc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2[nH]1 ZINC000628190977 1028929998 /nfs/dbraw/zinc/92/99/98/1028929998.db2.gz WJEOUWJSNNAALO-FXAWDEMLSA-N 1 3 309.457 3.617 20 0 DHADHO c1cc2cc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2[nH]1 ZINC000628190977 1028930004 /nfs/dbraw/zinc/93/00/04/1028930004.db2.gz WJEOUWJSNNAALO-FXAWDEMLSA-N 1 3 309.457 3.617 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000568131962 1029011047 /nfs/dbraw/zinc/01/10/47/1029011047.db2.gz ZWMJBWZANFPISJ-HNJRGHQBSA-N 1 3 300.490 3.889 20 0 DHADHO CCc1nc(C)c([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)s1 ZINC000373524623 1029069127 /nfs/dbraw/zinc/06/91/27/1029069127.db2.gz TZNCMMMJUNTTHS-LRVUVFPRSA-N 1 3 307.507 3.681 20 0 DHADHO N[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)c2ccccc21 ZINC000817895609 1029268023 /nfs/dbraw/zinc/26/80/23/1029268023.db2.gz ZJSBZRYVJXCZIR-NJDAHSKKSA-N 1 3 322.452 3.889 20 0 DHADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccccc1OC(F)F ZINC000817946811 1029289426 /nfs/dbraw/zinc/28/94/26/1029289426.db2.gz FGXGXXGOXAXFLG-CYBMUJFWSA-N 1 3 320.383 3.640 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Oc2cccnc2)cc1 ZINC000570227212 1029334008 /nfs/dbraw/zinc/33/40/08/1029334008.db2.gz ZFZCIAYFCHGLKI-USXIJHARSA-N 1 3 311.429 3.794 20 0 DHADHO N[C@@H](CCC[NH3+])Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001170900227 1029367716 /nfs/dbraw/zinc/36/77/16/1029367716.db2.gz JQIIMCUNZOYQME-MRXNPFEDSA-N 1 3 323.362 3.808 20 0 DHADHO [NH3+]C[C@H]1CN(CCC2CCCCCC2)CC[C@@H]1C(F)(F)F ZINC000629561043 1029371293 /nfs/dbraw/zinc/37/12/93/1029371293.db2.gz GMTNMNFFDZOFOV-GJZGRUSLSA-N 1 3 306.416 3.806 20 0 DHADHO Cc1cccc(C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000450740309 1029630972 /nfs/dbraw/zinc/63/09/72/1029630972.db2.gz USRGIODLCNOTFB-IRXDYDNUSA-N 1 3 323.484 3.636 20 0 DHADHO CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000468983331 1029987069 /nfs/dbraw/zinc/98/70/69/1029987069.db2.gz KSWTXTYWINIORQ-SJLPKXTDSA-N 1 3 304.478 3.604 20 0 DHADHO C[C@H](O)c1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924760337 1030179781 /nfs/dbraw/zinc/17/97/81/1030179781.db2.gz BDELPKNMHFVQOD-HOTGVXAUSA-N 1 3 312.457 3.652 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000924960658 1030233755 /nfs/dbraw/zinc/23/37/55/1030233755.db2.gz QOCAEKWIJZATJI-HBFSDRIKSA-N 1 3 315.505 3.503 20 0 DHADHO Clc1ccnc2c1CC[C@@H]2NCCCCC[NH+]1CCCCC1 ZINC000925050681 1030256704 /nfs/dbraw/zinc/25/67/04/1030256704.db2.gz UGFHLGKOLFFSME-KRWDZBQOSA-N 1 3 321.896 3.968 20 0 DHADHO CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(OC)c1 ZINC000358011114 1030279818 /nfs/dbraw/zinc/27/98/18/1030279818.db2.gz FFEOEETUXSPFLN-GOSISDBHSA-N 1 3 304.478 3.999 20 0 DHADHO COCCSc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000358110685 1030330689 /nfs/dbraw/zinc/33/06/89/1030330689.db2.gz MYNHKEDTTUWCPG-ZOBUZTSGSA-N 1 3 322.518 3.558 20 0 DHADHO COCCSc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000358110685 1030330707 /nfs/dbraw/zinc/33/07/07/1030330707.db2.gz MYNHKEDTTUWCPG-ZOBUZTSGSA-N 1 3 322.518 3.558 20 0 DHADHO [NH3+]CCC[C@H](NCc1ccccc1OC(F)F)c1ccccc1 ZINC000925518133 1030383349 /nfs/dbraw/zinc/38/33/49/1030383349.db2.gz XNEKAWLGGWZSCH-INIZCTEOSA-N 1 3 320.383 3.858 20 0 DHADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925536711 1030391793 /nfs/dbraw/zinc/39/17/93/1030391793.db2.gz QPIYARMKYNPYTN-QKPAOTATSA-N 1 3 318.427 3.865 20 0 DHADHO CCC1([NH3+])CCN([C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000925757911 1030485609 /nfs/dbraw/zinc/48/56/09/1030485609.db2.gz WGGMQSHIJWLZCK-ZIAGYGMSSA-N 1 3 317.502 3.992 20 0 DHADHO FC1(F)CCNC[C@@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000925786967 1030499038 /nfs/dbraw/zinc/49/90/38/1030499038.db2.gz YHIZHFBHISCNKY-UKRRQHHQSA-N 1 3 314.807 3.626 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000358722926 1030599112 /nfs/dbraw/zinc/59/91/12/1030599112.db2.gz LAHJBKJVLOEUFE-UHFFFAOYSA-N 1 3 317.452 3.702 20 0 DHADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H]1CCCN(C2CCC2)C1 ZINC000926119574 1030626104 /nfs/dbraw/zinc/62/61/04/1030626104.db2.gz MOFZAZVHIFUWLH-LSLVUIDQSA-N 1 3 308.535 3.656 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2ccccc2)[C@H](C)C1 ZINC000247078579 1030677231 /nfs/dbraw/zinc/67/72/31/1030677231.db2.gz QRMZWDZZGZSYIR-RLLQIKCJSA-N 1 3 318.505 3.864 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2ccccc2)[C@H](C)C1 ZINC000247078579 1030677238 /nfs/dbraw/zinc/67/72/38/1030677238.db2.gz QRMZWDZZGZSYIR-RLLQIKCJSA-N 1 3 318.505 3.864 20 0 DHADHO CC(C)[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000359013490 1030728038 /nfs/dbraw/zinc/72/80/38/1030728038.db2.gz IQHHIDVERBFUGZ-CTNGQTDRSA-N 1 3 323.484 3.890 20 0 DHADHO CC(C)[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000359013490 1030728055 /nfs/dbraw/zinc/72/80/55/1030728055.db2.gz IQHHIDVERBFUGZ-CTNGQTDRSA-N 1 3 323.484 3.890 20 0 DHADHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccncc1 ZINC000248742879 1030763383 /nfs/dbraw/zinc/76/33/83/1030763383.db2.gz AKWRFQIGZPVRGE-DVWBAYGPSA-N 1 3 321.468 3.928 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000926518362 1030779098 /nfs/dbraw/zinc/77/90/98/1030779098.db2.gz HAKZQGNVWUMAQB-AWEZNQCLSA-N 1 3 307.309 3.670 20 0 DHADHO CCC[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ncccc1Cl ZINC000926574099 1030806733 /nfs/dbraw/zinc/80/67/33/1030806733.db2.gz RZFMFLFZPLMHFM-HOCLYGCPSA-N 1 3 309.885 3.898 20 0 DHADHO CCC[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ncccc1Cl ZINC000926574099 1030806751 /nfs/dbraw/zinc/80/67/51/1030806751.db2.gz RZFMFLFZPLMHFM-HOCLYGCPSA-N 1 3 309.885 3.898 20 0 DHADHO c1cc(CN2CCC(C[NH2+]C3CC4(C3)CCCC4)CC2)ccn1 ZINC000926695302 1030866654 /nfs/dbraw/zinc/86/66/54/1030866654.db2.gz ZQHOJKKIYJMPDY-UHFFFAOYSA-N 1 3 313.489 3.606 20 0 DHADHO CC(C)[N@@H+](CC[C@@H](C)CCCC(C)(C)O)[C@@H]1CCCNCC1 ZINC001206584349 1030873690 /nfs/dbraw/zinc/87/36/90/1030873690.db2.gz YNYRDKIWKXJVPA-ZWKOTPCHSA-N 1 3 312.542 3.806 20 0 DHADHO CC(C)[N@H+](CC[C@@H](C)CCCC(C)(C)O)[C@@H]1CCCNCC1 ZINC001206584349 1030873710 /nfs/dbraw/zinc/87/37/10/1030873710.db2.gz YNYRDKIWKXJVPA-ZWKOTPCHSA-N 1 3 312.542 3.806 20 0 DHADHO CC(C)CCN1CCC([NH2+]Cc2ccc3cccnc3c2)CC1 ZINC000926782298 1030925447 /nfs/dbraw/zinc/92/54/47/1030925447.db2.gz XTCNOVJUQTXJNP-UHFFFAOYSA-N 1 3 311.473 3.835 20 0 DHADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000359380794 1030937886 /nfs/dbraw/zinc/93/78/86/1030937886.db2.gz RMYPTMDWMUGPRA-OAHLLOKOSA-N 1 3 310.869 3.731 20 0 DHADHO COc1ccnc([C@H](C)NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000926890599 1030969944 /nfs/dbraw/zinc/96/99/44/1030969944.db2.gz WBJCSUPPAFGMIF-LYGPFTKASA-N 1 3 317.477 3.538 20 0 DHADHO C[C@@H](NC1CCC(C)([NH+]2CCC2)CC1)c1cc(O)ccc1F ZINC000927036883 1031045851 /nfs/dbraw/zinc/04/58/51/1031045851.db2.gz KEWWNAGXNPYPMR-WRSVWVKZSA-N 1 3 306.425 3.589 20 0 DHADHO C[C@H](NC1CCC(C)([NH+]2CCC2)CC1)c1cccnc1Cl ZINC000927037823 1031047342 /nfs/dbraw/zinc/04/73/42/1031047342.db2.gz LASCZPCKURNYKM-CBCUQQMYSA-N 1 3 307.869 3.793 20 0 DHADHO Fc1cccc(CC[N@H+](C[C@H]2CCCNC2)C2CCCC2)c1 ZINC000262017368 1031090489 /nfs/dbraw/zinc/09/04/89/1031090489.db2.gz VUPAUQKNFWDDBK-KRWDZBQOSA-N 1 3 304.453 3.612 20 0 DHADHO Fc1cccc(CC[N@@H+](C[C@H]2CCCNC2)C2CCCC2)c1 ZINC000262017368 1031090501 /nfs/dbraw/zinc/09/05/01/1031090501.db2.gz VUPAUQKNFWDDBK-KRWDZBQOSA-N 1 3 304.453 3.612 20 0 DHADHO CC(C)Cc1ncc(CN2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000536652012 1031357762 /nfs/dbraw/zinc/35/77/62/1031357762.db2.gz JBHZVDDVYCENEA-UHFFFAOYSA-N 1 3 323.550 3.894 20 0 DHADHO CC(C)Cc1ncc(CN2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000536652012 1031357775 /nfs/dbraw/zinc/35/77/75/1031357775.db2.gz JBHZVDDVYCENEA-UHFFFAOYSA-N 1 3 323.550 3.894 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCSc2c(F)cccc21 ZINC000844926432 1031403141 /nfs/dbraw/zinc/40/31/41/1031403141.db2.gz UIECQUATATWCGW-QGZVFWFLSA-N 1 3 316.445 3.872 20 0 DHADHO CC[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000872027075 1031413036 /nfs/dbraw/zinc/41/30/36/1031413036.db2.gz BUBMVQRNUCJPJE-AZUAARDMSA-N 1 3 322.537 3.826 20 0 DHADHO COc1ccc([C@H](NC[C@H](C)C[NH+]2CCCC2)C(C)C)cc1 ZINC000536949078 1031481368 /nfs/dbraw/zinc/48/13/68/1031481368.db2.gz LNEADWRKLZFDSU-QFBILLFUSA-N 1 3 304.478 3.714 20 0 DHADHO CSc1ccc([C@@H](C)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000423192515 1031503810 /nfs/dbraw/zinc/50/38/10/1031503810.db2.gz VPRFDPMOOIPKTQ-OAHLLOKOSA-N 1 3 315.486 3.634 20 0 DHADHO CC(C)OC1(CNC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000872116067 1031508828 /nfs/dbraw/zinc/50/88/28/1031508828.db2.gz INWMDQHNFJZWRL-UHFFFAOYSA-N 1 3 308.510 3.721 20 0 DHADHO CC(C)OC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000872116067 1031508835 /nfs/dbraw/zinc/50/88/35/1031508835.db2.gz INWMDQHNFJZWRL-UHFFFAOYSA-N 1 3 308.510 3.721 20 0 DHADHO C[NH+]1CCC2(CCN(Cc3c[nH]c4c3cccc4F)CC2)CC1 ZINC001137058920 1031590992 /nfs/dbraw/zinc/59/09/92/1031590992.db2.gz FGCDHEGSTVQVLF-UHFFFAOYSA-N 1 3 315.436 3.615 20 0 DHADHO C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(-c4cccnc4)c3)C2)C1 ZINC000293737455 1031595734 /nfs/dbraw/zinc/59/57/34/1031595734.db2.gz VKXARGSCIHRANV-OAQYLSRUSA-N 1 3 321.468 3.666 20 0 DHADHO C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(-c4cccnc4)c3)C2)C1 ZINC000293737455 1031595745 /nfs/dbraw/zinc/59/57/45/1031595745.db2.gz VKXARGSCIHRANV-OAQYLSRUSA-N 1 3 321.468 3.666 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000929998103 1031671262 /nfs/dbraw/zinc/67/12/62/1031671262.db2.gz BRQSVPYWXDGXID-MAUKXSAKSA-N 1 3 313.445 3.504 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000929998103 1031671272 /nfs/dbraw/zinc/67/12/72/1031671272.db2.gz BRQSVPYWXDGXID-MAUKXSAKSA-N 1 3 313.445 3.504 20 0 DHADHO CCN(Cc1cc2c(s1)CC[NH2+]C2)[C@H](C)c1cccc(O)c1 ZINC000873207441 1031759822 /nfs/dbraw/zinc/75/98/22/1031759822.db2.gz CAEGJFSZXUAMFB-CYBMUJFWSA-N 1 3 316.470 3.683 20 0 DHADHO C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208226 1031760159 /nfs/dbraw/zinc/76/01/59/1031760159.db2.gz FLILBNODFQUZQD-JQWIXIFHSA-N 1 3 318.408 3.557 20 0 DHADHO CC(C)n1cc(CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232258 1031767627 /nfs/dbraw/zinc/76/76/27/1031767627.db2.gz NVRJJIZYHOWWNE-APWZRJJASA-N 1 3 318.509 3.584 20 0 DHADHO C[C@H]1CC2(CC([NH2+]C3CCN([C@@H]4CCC[C@@H](C)C4)CC3)C2)CO1 ZINC000897779525 1031831769 /nfs/dbraw/zinc/83/17/69/1031831769.db2.gz QSPBWAPVKIKUNU-NAODFFGXSA-N 1 3 320.521 3.577 20 0 DHADHO CCCCN1CCC([N@H+](C)Cc2ccc3scnc3c2)CC1 ZINC001144744643 1031930692 /nfs/dbraw/zinc/93/06/92/1031930692.db2.gz CMLGVXAIXNZVNR-UHFFFAOYSA-N 1 3 317.502 3.993 20 0 DHADHO CCCCN1CCC([N@@H+](C)Cc2ccc3scnc3c2)CC1 ZINC001144744643 1031930699 /nfs/dbraw/zinc/93/06/99/1031930699.db2.gz CMLGVXAIXNZVNR-UHFFFAOYSA-N 1 3 317.502 3.993 20 0 DHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172709172 1033343558 /nfs/dbraw/zinc/34/35/58/1033343558.db2.gz UCJPBCLQTHBCIM-SPYBWZPUSA-N 1 3 320.908 3.765 20 0 DHADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001172859407 1033429099 /nfs/dbraw/zinc/42/90/99/1033429099.db2.gz JRDFJGYNWZGFQA-DAXOMENPSA-N 1 3 312.860 3.873 20 0 DHADHO CC(C)CN(Cc1csc(C2CC2)n1)CC1CC[NH+](C)CC1 ZINC000877767399 1033439141 /nfs/dbraw/zinc/43/91/41/1033439141.db2.gz HIYIHDQXEMRVCW-UHFFFAOYSA-N 1 3 321.534 3.820 20 0 DHADHO CC(C)CN(Cc1ccncc1Cl)CC1CC[NH+](C)CC1 ZINC000877767563 1033440004 /nfs/dbraw/zinc/44/00/04/1033440004.db2.gz NTONIRHWCFERQA-UHFFFAOYSA-N 1 3 309.885 3.535 20 0 DHADHO CC1(C)CC(N)CC(C)(C)[NH+]1C1CCC2(CCOCC2)CC1 ZINC001173041193 1033507719 /nfs/dbraw/zinc/50/77/19/1033507719.db2.gz UAEFCAQYPIMUNO-UHFFFAOYSA-N 1 3 308.510 3.706 20 0 DHADHO CC(C)[C@@H](N[C@H](C)c1cccc(C[NH+](C)C)c1)c1cnn(C)c1 ZINC000927071812 1033525976 /nfs/dbraw/zinc/52/59/76/1033525976.db2.gz VDRXRNYKEIENQI-DNVCBOLYSA-N 1 3 314.477 3.530 20 0 DHADHO CC[NH+](CC)C1CCC(NCc2c(F)ccc(F)c2F)CC1 ZINC001173104228 1033542702 /nfs/dbraw/zinc/54/27/02/1033542702.db2.gz FBXYTAWENZTUGV-UHFFFAOYSA-N 1 3 314.395 3.847 20 0 DHADHO COCCC[NH+]1CCC(N[C@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000153514634 1033581919 /nfs/dbraw/zinc/58/19/19/1033581919.db2.gz ZLRCXPKTCPDPAQ-APWZRJJASA-N 1 3 316.489 3.634 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)[C@@H]1CCCN(C2CCC2)C1 ZINC000878411374 1033694135 /nfs/dbraw/zinc/69/41/35/1033694135.db2.gz IPVSSHGZDDXBPZ-JZXOWHBKSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](NC[C@@H]1CCCC(C)(C)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411374 1033694139 /nfs/dbraw/zinc/69/41/39/1033694139.db2.gz IPVSSHGZDDXBPZ-JZXOWHBKSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](NC[C@@H]1CCCC(C)(C)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411374 1033694146 /nfs/dbraw/zinc/69/41/46/1033694146.db2.gz IPVSSHGZDDXBPZ-JZXOWHBKSA-N 1 3 308.510 3.577 20 0 DHADHO Cc1ccc2cc(CN3CCC(C[NH+]4CCCC4)CC3)[nH]c2c1 ZINC000667501863 1033784787 /nfs/dbraw/zinc/78/47/87/1033784787.db2.gz NGDRPJROOQRQGL-UHFFFAOYSA-N 1 3 311.473 3.784 20 0 DHADHO c1c2ccncc2sc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000667501795 1033785646 /nfs/dbraw/zinc/78/56/46/1033785646.db2.gz LITRWFQOCFTOGB-UHFFFAOYSA-N 1 3 315.486 3.604 20 0 DHADHO C[C@H](CNCC(C)(C)C[N@H+](C)Cc1ccccc1)C(F)(F)F ZINC000479586835 1033826995 /nfs/dbraw/zinc/82/69/95/1033826995.db2.gz DLJKFNJNZYCLLI-CQSZACIVSA-N 1 3 316.411 3.933 20 0 DHADHO C[C@H](CNCC(C)(C)C[N@@H+](C)Cc1ccccc1)C(F)(F)F ZINC000479586835 1033827003 /nfs/dbraw/zinc/82/70/03/1033827003.db2.gz DLJKFNJNZYCLLI-CQSZACIVSA-N 1 3 316.411 3.933 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CCc2ccc(Cl)cc21 ZINC000863546589 1034127270 /nfs/dbraw/zinc/12/72/70/1034127270.db2.gz GLXQOPXJIQFIHY-XIKOKIGWSA-N 1 3 315.848 3.840 20 0 DHADHO CCC1([NH+]2CCCCC2)CCN(C[C@H]2CCO[C@H](C)C2)CC1 ZINC000880255671 1034266365 /nfs/dbraw/zinc/26/63/65/1034266365.db2.gz UKWGABGSWDTGEE-MSOLQXFVSA-N 1 3 308.510 3.532 20 0 DHADHO CC1CCN(CCC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000554858782 1034380098 /nfs/dbraw/zinc/38/00/98/1034380098.db2.gz WWZVGQXXHIKBKI-UHFFFAOYSA-N 1 3 322.443 3.922 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000554888607 1034394645 /nfs/dbraw/zinc/39/46/45/1034394645.db2.gz QUFOOAKBWORUMT-CRAIPNDOSA-N 1 3 316.489 3.562 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000554888607 1034394657 /nfs/dbraw/zinc/39/46/57/1034394657.db2.gz QUFOOAKBWORUMT-CRAIPNDOSA-N 1 3 316.489 3.562 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCc2cccnc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000380066700 1034446018 /nfs/dbraw/zinc/44/60/18/1034446018.db2.gz POBKDWKLSSFWEL-FFZOFVMBSA-N 1 3 321.468 3.569 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000481032216 1034555566 /nfs/dbraw/zinc/55/55/66/1034555566.db2.gz DLXWKUSJZXMUMO-QMTMVMCOSA-N 1 3 304.453 3.771 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000481032216 1034555574 /nfs/dbraw/zinc/55/55/74/1034555574.db2.gz DLXWKUSJZXMUMO-QMTMVMCOSA-N 1 3 304.453 3.771 20 0 DHADHO CCc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c2ccccc2n1 ZINC000555206001 1034560012 /nfs/dbraw/zinc/56/00/12/1034560012.db2.gz RJQGNOZUJMOQTI-FQEVSTJZSA-N 1 3 309.457 3.719 20 0 DHADHO CCc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c2ccccc2n1 ZINC000555206001 1034560016 /nfs/dbraw/zinc/56/00/16/1034560016.db2.gz RJQGNOZUJMOQTI-FQEVSTJZSA-N 1 3 309.457 3.719 20 0 DHADHO C[NH+](C)CCOc1cccc(CNCc2cc(Cl)cs2)c1 ZINC000193010154 1034826186 /nfs/dbraw/zinc/82/61/86/1034826186.db2.gz ZCINSBDRYQBNOR-UHFFFAOYSA-N 1 3 324.877 3.632 20 0 DHADHO C[NH+](C)Cc1cc(CNCc2sccc2Cl)ccc1F ZINC000193106996 1034832280 /nfs/dbraw/zinc/83/22/80/1034832280.db2.gz NKCZPYMRLXGLQX-UHFFFAOYSA-N 1 3 312.841 3.892 20 0 DHADHO CN(C)Cc1cc(C[NH2+]Cc2sccc2Cl)ccc1F ZINC000193106996 1034832287 /nfs/dbraw/zinc/83/22/87/1034832287.db2.gz NKCZPYMRLXGLQX-UHFFFAOYSA-N 1 3 312.841 3.892 20 0 DHADHO Cc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)cc(F)c1F ZINC001143610214 1034870182 /nfs/dbraw/zinc/87/01/82/1034870182.db2.gz STWPLHJPFXCRBJ-UHFFFAOYSA-N 1 3 308.416 3.581 20 0 DHADHO COc1ccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000556037181 1035023779 /nfs/dbraw/zinc/02/37/79/1035023779.db2.gz FJBNTYCYTJDJAS-ICSRJNTNSA-N 1 3 310.441 3.620 20 0 DHADHO COc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000556037181 1035023788 /nfs/dbraw/zinc/02/37/88/1035023788.db2.gz FJBNTYCYTJDJAS-ICSRJNTNSA-N 1 3 310.441 3.620 20 0 DHADHO C[C@H](Cc1ccccc1)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000482014526 1035044079 /nfs/dbraw/zinc/04/40/79/1035044079.db2.gz GRUILQNJTONWJE-XLIONFOSSA-N 1 3 300.490 3.529 20 0 DHADHO C[C@H](Cc1ccccc1)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000482014526 1035044090 /nfs/dbraw/zinc/04/40/90/1035044090.db2.gz GRUILQNJTONWJE-XLIONFOSSA-N 1 3 300.490 3.529 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000482062195 1035051713 /nfs/dbraw/zinc/05/17/13/1035051713.db2.gz QWYIBGDTWQXZRX-RLADLGENSA-N 1 3 324.871 3.986 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000482062195 1035051724 /nfs/dbraw/zinc/05/17/24/1035051724.db2.gz QWYIBGDTWQXZRX-RLADLGENSA-N 1 3 324.871 3.986 20 0 DHADHO CCN1CCN(c2ccc(Nc3cc[nH+]c(C4CC4)c3)cc2)CC1 ZINC001175781060 1035119588 /nfs/dbraw/zinc/11/95/88/1035119588.db2.gz DVWVMLDKUGTJPZ-UHFFFAOYSA-N 1 3 322.456 3.845 20 0 DHADHO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1OC ZINC000162306243 1035233880 /nfs/dbraw/zinc/23/38/80/1035233880.db2.gz OSQGYVZNZVYMRJ-MRXNPFEDSA-N 1 3 320.477 3.621 20 0 DHADHO CCCOc1ccc(C(C)(C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000483277957 1035250342 /nfs/dbraw/zinc/25/03/42/1035250342.db2.gz ASRPREFOGIPWFM-QGZVFWFLSA-N 1 3 304.478 3.784 20 0 DHADHO COC1(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCCC1 ZINC000483299431 1035254908 /nfs/dbraw/zinc/25/49/08/1035254908.db2.gz UYCNRIFYFPMGPL-ZWKOTPCHSA-N 1 3 308.510 3.532 20 0 DHADHO COC1(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCCC1 ZINC000483299431 1035254910 /nfs/dbraw/zinc/25/49/10/1035254910.db2.gz UYCNRIFYFPMGPL-ZWKOTPCHSA-N 1 3 308.510 3.532 20 0 DHADHO COC1(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000483299652 1035254964 /nfs/dbraw/zinc/25/49/64/1035254964.db2.gz SQGVPEPVWZXQKE-SFHVURJKSA-N 1 3 308.510 3.534 20 0 DHADHO C[C@@]1(C[NH3+])CCCN(Cc2cccc(Cl)c2Cl)CC1 ZINC001206297361 1035358183 /nfs/dbraw/zinc/35/81/83/1035358183.db2.gz XXHBZAMEYXCEHF-OAHLLOKOSA-N 1 3 301.261 3.944 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)CN1CCCCC1 ZINC001177416589 1035369854 /nfs/dbraw/zinc/36/98/54/1035369854.db2.gz TUZCKWHBWPCIPU-MISYRCLQSA-N 1 3 322.537 3.683 20 0 DHADHO C[C@@]1(C[NH3+])CCCN(Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001206304227 1035373156 /nfs/dbraw/zinc/37/31/56/1035373156.db2.gz HUPVLQAHGUNHIT-OAHLLOKOSA-N 1 3 318.358 3.795 20 0 DHADHO C[C@]1(C[NH3+])CCCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001206304964 1035375717 /nfs/dbraw/zinc/37/57/17/1035375717.db2.gz SEEPGRBDBYZXSS-HNNXBMFYSA-N 1 3 318.358 3.795 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2cccc(COC)c2)c1 ZINC001177737593 1035390650 /nfs/dbraw/zinc/39/06/50/1035390650.db2.gz SVMGATUBFZKQOI-UHFFFAOYSA-N 1 3 312.457 3.575 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2cccc(COC)c2)c1 ZINC001177737593 1035390653 /nfs/dbraw/zinc/39/06/53/1035390653.db2.gz SVMGATUBFZKQOI-UHFFFAOYSA-N 1 3 312.457 3.575 20 0 DHADHO Fc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)ccc1C(F)F ZINC000904299540 1035397075 /nfs/dbraw/zinc/39/70/75/1035397075.db2.gz HDSYWHBETVFABL-MRXNPFEDSA-N 1 3 312.379 3.727 20 0 DHADHO CC(C)(C)CC[C@@H](N)C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000904360650 1035403543 /nfs/dbraw/zinc/40/35/43/1035403543.db2.gz NJGGNVUFJLCZPE-MOPGFXCFSA-N 1 3 314.473 3.616 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cccs1 ZINC001177981829 1035405458 /nfs/dbraw/zinc/40/54/58/1035405458.db2.gz SATQOAKFCFXZSJ-MNZLEMJZSA-N 1 3 314.498 3.994 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cccs1 ZINC001177981829 1035405460 /nfs/dbraw/zinc/40/54/60/1035405460.db2.gz SATQOAKFCFXZSJ-MNZLEMJZSA-N 1 3 314.498 3.994 20 0 DHADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000195139722 1035416220 /nfs/dbraw/zinc/41/62/20/1035416220.db2.gz ITUNUICBRXEJTE-NVXWUHKLSA-N 1 3 300.471 3.921 20 0 DHADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000195139722 1035416223 /nfs/dbraw/zinc/41/62/23/1035416223.db2.gz ITUNUICBRXEJTE-NVXWUHKLSA-N 1 3 300.471 3.921 20 0 DHADHO CO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000494517269 1035604544 /nfs/dbraw/zinc/60/45/44/1035604544.db2.gz ZAFQZUZFOUXDIV-QXCFHYIPSA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@@H]1CCCC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000494517269 1035604549 /nfs/dbraw/zinc/60/45/49/1035604549.db2.gz ZAFQZUZFOUXDIV-QXCFHYIPSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H]1CCN(Cc2csc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205637847 1035674811 /nfs/dbraw/zinc/67/48/11/1035674811.db2.gz JLPAKPHSALYNEA-JQWIXIFHSA-N 1 3 306.397 3.574 20 0 DHADHO COc1ccc(C2CCC([NH2+]CC[C@H](C)N(C)C)CC2)cc1 ZINC001183104630 1036522218 /nfs/dbraw/zinc/52/22/18/1036522218.db2.gz VZZKMQDACCZUKA-HJOIGYKYSA-N 1 3 304.478 3.651 20 0 DHADHO CCC1([NH+](C)C)CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC001183197384 1036539381 /nfs/dbraw/zinc/53/93/81/1036539381.db2.gz SWGHZUHCJQHJHR-KRWDZBQOSA-N 1 3 300.490 3.598 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCN(C)C(C)C)CC3 ZINC000491357328 1036557106 /nfs/dbraw/zinc/55/71/06/1036557106.db2.gz YEQUPUIQWRLCGL-INIZCTEOSA-N 1 3 313.489 3.654 20 0 DHADHO CCCC[N@H+](C[C@@H]1CCCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196545458 1036563693 /nfs/dbraw/zinc/56/36/93/1036563693.db2.gz PMNKJOVLQFZWGF-INIZCTEOSA-N 1 3 310.526 3.824 20 0 DHADHO CCCC[N@@H+](C[C@@H]1CCCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196545458 1036563710 /nfs/dbraw/zinc/56/37/10/1036563710.db2.gz PMNKJOVLQFZWGF-INIZCTEOSA-N 1 3 310.526 3.824 20 0 DHADHO CCCCCOc1ccc(CN2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205265313 1036581939 /nfs/dbraw/zinc/58/19/39/1036581939.db2.gz PTLXLARCBZNFJT-IBGZPJMESA-N 1 3 304.478 3.959 20 0 DHADHO COc1ccccc1-c1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000491589220 1036614680 /nfs/dbraw/zinc/61/46/80/1036614680.db2.gz OYQMGLVCNZSCLE-MRXNPFEDSA-N 1 3 312.457 3.650 20 0 DHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC/C=C/c2ccncc2)C1 ZINC000487332142 1036672601 /nfs/dbraw/zinc/67/26/01/1036672601.db2.gz ZCNXROARDKGUAL-ZARSWLQMSA-N 1 3 307.441 3.520 20 0 DHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC/C=C/c2ccncc2)C1 ZINC000487332142 1036672611 /nfs/dbraw/zinc/67/26/11/1036672611.db2.gz ZCNXROARDKGUAL-ZARSWLQMSA-N 1 3 307.441 3.520 20 0 DHADHO C[C@@]1([NH3+])CCCN(Cc2ccc3nc(Cl)ccc3c2)CC1 ZINC001205289119 1036736267 /nfs/dbraw/zinc/73/62/67/1036736267.db2.gz SUWMSPWTOABTQH-QGZVFWFLSA-N 1 3 303.837 3.592 20 0 DHADHO C[C@@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@@H]1CN ZINC001205297021 1036838866 /nfs/dbraw/zinc/83/88/66/1036838866.db2.gz WYWPJKCBPQQZKB-HIFRSBDPSA-N 1 3 314.395 3.555 20 0 DHADHO C[C@@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@@H]1CN ZINC001205297021 1036838891 /nfs/dbraw/zinc/83/88/91/1036838891.db2.gz WYWPJKCBPQQZKB-HIFRSBDPSA-N 1 3 314.395 3.555 20 0 DHADHO C[C@@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC001205297021 1036838907 /nfs/dbraw/zinc/83/89/07/1036838907.db2.gz WYWPJKCBPQQZKB-HIFRSBDPSA-N 1 3 314.395 3.555 20 0 DHADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000488566265 1037081624 /nfs/dbraw/zinc/08/16/24/1037081624.db2.gz HNWSIHYQEYALRQ-NRFANRHFSA-N 1 3 322.496 3.958 20 0 DHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)[C@@H]1C ZINC000309761538 1037179038 /nfs/dbraw/zinc/17/90/38/1037179038.db2.gz DTMMDIWOVIJOEQ-JYBIWHBTSA-N 1 3 300.490 3.923 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[C@@H]2CCCCO2)C1 ZINC000347433125 1037188742 /nfs/dbraw/zinc/18/87/42/1037188742.db2.gz GOBBOCSNZCCUQI-QRVBRYPASA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[C@@H]2CCCCO2)C1 ZINC000347433125 1037188752 /nfs/dbraw/zinc/18/87/52/1037188752.db2.gz GOBBOCSNZCCUQI-QRVBRYPASA-N 1 3 308.510 3.532 20 0 DHADHO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000310292520 1037227173 /nfs/dbraw/zinc/22/71/73/1037227173.db2.gz ZOEKFGVOVCHCGD-FXAWDEMLSA-N 1 3 324.468 3.695 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CCCc2c[nH]c3ccccc23)CC1 ZINC000177992261 1037286039 /nfs/dbraw/zinc/28/60/39/1037286039.db2.gz ONOBGTFXNILFRP-UHFFFAOYSA-N 1 3 313.489 3.953 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccsc1 ZINC000178620433 1037328608 /nfs/dbraw/zinc/32/86/08/1037328608.db2.gz BITCCINBMOWPIM-WMZOPIPTSA-N 1 3 314.498 3.963 20 0 DHADHO Fc1cccc(CCCN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000182803497 1037678951 /nfs/dbraw/zinc/67/89/51/1037678951.db2.gz VBKBFVMMURTWFK-IBGZPJMESA-N 1 3 304.453 3.709 20 0 DHADHO c1ccc(CCC[N@@H+]2CCCC[C@H]2CCN2CCCC2)cc1 ZINC001201663876 1037839601 /nfs/dbraw/zinc/83/96/01/1037839601.db2.gz NCOHDICJURIPBJ-FQEVSTJZSA-N 1 3 300.490 3.960 20 0 DHADHO c1ccc(CCC[N@H+]2CCCC[C@H]2CCN2CCCC2)cc1 ZINC001201663876 1037839623 /nfs/dbraw/zinc/83/96/23/1037839623.db2.gz NCOHDICJURIPBJ-FQEVSTJZSA-N 1 3 300.490 3.960 20 0 DHADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)[C@@H](C)C2 ZINC000491057819 1037899291 /nfs/dbraw/zinc/89/92/91/1037899291.db2.gz XCZRZUQKCDJBAR-ABSDTBQOSA-N 1 3 300.490 3.938 20 0 DHADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@@H+](C(C)C)C1)[C@@H](C)C2 ZINC000491057819 1037899309 /nfs/dbraw/zinc/89/93/09/1037899309.db2.gz XCZRZUQKCDJBAR-ABSDTBQOSA-N 1 3 300.490 3.938 20 0 DHADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)[C@@H](C)C2 ZINC000491057819 1037899321 /nfs/dbraw/zinc/89/93/21/1037899321.db2.gz XCZRZUQKCDJBAR-ABSDTBQOSA-N 1 3 300.490 3.938 20 0 DHADHO CN(c1ccccc1)c1ccc(CNCCC[NH+]2CCC2)cc1 ZINC001201833924 1037914730 /nfs/dbraw/zinc/91/47/30/1037914730.db2.gz XIMMRMDBZMRPPN-UHFFFAOYSA-N 1 3 309.457 3.640 20 0 DHADHO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000186833730 1037932458 /nfs/dbraw/zinc/93/24/58/1037932458.db2.gz DEGYQYOTYUGWBY-VQTJNVASSA-N 1 3 322.537 3.967 20 0 DHADHO CC(C)C[C@H]1OCCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000186833730 1037932469 /nfs/dbraw/zinc/93/24/69/1037932469.db2.gz DEGYQYOTYUGWBY-VQTJNVASSA-N 1 3 322.537 3.967 20 0 DHADHO COCCC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCCCC1 ZINC000186887345 1037937703 /nfs/dbraw/zinc/93/77/03/1037937703.db2.gz WXALCCPQKGJEHY-UHFFFAOYSA-N 1 3 310.526 3.826 20 0 DHADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CCSCC1 ZINC000187114039 1037945895 /nfs/dbraw/zinc/94/58/95/1037945895.db2.gz IFEVVXVUFGGBSO-HNNXBMFYSA-N 1 3 310.551 3.762 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)C1CCSCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000187536080 1037976299 /nfs/dbraw/zinc/97/62/99/1037976299.db2.gz GEQYQWFORAWPRC-ZMSDIMECSA-N 1 3 310.551 3.761 20 0 DHADHO CC(C)(C)CCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001202115297 1038042876 /nfs/dbraw/zinc/04/28/76/1038042876.db2.gz RLQPQDUSIKJILQ-MOPGFXCFSA-N 1 3 300.490 3.877 20 0 DHADHO CC(C)(C)CCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001202115297 1038042894 /nfs/dbraw/zinc/04/28/94/1038042894.db2.gz RLQPQDUSIKJILQ-MOPGFXCFSA-N 1 3 300.490 3.877 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2CCC2)ccc1OC ZINC000775384512 1038313432 /nfs/dbraw/zinc/31/34/32/1038313432.db2.gz TXYYIHUJMKWQDX-HNNXBMFYSA-N 1 3 304.478 3.988 20 0 DHADHO CCCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000572888864 1038511434 /nfs/dbraw/zinc/51/14/34/1038511434.db2.gz NDQOPENCSGRGIU-LPHOPBHVSA-N 1 3 304.478 3.638 20 0 DHADHO CCCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000572888864 1038511436 /nfs/dbraw/zinc/51/14/36/1038511436.db2.gz NDQOPENCSGRGIU-LPHOPBHVSA-N 1 3 304.478 3.638 20 0 DHADHO c1ccc([C@H]2CSCC[N@H+]2C2CCN(CC3CC3)CC2)cc1 ZINC001168393196 1038523672 /nfs/dbraw/zinc/52/36/72/1038523672.db2.gz ZEJHSYPBTMUTKQ-LJQANCHMSA-N 1 3 316.514 3.651 20 0 DHADHO c1ccc([C@H]2CSCC[N@@H+]2C2CCN(CC3CC3)CC2)cc1 ZINC001168393196 1038523677 /nfs/dbraw/zinc/52/36/77/1038523677.db2.gz ZEJHSYPBTMUTKQ-LJQANCHMSA-N 1 3 316.514 3.651 20 0 DHADHO c1coc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001203290002 1038556521 /nfs/dbraw/zinc/55/65/21/1038556521.db2.gz SWIVRQDWNSDVBZ-RBUKOAKNSA-N 1 3 310.441 3.624 20 0 DHADHO c1coc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001203290002 1038556525 /nfs/dbraw/zinc/55/65/25/1038556525.db2.gz SWIVRQDWNSDVBZ-RBUKOAKNSA-N 1 3 310.441 3.624 20 0 DHADHO C[C@@H]1CCN(Cc2cccc(Cl)c2Cl)CC[C@@H]1C[NH3+] ZINC001205603574 1038685419 /nfs/dbraw/zinc/68/54/19/1038685419.db2.gz QKUHREYCUBCGRS-VXGBXAGGSA-N 1 3 301.261 3.800 20 0 DHADHO NCCC[N@H+](C1CCCCC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168400089 1038751075 /nfs/dbraw/zinc/75/10/75/1038751075.db2.gz HKAPTBKMLLGENI-LJQANCHMSA-N 1 3 304.453 3.667 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168400089 1038751081 /nfs/dbraw/zinc/75/10/81/1038751081.db2.gz HKAPTBKMLLGENI-LJQANCHMSA-N 1 3 304.453 3.667 20 0 DHADHO c1ccc2c(c1)CC[N@@H+](CCCNc1ccnc3ccccc31)C2 ZINC000599457328 1039162662 /nfs/dbraw/zinc/16/26/62/1039162662.db2.gz SZTMQUGYTXVSBS-UHFFFAOYSA-N 1 3 317.436 3.517 20 0 DHADHO c1ccc2c(c1)CC[N@H+](CCCNc1ccnc3ccccc31)C2 ZINC000599457328 1039162668 /nfs/dbraw/zinc/16/26/68/1039162668.db2.gz SZTMQUGYTXVSBS-UHFFFAOYSA-N 1 3 317.436 3.517 20 0 DHADHO CCCOc1cccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000604771112 1039534958 /nfs/dbraw/zinc/53/49/58/1039534958.db2.gz XNPLJHBQWPIKDH-SFHVURJKSA-N 1 3 306.494 3.931 20 0 DHADHO CN(C)CC[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)C(C)(C)C ZINC000606470170 1039901794 /nfs/dbraw/zinc/90/17/94/1039901794.db2.gz JSWSOEBITBBVCO-QGZVFWFLSA-N 1 3 318.505 3.856 20 0 DHADHO C[C@H](c1ccccn1)[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821618 185343952 /nfs/dbraw/zinc/34/39/52/185343952.db2.gz OJXYJPBFYNVZPU-QGZVFWFLSA-N 1 3 324.472 3.776 20 0 DHADHO C[C@H](c1ccccn1)[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821618 185343953 /nfs/dbraw/zinc/34/39/53/185343953.db2.gz OJXYJPBFYNVZPU-QGZVFWFLSA-N 1 3 324.472 3.776 20 0 DHADHO FC(F)(F)c1ccccc1C[NH2+]CCCN1CCCCC1 ZINC000020013319 182177630 /nfs/dbraw/zinc/17/76/30/182177630.db2.gz BYXYTNNPBDCBDF-UHFFFAOYSA-N 1 3 300.368 3.671 20 0 DHADHO C[C@@H]([NH3+])C1CCN([C@H](C)c2cccc(Br)c2)CC1 ZINC000110644034 194345463 /nfs/dbraw/zinc/34/54/63/194345463.db2.gz SRUYKEQGPYRHJA-VXGBXAGGSA-N 1 3 311.267 3.569 20 0 DHADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626149 184178969 /nfs/dbraw/zinc/17/89/69/184178969.db2.gz YHERZZPBAXHARD-XUJVJEKNSA-N 1 3 300.368 3.524 20 0 DHADHO CC[NH+]1CCC(NCCc2nc3cc(Cl)ccc3s2)CC1 ZINC000287215896 535473263 /nfs/dbraw/zinc/47/32/63/535473263.db2.gz DAWPUSQPIUTRRO-UHFFFAOYSA-N 1 3 323.893 3.566 20 0 DHADHO C[C@H](CC[NH2+][C@H](C)c1ccc2c(c1)COC2)N1CCCCC1 ZINC000273310459 130104943 /nfs/dbraw/zinc/10/49/43/130104943.db2.gz WMFDNFXRNOIFLQ-HZPDHXFCSA-N 1 3 302.462 3.632 20 0 DHADHO c1ccc([C@H](NCC2CC[NH+](C3CC3)CC2)c2ccccn2)cc1 ZINC000278462070 130693557 /nfs/dbraw/zinc/69/35/57/130693557.db2.gz MTPKIXRSDIOPOS-NRFANRHFSA-N 1 3 321.468 3.635 20 0 DHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CCOC2(C)C)C1 ZINC000340183791 131017743 /nfs/dbraw/zinc/01/77/43/131017743.db2.gz FOBLSAYAGNAULC-LPHOPBHVSA-N 1 3 316.489 3.576 20 0 DHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CCOC2(C)C)C1 ZINC000340183791 131017745 /nfs/dbraw/zinc/01/77/45/131017745.db2.gz FOBLSAYAGNAULC-LPHOPBHVSA-N 1 3 316.489 3.576 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccc3c(c2)COC3)C[C@@H]1c1ccccc1 ZINC000340307297 131368751 /nfs/dbraw/zinc/36/87/51/131368751.db2.gz UNQJTEFOKVTZML-LEWJYISDSA-N 1 3 322.452 3.642 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccc3c(c2)COC3)C[C@@H]1c1ccccc1 ZINC000340307297 131368752 /nfs/dbraw/zinc/36/87/52/131368752.db2.gz UNQJTEFOKVTZML-LEWJYISDSA-N 1 3 322.452 3.642 20 0 DHADHO CCS[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297780693 132033885 /nfs/dbraw/zinc/03/38/85/132033885.db2.gz WFJZODFHVQYQCR-WMZOPIPTSA-N 1 3 319.518 3.704 20 0 DHADHO CC[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1nc(C)cs1 ZINC000298237977 132052176 /nfs/dbraw/zinc/05/21/76/132052176.db2.gz BYOSGWOLVPXDJS-INIZCTEOSA-N 1 3 316.474 3.556 20 0 DHADHO Fc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1Cl ZINC000298264686 132053269 /nfs/dbraw/zinc/05/32/69/132053269.db2.gz FZYLLJTXKKFVMR-UHFFFAOYSA-N 1 3 319.811 3.633 20 0 DHADHO C[C@@H](C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1)CN(C)C ZINC000391742478 335087554 /nfs/dbraw/zinc/08/75/54/335087554.db2.gz SJVDPAWZJVZIJH-ROUUACIJSA-N 1 3 310.485 3.994 20 0 DHADHO c1ccc(OCCCCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000525874194 335088112 /nfs/dbraw/zinc/08/81/12/335088112.db2.gz VQSIWTLYPXYOLK-IBGZPJMESA-N 1 3 316.489 3.796 20 0 DHADHO Clc1cc2c(c(CNCCCCC[NH+]3CCCC3)c1)OCC2 ZINC000557038246 331765043 /nfs/dbraw/zinc/76/50/43/331765043.db2.gz GWJLSXLVFOQBSC-UHFFFAOYSA-N 1 3 322.880 3.631 20 0 DHADHO COc1ccc(F)c(CNCCCCC[NH+]2CCCCC2)c1 ZINC000559270653 332010532 /nfs/dbraw/zinc/01/05/32/332010532.db2.gz YDTHAXJGEIWQGW-UHFFFAOYSA-N 1 3 308.441 3.580 20 0 DHADHO COc1ccc(CNCCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000559328327 332026996 /nfs/dbraw/zinc/02/69/96/332026996.db2.gz AIGCUUCAHZHTKG-UHFFFAOYSA-N 1 3 310.869 3.704 20 0 DHADHO COc1cccc2c1CC[C@H](NCCC[NH+](C(C)C)C(C)C)C2 ZINC000426075195 335100683 /nfs/dbraw/zinc/10/06/83/335100683.db2.gz FMZSQKNWKKTTGH-SFHVURJKSA-N 1 3 318.505 3.651 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Oc1cccc(C)c1 ZINC000560544664 332356424 /nfs/dbraw/zinc/35/64/24/332356424.db2.gz RYGIRRFBSKIMNS-GSEOLPGOSA-N 1 3 316.489 3.615 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Oc1cccc(C)c1 ZINC000560544664 332356426 /nfs/dbraw/zinc/35/64/26/332356426.db2.gz RYGIRRFBSKIMNS-GSEOLPGOSA-N 1 3 316.489 3.615 20 0 DHADHO C[C@@H](NCC(C)(C)c1c(F)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000562959551 332652231 /nfs/dbraw/zinc/65/22/31/332652231.db2.gz IACYNSJJVWBWDB-OLZOCXBDSA-N 1 3 312.860 3.734 20 0 DHADHO Fc1ccc2c(c1)[C@H](N1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)CC2 ZINC000179181665 333024475 /nfs/dbraw/zinc/02/44/75/333024475.db2.gz NPIUVWDQZACWFY-CDHQVMDDSA-N 1 3 314.448 3.762 20 0 DHADHO Fc1ccc2c(c1)[C@H](N1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)CC2 ZINC000179181665 333024476 /nfs/dbraw/zinc/02/44/76/333024476.db2.gz NPIUVWDQZACWFY-CDHQVMDDSA-N 1 3 314.448 3.762 20 0 DHADHO CC[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000181751746 333064392 /nfs/dbraw/zinc/06/43/92/333064392.db2.gz FUMMVBUIVZMECW-IEBWSBKVSA-N 1 3 301.478 3.856 20 0 DHADHO CCc1ccc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000390718553 333319401 /nfs/dbraw/zinc/31/94/01/333319401.db2.gz MEQFQCFSNSDDHN-OAQYLSRUSA-N 1 3 308.469 3.861 20 0 DHADHO CCc1ccc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000390718553 333319402 /nfs/dbraw/zinc/31/94/02/333319402.db2.gz MEQFQCFSNSDDHN-OAQYLSRUSA-N 1 3 308.469 3.861 20 0 DHADHO CCSCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000390768839 333391733 /nfs/dbraw/zinc/39/17/33/333391733.db2.gz JWIRHCKXIOOYCO-CEXWTWQISA-N 1 3 318.530 3.630 20 0 DHADHO C[C@@H](CCc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000320260529 333471104 /nfs/dbraw/zinc/47/11/04/333471104.db2.gz CHLIKQWJIYWMGY-KRWDZBQOSA-N 1 3 309.457 3.661 20 0 DHADHO CC(C)C1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000236587319 333512403 /nfs/dbraw/zinc/51/24/03/333512403.db2.gz DQSZABWRSIQYSJ-YXWAVELNSA-N 1 3 310.526 3.680 20 0 DHADHO C[NH2+]CCC1CCN(Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414657324 334058442 /nfs/dbraw/zinc/05/84/42/334058442.db2.gz HQFLABLEXRILDA-UHFFFAOYSA-N 1 3 314.395 3.835 20 0 DHADHO Cc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F ZINC000414659603 334059556 /nfs/dbraw/zinc/05/95/56/334059556.db2.gz LHGGLBIFGUMOHL-SQWLQELKSA-N 1 3 312.379 3.573 20 0 DHADHO Cc1ccc(COc2ccc(CN3CC[C@@H]([C@H](C)[NH3+])C3)cc2)cc1 ZINC000414662800 334061086 /nfs/dbraw/zinc/06/10/86/334061086.db2.gz QNFWGHMAZZVLAG-FXAWDEMLSA-N 1 3 324.468 3.743 20 0 DHADHO c1nc(C2CCCC2)sc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772914 334090402 /nfs/dbraw/zinc/09/04/02/334090402.db2.gz CSOKQHPIGYYVRW-CVEARBPZSA-N 1 3 319.518 3.622 20 0 DHADHO c1nc(C2CCCC2)sc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772916 334090515 /nfs/dbraw/zinc/09/05/15/334090515.db2.gz CSOKQHPIGYYVRW-HOTGVXAUSA-N 1 3 319.518 3.622 20 0 DHADHO FC(F)(F)c1ccccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772928 334090564 /nfs/dbraw/zinc/09/05/64/334090564.db2.gz CTDWBVHLHLZEEN-KGLIPLIRSA-N 1 3 312.379 3.527 20 0 DHADHO Clc1ccccc1-c1ccc(C[NH2+]C2CCNCC2)s1 ZINC000414785517 334095112 /nfs/dbraw/zinc/09/51/12/334095112.db2.gz JGTGMCQWDHNNJA-UHFFFAOYSA-N 1 3 306.862 3.910 20 0 DHADHO CCCC[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414806318 334104488 /nfs/dbraw/zinc/10/44/88/334104488.db2.gz BIXPZLJNOLLOPL-HZPDHXFCSA-N 1 3 319.493 3.634 20 0 DHADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414821089 334108492 /nfs/dbraw/zinc/10/84/92/334108492.db2.gz KPPRCDYTJVEHSE-TUKIKUTGSA-N 1 3 300.368 3.668 20 0 DHADHO C[C@H]([NH3+])CCN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414821089 334108493 /nfs/dbraw/zinc/10/84/93/334108493.db2.gz KPPRCDYTJVEHSE-TUKIKUTGSA-N 1 3 300.368 3.668 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)c1ccc(C(F)(F)F)cc1 ZINC000414824151 334108707 /nfs/dbraw/zinc/10/87/07/334108707.db2.gz QDAKHWIVSFGIIF-IPYPFGDCSA-N 1 3 314.395 3.787 20 0 DHADHO Fc1ccc(CNCC[C@H]2CCC[NH2+]C2)c(Cl)c1Cl ZINC000414832613 334111102 /nfs/dbraw/zinc/11/11/02/334111102.db2.gz FGQFIZTUZAYLAH-SNVBAGLBSA-N 1 3 305.224 3.612 20 0 DHADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414848892 334121600 /nfs/dbraw/zinc/12/16/00/334121600.db2.gz XOZKTSLQOJWRBO-MAZHCROVSA-N 1 3 314.395 3.787 20 0 DHADHO C[NH2+]C[C@H](C)CN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414848892 334121601 /nfs/dbraw/zinc/12/16/01/334121601.db2.gz XOZKTSLQOJWRBO-MAZHCROVSA-N 1 3 314.395 3.787 20 0 DHADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCNC1 ZINC000414854519 334127896 /nfs/dbraw/zinc/12/78/96/334127896.db2.gz LYFKHLLQNVYQLA-ZFWWWQNUSA-N 1 3 314.395 3.616 20 0 DHADHO NC1(C[NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CCC1 ZINC000414871985 334142959 /nfs/dbraw/zinc/14/29/59/334142959.db2.gz DVMGUOOMQWZDNC-XBXARRHUSA-N 1 3 322.452 3.750 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)NCC1([NH3+])CCC1 ZINC000414875718 334145731 /nfs/dbraw/zinc/14/57/31/334145731.db2.gz KKIUCWWWNGUEQJ-CYBMUJFWSA-N 1 3 301.261 3.786 20 0 DHADHO C[C@@H](CC[NH3+])NC/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414901179 334164988 /nfs/dbraw/zinc/16/49/88/334164988.db2.gz WXMKTJJCJIOBAM-JZLODUJNSA-N 1 3 310.441 3.606 20 0 DHADHO Cc1ccc(-c2nc(CNCC3(C)CC[NH2+]CC3)cs2)cc1 ZINC000414906516 334170063 /nfs/dbraw/zinc/17/00/63/334170063.db2.gz PZRWCDRNDWBTJD-UHFFFAOYSA-N 1 3 315.486 3.598 20 0 DHADHO Cc1ccc(COc2ccc(C[NH2+]C3(C)CCNCC3)cc2)cc1 ZINC000414941219 334202358 /nfs/dbraw/zinc/20/23/58/334202358.db2.gz LCAOQGCHNFDJSN-UHFFFAOYSA-N 1 3 324.468 3.806 20 0 DHADHO C[C@H]1C[C@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)CCN1 ZINC000414945960 334205142 /nfs/dbraw/zinc/20/51/42/334205142.db2.gz IZOMPWCNSROLKL-PGRDOPGGSA-N 1 3 322.496 3.818 20 0 DHADHO C[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000414955604 334208049 /nfs/dbraw/zinc/20/80/49/334208049.db2.gz OSFFEASNJUPSSG-TYNCELHUSA-N 1 3 300.368 3.539 20 0 DHADHO C[C@@H]1C[C@H]([NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC000414954322 334208060 /nfs/dbraw/zinc/20/80/60/334208060.db2.gz SNSQKZZEGITUTL-STZQEDGTSA-N 1 3 322.496 3.961 20 0 DHADHO Fc1cc(-c2ccncc2)ccc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414960989 334212451 /nfs/dbraw/zinc/21/24/51/334212451.db2.gz BBKQZUXJULJWPE-SFHVURJKSA-N 1 3 313.420 3.510 20 0 DHADHO C[C@H]1CNCC[C@H]1[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414968216 334215197 /nfs/dbraw/zinc/21/51/97/334215197.db2.gz YEZHMGHEMIZFSS-BLLLJJGKSA-N 1 3 304.434 3.642 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCNCC1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000414967834 334215286 /nfs/dbraw/zinc/21/52/86/334215286.db2.gz HSQGXMOMQCSZMJ-DOMZBBRYSA-N 1 3 314.395 3.787 20 0 DHADHO C[C@H](CN[C@H]1CC[NH2+]CC1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000414967834 334215287 /nfs/dbraw/zinc/21/52/87/334215287.db2.gz HSQGXMOMQCSZMJ-DOMZBBRYSA-N 1 3 314.395 3.787 20 0 DHADHO CC[C@H]([NH3+])CN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414986572 334228825 /nfs/dbraw/zinc/22/88/25/334228825.db2.gz IZSKANAAYSMGDG-ZNMIVQPWSA-N 1 3 300.368 3.668 20 0 DHADHO C[C@@H](CCCC[NH3+])NCc1cc(Br)ccc1Cl ZINC000415012490 334258204 /nfs/dbraw/zinc/25/82/04/334258204.db2.gz IZSBXIUBRQBPMG-JTQLQIEISA-N 1 3 319.674 3.710 20 0 DHADHO CC1(C)CC[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000415012861 334258212 /nfs/dbraw/zinc/25/82/12/334258212.db2.gz XVIJRAFRWOQMGX-RYQLBKOJSA-N 1 3 304.453 3.687 20 0 DHADHO C[C@@H](CCC[NH3+])NCc1cc(Cl)ccc1OC1CCCC1 ZINC000415027726 334259911 /nfs/dbraw/zinc/25/99/11/334259911.db2.gz XHUOLVXVTSKOFJ-ZDUSSCGKSA-N 1 3 310.869 3.878 20 0 DHADHO c1cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000415041736 334260918 /nfs/dbraw/zinc/26/09/18/334260918.db2.gz LQNRRDRNHHJZIM-LEWJYISDSA-N 1 3 321.468 3.713 20 0 DHADHO COc1ccccc1[C@H](NC[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000415076337 334268663 /nfs/dbraw/zinc/26/86/63/334268663.db2.gz AUTRBEMTWSLJPI-CSODHUTKSA-N 1 3 324.468 3.762 20 0 DHADHO CCC[C@@H]([NH2+]C1CCNCC1)c1cccc(C(F)(F)F)c1 ZINC000415106116 334283050 /nfs/dbraw/zinc/28/30/50/334283050.db2.gz MPNYQMFAJUKLBE-OAHLLOKOSA-N 1 3 300.368 3.888 20 0 DHADHO CCC[C@H]([NH2+]C1CCNCC1)c1cccc(C(F)(F)F)c1 ZINC000415106113 334283201 /nfs/dbraw/zinc/28/32/01/334283201.db2.gz MPNYQMFAJUKLBE-HNNXBMFYSA-N 1 3 300.368 3.888 20 0 DHADHO CC(C)c1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415130714 334285543 /nfs/dbraw/zinc/28/55/43/334285543.db2.gz RLIGGYBNTXGWEJ-VQTJNVASSA-N 1 3 316.489 3.528 20 0 DHADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c(OC(C)(C)C)c1 ZINC000531979434 334350667 /nfs/dbraw/zinc/35/06/67/334350667.db2.gz LYQXJDATZRRWST-SOLBZPMBSA-N 1 3 318.505 3.991 20 0 DHADHO Cc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000535152486 334372886 /nfs/dbraw/zinc/37/28/86/334372886.db2.gz FWVLJMWRHWQONW-KRWDZBQOSA-N 1 3 309.457 3.711 20 0 DHADHO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342822051 334581086 /nfs/dbraw/zinc/58/10/86/334581086.db2.gz FGSCMVQYEWRYIA-HOTGVXAUSA-N 1 3 304.478 3.684 20 0 DHADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000425955492 334820539 /nfs/dbraw/zinc/82/05/39/334820539.db2.gz RWSFZPGKJRFOOP-CJNGLKHVSA-N 1 3 300.437 3.664 20 0 DHADHO C[N@H+](CCCN1CCCC1)Cc1cccc(-c2ccncc2)c1 ZINC000343624504 335182486 /nfs/dbraw/zinc/18/24/86/335182486.db2.gz PSYDVNKCDBUHGD-UHFFFAOYSA-N 1 3 309.457 3.666 20 0 DHADHO C[N@@H+](CCCN1CCCC1)Cc1cccc(-c2ccncc2)c1 ZINC000343624504 335182488 /nfs/dbraw/zinc/18/24/88/335182488.db2.gz PSYDVNKCDBUHGD-UHFFFAOYSA-N 1 3 309.457 3.666 20 0 DHADHO CC[N@@H+]1CC[C@@H](NCc2cccc(-c3cccnc3)c2)[C@@H](C)C1 ZINC000344527160 335255349 /nfs/dbraw/zinc/25/53/49/335255349.db2.gz AORNAIVHTHJGCE-OXJNMPFZSA-N 1 3 309.457 3.569 20 0 DHADHO CC[N@H+]1CC[C@@H](NCc2cccc(-c3cccnc3)c2)[C@@H](C)C1 ZINC000344527160 335255350 /nfs/dbraw/zinc/25/53/50/335255350.db2.gz AORNAIVHTHJGCE-OXJNMPFZSA-N 1 3 309.457 3.569 20 0 DHADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(c2cccc3cnccc32)CC1 ZINC000366875746 335273344 /nfs/dbraw/zinc/27/33/44/335273344.db2.gz IGTBEKZRUZZYCL-LJQANCHMSA-N 1 3 323.484 3.899 20 0 DHADHO C[N@H+]1CCC[C@@H]1CCN1CCC(c2cccc3cnccc32)CC1 ZINC000366875746 335273346 /nfs/dbraw/zinc/27/33/46/335273346.db2.gz IGTBEKZRUZZYCL-LJQANCHMSA-N 1 3 323.484 3.899 20 0 DHADHO CC[C@H](N[C@@H](C)CC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000345153261 335301850 /nfs/dbraw/zinc/30/18/50/335301850.db2.gz BXQMCXPLZHNMOM-WFASDCNBSA-N 1 3 300.393 3.669 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)c3ncccc3c2)[C@H](C)C1 ZINC000346221190 335385570 /nfs/dbraw/zinc/38/55/70/335385570.db2.gz OADUYJJTXFHFKQ-APWZRJJASA-N 1 3 311.473 3.705 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)c3ncccc3c2)[C@H](C)C1 ZINC000346221190 335385572 /nfs/dbraw/zinc/38/55/72/335385572.db2.gz OADUYJJTXFHFKQ-APWZRJJASA-N 1 3 311.473 3.705 20 0 DHADHO Cc1ccc(OC2CC[NH+](CC[C@H]3CCCCN3C)CC2)cc1 ZINC000351473481 336036322 /nfs/dbraw/zinc/03/63/22/336036322.db2.gz VGXHSAVPJXSDRY-GOSISDBHSA-N 1 3 316.489 3.713 20 0 DHADHO C[C@H](c1cccnc1)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352831592 336269506 /nfs/dbraw/zinc/26/95/06/336269506.db2.gz LXSBMQPJLPHFRL-WIYYLYMNSA-N 1 3 321.468 3.741 20 0 DHADHO C[C@H](c1cccnc1)[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352831592 336269507 /nfs/dbraw/zinc/26/95/07/336269507.db2.gz LXSBMQPJLPHFRL-WIYYLYMNSA-N 1 3 321.468 3.741 20 0 DHADHO C(=C/c1ccccc1)\CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000020477318 336284071 /nfs/dbraw/zinc/28/40/71/336284071.db2.gz MEVNWEXHXSTUGM-KPKJPENVSA-N 1 3 306.453 3.954 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000563976847 336389341 /nfs/dbraw/zinc/38/93/41/336389341.db2.gz VVGXATMSFCZBAZ-KURKYZTESA-N 1 3 322.880 3.667 20 0 DHADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)COC2 ZINC000359641873 336681451 /nfs/dbraw/zinc/68/14/51/336681451.db2.gz YYUBUIIYKLQEMD-HNNXBMFYSA-N 1 3 310.441 3.629 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2ccc(C)cn2)CC1 ZINC000359863320 336690351 /nfs/dbraw/zinc/69/03/51/336690351.db2.gz UVRGYOIYTPOAHS-UHFFFAOYSA-N 1 3 303.494 3.724 20 0 DHADHO C[N@H+](Cc1cc2ccccc2[nH]1)C1CCN(c2ccncc2)CC1 ZINC000377692474 337058510 /nfs/dbraw/zinc/05/85/10/337058510.db2.gz IPORLMACQDOPEY-UHFFFAOYSA-N 1 3 320.440 3.664 20 0 DHADHO C[N@@H+](Cc1cc2ccccc2[nH]1)C1CCN(c2ccncc2)CC1 ZINC000377692474 337058511 /nfs/dbraw/zinc/05/85/11/337058511.db2.gz IPORLMACQDOPEY-UHFFFAOYSA-N 1 3 320.440 3.664 20 0 DHADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000378399392 337071832 /nfs/dbraw/zinc/07/18/32/337071832.db2.gz FYFSBAAYIVTVFL-PKOBYXMFSA-N 1 3 322.537 3.967 20 0 DHADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000378399391 337071834 /nfs/dbraw/zinc/07/18/34/337071834.db2.gz FYFSBAAYIVTVFL-MJGOQNOKSA-N 1 3 322.537 3.967 20 0 DHADHO C[C@H]([NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)C(C)(C)C ZINC000378440657 337072816 /nfs/dbraw/zinc/07/28/16/337072816.db2.gz DAOSDVQJLJSIAY-RDJZCZTQSA-N 1 3 316.489 3.999 20 0 DHADHO CSC1(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CCC1 ZINC000193803225 337080194 /nfs/dbraw/zinc/08/01/94/337080194.db2.gz PZFKAPVTNPOOQY-HNNXBMFYSA-N 1 3 322.518 3.563 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000178413231 337164458 /nfs/dbraw/zinc/16/44/58/337164458.db2.gz QZQDSXPVGDKQON-LSDHHAIUSA-N 1 3 317.502 3.864 20 0 DHADHO C[C@@H](NCCC[NH+]1CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000178413231 337164459 /nfs/dbraw/zinc/16/44/59/337164459.db2.gz QZQDSXPVGDKQON-LSDHHAIUSA-N 1 3 317.502 3.864 20 0 DHADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000469853693 337195410 /nfs/dbraw/zinc/19/54/10/337195410.db2.gz KONVNAJXMVCMBZ-QWHCGFSZSA-N 1 3 304.434 3.723 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000422719541 337684227 /nfs/dbraw/zinc/68/42/27/337684227.db2.gz YQANPIXCQGYVSH-GDBMZVCRSA-N 1 3 311.473 3.866 20 0 DHADHO C(COC1CCCCCC1)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422762017 337685400 /nfs/dbraw/zinc/68/54/00/337685400.db2.gz NIRYZAMFDVHYLR-IPMKNSEASA-N 1 3 308.510 3.626 20 0 DHADHO Cc1ccc(CSCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422774248 337686002 /nfs/dbraw/zinc/68/60/02/337686002.db2.gz WGCUBEWWJQVGKF-IPMKNSEASA-N 1 3 318.530 3.739 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000422799036 337687071 /nfs/dbraw/zinc/68/70/71/337687071.db2.gz UTNCZCDKOKTOIT-PQEBFOHHSA-N 1 3 301.478 3.858 20 0 DHADHO COc1ccc2cc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422799255 337687079 /nfs/dbraw/zinc/68/70/79/337687079.db2.gz VXVYXPYYGXHKAW-PCCBWWKXSA-N 1 3 324.468 3.859 20 0 DHADHO [NH3+][C@@H]1C[C@@H](N[C@@H](CN2CCCC2)c2ccccc2)c2ccccc21 ZINC000422808003 337687505 /nfs/dbraw/zinc/68/75/05/337687505.db2.gz PQIFBSDZCOEPEB-NJYVYQBISA-N 1 3 321.468 3.558 20 0 DHADHO c1ccc(C[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422841292 337688534 /nfs/dbraw/zinc/68/85/34/337688534.db2.gz VNNWCFAQHJXNHV-IZCSPVGOSA-N 1 3 320.480 3.886 20 0 DHADHO c1ccc2c(c1)CCS[C@@H]2CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422839246 337688663 /nfs/dbraw/zinc/68/86/63/337688663.db2.gz QCCDPVJELSIGNG-WJFTUGDTSA-N 1 3 316.514 3.527 20 0 DHADHO C[C@H](CCCC[NH3+])N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422885206 337690121 /nfs/dbraw/zinc/69/01/21/337690121.db2.gz GJYCRBIXPNCBNV-RDTXWAMCSA-N 1 3 317.864 3.932 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422890592 337690306 /nfs/dbraw/zinc/69/03/06/337690306.db2.gz SMKHZKGGLLRCJF-ICSRJNTNSA-N 1 3 312.457 3.716 20 0 DHADHO CCCOc1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422993134 337693943 /nfs/dbraw/zinc/69/39/43/337693943.db2.gz SLBLDPCSKOMZIN-VAMGGRTRSA-N 1 3 316.489 3.528 20 0 DHADHO CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)OC ZINC000422993281 337693957 /nfs/dbraw/zinc/69/39/57/337693957.db2.gz FFZZQDOVEDYJFQ-HCXYKTFWSA-N 1 3 310.526 3.728 20 0 DHADHO CCC(CC)[C@@H]1C[C@H](N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000423036593 337696743 /nfs/dbraw/zinc/69/67/43/337696743.db2.gz ARKVTNQTXHOYFX-KANFNMMFSA-N 1 3 310.526 3.871 20 0 DHADHO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCO1 ZINC000423046588 337697063 /nfs/dbraw/zinc/69/70/63/337697063.db2.gz UCPAMQGEPURTAQ-OBKDMQGPSA-N 1 3 322.537 3.871 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000423056224 337697537 /nfs/dbraw/zinc/69/75/37/337697537.db2.gz XRQFAXWVVDAORL-MDNKFWRPSA-N 1 3 316.489 3.807 20 0 DHADHO Fc1cccc([C@H]2C[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000423093131 337699073 /nfs/dbraw/zinc/69/90/73/337699073.db2.gz FWOUYTIMSLDEQD-YHUYVZNPSA-N 1 3 316.464 3.972 20 0 DHADHO Fc1cccc([C@@H]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423105708 337699690 /nfs/dbraw/zinc/69/96/90/337699690.db2.gz ZJSDTNMYZHBOLL-MTEHYEEQSA-N 1 3 316.464 3.972 20 0 DHADHO Cc1cc2cc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423115782 337700313 /nfs/dbraw/zinc/70/03/13/337700313.db2.gz YSCAIEXTMBQHRR-DFQSSKMNSA-N 1 3 311.473 3.877 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423125385 337700534 /nfs/dbraw/zinc/70/05/34/337700534.db2.gz HYSXSHHISSLDTR-OCCSQVGLSA-N 1 3 311.420 3.715 20 0 DHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423128328 337700746 /nfs/dbraw/zinc/70/07/46/337700746.db2.gz VRYBLYAREPLQCN-FFGOWVMKSA-N 1 3 316.489 3.807 20 0 DHADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423167575 337702178 /nfs/dbraw/zinc/70/21/78/337702178.db2.gz SKVMJNCROUCETO-KCMWZYNZSA-N 1 3 306.881 3.954 20 0 DHADHO [NH3+]CCCN[C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423187562 337703067 /nfs/dbraw/zinc/70/30/67/337703067.db2.gz YERPFXHNYLZWAO-ZDUSSCGKSA-N 1 3 321.877 3.779 20 0 DHADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccc(Oc2ccccc2)cn1 ZINC000423253104 337707647 /nfs/dbraw/zinc/70/76/47/337707647.db2.gz VCSXULBOYJSIPK-CVEARBPZSA-N 1 3 311.429 3.524 20 0 DHADHO Cc1ccc(-c2nc3c(s2)[C@@H](NC[C@H](C)C[NH3+])CCC3)cc1 ZINC000423296123 337710706 /nfs/dbraw/zinc/71/07/06/337710706.db2.gz GEURHPMRICMBOB-HIFRSBDPSA-N 1 3 315.486 3.680 20 0 DHADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(SCC(F)(F)F)cc1 ZINC000423300141 337711043 /nfs/dbraw/zinc/71/10/43/337711043.db2.gz QWPBUZWSWOVEPF-WDEREUQCSA-N 1 3 306.397 3.586 20 0 DHADHO [NH3+]CCCCN[C@@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000423329993 337712296 /nfs/dbraw/zinc/71/22/96/337712296.db2.gz PIIRZCKTPSBPKO-FQEVSTJZSA-N 1 3 305.425 3.653 20 0 DHADHO Clc1ccc2c(c1)[C@H](NCC1=CC[NH2+]CC1)CCCS2 ZINC000423331691 337712437 /nfs/dbraw/zinc/71/24/37/337712437.db2.gz CSNOEIHSXKYSBI-OAHLLOKOSA-N 1 3 308.878 3.776 20 0 DHADHO Fc1ccc(C(NCC2=CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000423342989 337713028 /nfs/dbraw/zinc/71/30/28/337713028.db2.gz LHRICLCNIMHVKE-UHFFFAOYSA-N 1 3 314.379 3.564 20 0 DHADHO COc1ccc2oc([C@H](C)N[C@H]3CCC[C@H]([NH3+])C3)c(C)c2c1 ZINC000423363702 337714474 /nfs/dbraw/zinc/71/44/74/337714474.db2.gz AFCPFKAUKBEUAO-IHRRRGAJSA-N 1 3 302.418 3.670 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000423362643 337714525 /nfs/dbraw/zinc/71/45/25/337714525.db2.gz BJTIYCJHKZRSIJ-KCMWZYNZSA-N 1 3 306.881 3.639 20 0 DHADHO C[C@H](CCCC[NH3+])N[C@H](C)c1ccc(F)cc1OC(F)F ZINC000423425760 337717019 /nfs/dbraw/zinc/71/70/19/337717019.db2.gz HCJUMAZSCYNQPJ-GHMZBOCLSA-N 1 3 304.356 3.595 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CCCC1 ZINC000423463415 337720685 /nfs/dbraw/zinc/72/06/85/337720685.db2.gz FXNKFWLAFBLRDB-DKSSEZFCSA-N 1 3 304.453 3.687 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1C[C@H]1C ZINC000423467512 337720910 /nfs/dbraw/zinc/72/09/10/337720910.db2.gz JCWYYBPIAVNNPC-UZJLFSMRSA-N 1 3 304.453 3.543 20 0 DHADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1OC(F)F ZINC000423474491 337721408 /nfs/dbraw/zinc/72/14/08/337721408.db2.gz HKVNRPZILDSWTH-DGCLKSJQSA-N 1 3 316.367 3.610 20 0 DHADHO COc1cccc2c1CC[C@@H]2N[C@H](CCC[NH3+])c1ccccc1 ZINC000423514328 337724095 /nfs/dbraw/zinc/72/40/95/337724095.db2.gz WHCLQIGJQDTCBY-MOPGFXCFSA-N 1 3 310.441 3.752 20 0 DHADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000423541598 337725203 /nfs/dbraw/zinc/72/52/03/337725203.db2.gz SIFFJDLOLAYFHM-CQSZACIVSA-N 1 3 313.470 3.771 20 0 DHADHO C[C@H](NCCC1=CC[NH2+]CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423545094 337725295 /nfs/dbraw/zinc/72/52/95/337725295.db2.gz XNPMZFAPIHUSQW-INIZCTEOSA-N 1 3 323.440 3.834 20 0 DHADHO C[NH+](C)C1CCC(NCc2c(F)ccc(F)c2Cl)CC1 ZINC000527720545 337758961 /nfs/dbraw/zinc/75/89/61/337758961.db2.gz MZAPDJUHDIXRRH-UHFFFAOYSA-N 1 3 302.796 3.581 20 0 DHADHO C[C@H](CCc1cccn1C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000122597648 337922810 /nfs/dbraw/zinc/92/28/10/337922810.db2.gz PNHXKKDRHIRJES-QGZVFWFLSA-N 1 3 317.521 3.733 20 0 DHADHO Cc1nc2ccc(CN3CCCC34CC[NH+](C)CC4)cc2s1 ZINC000426364349 338028917 /nfs/dbraw/zinc/02/89/17/338028917.db2.gz GOCDXMLPJFRRHT-UHFFFAOYSA-N 1 3 315.486 3.665 20 0 DHADHO Cc1nc2ccc(C[N@H+]3CCCC34CCN(C)CC4)cc2s1 ZINC000426364349 338028918 /nfs/dbraw/zinc/02/89/18/338028918.db2.gz GOCDXMLPJFRRHT-UHFFFAOYSA-N 1 3 315.486 3.665 20 0 DHADHO Cc1nc2ccc(C[N@@H+]3CCCC34CCN(C)CC4)cc2s1 ZINC000426364349 338028919 /nfs/dbraw/zinc/02/89/19/338028919.db2.gz GOCDXMLPJFRRHT-UHFFFAOYSA-N 1 3 315.486 3.665 20 0 DHADHO Cc1nccn1CCCC[N@@H+](C)C(C)(C)CN1CCCCCC1 ZINC000426743439 338040244 /nfs/dbraw/zinc/04/02/44/338040244.db2.gz UETYPPIVMRAVRU-UHFFFAOYSA-N 1 3 320.525 3.558 20 0 DHADHO Cc1nccn1CCCC[N@H+](C)C(C)(C)CN1CCCCCC1 ZINC000426743439 338040245 /nfs/dbraw/zinc/04/02/45/338040245.db2.gz UETYPPIVMRAVRU-UHFFFAOYSA-N 1 3 320.525 3.558 20 0 DHADHO Cc1cc(OCC[N@@H+]2CC[C@@]3(CCN(C)C3)C2)ccc1C(C)C ZINC000429016013 338068838 /nfs/dbraw/zinc/06/88/38/338068838.db2.gz AIWPUNUKYWRVSO-HXUWFJFHSA-N 1 3 316.489 3.525 20 0 DHADHO Cc1cc(OCC[N@H+]2CC[C@@]3(CCN(C)C3)C2)ccc1C(C)C ZINC000429016013 338068839 /nfs/dbraw/zinc/06/88/39/338068839.db2.gz AIWPUNUKYWRVSO-HXUWFJFHSA-N 1 3 316.489 3.525 20 0 DHADHO C[NH+](C)[C@@H]1CCCN(CCCSCc2ccccc2)CC1 ZINC000429553213 338083714 /nfs/dbraw/zinc/08/37/14/338083714.db2.gz NCUWNHVCWYPYED-GOSISDBHSA-N 1 3 306.519 3.726 20 0 DHADHO CN(C)[C@@H]1CCC[N@H+](CCCSCc2ccccc2)CC1 ZINC000429553213 338083715 /nfs/dbraw/zinc/08/37/15/338083715.db2.gz NCUWNHVCWYPYED-GOSISDBHSA-N 1 3 306.519 3.726 20 0 DHADHO CN(C)[C@@H]1CCC[N@@H+](CCCSCc2ccccc2)CC1 ZINC000429553213 338083716 /nfs/dbraw/zinc/08/37/16/338083716.db2.gz NCUWNHVCWYPYED-GOSISDBHSA-N 1 3 306.519 3.726 20 0 DHADHO C[N@@H+]1CC[C@]2(CCN(CCc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000430164810 338099617 /nfs/dbraw/zinc/09/96/17/338099617.db2.gz MQQPBWMFSJKVBI-FQEVSTJZSA-N 1 3 300.490 3.554 20 0 DHADHO C[N@H+]1CC[C@]2(CCN(CCc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000430164810 338099618 /nfs/dbraw/zinc/09/96/18/338099618.db2.gz MQQPBWMFSJKVBI-FQEVSTJZSA-N 1 3 300.490 3.554 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCSCc2ccccc2)C[C@H]1C ZINC000430758980 338114011 /nfs/dbraw/zinc/11/40/11/338114011.db2.gz FATSQYFTXNAJSE-AEFFLSMTSA-N 1 3 306.519 3.724 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCSCc2ccccc2)C[C@H]1C ZINC000430758980 338114012 /nfs/dbraw/zinc/11/40/12/338114012.db2.gz FATSQYFTXNAJSE-AEFFLSMTSA-N 1 3 306.519 3.724 20 0 DHADHO Clc1oc2ccccc2c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430927467 338119030 /nfs/dbraw/zinc/11/90/30/338119030.db2.gz QUJDHMBTWYFYRB-UHFFFAOYSA-N 1 3 304.821 3.662 20 0 DHADHO C[NH+]1CCC(CNCc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432252500 338151123 /nfs/dbraw/zinc/15/11/23/338151123.db2.gz YRKWCHCGGFHNCH-UHFFFAOYSA-N 1 3 305.224 3.564 20 0 DHADHO Cc1cc(C)c([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC000432404990 338154880 /nfs/dbraw/zinc/15/48/80/338154880.db2.gz GBDSVYSYWIQIDG-RBUKOAKNSA-N 1 3 318.505 3.763 20 0 DHADHO Cc1cc(C)c([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC000432404990 338154881 /nfs/dbraw/zinc/15/48/81/338154881.db2.gz GBDSVYSYWIQIDG-RBUKOAKNSA-N 1 3 318.505 3.763 20 0 DHADHO Cc1cc(C)c([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC000432404989 338154907 /nfs/dbraw/zinc/15/49/07/338154907.db2.gz GBDSVYSYWIQIDG-OALUTQOASA-N 1 3 318.505 3.763 20 0 DHADHO Cc1cc(C)c([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC000432404989 338154908 /nfs/dbraw/zinc/15/49/08/338154908.db2.gz GBDSVYSYWIQIDG-OALUTQOASA-N 1 3 318.505 3.763 20 0 DHADHO Cc1cc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc(C)c1F ZINC000432431557 338156361 /nfs/dbraw/zinc/15/63/61/338156361.db2.gz WSRVIVGNAYDGOD-DLBZAZTESA-N 1 3 322.468 3.594 20 0 DHADHO Cc1cc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc(C)c1F ZINC000432431557 338156362 /nfs/dbraw/zinc/15/63/62/338156362.db2.gz WSRVIVGNAYDGOD-DLBZAZTESA-N 1 3 322.468 3.594 20 0 DHADHO CCc1ccc([C@H]2CCN(CC[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000433062665 338179552 /nfs/dbraw/zinc/17/95/52/338179552.db2.gz VAPXICVZGVPWIJ-VQTJNVASSA-N 1 3 300.490 3.913 20 0 DHADHO CCc1ccc([C@H]2CCN(CC[C@H]3CCCC[N@H+]3C)C2)cc1 ZINC000433062665 338179553 /nfs/dbraw/zinc/17/95/53/338179553.db2.gz VAPXICVZGVPWIJ-VQTJNVASSA-N 1 3 300.490 3.913 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000437774528 338320796 /nfs/dbraw/zinc/32/07/96/338320796.db2.gz LKVBFBCHXNCVAP-IRXDYDNUSA-N 1 3 306.469 3.714 20 0 DHADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000437774528 338320797 /nfs/dbraw/zinc/32/07/97/338320797.db2.gz LKVBFBCHXNCVAP-IRXDYDNUSA-N 1 3 306.469 3.714 20 0 DHADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000437774528 338320798 /nfs/dbraw/zinc/32/07/98/338320798.db2.gz LKVBFBCHXNCVAP-IRXDYDNUSA-N 1 3 306.469 3.714 20 0 DHADHO CN1CCCC[C@@H]1CC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440571365 338390703 /nfs/dbraw/zinc/39/07/03/338390703.db2.gz YFOLTVXKMQSJKO-RMJJICAUSA-N 1 3 320.521 3.530 20 0 DHADHO CN1CCCC[C@@H]1CC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440571365 338390704 /nfs/dbraw/zinc/39/07/04/338390704.db2.gz YFOLTVXKMQSJKO-RMJJICAUSA-N 1 3 320.521 3.530 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCSc2ccc(F)cc2)[C@H](C)C1 ZINC000440698807 338395458 /nfs/dbraw/zinc/39/54/58/338395458.db2.gz WWXYNNTWCOWFEY-PBHICJAKSA-N 1 3 310.482 3.580 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCSc2ccc(F)cc2)[C@H](C)C1 ZINC000440698807 338395459 /nfs/dbraw/zinc/39/54/59/338395459.db2.gz WWXYNNTWCOWFEY-PBHICJAKSA-N 1 3 310.482 3.580 20 0 DHADHO COc1cc(C)ccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000449032958 338585823 /nfs/dbraw/zinc/58/58/23/338585823.db2.gz YFEHEDUWBTXRSL-UHFFFAOYSA-N 1 3 304.478 3.557 20 0 DHADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449170979 338598925 /nfs/dbraw/zinc/59/89/25/338598925.db2.gz JVTVRFCXOOEVNQ-VIHIWDAPSA-N 1 3 308.510 3.719 20 0 DHADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000449250043 338606718 /nfs/dbraw/zinc/60/67/18/338606718.db2.gz KRHXTBUROKGDIA-GJYPPUQNSA-N 1 3 301.478 3.712 20 0 DHADHO CCC1(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)COC1 ZINC000449607046 338640604 /nfs/dbraw/zinc/64/06/04/338640604.db2.gz VGHXAHPWTUIUJG-UHFFFAOYSA-N 1 3 310.526 3.682 20 0 DHADHO C[C@H](CCCc1cccnc1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000453075328 338790826 /nfs/dbraw/zinc/79/08/26/338790826.db2.gz HLTKZUZFNWLBKU-OAHLLOKOSA-N 1 3 303.494 3.692 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000459395657 339026935 /nfs/dbraw/zinc/02/69/35/339026935.db2.gz UPUNRLKEDOULED-FPOVZHCZSA-N 1 3 324.468 3.520 20 0 DHADHO CC(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459424753 339028305 /nfs/dbraw/zinc/02/83/05/339028305.db2.gz JPKFXCFRVZJBKZ-AEFFLSMTSA-N 1 3 301.478 3.855 20 0 DHADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459434228 339028978 /nfs/dbraw/zinc/02/89/78/339028978.db2.gz HKHNJVVHBWITLG-QAPCUYQASA-N 1 3 301.478 3.855 20 0 DHADHO C[C@@H](CC1CCCCC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459501812 339032948 /nfs/dbraw/zinc/03/29/48/339032948.db2.gz CVEBYKVYZRLBAM-INIZCTEOSA-N 1 3 301.478 3.999 20 0 DHADHO C[C@H](CCCC(F)(F)F)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459513545 339033555 /nfs/dbraw/zinc/03/35/55/339033555.db2.gz RYWOTRQMIDBJDG-CYBMUJFWSA-N 1 3 315.383 3.761 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000459734933 339045194 /nfs/dbraw/zinc/04/51/94/339045194.db2.gz OYZBVOXHVNRYBK-GFCCVEGCSA-N 1 3 318.358 3.666 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000459734933 339045195 /nfs/dbraw/zinc/04/51/95/339045195.db2.gz OYZBVOXHVNRYBK-GFCCVEGCSA-N 1 3 318.358 3.666 20 0 DHADHO Cc1cc(NC2CCN(c3ccncc3)CC2)ccc1C[NH+](C)C ZINC000459776505 339047964 /nfs/dbraw/zinc/04/79/64/339047964.db2.gz VOUVHZHSVJSRED-UHFFFAOYSA-N 1 3 324.472 3.533 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000463025052 339101063 /nfs/dbraw/zinc/10/10/63/339101063.db2.gz NRLSSDVXMVPAAI-KZNAEPCWSA-N 1 3 310.526 3.536 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000463025052 339101064 /nfs/dbraw/zinc/10/10/64/339101064.db2.gz NRLSSDVXMVPAAI-KZNAEPCWSA-N 1 3 310.526 3.536 20 0 DHADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000463025052 339101065 /nfs/dbraw/zinc/10/10/65/339101065.db2.gz NRLSSDVXMVPAAI-KZNAEPCWSA-N 1 3 310.526 3.536 20 0 DHADHO CC(C)N(C)CCC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311539 339231178 /nfs/dbraw/zinc/23/11/78/339231178.db2.gz SGDUYPNSMUZUNR-AWEZNQCLSA-N 1 3 316.411 3.956 20 0 DHADHO CC(C)[N@@H+](C)CCCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311539 339231179 /nfs/dbraw/zinc/23/11/79/339231179.db2.gz SGDUYPNSMUZUNR-AWEZNQCLSA-N 1 3 316.411 3.956 20 0 DHADHO CC(C)[N@H+](C)CCCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311539 339231180 /nfs/dbraw/zinc/23/11/80/339231180.db2.gz SGDUYPNSMUZUNR-AWEZNQCLSA-N 1 3 316.411 3.956 20 0 DHADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCN1CCCC1 ZINC000467311995 339231223 /nfs/dbraw/zinc/23/12/23/339231223.db2.gz YPRLDQPKZAPFDI-AWEZNQCLSA-N 1 3 314.395 3.712 20 0 DHADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)NCCC[NH+]1CCCC1 ZINC000467311995 339231224 /nfs/dbraw/zinc/23/12/24/339231224.db2.gz YPRLDQPKZAPFDI-AWEZNQCLSA-N 1 3 314.395 3.712 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCN1CCCC1 ZINC000467311996 339231235 /nfs/dbraw/zinc/23/12/35/339231235.db2.gz YPRLDQPKZAPFDI-CQSZACIVSA-N 1 3 314.395 3.712 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)NCCC[NH+]1CCCC1 ZINC000467311996 339231236 /nfs/dbraw/zinc/23/12/36/339231236.db2.gz YPRLDQPKZAPFDI-CQSZACIVSA-N 1 3 314.395 3.712 20 0 DHADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2cccc(F)c2)s1 ZINC000469857219 339302812 /nfs/dbraw/zinc/30/28/12/339302812.db2.gz SLGVESJXSQEIMT-STQMWFEESA-N 1 3 304.434 3.723 20 0 DHADHO C[N@@H+]1CCCC[C@H]1CCN1CCC(COc2ccccc2)CC1 ZINC000472730901 339376703 /nfs/dbraw/zinc/37/67/03/339376703.db2.gz KQQHLHWAEGWYJH-IBGZPJMESA-N 1 3 316.489 3.652 20 0 DHADHO C[N@H+]1CCCC[C@H]1CCN1CCC(COc2ccccc2)CC1 ZINC000472730901 339376704 /nfs/dbraw/zinc/37/67/04/339376704.db2.gz KQQHLHWAEGWYJH-IBGZPJMESA-N 1 3 316.489 3.652 20 0 DHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000474052674 339399390 /nfs/dbraw/zinc/39/93/90/339399390.db2.gz BPTXLAFIQJAIDL-DOXZYTNZSA-N 1 3 316.489 3.880 20 0 DHADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000475208085 339441737 /nfs/dbraw/zinc/44/17/37/339441737.db2.gz IKRIWWKCFZBOGP-DLBZAZTESA-N 1 3 318.505 3.899 20 0 DHADHO C(=C\c1ccncc1)\CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000486933708 339738673 /nfs/dbraw/zinc/73/86/73/339738673.db2.gz AIERBAWWNDQGLO-PLNGDYQASA-N 1 3 321.468 3.871 20 0 DHADHO C[C@H](CN1CC[C@H](C[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500122528 340050638 /nfs/dbraw/zinc/05/06/38/340050638.db2.gz IVRVQDKAILCYRG-ZIAGYGMSSA-N 1 3 314.395 3.692 20 0 DHADHO C[N@H+](CC1CCCCC1)CC1CCN(c2ccncc2)CC1 ZINC000501023653 340072608 /nfs/dbraw/zinc/07/26/08/340072608.db2.gz UHEOBYZUSSCGCO-UHFFFAOYSA-N 1 3 301.478 3.810 20 0 DHADHO C[N@@H+](CC1CCCCC1)CC1CCN(c2ccncc2)CC1 ZINC000501023653 340072609 /nfs/dbraw/zinc/07/26/09/340072609.db2.gz UHEOBYZUSSCGCO-UHFFFAOYSA-N 1 3 301.478 3.810 20 0 DHADHO C[C@H](C[NH+]1CCC(N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501101161 340074375 /nfs/dbraw/zinc/07/43/75/340074375.db2.gz MJLJHSZQOPMVOD-CYBMUJFWSA-N 1 3 314.395 3.835 20 0 DHADHO COc1cc([C@@H](C)NCCCC[NH+]2CCC(C)CC2)ccc1F ZINC000504899839 340155355 /nfs/dbraw/zinc/15/53/55/340155355.db2.gz NFXHIRNIVVHHPU-MRXNPFEDSA-N 1 3 322.468 3.997 20 0 DHADHO Cc1cc(CNCc2cccc(C[NH+]3CCCC3)c2)cc(C)c1O ZINC000506336103 340192575 /nfs/dbraw/zinc/19/25/75/340192575.db2.gz BXWJPRMMRLIZBG-UHFFFAOYSA-N 1 3 324.468 3.895 20 0 DHADHO CCC[C@@H](C)[N@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000507000976 340205142 /nfs/dbraw/zinc/20/51/42/340205142.db2.gz GTXYPMBMFADAKX-QGZVFWFLSA-N 1 3 317.521 3.837 20 0 DHADHO CCC[C@@H](C)[N@@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000507000976 340205143 /nfs/dbraw/zinc/20/51/43/340205143.db2.gz GTXYPMBMFADAKX-QGZVFWFLSA-N 1 3 317.521 3.837 20 0 DHADHO CC[C@H](C)C[N@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000509401932 340268383 /nfs/dbraw/zinc/26/83/83/340268383.db2.gz VAYZLNPZVQFYCX-KRWDZBQOSA-N 1 3 317.521 3.695 20 0 DHADHO CC[C@H](C)C[N@@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000509401932 340268384 /nfs/dbraw/zinc/26/83/84/340268384.db2.gz VAYZLNPZVQFYCX-KRWDZBQOSA-N 1 3 317.521 3.695 20 0 DHADHO C[NH+](C)Cc1ccc(CNC/C=C\c2ccc(F)c(F)c2)cc1 ZINC000510207297 340292474 /nfs/dbraw/zinc/29/24/74/340292474.db2.gz DNZOKZHVKMLBEB-ARJAWSKDSA-N 1 3 316.395 3.829 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510753222 340309786 /nfs/dbraw/zinc/30/97/86/340309786.db2.gz QHJQUKAMHNOBOQ-CVEARBPZSA-N 1 3 324.459 3.996 20 0 DHADHO Clc1ccccc1CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000303218054 340313333 /nfs/dbraw/zinc/31/33/33/340313333.db2.gz UKAOISPGJNWUNC-UHFFFAOYSA-N 1 3 306.881 3.690 20 0 DHADHO CCC1(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000512963144 340385772 /nfs/dbraw/zinc/38/57/72/340385772.db2.gz AFZWKIPYFKUOTN-HKUYNNGSSA-N 1 3 322.537 3.826 20 0 DHADHO CCCC(O)(CCC)CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000513224864 340398136 /nfs/dbraw/zinc/39/81/36/340398136.db2.gz WOLBGBJITFLHNR-HKUYNNGSSA-N 1 3 324.553 3.950 20 0 DHADHO CCCC(O)(CCC)C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000513224864 340398137 /nfs/dbraw/zinc/39/81/37/340398137.db2.gz WOLBGBJITFLHNR-HKUYNNGSSA-N 1 3 324.553 3.950 20 0 DHADHO CC1(C)CC(N[C@H]2Cc3ccc(Cl)cc3C2)CC(C)(C)[NH2+]1 ZINC000126466187 340827267 /nfs/dbraw/zinc/82/72/67/340827267.db2.gz IJPHUEQLNGYLJW-HNNXBMFYSA-N 1 3 306.881 3.706 20 0 DHADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C(C)(C)C ZINC000540191782 340922550 /nfs/dbraw/zinc/92/25/50/340922550.db2.gz WUHOLQUJGSMYHE-SFHVURJKSA-N 1 3 317.521 3.613 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCCS1)c1cccc(OCCN(C)C)c1 ZINC000542501426 341010841 /nfs/dbraw/zinc/01/08/41/341010841.db2.gz YSGWPXXNQISBAC-MAUKXSAKSA-N 1 3 322.518 3.563 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000544021517 341066947 /nfs/dbraw/zinc/06/69/47/341066947.db2.gz XBDSHNKRLSLWDH-MJGOQNOKSA-N 1 3 318.480 3.955 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000544021517 341066948 /nfs/dbraw/zinc/06/69/48/341066948.db2.gz XBDSHNKRLSLWDH-MJGOQNOKSA-N 1 3 318.480 3.955 20 0 DHADHO C[C@H](CCc1cccc(F)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000544021517 341066949 /nfs/dbraw/zinc/06/69/49/341066949.db2.gz XBDSHNKRLSLWDH-MJGOQNOKSA-N 1 3 318.480 3.955 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000544021515 341066956 /nfs/dbraw/zinc/06/69/56/341066956.db2.gz XBDSHNKRLSLWDH-HKUYNNGSSA-N 1 3 318.480 3.955 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000544021515 341066957 /nfs/dbraw/zinc/06/69/57/341066957.db2.gz XBDSHNKRLSLWDH-HKUYNNGSSA-N 1 3 318.480 3.955 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000544021515 341066958 /nfs/dbraw/zinc/06/69/58/341066958.db2.gz XBDSHNKRLSLWDH-HKUYNNGSSA-N 1 3 318.480 3.955 20 0 DHADHO Cc1ccc2[nH+]ccc(NC[C@H](c3ccsc3)N(C)C)c2c1 ZINC000546898975 341186118 /nfs/dbraw/zinc/18/61/18/341186118.db2.gz OLIBGYDNLLYEFS-GOSISDBHSA-N 1 3 311.454 3.741 20 0 DHADHO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000237372754 341212661 /nfs/dbraw/zinc/21/26/61/341212661.db2.gz HLFYRDYLZCXTOF-HNNXBMFYSA-N 1 3 300.421 3.608 20 0 DHADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935409 341281478 /nfs/dbraw/zinc/28/14/78/341281478.db2.gz KPMXHBNFOPKRSR-HUUCEWRRSA-N 1 3 318.427 3.915 20 0 DHADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935409 341281479 /nfs/dbraw/zinc/28/14/79/341281479.db2.gz KPMXHBNFOPKRSR-HUUCEWRRSA-N 1 3 318.427 3.915 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(-c3ccccn3)c2)[C@@H](C)C1 ZINC000245801800 341315200 /nfs/dbraw/zinc/31/52/00/341315200.db2.gz XXMJCPZHLNMRFO-LAUBAEHRSA-N 1 3 323.484 3.911 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(-c3ccccn3)c2)[C@@H](C)C1 ZINC000245801800 341315201 /nfs/dbraw/zinc/31/52/01/341315201.db2.gz XXMJCPZHLNMRFO-LAUBAEHRSA-N 1 3 323.484 3.911 20 0 DHADHO Clc1ccccc1C[C@H]([NH2+]CCCN1CCCC1)C1CC1 ZINC000550605940 341319228 /nfs/dbraw/zinc/31/92/28/341319228.db2.gz IGZVVHKTLDBWIZ-SFHVURJKSA-N 1 3 306.881 3.737 20 0 DHADHO COC[C@@H](NCCCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000550881878 341325388 /nfs/dbraw/zinc/32/53/88/341325388.db2.gz FKOPRDQMTRLPQI-GOSISDBHSA-N 1 3 324.896 3.883 20 0 DHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1COc2ccccc2C1 ZINC000551005690 341328996 /nfs/dbraw/zinc/32/89/96/341328996.db2.gz OAIYKKOGDZOGET-FQEVSTJZSA-N 1 3 324.468 3.620 20 0 DHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1COc2ccccc2C1 ZINC000551005690 341328997 /nfs/dbraw/zinc/32/89/97/341328997.db2.gz OAIYKKOGDZOGET-FQEVSTJZSA-N 1 3 324.468 3.620 20 0 DHADHO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1Cl ZINC000551563280 341345655 /nfs/dbraw/zinc/34/56/55/341345655.db2.gz DVEKEISBERUSFH-WOSRLPQWSA-N 1 3 310.869 3.557 20 0 DHADHO CCC1CC([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000551787699 341351491 /nfs/dbraw/zinc/35/14/91/341351491.db2.gz KXWOYEUSUJRGSN-UHFFFAOYSA-N 1 3 316.489 3.685 20 0 DHADHO CC[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1Cl ZINC000247133649 341361277 /nfs/dbraw/zinc/36/12/77/341361277.db2.gz QLUCWJXGDAVNIN-SOUVJXGZSA-N 1 3 310.869 3.570 20 0 DHADHO CC[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1Cl ZINC000247133649 341361278 /nfs/dbraw/zinc/36/12/78/341361278.db2.gz QLUCWJXGDAVNIN-SOUVJXGZSA-N 1 3 310.869 3.570 20 0 DHADHO CC(C)c1ccc(OCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247190219 341362046 /nfs/dbraw/zinc/36/20/46/341362046.db2.gz ZYQPPJXWHDERET-TXPKVOOTSA-N 1 3 304.478 3.507 20 0 DHADHO CC(C)c1ccc(OCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000247190219 341362047 /nfs/dbraw/zinc/36/20/47/341362047.db2.gz ZYQPPJXWHDERET-TXPKVOOTSA-N 1 3 304.478 3.507 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000247254728 341362704 /nfs/dbraw/zinc/36/27/04/341362704.db2.gz ZYOCIYFBPMVVLD-ZIAGYGMSSA-N 1 3 312.404 3.671 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(CCCO2)CC1 ZINC000564388630 341375889 /nfs/dbraw/zinc/37/58/89/341375889.db2.gz BJBHQJJXOAKZJM-IQNGYNMSSA-N 1 3 322.537 3.968 20 0 DHADHO CC[NH+](CC)C[C@H]1CCN([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387044 341376187 /nfs/dbraw/zinc/37/61/87/341376187.db2.gz OQZWNFALQDZWJC-SJLPKXTDSA-N 1 3 306.469 3.811 20 0 DHADHO CCN(CC)C[C@H]1CC[N@@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387044 341376188 /nfs/dbraw/zinc/37/61/88/341376188.db2.gz OQZWNFALQDZWJC-SJLPKXTDSA-N 1 3 306.469 3.811 20 0 DHADHO CCN(CC)C[C@H]1CC[N@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387044 341376189 /nfs/dbraw/zinc/37/61/89/341376189.db2.gz OQZWNFALQDZWJC-SJLPKXTDSA-N 1 3 306.469 3.811 20 0 DHADHO COc1ccc2ccccc2c1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000552357730 341388818 /nfs/dbraw/zinc/38/88/18/341388818.db2.gz OJELFNFEBHNAMF-OAQYLSRUSA-N 1 3 324.468 3.766 20 0 DHADHO COc1ccc2ccccc2c1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000552357730 341388819 /nfs/dbraw/zinc/38/88/19/341388819.db2.gz OJELFNFEBHNAMF-OAQYLSRUSA-N 1 3 324.468 3.766 20 0 DHADHO c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000249082763 341393401 /nfs/dbraw/zinc/39/34/01/341393401.db2.gz HUJDSJOGAXURGY-MJGOQNOKSA-N 1 3 310.441 3.769 20 0 DHADHO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089215648 341402766 /nfs/dbraw/zinc/40/27/66/341402766.db2.gz CIQNGTJFRDCJMM-KKSFZXQISA-N 1 3 321.468 3.821 20 0 DHADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000554347054 341450578 /nfs/dbraw/zinc/45/05/78/341450578.db2.gz GCFCJDDIHHAXTK-QZTJIDSGSA-N 1 3 301.478 3.712 20 0 DHADHO Cc1cc2c(cc1C)[C@@H](NCc1ccc(C[NH3+])cc1)CCCO2 ZINC000564988294 341514382 /nfs/dbraw/zinc/51/43/82/341514382.db2.gz ASJGTWAQOWWCDK-IBGZPJMESA-N 1 3 310.441 3.766 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000568008318 341645271 /nfs/dbraw/zinc/64/52/71/341645271.db2.gz VALQUYPZOHNXEE-MXQNXNAASA-N 1 3 301.478 3.714 20 0 DHADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C[C@H](C)O1 ZINC000580521176 341791261 /nfs/dbraw/zinc/79/12/61/341791261.db2.gz FSYWPLBNTYURLL-QLPKVWCKSA-N 1 3 322.518 3.506 20 0 DHADHO CC(C)(C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)CN1CCCC1 ZINC000337277415 519270320 /nfs/dbraw/zinc/27/03/20/519270320.db2.gz FRMJSVUZZGJCHK-MJGOQNOKSA-N 1 3 315.505 3.819 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337336590 519677976 /nfs/dbraw/zinc/67/79/76/519677976.db2.gz MGANYWAZRPXZBN-GGPKGHCWSA-N 1 3 315.505 3.818 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000337340169 519771161 /nfs/dbraw/zinc/77/11/61/519771161.db2.gz PDSCZWPOIPJOMF-QGZVFWFLSA-N 1 3 304.478 3.576 20 0 DHADHO CC[NH+](CC)Cc1ccc(NCc2cnccc2N(C)C)cc1 ZINC000190384858 520752281 /nfs/dbraw/zinc/75/22/81/520752281.db2.gz JZNZLBRDTWXDRF-UHFFFAOYSA-N 1 3 312.461 3.602 20 0 DHADHO CC[C@@H](NCc1ccc(C[NH+](CC)CC)cc1)c1cnn(C)c1 ZINC000163560605 522874675 /nfs/dbraw/zinc/87/46/75/522874675.db2.gz VVFFXQLQHNQWHM-LJQANCHMSA-N 1 3 314.477 3.503 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC000364897127 523350542 /nfs/dbraw/zinc/35/05/42/523350542.db2.gz RVMJQVZHTJLHSO-UXHICEINSA-N 1 3 316.489 3.542 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)CC1 ZINC000364897127 523350550 /nfs/dbraw/zinc/35/05/50/523350550.db2.gz RVMJQVZHTJLHSO-UXHICEINSA-N 1 3 316.489 3.542 20 0 DHADHO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(CC[C@@H]2CCCO2)CC1 ZINC000364897127 523350560 /nfs/dbraw/zinc/35/05/60/523350560.db2.gz RVMJQVZHTJLHSO-UXHICEINSA-N 1 3 316.489 3.542 20 0 DHADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(CC[C@@H]2CCCO2)CC1 ZINC000364897127 523350570 /nfs/dbraw/zinc/35/05/70/523350570.db2.gz RVMJQVZHTJLHSO-UXHICEINSA-N 1 3 316.489 3.542 20 0 DHADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000173307200 525455620 /nfs/dbraw/zinc/45/56/20/525455620.db2.gz BAVZIURIOBJZMZ-ZDUSSCGKSA-N 1 3 304.384 3.877 20 0 DHADHO CC(C)Oc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000285470140 535037723 /nfs/dbraw/zinc/03/77/23/535037723.db2.gz KNABQYOMPMJABR-JWTNVVGKSA-N 1 3 302.462 3.531 20 0 DHADHO CC(C)Oc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000285470140 535037727 /nfs/dbraw/zinc/03/77/27/535037727.db2.gz KNABQYOMPMJABR-JWTNVVGKSA-N 1 3 302.462 3.531 20 0 DHADHO CCS[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297634772 535707766 /nfs/dbraw/zinc/70/77/66/535707766.db2.gz MFCSNJRKTKJOTG-QZTJIDSGSA-N 1 3 319.518 3.704 20 0 DHADHO CN(C)Cc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000340200228 536011621 /nfs/dbraw/zinc/01/16/21/536011621.db2.gz XZTKXNGSHJPPLZ-UHFFFAOYSA-N 1 3 323.484 3.507 20 0 DHADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000289295330 537020699 /nfs/dbraw/zinc/02/06/99/537020699.db2.gz RMPXZTGBKGFVIF-INIZCTEOSA-N 1 3 320.452 3.674 20 0 DHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1Cc2ccccc2C1 ZINC001209322543 1013162739 /nfs/dbraw/zinc/16/27/39/1013162739.db2.gz MVAFEIRDYXDCNV-SFTDATJTSA-N 1 3 312.501 3.740 20 0 DHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1Cc2ccccc2C1 ZINC001209322543 1013162746 /nfs/dbraw/zinc/16/27/46/1013162746.db2.gz MVAFEIRDYXDCNV-SFTDATJTSA-N 1 3 312.501 3.740 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000037643907 1013201802 /nfs/dbraw/zinc/20/18/02/1013201802.db2.gz ZEUVYHUCROTTOA-QWHCGFSZSA-N 1 3 300.368 3.698 20 0 DHADHO Clc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167964497 1013216263 /nfs/dbraw/zinc/21/62/63/1013216263.db2.gz RHQPBJKTJZYDBR-YQQQUEKLSA-N 1 3 318.892 3.878 20 0 DHADHO Clc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167964497 1013216267 /nfs/dbraw/zinc/21/62/67/1013216267.db2.gz RHQPBJKTJZYDBR-YQQQUEKLSA-N 1 3 318.892 3.878 20 0 DHADHO C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000076443261 1013318233 /nfs/dbraw/zinc/31/82/33/1013318233.db2.gz ZLDNVMBLOKWFDM-AZUAARDMSA-N 1 3 308.469 3.902 20 0 DHADHO C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000076443261 1013318240 /nfs/dbraw/zinc/31/82/40/1013318240.db2.gz ZLDNVMBLOKWFDM-AZUAARDMSA-N 1 3 308.469 3.902 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000076443261 1013318250 /nfs/dbraw/zinc/31/82/50/1013318250.db2.gz ZLDNVMBLOKWFDM-AZUAARDMSA-N 1 3 308.469 3.902 20 0 DHADHO COc1ccc([C@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000076446295 1013318964 /nfs/dbraw/zinc/31/89/64/1013318964.db2.gz WXTMRIOZBHLDRX-PKOBYXMFSA-N 1 3 324.468 3.868 20 0 DHADHO COc1ccc([C@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076446295 1013318973 /nfs/dbraw/zinc/31/89/73/1013318973.db2.gz WXTMRIOZBHLDRX-PKOBYXMFSA-N 1 3 324.468 3.868 20 0 DHADHO CO[C@H](CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CCCC1 ZINC001167256307 1013452399 /nfs/dbraw/zinc/45/23/99/1013452399.db2.gz VWDCBDNDQDVNHE-UYAOXDASSA-N 1 3 322.537 3.636 20 0 DHADHO CC(C)c1cccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655756606 1013691703 /nfs/dbraw/zinc/69/17/03/1013691703.db2.gz HNEPTROQFFDZHD-HXUWFJFHSA-N 1 3 316.489 3.543 20 0 DHADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1csc(-c2ccccc2)n1 ZINC000655803842 1013728285 /nfs/dbraw/zinc/72/82/85/1013728285.db2.gz DZLAUDUQUZTMSH-FMKPAKJESA-N 1 3 315.486 3.801 20 0 DHADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441397490 1013734220 /nfs/dbraw/zinc/73/42/20/1013734220.db2.gz WRKRSRVYEOJGBC-JYBIWHBTSA-N 1 3 320.521 3.530 20 0 DHADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441397490 1013734224 /nfs/dbraw/zinc/73/42/24/1013734224.db2.gz WRKRSRVYEOJGBC-JYBIWHBTSA-N 1 3 320.521 3.530 20 0 DHADHO C[C@H](c1c(F)cccc1F)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978272 1013787274 /nfs/dbraw/zinc/78/72/74/1013787274.db2.gz PFJCDUBHZGRCOL-ILXRZTDVSA-N 1 3 308.416 3.737 20 0 DHADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000423369557 1021188164 /nfs/dbraw/zinc/18/81/64/1021188164.db2.gz FDTWQUIKYWXKLR-ILXRZTDVSA-N 1 3 311.267 3.760 20 0 DHADHO C[NH+]1CCC(CCNCc2cc(Cl)sc2Cl)CC1 ZINC000312626477 1013939180 /nfs/dbraw/zinc/93/91/80/1013939180.db2.gz OXFKUJFVWDJUNZ-UHFFFAOYSA-N 1 3 307.290 3.876 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000656200616 1014105883 /nfs/dbraw/zinc/10/58/83/1014105883.db2.gz BGXAAWZWVCIGRP-NWDGAFQWSA-N 1 3 311.420 3.713 20 0 DHADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000926113315 1014226397 /nfs/dbraw/zinc/22/63/97/1014226397.db2.gz FGFULUYACLONAW-OAHLLOKOSA-N 1 3 313.445 3.724 20 0 DHADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCCN(C2CCC2)C1 ZINC000926119577 1014326839 /nfs/dbraw/zinc/32/68/39/1014326839.db2.gz MOFZAZVHIFUWLH-XILPPMENSA-N 1 3 308.535 3.656 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccn2C)C[C@H](C)N1Cc1ccccc1 ZINC001168004860 1014379136 /nfs/dbraw/zinc/37/91/36/1014379136.db2.gz ASVIFKYLESCNSZ-IZZQQSIFSA-N 1 3 311.473 3.556 20 0 DHADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC2CC2)c(F)c1 ZINC000581200853 1014610432 /nfs/dbraw/zinc/61/04/32/1014610432.db2.gz TURINAYMTOCSTB-MAZHCROVSA-N 1 3 306.425 3.535 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000581205524 1014613251 /nfs/dbraw/zinc/61/32/51/1014613251.db2.gz OQWOXNXFLOKDDF-KFKAGJAMSA-N 1 3 304.478 3.509 20 0 DHADHO C[C@@H](NC(CCC(F)(F)F)CCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000665272910 1014628913 /nfs/dbraw/zinc/62/89/13/1014628913.db2.gz NHGSZIXITKVBRP-MWLCHTKSSA-N 1 3 320.321 3.770 20 0 DHADHO CSc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000581251286 1014653943 /nfs/dbraw/zinc/65/39/43/1014653943.db2.gz KTMUDHRZUHKBQK-JCKWVBRZSA-N 1 3 304.503 3.858 20 0 DHADHO CSc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000581251286 1014653946 /nfs/dbraw/zinc/65/39/46/1014653946.db2.gz KTMUDHRZUHKBQK-JCKWVBRZSA-N 1 3 304.503 3.858 20 0 DHADHO FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+]CC23CC(C2)CN3)c1 ZINC000665280195 1014670334 /nfs/dbraw/zinc/67/03/34/1014670334.db2.gz VKEREEDPCQOCAR-WGMOCZARSA-N 1 3 324.390 3.683 20 0 DHADHO C[C@H](N)c1ncc(-c2ccccc2)n1C1CCC([NH+](C)C)CC1 ZINC001168300272 1032104039 /nfs/dbraw/zinc/10/40/39/1032104039.db2.gz RPNZQYSQFQOVMN-OOHWJJMZSA-N 1 3 312.461 3.615 20 0 DHADHO CCOC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(C)C ZINC000474087544 1014990544 /nfs/dbraw/zinc/99/05/44/1014990544.db2.gz GVERNENUIXMUBL-YTQUADARSA-N 1 3 310.526 3.680 20 0 DHADHO C[C@@H](C[NH2+]C(Cc1ccccc1)Cc1ccccc1)CN(C)C ZINC000323972441 1015058231 /nfs/dbraw/zinc/05/82/31/1015058231.db2.gz HXHXKCQMZAALRT-SFHVURJKSA-N 1 3 310.485 3.628 20 0 DHADHO CC(C)CCCC[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000895346928 1015078428 /nfs/dbraw/zinc/07/84/28/1015078428.db2.gz OOSUSIKQBJBMFF-UHFFFAOYSA-N 1 3 303.494 3.710 20 0 DHADHO CN(CCCC[NH+]1CCCCC1)Cc1ccc(C(F)F)nc1 ZINC000895683679 1015260253 /nfs/dbraw/zinc/26/02/53/1015260253.db2.gz RTAIGRQNWIPURS-UHFFFAOYSA-N 1 3 311.420 3.717 20 0 DHADHO CCC1(N2CCC2)CC[NH+](CC2(CCCOC)CCC2)CC1 ZINC000896059113 1015431076 /nfs/dbraw/zinc/43/10/76/1015431076.db2.gz VOGIHQIWWRPYDM-UHFFFAOYSA-N 1 3 308.510 3.534 20 0 DHADHO CCC1([NH+]2CCC2)CCN(CC2(CCCOC)CCC2)CC1 ZINC000896059113 1015431080 /nfs/dbraw/zinc/43/10/80/1015431080.db2.gz VOGIHQIWWRPYDM-UHFFFAOYSA-N 1 3 308.510 3.534 20 0 DHADHO C[NH+](C)CC1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000891612344 1015446599 /nfs/dbraw/zinc/44/65/99/1015446599.db2.gz WWNDZGSAHJQZMY-UHFFFAOYSA-N 1 3 300.368 3.537 20 0 DHADHO C[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000668511186 1015543419 /nfs/dbraw/zinc/54/34/19/1015543419.db2.gz DACCUNDQVLOZGJ-GOSISDBHSA-N 1 3 323.484 3.687 20 0 DHADHO CCC[N@H+](C)C[C@H]1CCN(CC[C@@H](C)OCc2ccccc2)C1 ZINC000475040110 1015792437 /nfs/dbraw/zinc/79/24/37/1015792437.db2.gz USKNZKCJPZBECP-UYAOXDASSA-N 1 3 318.505 3.646 20 0 DHADHO CCC[N@@H+](C)C[C@H]1CCN(CC[C@@H](C)OCc2ccccc2)C1 ZINC000475040110 1015792445 /nfs/dbraw/zinc/79/24/45/1015792445.db2.gz USKNZKCJPZBECP-UYAOXDASSA-N 1 3 318.505 3.646 20 0 DHADHO CCc1oc2ccccc2c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000535806190 1015834918 /nfs/dbraw/zinc/83/49/18/1015834918.db2.gz KARCCYWQJOKWRL-MAUKXSAKSA-N 1 3 312.457 3.911 20 0 DHADHO CCc1oc2ccccc2c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000535806190 1015834926 /nfs/dbraw/zinc/83/49/26/1015834926.db2.gz KARCCYWQJOKWRL-MAUKXSAKSA-N 1 3 312.457 3.911 20 0 DHADHO CCc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000535806190 1015834933 /nfs/dbraw/zinc/83/49/33/1015834933.db2.gz KARCCYWQJOKWRL-MAUKXSAKSA-N 1 3 312.457 3.911 20 0 DHADHO CCc1oc2ccccc2c1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000535806190 1015834942 /nfs/dbraw/zinc/83/49/42/1015834942.db2.gz KARCCYWQJOKWRL-MAUKXSAKSA-N 1 3 312.457 3.911 20 0 DHADHO C[NH+](C)CC[C@H](NCc1cc2ccncc2s1)C(C)(C)C ZINC000657362876 1016460444 /nfs/dbraw/zinc/46/04/44/1016460444.db2.gz BLMQWGUHDWGMBT-INIZCTEOSA-N 1 3 305.491 3.752 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000281349102 1016468736 /nfs/dbraw/zinc/46/87/36/1016468736.db2.gz VEJVWRGGOMMLOV-HIFRSBDPSA-N 1 3 314.395 3.568 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000281349096 1016468755 /nfs/dbraw/zinc/46/87/55/1016468755.db2.gz VEJVWRGGOMMLOV-DZGCQCFKSA-N 1 3 314.395 3.568 20 0 DHADHO CC(C)n1ccnc1CNC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000657414807 1016689483 /nfs/dbraw/zinc/68/94/83/1016689483.db2.gz CXXZCERBXJLIRB-UHFFFAOYSA-N 1 3 318.509 3.597 20 0 DHADHO C[C@@H](CC[NH2+]Cc1cc2ccncc2s1)N1CCCCC1 ZINC000657433029 1016766857 /nfs/dbraw/zinc/76/68/57/1016766857.db2.gz NACJTMZXESJCPP-AWEZNQCLSA-N 1 3 303.475 3.650 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CN[C@H](CCCOC)c2ccc(F)cc2)C1 ZINC000281954432 1016830190 /nfs/dbraw/zinc/83/01/90/1016830190.db2.gz MHGFXGUNECBGKW-QFBILLFUSA-N 1 3 322.468 3.615 20 0 DHADHO CCC[N@H+]1CC[C@@H](CN[C@H](CCCOC)c2ccc(F)cc2)C1 ZINC000281954432 1016830206 /nfs/dbraw/zinc/83/02/06/1016830206.db2.gz MHGFXGUNECBGKW-QFBILLFUSA-N 1 3 322.468 3.615 20 0 DHADHO Cc1ccccc1C[C@H]([NH2+]C[C@H](C)CN1CCCC1)C1CC1 ZINC000671294814 1016866730 /nfs/dbraw/zinc/86/67/30/1016866730.db2.gz LHYASHJUUGTSIH-JXFKEZNVSA-N 1 3 300.490 3.638 20 0 DHADHO CN1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623337679 1016963847 /nfs/dbraw/zinc/96/38/47/1016963847.db2.gz TVOICSOESDWHPT-CQSZACIVSA-N 1 3 300.368 3.668 20 0 DHADHO COc1ccc([C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623344689 1016976644 /nfs/dbraw/zinc/97/66/44/1016976644.db2.gz ZIVHMVPCGLRFJM-SJLPKXTDSA-N 1 3 302.462 3.609 20 0 DHADHO COc1ccc([C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623344689 1016976649 /nfs/dbraw/zinc/97/66/49/1016976649.db2.gz ZIVHMVPCGLRFJM-SJLPKXTDSA-N 1 3 302.462 3.609 20 0 DHADHO Cc1cccc(C)c1OC[C@@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623374782 1017006485 /nfs/dbraw/zinc/00/64/85/1017006485.db2.gz OQGPPTVNSPRZBH-SJORKVTESA-N 1 3 304.478 3.533 20 0 DHADHO Cc1cccc(C)c1OC[C@@H](C)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623374782 1017006473 /nfs/dbraw/zinc/00/64/73/1017006473.db2.gz OQGPPTVNSPRZBH-SJORKVTESA-N 1 3 304.478 3.533 20 0 DHADHO CC[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1C ZINC000623440829 1017048949 /nfs/dbraw/zinc/04/89/49/1017048949.db2.gz MODUMLIHXMVZDG-SJORKVTESA-N 1 3 304.478 3.615 20 0 DHADHO CC[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccccc1C ZINC000623440829 1017048962 /nfs/dbraw/zinc/04/89/62/1017048962.db2.gz MODUMLIHXMVZDG-SJORKVTESA-N 1 3 304.478 3.615 20 0 DHADHO CC[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(C)c1 ZINC000623440721 1017050680 /nfs/dbraw/zinc/05/06/80/1017050680.db2.gz HRMJJCKPXKVKBU-SJORKVTESA-N 1 3 304.478 3.615 20 0 DHADHO CC[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Oc1cccc(C)c1 ZINC000623440721 1017050692 /nfs/dbraw/zinc/05/06/92/1017050692.db2.gz HRMJJCKPXKVKBU-SJORKVTESA-N 1 3 304.478 3.615 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1(C)C ZINC000623471802 1032248932 /nfs/dbraw/zinc/24/89/32/1032248932.db2.gz UDHGFRPYJXFCCD-WDSOQIARSA-N 1 3 316.489 3.617 20 0 DHADHO C[N@H+]1CC[C@H](N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1(C)C ZINC000623471802 1032248942 /nfs/dbraw/zinc/24/89/42/1032248942.db2.gz UDHGFRPYJXFCCD-WDSOQIARSA-N 1 3 316.489 3.617 20 0 DHADHO CN1CC[C@@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC1(C)C ZINC000623496357 1017079882 /nfs/dbraw/zinc/07/98/82/1017079882.db2.gz RXGRMNIYHOXPTJ-CABCVRRESA-N 1 3 314.395 3.795 20 0 DHADHO COc1ccc2cc([C@H](C)NC[C@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000121216624 1032428597 /nfs/dbraw/zinc/42/85/97/1032428597.db2.gz KKZFOSXLKDZUCE-JKSUJKDBSA-N 1 3 312.457 3.841 20 0 DHADHO COc1ccc2cc([C@H](C)NC[C@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000121216624 1032428604 /nfs/dbraw/zinc/42/86/04/1032428604.db2.gz KKZFOSXLKDZUCE-JKSUJKDBSA-N 1 3 312.457 3.841 20 0 DHADHO COC1([C@@H](C)[NH2+]C2CCN(CC3CCCCC3)CC2)CCC1 ZINC000840882819 1017306498 /nfs/dbraw/zinc/30/64/98/1017306498.db2.gz CDSPHDGPJWALPS-MRXNPFEDSA-N 1 3 308.510 3.578 20 0 DHADHO COC1([C@@H](C)NC2CC[NH+](CC3CCCCC3)CC2)CCC1 ZINC000840882819 1017306516 /nfs/dbraw/zinc/30/65/16/1017306516.db2.gz CDSPHDGPJWALPS-MRXNPFEDSA-N 1 3 308.510 3.578 20 0 DHADHO C(C1CCCCC1)N1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000773082483 1032550992 /nfs/dbraw/zinc/55/09/92/1032550992.db2.gz WJTUICQNSUAINC-IBGZPJMESA-N 1 3 320.521 3.722 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000414907629 1012021664 /nfs/dbraw/zinc/02/16/64/1012021664.db2.gz AUCRYIIHMNRLTF-CHWSQXEVSA-N 1 3 306.759 3.718 20 0 DHADHO Fc1cccc2c1CC[C@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001171405890 1032595988 /nfs/dbraw/zinc/59/59/88/1032595988.db2.gz BPMNOWGPQBPZAW-KRWDZBQOSA-N 1 3 316.464 3.680 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000517168225 1012922808 /nfs/dbraw/zinc/92/28/08/1012922808.db2.gz UVWYJXUKTHLQDI-MAUKXSAKSA-N 1 3 310.441 3.674 20 0 DHADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1Cl ZINC000425945897 1012991810 /nfs/dbraw/zinc/99/18/10/1012991810.db2.gz MNYKEHPCMDEADM-ZIAGYGMSSA-N 1 3 312.885 3.976 20 0 DHADHO CC[C@@H](OCCN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623558808 1017110642 /nfs/dbraw/zinc/11/06/42/1017110642.db2.gz JOPDUASCNYTHBK-ZWKOTPCHSA-N 1 3 304.478 3.617 20 0 DHADHO CC[C@@H](OCCN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623558808 1017110649 /nfs/dbraw/zinc/11/06/49/1017110649.db2.gz JOPDUASCNYTHBK-ZWKOTPCHSA-N 1 3 304.478 3.617 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000623656257 1017155750 /nfs/dbraw/zinc/15/57/50/1017155750.db2.gz QJFLMKVIZFCBAQ-AWEZNQCLSA-N 1 3 317.864 3.710 20 0 DHADHO C[C@@H]1CC(N(C)[C@H]2CCCOC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063587 1017194933 /nfs/dbraw/zinc/19/49/33/1017194933.db2.gz CTRQEXMTAGDSBY-LMMKCTJWSA-N 1 3 316.489 3.539 20 0 DHADHO C[C@H](Cc1ccco1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716649015 1032699096 /nfs/dbraw/zinc/69/90/96/1032699096.db2.gz HMOMHMDBSITWOK-GTAWCEEGSA-N 1 3 324.468 3.853 20 0 DHADHO c1ccc(SC2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339068625 1017533317 /nfs/dbraw/zinc/53/33/17/1017533317.db2.gz RVDDNQVUVXLEKJ-HOTGVXAUSA-N 1 3 302.487 3.528 20 0 DHADHO c1ccc(SC2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339068625 1017533331 /nfs/dbraw/zinc/53/33/31/1017533331.db2.gz RVDDNQVUVXLEKJ-HOTGVXAUSA-N 1 3 302.487 3.528 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2C(F)(F)F)C1 ZINC000623867162 1017555830 /nfs/dbraw/zinc/55/58/30/1017555830.db2.gz SAOVKKFJKURKPX-NEPJUHHUSA-N 1 3 318.358 3.837 20 0 DHADHO C(=C\c1ccccc1)\C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657611986 1017570344 /nfs/dbraw/zinc/57/03/44/1017570344.db2.gz HMUMAEBSZCKVFL-DAXSKMNVSA-N 1 3 321.468 3.597 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCCCN[C@H]1CCc2ccc(Cl)nc21 ZINC000857902877 1032709089 /nfs/dbraw/zinc/70/90/89/1032709089.db2.gz WOXQMZIAYDLASL-HOCLYGCPSA-N 1 3 321.896 3.967 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCCCN[C@H]1CCc2ccc(Cl)nc21 ZINC000857902877 1032709106 /nfs/dbraw/zinc/70/91/06/1032709106.db2.gz WOXQMZIAYDLASL-HOCLYGCPSA-N 1 3 321.896 3.967 20 0 DHADHO C[C@H]1CCCC[C@@H]1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613846 1017582902 /nfs/dbraw/zinc/58/29/02/1017582902.db2.gz TYVYUHNXFNOKTN-FXAWDEMLSA-N 1 3 315.505 3.710 20 0 DHADHO COCC[N@H+](CCCN1CCCCC1)[C@@H](C)c1ccccc1 ZINC000444584815 1017585286 /nfs/dbraw/zinc/58/52/86/1017585286.db2.gz VSKUYILQZHMFQG-SFHVURJKSA-N 1 3 304.478 3.572 20 0 DHADHO COCC[N@@H+](CCCN1CCCCC1)[C@@H](C)c1ccccc1 ZINC000444584815 1017585297 /nfs/dbraw/zinc/58/52/97/1017585297.db2.gz VSKUYILQZHMFQG-SFHVURJKSA-N 1 3 304.478 3.572 20 0 DHADHO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCN1CCCCC1 ZINC000444609213 1017587562 /nfs/dbraw/zinc/58/75/62/1017587562.db2.gz ASKZHLRLIYHQCX-QAPCUYQASA-N 1 3 324.896 3.882 20 0 DHADHO CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624122625 1017694633 /nfs/dbraw/zinc/69/46/33/1017694633.db2.gz XACLEWUHLNZWSJ-HOTGVXAUSA-N 1 3 306.519 3.661 20 0 DHADHO COc1ccc([C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C(C)C)cc1 ZINC000624122713 1017695435 /nfs/dbraw/zinc/69/54/35/1017695435.db2.gz ZKAXYJLGMCPRKX-QFBILLFUSA-N 1 3 304.478 3.714 20 0 DHADHO COc1ccc([C@H](NC[C@@H]2CCCC[N@H+](C)C2)C(C)C)cc1 ZINC000624122713 1017695439 /nfs/dbraw/zinc/69/54/39/1017695439.db2.gz ZKAXYJLGMCPRKX-QFBILLFUSA-N 1 3 304.478 3.714 20 0 DHADHO COc1ccc([C@H](NC[C@@H]2CCCC[N@@H+](C)C2)C(C)C)cc1 ZINC000624122713 1017695444 /nfs/dbraw/zinc/69/54/44/1017695444.db2.gz ZKAXYJLGMCPRKX-QFBILLFUSA-N 1 3 304.478 3.714 20 0 DHADHO COc1ccc2c(c1)[C@@H](NCc1cccc(C[NH+](C)C)c1)CC2 ZINC000123625274 1018094846 /nfs/dbraw/zinc/09/48/46/1018094846.db2.gz QGLAMOOHDYHPPN-FQEVSTJZSA-N 1 3 310.441 3.534 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](COCc2ccccc2)C(C)C)C1 ZINC000446741914 1018231229 /nfs/dbraw/zinc/23/12/29/1018231229.db2.gz CRMYFERMXXKPRY-UXHICEINSA-N 1 3 318.505 3.549 20 0 DHADHO C/C(=C/c1ccccc1)C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000525484851 1018301685 /nfs/dbraw/zinc/30/16/85/1018301685.db2.gz UORHHANKWSGQFX-SXTSRPLYSA-N 1 3 316.489 3.569 20 0 DHADHO CCC[NH+]1CCC(NC[C@H](Nc2ccccc2)C(C)C)CC1 ZINC000154113711 1018572773 /nfs/dbraw/zinc/57/27/73/1018572773.db2.gz QGUSPQQRPKTPAS-IBGZPJMESA-N 1 3 303.494 3.587 20 0 DHADHO CCCN1CCC([NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 ZINC000675784680 1018590497 /nfs/dbraw/zinc/59/04/97/1018590497.db2.gz PFUUOTLPYBPFIL-RBUKOAKNSA-N 1 3 320.452 3.510 20 0 DHADHO CCC[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833741 1018605874 /nfs/dbraw/zinc/60/58/74/1018605874.db2.gz OKVWKMJEZQUWII-IEBWSBKVSA-N 1 3 302.462 3.610 20 0 DHADHO CCC[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833741 1018605876 /nfs/dbraw/zinc/60/58/76/1018605876.db2.gz OKVWKMJEZQUWII-IEBWSBKVSA-N 1 3 302.462 3.610 20 0 DHADHO CCc1nc(C)c([C@H](C)NCc2ccccc2C[NH2+]C)s1 ZINC000650757842 1018691425 /nfs/dbraw/zinc/69/14/25/1018691425.db2.gz BZHXHPNIHQUSCU-LBPRGKRZSA-N 1 3 303.475 3.584 20 0 DHADHO COc1ccc2c(c1)nccc2NC1CC[NH+](CC(C)C)CC1 ZINC000765460285 1018795492 /nfs/dbraw/zinc/79/54/92/1018795492.db2.gz HNKFZCIKWMARKY-UHFFFAOYSA-N 1 3 313.445 3.776 20 0 DHADHO COC[C@H](CC(C)C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000765454049 1018797254 /nfs/dbraw/zinc/79/72/54/1018797254.db2.gz XZHHUQKVRAZHHD-IBGZPJMESA-N 1 3 310.526 3.682 20 0 DHADHO COC[C@H](CC(C)C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000765454049 1018797263 /nfs/dbraw/zinc/79/72/63/1018797263.db2.gz XZHHUQKVRAZHHD-IBGZPJMESA-N 1 3 310.526 3.682 20 0 DHADHO CC(C)Oc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000263821041 1032791564 /nfs/dbraw/zinc/79/15/64/1032791564.db2.gz QDOXHYUQFGCZNT-UHFFFAOYSA-N 1 3 304.478 3.778 20 0 DHADHO CC(C)Oc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000263821041 1032791580 /nfs/dbraw/zinc/79/15/80/1032791580.db2.gz QDOXHYUQFGCZNT-UHFFFAOYSA-N 1 3 304.478 3.778 20 0 DHADHO CCC[NH+]1CCC(N[C@@H](C)c2cc3ccncc3s2)CC1 ZINC000657823067 1018906859 /nfs/dbraw/zinc/90/68/59/1018906859.db2.gz HVXNOKOOPMXTCK-ZDUSSCGKSA-N 1 3 303.475 3.821 20 0 DHADHO Cc1cnc(Cl)c(CNC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000921822347 1018909633 /nfs/dbraw/zinc/90/96/33/1018909633.db2.gz GWVMFOLEUWYHBD-UHFFFAOYSA-N 1 3 321.896 3.930 20 0 DHADHO CN1C(C)(C)CC([NH2+]C2([C@@H]3CCOC(C)(C)C3)CC2)CC1(C)C ZINC001171629487 1032795894 /nfs/dbraw/zinc/79/58/94/1032795894.db2.gz SVXIKFPJQRCYEI-OAHLLOKOSA-N 1 3 322.537 3.965 20 0 DHADHO CCC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccccc1 ZINC000159042604 1018985681 /nfs/dbraw/zinc/98/56/81/1018985681.db2.gz JXMOUFTUGDMYMH-LJQANCHMSA-N 1 3 304.478 3.618 20 0 DHADHO C[NH+]1C(C)(C)CC(NCCc2c(F)cccc2F)CC1(C)C ZINC001171625074 1032805982 /nfs/dbraw/zinc/80/59/82/1032805982.db2.gz AVGGKFCGUMJFPL-UHFFFAOYSA-N 1 3 310.432 3.748 20 0 DHADHO C[C@H](Cc1cccc(O)c1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171626032 1032806395 /nfs/dbraw/zinc/80/63/95/1032806395.db2.gz STIMRIOLQYZRAH-CQSZACIVSA-N 1 3 304.478 3.564 20 0 DHADHO COc1ccc2c(c1)CC[C@H]2[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171625519 1032807882 /nfs/dbraw/zinc/80/78/82/1032807882.db2.gz KTFZNGOGCUXEIU-GOSISDBHSA-N 1 3 316.489 3.924 20 0 DHADHO CC[C@H](CN[C@@H]1CCCc2cc(OC)ccc21)[NH+]1CCCC1 ZINC000347919617 1019194859 /nfs/dbraw/zinc/19/48/59/1019194859.db2.gz JYAZZDCSJUHDRM-VQIMIIECSA-N 1 3 302.462 3.537 20 0 DHADHO Cc1ccccc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708538854 1019254375 /nfs/dbraw/zinc/25/43/75/1019254375.db2.gz IGEOKYILPHQRAA-WIYYLYMNSA-N 1 3 308.469 3.853 20 0 DHADHO Cc1ccccc1CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708538854 1019254395 /nfs/dbraw/zinc/25/43/95/1019254395.db2.gz IGEOKYILPHQRAA-WIYYLYMNSA-N 1 3 308.469 3.853 20 0 DHADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000708538854 1019254405 /nfs/dbraw/zinc/25/44/05/1019254405.db2.gz IGEOKYILPHQRAA-WIYYLYMNSA-N 1 3 308.469 3.853 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](c3ccccn3)C2)CC1(C)C ZINC001171637848 1032834171 /nfs/dbraw/zinc/83/41/71/1032834171.db2.gz PXLVNGGDOOJJFJ-OAHLLOKOSA-N 1 3 301.478 3.522 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](c3ccccn3)C2)CC1(C)C ZINC001171637848 1032834188 /nfs/dbraw/zinc/83/41/88/1032834188.db2.gz PXLVNGGDOOJJFJ-OAHLLOKOSA-N 1 3 301.478 3.522 20 0 DHADHO CCC[N@H+](CCc1ccccn1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171642442 1032839628 /nfs/dbraw/zinc/83/96/28/1032839628.db2.gz JXSDHJBLVFMZLA-UHFFFAOYSA-N 1 3 317.521 3.988 20 0 DHADHO CCC[N@@H+](CCc1ccccn1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171642442 1032839635 /nfs/dbraw/zinc/83/96/35/1032839635.db2.gz JXSDHJBLVFMZLA-UHFFFAOYSA-N 1 3 317.521 3.988 20 0 DHADHO C[C@@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000858357979 1032862126 /nfs/dbraw/zinc/86/21/26/1032862126.db2.gz LLJGZTXJUTZFRQ-APWZRJJASA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000858357979 1032862140 /nfs/dbraw/zinc/86/21/40/1032862140.db2.gz LLJGZTXJUTZFRQ-APWZRJJASA-N 1 3 308.510 3.578 20 0 DHADHO Cc1csc([C@H](C)NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000858369340 1032863265 /nfs/dbraw/zinc/86/32/65/1032863265.db2.gz HNYZKXSIFULJES-FHERZECASA-N 1 3 307.507 3.899 20 0 DHADHO CC(C)[NH+]1CCC(CCNCc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000922305286 1019982028 /nfs/dbraw/zinc/98/20/28/1019982028.db2.gz ZJJWYSLWDCIYMP-UHFFFAOYSA-N 1 3 324.900 3.541 20 0 DHADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731677870 1020136900 /nfs/dbraw/zinc/13/69/00/1020136900.db2.gz ANQILGFJGGHZHE-KRWDZBQOSA-N 1 3 316.489 3.612 20 0 DHADHO CC1(C)CCc2cc(C[NH2+]CCCN3CCCCC3)ccc2O1 ZINC000731675188 1020138060 /nfs/dbraw/zinc/13/80/60/1020138060.db2.gz NJMAYNSYRIEXLH-UHFFFAOYSA-N 1 3 316.489 3.756 20 0 DHADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166071 1020198643 /nfs/dbraw/zinc/19/86/43/1020198643.db2.gz MGWTUILTCMPOIW-VQTJNVASSA-N 1 3 315.505 3.708 20 0 DHADHO CCCC[C@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166861 1020200521 /nfs/dbraw/zinc/20/05/21/1020200521.db2.gz QGSBEBVZQSCMJH-IBGZPJMESA-N 1 3 303.494 3.852 20 0 DHADHO CO[C@H](CNC1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000658330453 1020293791 /nfs/dbraw/zinc/29/37/91/1020293791.db2.gz RXSBXGLNEUNCJP-LJQANCHMSA-N 1 3 308.510 3.578 20 0 DHADHO CO[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)C1CCCCC1 ZINC000658330453 1020293799 /nfs/dbraw/zinc/29/37/99/1020293799.db2.gz RXSBXGLNEUNCJP-LJQANCHMSA-N 1 3 308.510 3.578 20 0 DHADHO CN1CCCC[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000623657117 1020341951 /nfs/dbraw/zinc/34/19/51/1020341951.db2.gz KBRDWHCDRUTNIG-SHARSMKWSA-N 1 3 306.416 3.677 20 0 DHADHO COc1ccc2c(c1Cl)[C@@H](NCC1=CC[N@H+](C)CC1)CCC2 ZINC000903130594 1020354562 /nfs/dbraw/zinc/35/45/62/1020354562.db2.gz DJVKOYRXOKHULS-HNNXBMFYSA-N 1 3 320.864 3.578 20 0 DHADHO COc1ccc2c(c1Cl)[C@@H](NCC1=CC[N@@H+](C)CC1)CCC2 ZINC000903130594 1020354569 /nfs/dbraw/zinc/35/45/69/1020354569.db2.gz DJVKOYRXOKHULS-HNNXBMFYSA-N 1 3 320.864 3.578 20 0 DHADHO COCc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000340172230 1020369985 /nfs/dbraw/zinc/36/99/85/1020369985.db2.gz QVPNFYBZFCVNQO-NHCUHLMSSA-N 1 3 324.468 3.758 20 0 DHADHO COCc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000340172230 1020369995 /nfs/dbraw/zinc/36/99/95/1020369995.db2.gz QVPNFYBZFCVNQO-NHCUHLMSSA-N 1 3 324.468 3.758 20 0 DHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171808040 1032896649 /nfs/dbraw/zinc/89/66/49/1032896649.db2.gz XIWMFQAFUWDOPH-OKZBNKHCSA-N 1 3 316.464 3.632 20 0 DHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171808040 1032896655 /nfs/dbraw/zinc/89/66/55/1032896655.db2.gz XIWMFQAFUWDOPH-OKZBNKHCSA-N 1 3 316.464 3.632 20 0 DHADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@@H]1Cc2cccc(F)c2C1 ZINC001171808040 1032896661 /nfs/dbraw/zinc/89/66/61/1032896661.db2.gz XIWMFQAFUWDOPH-OKZBNKHCSA-N 1 3 316.464 3.632 20 0 DHADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@@H]1Cc2cccc(F)c2C1 ZINC001171808040 1032896673 /nfs/dbraw/zinc/89/66/73/1032896673.db2.gz XIWMFQAFUWDOPH-OKZBNKHCSA-N 1 3 316.464 3.632 20 0 DHADHO C[C@H]1C[C@@H](N(C)CCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000172574331 1020531183 /nfs/dbraw/zinc/53/11/83/1020531183.db2.gz VWXXEDZIFKGDRJ-RXVVDRJESA-N 1 3 323.484 3.609 20 0 DHADHO C[C@H]1C[C@@H](N(C)CCc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000172574331 1020531192 /nfs/dbraw/zinc/53/11/92/1020531192.db2.gz VWXXEDZIFKGDRJ-RXVVDRJESA-N 1 3 323.484 3.609 20 0 DHADHO c1ccc(CN2CC[C@H](C[NH2+][C@@H]3CCCc4cccnc43)C2)cc1 ZINC000310090675 1020764164 /nfs/dbraw/zinc/76/41/64/1020764164.db2.gz QWGHUECBAIYYAN-UYAOXDASSA-N 1 3 321.468 3.571 20 0 DHADHO C[C@@H](N)c1nccn1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967308 1032939204 /nfs/dbraw/zinc/93/92/04/1032939204.db2.gz YYRBHWQWHOCQIN-NVXWUHKLSA-N 1 3 312.461 3.519 20 0 DHADHO C[C@@H](N)c1nccn1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967308 1032939245 /nfs/dbraw/zinc/93/92/45/1032939245.db2.gz YYRBHWQWHOCQIN-NVXWUHKLSA-N 1 3 312.461 3.519 20 0 DHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261916848 1020904576 /nfs/dbraw/zinc/90/45/76/1020904576.db2.gz HCYMMGBEWBSLMY-OUCADQQQSA-N 1 3 316.367 3.705 20 0 DHADHO CCC[NH+]1CCC(NCC2(c3c(F)cccc3F)CCC2)CC1 ZINC000414228561 1021015190 /nfs/dbraw/zinc/01/51/90/1021015190.db2.gz DMZDHPUSKWUACR-UHFFFAOYSA-N 1 3 322.443 3.851 20 0 DHADHO CO[C@@](C)([C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C1CC1 ZINC000414240584 1021024102 /nfs/dbraw/zinc/02/41/02/1021024102.db2.gz NNSCCXOROXWHFJ-GJJHYRHESA-N 1 3 322.537 3.823 20 0 DHADHO Cc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1C(F)(F)F ZINC000414274776 1021053833 /nfs/dbraw/zinc/05/38/33/1021053833.db2.gz QKLUBKJEUWQDMV-CQSZACIVSA-N 1 3 312.379 3.588 20 0 DHADHO N[C@@H]1C[C@H]([NH2+]C2(CCOCc3ccccc3)CC2)c2ccccc21 ZINC000423023870 1021085254 /nfs/dbraw/zinc/08/52/54/1021085254.db2.gz IIOQRXQOLRMVOF-UXHICEINSA-N 1 3 322.452 3.860 20 0 DHADHO N[C@@H]1C[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)c2ccccc21 ZINC000423023872 1021085755 /nfs/dbraw/zinc/08/57/55/1021085755.db2.gz IIOQRXQOLRMVOF-WOJBJXKFSA-N 1 3 322.452 3.860 20 0 DHADHO Cc1n[nH]cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180517611 1021134838 /nfs/dbraw/zinc/13/48/38/1021134838.db2.gz FTUDBFYWSDCAKU-AQXGTKIOSA-N 1 3 324.472 3.564 20 0 DHADHO COc1cccc(CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000057889138 1021150418 /nfs/dbraw/zinc/15/04/18/1021150418.db2.gz NNVQZVFKDCXQRW-UHFFFAOYSA-N 1 3 316.489 3.783 20 0 DHADHO Cc1cc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)sc1Br ZINC000423380345 1021194083 /nfs/dbraw/zinc/19/40/83/1021194083.db2.gz YLBPZMLVDCAUDV-GARJFASQSA-N 1 3 317.296 3.740 20 0 DHADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)c2cccc(Br)c21 ZINC000423407304 1021197375 /nfs/dbraw/zinc/19/73/75/1021197375.db2.gz ZTNMGWTURHDFSB-ZAZJYDDPSA-N 1 3 323.278 3.857 20 0 DHADHO C[C@@H](N)c1ccn([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982722 1032967596 /nfs/dbraw/zinc/96/75/96/1032967596.db2.gz KGZUSGYBEAFFMO-WBVHZDCISA-N 1 3 312.461 3.519 20 0 DHADHO C[C@@H](N)c1ccn([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982722 1032967601 /nfs/dbraw/zinc/96/76/01/1032967601.db2.gz KGZUSGYBEAFFMO-WBVHZDCISA-N 1 3 312.461 3.519 20 0 DHADHO CC[C@H]1COCC[N@@H+]1[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984037 1032968257 /nfs/dbraw/zinc/96/82/57/1032968257.db2.gz BWGVMYWZESCMLT-RBUKOAKNSA-N 1 3 316.489 3.540 20 0 DHADHO CC[C@H]1COCC[N@H+]1[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984037 1032968266 /nfs/dbraw/zinc/96/82/66/1032968266.db2.gz BWGVMYWZESCMLT-RBUKOAKNSA-N 1 3 316.489 3.540 20 0 DHADHO CSCCN(C)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986990 1032969919 /nfs/dbraw/zinc/96/99/19/1032969919.db2.gz OGOJBKBLEACURF-KRWDZBQOSA-N 1 3 306.519 3.724 20 0 DHADHO CSCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986990 1032969922 /nfs/dbraw/zinc/96/99/22/1032969922.db2.gz OGOJBKBLEACURF-KRWDZBQOSA-N 1 3 306.519 3.724 20 0 DHADHO C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OC1CCCCCC1 ZINC000134894559 1021337468 /nfs/dbraw/zinc/33/74/68/1021337468.db2.gz IUDCRSIRYGLXJC-YLJYHZDGSA-N 1 3 320.521 3.675 20 0 DHADHO C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)OC1CCCCCC1 ZINC000134894559 1021337486 /nfs/dbraw/zinc/33/74/86/1021337486.db2.gz IUDCRSIRYGLXJC-YLJYHZDGSA-N 1 3 320.521 3.675 20 0 DHADHO C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OC1CCCCCC1 ZINC000134894586 1021337982 /nfs/dbraw/zinc/33/79/82/1021337982.db2.gz IUDCRSIRYGLXJC-XLIONFOSSA-N 1 3 320.521 3.675 20 0 DHADHO C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)OC1CCCCCC1 ZINC000134894586 1021337998 /nfs/dbraw/zinc/33/79/98/1021337998.db2.gz IUDCRSIRYGLXJC-XLIONFOSSA-N 1 3 320.521 3.675 20 0 DHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(O)c(F)c2)c1 ZINC000892697553 1021484423 /nfs/dbraw/zinc/48/44/23/1021484423.db2.gz TVHATDYISBNXKI-UHFFFAOYSA-N 1 3 316.420 3.661 20 0 DHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(O)c(F)c2)c1 ZINC000892697553 1021484432 /nfs/dbraw/zinc/48/44/32/1021484432.db2.gz TVHATDYISBNXKI-UHFFFAOYSA-N 1 3 316.420 3.661 20 0 DHADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)CCCO2 ZINC000850440386 1021534854 /nfs/dbraw/zinc/53/48/54/1021534854.db2.gz WZYPPHSYAWHHEG-WBAXXEDZSA-N 1 3 302.462 3.535 20 0 DHADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000850441515 1021535923 /nfs/dbraw/zinc/53/59/23/1021535923.db2.gz AUFFHINQNCTGPS-HNNXBMFYSA-N 1 3 316.489 3.925 20 0 DHADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2cccnc2)C3)cc1 ZINC001172063789 1032989242 /nfs/dbraw/zinc/98/92/42/1032989242.db2.gz CQYOHOUQNKXAHD-WKCHPHFGSA-N 1 3 321.468 3.757 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]CC2CC2)cc1CN1CCCCC1 ZINC000182312551 1021590802 /nfs/dbraw/zinc/59/08/02/1021590802.db2.gz UFTUZKHKEFEOPF-OAHLLOKOSA-N 1 3 302.462 3.742 20 0 DHADHO COCCCC1(C[NH2+]C2CCN(CC3CCCC3)CC2)CCC1 ZINC000892751658 1021596207 /nfs/dbraw/zinc/59/62/07/1021596207.db2.gz YELXVCWMICFHAT-UHFFFAOYSA-N 1 3 322.537 3.828 20 0 DHADHO CCOc1ccc([C@@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172109571 1033009307 /nfs/dbraw/zinc/00/93/07/1033009307.db2.gz FHLVABKDKVDNTJ-DDBAPUKQSA-N 1 3 302.462 3.751 20 0 DHADHO CCOc1ccc([C@@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172109571 1033009319 /nfs/dbraw/zinc/00/93/19/1033009319.db2.gz FHLVABKDKVDNTJ-DDBAPUKQSA-N 1 3 302.462 3.751 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1cccnc1Cl)C1CC1)C2 ZINC001172110511 1033013549 /nfs/dbraw/zinc/01/35/49/1033013549.db2.gz NUXZRGMLZPPTTH-JYYAWHABSA-N 1 3 319.880 3.791 20 0 DHADHO [NH3+]CCCCCCN1CCc2nc(-c3ccccc3)sc2C1 ZINC000852754484 1022172422 /nfs/dbraw/zinc/17/24/22/1022172422.db2.gz BKVGAIADJSEMAQ-UHFFFAOYSA-N 1 3 315.486 3.687 20 0 DHADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001169070308 1022242114 /nfs/dbraw/zinc/24/21/14/1022242114.db2.gz NDGSLPHVKKQXNU-AABGKKOBSA-N 1 3 300.490 3.527 20 0 DHADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001169070308 1022242137 /nfs/dbraw/zinc/24/21/37/1022242137.db2.gz NDGSLPHVKKQXNU-AABGKKOBSA-N 1 3 300.490 3.527 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C2 ZINC001169101309 1022246433 /nfs/dbraw/zinc/24/64/33/1022246433.db2.gz RBOXVOIROXSBKY-AKHDSKFASA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C2 ZINC001169101309 1022246442 /nfs/dbraw/zinc/24/64/42/1022246442.db2.gz RBOXVOIROXSBKY-AKHDSKFASA-N 1 3 302.437 3.882 20 0 DHADHO CCCN1C[C@@H]2C[NH+]([C@@H](Cc3ccccc3)CC(C)C)C[C@H]2C1 ZINC001169085913 1022254204 /nfs/dbraw/zinc/25/42/04/1022254204.db2.gz PTRACXHFMDAWHY-NJDAHSKKSA-N 1 3 314.517 3.917 20 0 DHADHO CC[NH+]1CCC(N2CCCC[C@H]2c2cccc(OC)c2)CC1 ZINC001169258998 1022328862 /nfs/dbraw/zinc/32/88/62/1022328862.db2.gz XWLXXBLFFKCCBA-IBGZPJMESA-N 1 3 302.462 3.707 20 0 DHADHO C[C@@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654943 1022386495 /nfs/dbraw/zinc/38/64/95/1022386495.db2.gz KBGVSQAKSZSJHO-WBVHZDCISA-N 1 3 306.881 3.648 20 0 DHADHO C[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654943 1022386512 /nfs/dbraw/zinc/38/65/12/1022386512.db2.gz KBGVSQAKSZSJHO-WBVHZDCISA-N 1 3 306.881 3.648 20 0 DHADHO C[C@@H]([NH2+]Cc1cccs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272165485 1022494872 /nfs/dbraw/zinc/49/48/72/1022494872.db2.gz GOBFDQXVRCJEDD-WBVHZDCISA-N 1 3 300.471 3.748 20 0 DHADHO C[C@@H](NCc1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272165485 1022494881 /nfs/dbraw/zinc/49/48/81/1022494881.db2.gz GOBFDQXVRCJEDD-WBVHZDCISA-N 1 3 300.471 3.748 20 0 DHADHO C[C@@H](NCc1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272165485 1022494885 /nfs/dbraw/zinc/49/48/85/1022494885.db2.gz GOBFDQXVRCJEDD-WBVHZDCISA-N 1 3 300.471 3.748 20 0 DHADHO C[C@H]1CCCCN1c1cccc(NC(C)(C)CC[NH+](C)C)n1 ZINC001169715778 1022517851 /nfs/dbraw/zinc/51/78/51/1022517851.db2.gz HYDRVIYLFNCDLT-HNNXBMFYSA-N 1 3 304.482 3.603 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000158482770 1022632446 /nfs/dbraw/zinc/63/24/46/1022632446.db2.gz AQFJWBQOVNXQMW-QAPCUYQASA-N 1 3 322.880 3.525 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000158482770 1022632457 /nfs/dbraw/zinc/63/24/57/1022632457.db2.gz AQFJWBQOVNXQMW-QAPCUYQASA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000158482770 1022632461 /nfs/dbraw/zinc/63/24/61/1022632461.db2.gz AQFJWBQOVNXQMW-QAPCUYQASA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000158482770 1022632466 /nfs/dbraw/zinc/63/24/66/1022632466.db2.gz AQFJWBQOVNXQMW-QAPCUYQASA-N 1 3 322.880 3.525 20 0 DHADHO CCCc1ccc([C@H](C)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000159118004 1022691093 /nfs/dbraw/zinc/69/10/93/1022691093.db2.gz MUVZGHZDONWMTG-KRWDZBQOSA-N 1 3 318.505 3.791 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000159225296 1022872650 /nfs/dbraw/zinc/87/26/50/1022872650.db2.gz AWOHJNYHOFXUFT-SFHVURJKSA-N 1 3 318.505 3.763 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CCCC1 ZINC000165337747 1022979236 /nfs/dbraw/zinc/97/92/36/1022979236.db2.gz VWNGQQAMWKZPHU-MJGOQNOKSA-N 1 3 300.490 3.719 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCSc3cc(C)c(C)cc32)C1 ZINC000249772620 1023060826 /nfs/dbraw/zinc/06/08/26/1023060826.db2.gz BVRPCOOEWGGILA-RDJZCZTQSA-N 1 3 304.503 3.772 20 0 DHADHO C[C@@H]1C[C@@H](N[C@@H](CCC[NH3+])c2ccccc2)c2ccccc2O1 ZINC000925678379 1023089087 /nfs/dbraw/zinc/08/90/87/1023089087.db2.gz DCMWVXFUSBVRJK-AYOQOUSVSA-N 1 3 310.441 3.969 20 0 DHADHO CN(Cc1cc2ccccc2[nH]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000769483641 1023152300 /nfs/dbraw/zinc/15/23/00/1023152300.db2.gz RDYBZYQMVQCMRP-UHFFFAOYSA-N 1 3 307.441 3.862 20 0 DHADHO c1cc(CCC[NH+]2CCC(NCc3ccccc3)CC2)cs1 ZINC000660675708 1023376659 /nfs/dbraw/zinc/37/66/59/1023376659.db2.gz LBGDYSQQRBKQLZ-UHFFFAOYSA-N 1 3 314.498 3.935 20 0 DHADHO c1ccc2sc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)nc2c1 ZINC000662295696 1024078377 /nfs/dbraw/zinc/07/83/77/1024078377.db2.gz WMDHEJSZGZPFHB-HNNXBMFYSA-N 1 3 315.486 3.508 20 0 DHADHO C[C@H](c1c(F)cccc1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297428 1024081199 /nfs/dbraw/zinc/08/11/99/1024081199.db2.gz PRHCWQRPSNXBRA-HIFRSBDPSA-N 1 3 308.416 3.737 20 0 DHADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCc3c2cccc3OC)c1 ZINC000268925114 1024195508 /nfs/dbraw/zinc/19/55/08/1024195508.db2.gz RJZINFMZSGUMIK-FQEVSTJZSA-N 1 3 324.468 3.924 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCc3c2cccc3OC)c1 ZINC000268925114 1024195514 /nfs/dbraw/zinc/19/55/14/1024195514.db2.gz RJZINFMZSGUMIK-FQEVSTJZSA-N 1 3 324.468 3.924 20 0 DHADHO Clc1cccc2c1CC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC001168359649 1033198912 /nfs/dbraw/zinc/19/89/12/1033198912.db2.gz DIMYDKFTGRNLPE-SFHVURJKSA-N 1 3 304.865 3.791 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccsc1 ZINC000453173082 1024382612 /nfs/dbraw/zinc/38/26/12/1024382612.db2.gz YNBAGMCLFNIPSW-OKZBNKHCSA-N 1 3 322.518 3.557 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000663465461 1024397498 /nfs/dbraw/zinc/39/74/98/1024397498.db2.gz JZXQFJTVGQNGSP-LGYWMIHWSA-N 1 3 312.501 3.890 20 0 DHADHO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663464190 1024398494 /nfs/dbraw/zinc/39/84/94/1024398494.db2.gz DHTBWYIJRVCVHT-HIFRSBDPSA-N 1 3 306.416 3.819 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000663467106 1024409771 /nfs/dbraw/zinc/40/97/71/1024409771.db2.gz ZOXIAUUMHIRHLW-NRSFXHEJSA-N 1 3 318.530 3.952 20 0 DHADHO Clc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCN(CC3CC3)C1)C2 ZINC000663471788 1024426649 /nfs/dbraw/zinc/42/66/49/1024426649.db2.gz YFPSYIJHAVFCAJ-DNVCBOLYSA-N 1 3 318.892 3.519 20 0 DHADHO Clc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCN(CC3CC3)C1)C2 ZINC000663471789 1024427937 /nfs/dbraw/zinc/42/79/37/1024427937.db2.gz YFPSYIJHAVFCAJ-HNAYVOBHSA-N 1 3 318.892 3.519 20 0 DHADHO Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCN(CC3CC3)C1)C2 ZINC000663471790 1024428037 /nfs/dbraw/zinc/42/80/37/1024428037.db2.gz YFPSYIJHAVFCAJ-KXBFYZLASA-N 1 3 318.892 3.519 20 0 DHADHO CC(C)Cc1cccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000925778603 1024438930 /nfs/dbraw/zinc/43/89/30/1024438930.db2.gz UDYVQFMTXVISCX-RHSMWYFYSA-N 1 3 310.432 3.781 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N2CCC[C@@]3(CCOC3)C2)CC1 ZINC000453366659 1024489247 /nfs/dbraw/zinc/48/92/47/1024489247.db2.gz MEHZVMXVRLEJMY-MISYRCLQSA-N 1 3 320.521 3.532 20 0 DHADHO FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+]CC23CC(C2)CN3)cc1 ZINC000663499515 1024492374 /nfs/dbraw/zinc/49/23/74/1024492374.db2.gz XVIHIQYTLBLNTN-KDFVVIITSA-N 1 3 324.390 3.683 20 0 DHADHO Clc1cccc(CC2(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453379131 1024497112 /nfs/dbraw/zinc/49/71/12/1024497112.db2.gz QKRUATIPINIGQF-SJORKVTESA-N 1 3 304.865 3.632 20 0 DHADHO Clc1cccc(CC2(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453379131 1024497118 /nfs/dbraw/zinc/49/71/18/1024497118.db2.gz QKRUATIPINIGQF-SJORKVTESA-N 1 3 304.865 3.632 20 0 DHADHO Cc1ccc([C@H]2OCCC[C@@H]2NC2CC[NH+](C(C)C)CC2)cc1 ZINC000532235240 1024586945 /nfs/dbraw/zinc/58/69/45/1024586945.db2.gz SPNMIQTWTYHJMS-VQTJNVASSA-N 1 3 316.489 3.678 20 0 DHADHO CC[C@@H]1C[C@@H](N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CCO1 ZINC001170189966 1024687108 /nfs/dbraw/zinc/68/71/08/1024687108.db2.gz CNEBPBMCXJKLTE-DLBZAZTESA-N 1 3 322.880 3.547 20 0 DHADHO Cc1ccc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350511434 1024823607 /nfs/dbraw/zinc/82/36/07/1024823607.db2.gz KNASLUVWJGJERO-LEWJYISDSA-N 1 3 323.484 3.562 20 0 DHADHO Fc1ccc([C@@H](C[C@H]2CCCO2)[NH2+]CCCN2CCCC2)cc1 ZINC000353387970 1025051885 /nfs/dbraw/zinc/05/18/85/1025051885.db2.gz PBRFHADABHQZLL-RTBURBONSA-N 1 3 320.452 3.511 20 0 DHADHO Cn1cccc1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000353580886 1025138482 /nfs/dbraw/zinc/13/84/82/1025138482.db2.gz ZJIDRADKSMDMGG-NRFANRHFSA-N 1 3 323.484 3.513 20 0 DHADHO Cn1cccc1C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000353580886 1025138486 /nfs/dbraw/zinc/13/84/86/1025138486.db2.gz ZJIDRADKSMDMGG-NRFANRHFSA-N 1 3 323.484 3.513 20 0 DHADHO CCCCN1CCC([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000122964440 1025251137 /nfs/dbraw/zinc/25/11/37/1025251137.db2.gz OQABCWCVOXBKRX-HNNXBMFYSA-N 1 3 317.477 3.560 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ccccc1-c1ccccc1 ZINC000539093414 1033272357 /nfs/dbraw/zinc/27/23/57/1033272357.db2.gz PRIXGXNFJPRURA-FXAWDEMLSA-N 1 3 324.468 3.662 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccccc1-c1ccccc1 ZINC000539093414 1033272367 /nfs/dbraw/zinc/27/23/67/1033272367.db2.gz PRIXGXNFJPRURA-FXAWDEMLSA-N 1 3 324.468 3.662 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccccc1-c1ccccc1 ZINC000539093428 1033273076 /nfs/dbraw/zinc/27/30/76/1033273076.db2.gz PRIXGXNFJPRURA-XLIONFOSSA-N 1 3 324.468 3.662 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccccc1-c1ccccc1 ZINC000539093428 1033273088 /nfs/dbraw/zinc/27/30/88/1033273088.db2.gz PRIXGXNFJPRURA-XLIONFOSSA-N 1 3 324.468 3.662 20 0 DHADHO c1coc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000354032553 1025329626 /nfs/dbraw/zinc/32/96/26/1025329626.db2.gz BSTJHDHENYOYSG-UHFFFAOYSA-N 1 3 310.441 3.768 20 0 DHADHO c1coc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000354032553 1025329639 /nfs/dbraw/zinc/32/96/39/1025329639.db2.gz BSTJHDHENYOYSG-UHFFFAOYSA-N 1 3 310.441 3.768 20 0 DHADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000539094279 1033276003 /nfs/dbraw/zinc/27/60/03/1033276003.db2.gz UYHAINYUUPABIO-SCLBCKFNSA-N 1 3 304.453 3.912 20 0 DHADHO CC[C@H](OCC[N@@H+]1CCC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000660663079 1025433527 /nfs/dbraw/zinc/43/35/27/1025433527.db2.gz NAKGCVRZEVTKJQ-VQTJNVASSA-N 1 3 316.489 3.572 20 0 DHADHO CC[C@H](OCC[N@H+]1CCC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000660663079 1025433534 /nfs/dbraw/zinc/43/35/34/1025433534.db2.gz NAKGCVRZEVTKJQ-VQTJNVASSA-N 1 3 316.489 3.572 20 0 DHADHO C[C@H](CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)N1CCCCC1 ZINC000886062482 1025460810 /nfs/dbraw/zinc/46/08/10/1025460810.db2.gz PXTNUKVLXLARLN-QZTJIDSGSA-N 1 3 308.510 3.722 20 0 DHADHO CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)s1 ZINC000125740611 1025489657 /nfs/dbraw/zinc/48/96/57/1025489657.db2.gz NKZSGUDNBOEKCI-DZGCQCFKSA-N 1 3 309.523 3.785 20 0 DHADHO Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CCC2 ZINC000125922297 1025496952 /nfs/dbraw/zinc/49/69/52/1025496952.db2.gz NVCBHOGCSAUNLR-CABCVRRESA-N 1 3 307.507 3.539 20 0 DHADHO c1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2c1CCC2 ZINC000355217255 1025641926 /nfs/dbraw/zinc/64/19/26/1025641926.db2.gz GGEZVLYDFLCPBQ-CTNGQTDRSA-N 1 3 310.485 3.624 20 0 DHADHO c1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2c1CCC2 ZINC000355217255 1025641937 /nfs/dbraw/zinc/64/19/37/1025641937.db2.gz GGEZVLYDFLCPBQ-CTNGQTDRSA-N 1 3 310.485 3.624 20 0 DHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCc2nccs2)CC1 ZINC000359872586 1025725383 /nfs/dbraw/zinc/72/53/83/1025725383.db2.gz PFYFFRYPWZODLW-RDJZCZTQSA-N 1 3 321.534 3.708 20 0 DHADHO Cc1nc(C2CC[NH+](Cc3cccc(F)c3F)CC2)[nH]c1C ZINC000886672701 1025776659 /nfs/dbraw/zinc/77/66/59/1025776659.db2.gz UAIVSEPFBMYQDL-UHFFFAOYSA-N 1 3 305.372 3.684 20 0 DHADHO CC(C)c1ccc(O[C@H](C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000806167563 1025825478 /nfs/dbraw/zinc/82/54/78/1025825478.db2.gz AAHYXSRGLTXJSP-BPIHKTFHSA-N 1 3 316.489 3.792 20 0 DHADHO CC(C)c1ccc(O[C@H](C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000806167563 1025825497 /nfs/dbraw/zinc/82/54/97/1025825497.db2.gz AAHYXSRGLTXJSP-BPIHKTFHSA-N 1 3 316.489 3.792 20 0 DHADHO Cc1ccc([C@@H](C)NCc2ccccc2OCC[NH+](C)C)s1 ZINC000122274194 1026180128 /nfs/dbraw/zinc/18/01/28/1026180128.db2.gz SOGICMOAUJCEIO-OAHLLOKOSA-N 1 3 318.486 3.848 20 0 DHADHO Clc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000533075686 1026208210 /nfs/dbraw/zinc/20/82/10/1026208210.db2.gz BJESXWZYJPGIDH-MAUKXSAKSA-N 1 3 304.865 3.789 20 0 DHADHO Clc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000533075686 1026208224 /nfs/dbraw/zinc/20/82/24/1026208224.db2.gz BJESXWZYJPGIDH-MAUKXSAKSA-N 1 3 304.865 3.789 20 0 DHADHO CCCCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C(C)(C)C ZINC000808719009 1026367043 /nfs/dbraw/zinc/36/70/43/1026367043.db2.gz RZVWFOOKQWGBKQ-KRWDZBQOSA-N 1 3 311.558 3.597 20 0 DHADHO Cc1ccc(CNCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000513488554 1026521145 /nfs/dbraw/zinc/52/11/45/1026521145.db2.gz XGCJGTUENMGUTE-ICSRJNTNSA-N 1 3 323.484 3.780 20 0 DHADHO Cc1ccc(CNCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000513488554 1026521149 /nfs/dbraw/zinc/52/11/49/1026521149.db2.gz XGCJGTUENMGUTE-ICSRJNTNSA-N 1 3 323.484 3.780 20 0 DHADHO CN1CC[C@H]([NH2+]CCOc2ccc3ccccc3c2)[C@@H]2CCC[C@@H]21 ZINC000513656534 1026550895 /nfs/dbraw/zinc/55/08/95/1026550895.db2.gz UVXAFUJZCYACAO-ACRUOGEOSA-N 1 3 324.468 3.681 20 0 DHADHO CC(C)Oc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1Cl ZINC000420282411 1026798612 /nfs/dbraw/zinc/79/86/12/1026798612.db2.gz BKDWIMIHRSGYBL-CYBMUJFWSA-N 1 3 310.869 3.686 20 0 DHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2ccccc2C)cc1 ZINC000420328373 1026805872 /nfs/dbraw/zinc/80/58/72/1026805872.db2.gz ZGPBULHGURVEDE-GHTZIAJQSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2ccccc2C)cc1 ZINC000420328373 1026805883 /nfs/dbraw/zinc/80/58/83/1026805883.db2.gz ZGPBULHGURVEDE-GHTZIAJQSA-N 1 3 324.468 3.883 20 0 DHADHO C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC[C@@H]1CC[NH2+]C1 ZINC000420326760 1026806601 /nfs/dbraw/zinc/80/66/01/1026806601.db2.gz XPHBDTCEFIEGIB-RYUDHWBXSA-N 1 3 301.261 3.986 20 0 DHADHO C[C@H](c1cccc(Cl)c1)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420387456 1026811848 /nfs/dbraw/zinc/81/18/48/1026811848.db2.gz VWGZZNYMRKJCNG-BVGQSLNGSA-N 1 3 322.880 3.619 20 0 DHADHO C[C@H](c1cccc(Cl)c1)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420391932 1026812896 /nfs/dbraw/zinc/81/28/96/1026812896.db2.gz OVPHRJDPYCVOKQ-BVGQSLNGSA-N 1 3 322.880 3.619 20 0 DHADHO CC[NH+]1CCC(N[C@H]2CCCc3c4cc(F)ccc4[nH]c32)CC1 ZINC000204973633 1026827322 /nfs/dbraw/zinc/82/73/22/1026827322.db2.gz QRRMAZOMYVNWDV-SFHVURJKSA-N 1 3 315.436 3.758 20 0 DHADHO CCC1([NH+]2CCCC2)CCN(C[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000931464674 1027132837 /nfs/dbraw/zinc/13/28/37/1027132837.db2.gz LYAJBJSCLSLEGW-PIIMJCKOSA-N 1 3 308.510 3.530 20 0 DHADHO CC(C)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000573077869 1027260869 /nfs/dbraw/zinc/26/08/69/1027260869.db2.gz SGSOSYBATKMGNU-GGPKGHCWSA-N 1 3 318.505 3.863 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000422710898 1027296966 /nfs/dbraw/zinc/29/69/66/1027296966.db2.gz LVXVREXGVZCXME-BEVDRBHNSA-N 1 3 309.457 3.836 20 0 DHADHO C(COC1CCCCCC1)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422762015 1027304972 /nfs/dbraw/zinc/30/49/72/1027304972.db2.gz NIRYZAMFDVHYLR-GBESFXJTSA-N 1 3 308.510 3.626 20 0 DHADHO CN(CCCCN[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422745042 1027311673 /nfs/dbraw/zinc/31/16/73/1027311673.db2.gz XBLJYOVPKAZHQR-VQTJNVASSA-N 1 3 309.457 3.637 20 0 DHADHO Cc1ccc(SCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422771818 1027314074 /nfs/dbraw/zinc/31/40/74/1027314074.db2.gz RNNFIVCEYAPUKG-RCCFBDPRSA-N 1 3 304.503 3.597 20 0 DHADHO N[C@H]1C[C@@H]([NH2+]CCSCc2ccccc2F)c2ccccc21 ZINC000422773662 1027314486 /nfs/dbraw/zinc/31/44/86/1027314486.db2.gz UMCMNMSWFRYCMB-ZWKOTPCHSA-N 1 3 316.445 3.793 20 0 DHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](C)Sc1ccccc1 ZINC000422778902 1027318223 /nfs/dbraw/zinc/31/82/23/1027318223.db2.gz BCTSOTUIZKENEZ-MDZRGWNJSA-N 1 3 314.498 3.715 20 0 DHADHO Cc1ccc(O[C@H](C)CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422795368 1027323060 /nfs/dbraw/zinc/32/30/60/1027323060.db2.gz VJRRFNJOBQLXFA-GSEOLPGOSA-N 1 3 316.489 3.663 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000422797953 1027325804 /nfs/dbraw/zinc/32/58/04/1027325804.db2.gz PFLFLDPFOMTCST-SJCJKPOMSA-N 1 3 301.459 3.712 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000422803937 1027328513 /nfs/dbraw/zinc/32/85/13/1027328513.db2.gz DOHTYCVHDYCMPM-MHTWAQMVSA-N 1 3 322.452 3.950 20 0 DHADHO COc1ccc(-c2ccc(CN[C@H](C)C[C@@H](C)[NH3+])s2)cc1 ZINC000422831191 1027336465 /nfs/dbraw/zinc/33/64/65/1027336465.db2.gz WLXOLESUVZSVJT-CHWSQXEVSA-N 1 3 304.459 3.639 20 0 DHADHO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000422815450 1027340588 /nfs/dbraw/zinc/34/05/88/1027340588.db2.gz BTJRECLWVNHMOW-JGGQBBKZSA-N 1 3 307.507 3.564 20 0 DHADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCCO[C@@H]2c2ccccc2)c2ccccc21 ZINC000422901460 1027352456 /nfs/dbraw/zinc/35/24/56/1027352456.db2.gz KYUSVRWFJBFIJP-RZXSNQJFSA-N 1 3 322.452 3.889 20 0 DHADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCCO[C@H]2c2ccccc2)c2ccccc21 ZINC000422901458 1027352590 /nfs/dbraw/zinc/35/25/90/1027352590.db2.gz KYUSVRWFJBFIJP-DBOLQNLKSA-N 1 3 322.452 3.889 20 0 DHADHO c1c2ccccc2sc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422900764 1027353139 /nfs/dbraw/zinc/35/31/39/1027353139.db2.gz JYPIGXYPABRECS-BRWVUGGUSA-N 1 3 300.471 3.912 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1nc(C2CCCCC2)cs1 ZINC000422912782 1027358673 /nfs/dbraw/zinc/35/86/73/1027358673.db2.gz OASTUACGIBLRKV-GDBMZVCRSA-N 1 3 321.534 3.711 20 0 DHADHO C[C@@H]([NH3+])C[C@@H](C)NC1(c2cccc(Br)c2)CCC1 ZINC000422940004 1027368287 /nfs/dbraw/zinc/36/82/87/1027368287.db2.gz MRQGIANOMLZWGH-VXGBXAGGSA-N 1 3 311.267 3.544 20 0 DHADHO Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000422942260 1027368834 /nfs/dbraw/zinc/36/88/34/1027368834.db2.gz WHUAVANGOLQRMV-AGIUHOORSA-N 1 3 303.475 3.895 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000422946431 1027376243 /nfs/dbraw/zinc/37/62/43/1027376243.db2.gz WSVZTBLZBPVSHM-UTKZUKDTSA-N 1 3 324.468 3.743 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000422950168 1027379600 /nfs/dbraw/zinc/37/96/00/1027379600.db2.gz XGBFJOXKHQHFCK-KZULUSFZSA-N 1 3 315.848 3.840 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](CCc2ccncc2)CC1 ZINC000362775286 1027380960 /nfs/dbraw/zinc/38/09/60/1027380960.db2.gz OVNXNQQHLYMBHV-OAQYLSRUSA-N 1 3 323.484 3.611 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](CCc2ccncc2)CC1 ZINC000362775286 1027380979 /nfs/dbraw/zinc/38/09/79/1027380979.db2.gz OVNXNQQHLYMBHV-OAQYLSRUSA-N 1 3 323.484 3.611 20 0 DHADHO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423011735 1027390090 /nfs/dbraw/zinc/39/00/90/1027390090.db2.gz BLBGJFISCBXFQQ-FTNBBQJZSA-N 1 3 314.404 3.636 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000422995709 1027394410 /nfs/dbraw/zinc/39/44/10/1027394410.db2.gz YWAQTBIVRHRWMX-IFXJQAMLSA-N 1 3 309.457 3.922 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000423034449 1027397977 /nfs/dbraw/zinc/39/79/77/1027397977.db2.gz QCQJJJODQMVQAY-MAUKXSAKSA-N 1 3 307.441 3.512 20 0 DHADHO Cn1cc(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)c2ccc(F)cc21 ZINC000423045089 1027401294 /nfs/dbraw/zinc/40/12/94/1027401294.db2.gz BKFYIHVRWUJBKP-OALUTQOASA-N 1 3 323.415 3.594 20 0 DHADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423057928 1027402931 /nfs/dbraw/zinc/40/29/31/1027402931.db2.gz INRLYRSEHLENLT-GHMZBOCLSA-N 1 3 318.358 3.592 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423050286 1027406534 /nfs/dbraw/zinc/40/65/34/1027406534.db2.gz YWBRCOFLYDSFJT-QXAKKESOSA-N 1 3 302.437 3.869 20 0 DHADHO c1cnc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000423084794 1027410080 /nfs/dbraw/zinc/41/00/80/1027410080.db2.gz IXZMWMJLAJIIRG-YZGWKJHDSA-N 1 3 309.457 3.635 20 0 DHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000423100272 1027413661 /nfs/dbraw/zinc/41/36/61/1027413661.db2.gz UZSKVYXEHGURON-JWWIWJDOSA-N 1 3 312.432 3.620 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423098533 1027414765 /nfs/dbraw/zinc/41/47/65/1027414765.db2.gz SCQIUBXCDNWTQZ-FDTVDDQNSA-N 1 3 310.844 3.645 20 0 DHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092335 1027415086 /nfs/dbraw/zinc/41/50/86/1027415086.db2.gz BKRQZTHGEHOFFP-GALXQHASSA-N 1 3 312.432 3.620 20 0 DHADHO [NH3+][C@H]1C[C@H](NCC2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000423090835 1027415177 /nfs/dbraw/zinc/41/51/77/1027415177.db2.gz YLSBZCREFUEXCU-SFTDATJTSA-N 1 3 321.468 3.637 20 0 DHADHO [NH3+][C@H]1CCCCC[C@@H]1NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423099262 1027415519 /nfs/dbraw/zinc/41/55/19/1027415519.db2.gz LVAQDHAMANATJA-SMELUJQZSA-N 1 3 310.844 3.975 20 0 DHADHO Cc1cccnc1C(C)(C)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000574799630 1027431462 /nfs/dbraw/zinc/43/14/62/1027431462.db2.gz WOYRVQKAUUQDDY-UHFFFAOYSA-N 1 3 303.494 3.520 20 0 DHADHO Cc1cccnc1C(C)(C)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000574799630 1027431471 /nfs/dbraw/zinc/43/14/71/1027431471.db2.gz WOYRVQKAUUQDDY-UHFFFAOYSA-N 1 3 303.494 3.520 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000423149835 1027431959 /nfs/dbraw/zinc/43/19/59/1027431959.db2.gz XXVSNPJWYPOTTA-PBHICJAKSA-N 1 3 309.457 3.619 20 0 DHADHO CC(C)[C@@H](NC[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423213078 1027450352 /nfs/dbraw/zinc/45/03/52/1027450352.db2.gz MVHDSAOLDIIJKI-XJKSGUPXSA-N 1 3 314.395 3.992 20 0 DHADHO C[C@@H]([NH2+]CC1(N)CCCCCC1)c1ccc(-n2cccn2)cc1 ZINC000423197787 1027451770 /nfs/dbraw/zinc/45/17/70/1027451770.db2.gz BEASUQMKOGKDPP-MRXNPFEDSA-N 1 3 312.461 3.575 20 0 DHADHO FC(F)(F)c1cccc(C2CCC([NH2+][C@H]3CCNC3)CC2)c1 ZINC000423218195 1027461777 /nfs/dbraw/zinc/46/17/77/1027461777.db2.gz UARAIIWZQMIVRI-MOQPWLNLSA-N 1 3 312.379 3.683 20 0 DHADHO CC[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423221240 1027461974 /nfs/dbraw/zinc/46/19/74/1027461974.db2.gz ZLZPPWRPMRJKOE-QRWLVFNGSA-N 1 3 312.457 3.889 20 0 DHADHO Cc1cccc(C[NH2+]Cc2ccc(F)c(CN(C)C)c2)c1F ZINC000295868657 1027470914 /nfs/dbraw/zinc/47/09/14/1027470914.db2.gz XELAXUVEAQHDNR-UHFFFAOYSA-N 1 3 304.384 3.625 20 0 DHADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423292028 1027485884 /nfs/dbraw/zinc/48/58/84/1027485884.db2.gz KZTLMGXWALATFQ-UONOGXRCSA-N 1 3 311.429 3.516 20 0 DHADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(F)cc2N(C)C)cc1 ZINC000423290701 1027486179 /nfs/dbraw/zinc/48/61/79/1027486179.db2.gz FCFZJGOAUPBDDK-KBPBESRZSA-N 1 3 315.436 3.762 20 0 DHADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423292636 1027486667 /nfs/dbraw/zinc/48/66/67/1027486667.db2.gz NPIIAEQWHHOSRJ-KZULUSFZSA-N 1 3 314.404 3.631 20 0 DHADHO Cc1nc2c(s1)[C@H](NCc1ccc([C@H](C)[NH3+])cc1)CCC2 ZINC000423292057 1027487148 /nfs/dbraw/zinc/48/71/48/1027487148.db2.gz LBRBMTYLKGEGCW-XHDPSFHLSA-N 1 3 301.459 3.638 20 0 DHADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423292638 1027487360 /nfs/dbraw/zinc/48/73/60/1027487360.db2.gz NPIIAEQWHHOSRJ-XIKOKIGWSA-N 1 3 314.404 3.631 20 0 DHADHO C[C@@H]([NH2+][C@@H](CN)C1CC1)c1cc2cc(Br)ccc2o1 ZINC000423273487 1027489365 /nfs/dbraw/zinc/48/93/65/1027489365.db2.gz JAMPFLIWDQREPJ-RNCFNFMXSA-N 1 3 323.234 3.583 20 0 DHADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423278784 1027491990 /nfs/dbraw/zinc/49/19/90/1027491990.db2.gz RNOQDCFJEXFVPF-GJZGRUSLSA-N 1 3 315.486 3.850 20 0 DHADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423280417 1027494401 /nfs/dbraw/zinc/49/44/01/1027494401.db2.gz UCUZGSNBWCXSLS-SMDDNHRTSA-N 1 3 302.434 3.678 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CSCCc3ccccc32)cc1 ZINC000423295862 1027503275 /nfs/dbraw/zinc/50/32/75/1027503275.db2.gz XOWXPKSIOIICQI-AUUYWEPGSA-N 1 3 312.482 3.827 20 0 DHADHO CCC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423323855 1027508140 /nfs/dbraw/zinc/50/81/40/1027508140.db2.gz PADBTSIMZZZPAG-HUUCEWRRSA-N 1 3 300.368 3.874 20 0 DHADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1cccc(OCc2ccccc2)c1 ZINC000423332376 1027510113 /nfs/dbraw/zinc/51/01/13/1027510113.db2.gz VBROZJVRIIIZBS-YWZLYKJASA-N 1 3 310.441 3.654 20 0 DHADHO C[C@H](NC[C@]1(C)CCC[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000423325440 1027510784 /nfs/dbraw/zinc/51/07/84/1027510784.db2.gz JSEXZCXAMPRFOX-SUNYJGFJSA-N 1 3 317.502 3.768 20 0 DHADHO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000423363018 1027520991 /nfs/dbraw/zinc/52/09/91/1027520991.db2.gz AERMAERONVCAGX-AAVRWANBSA-N 1 3 303.475 3.518 20 0 DHADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423369382 1027523179 /nfs/dbraw/zinc/52/31/79/1027523179.db2.gz BVURZJLYQJCOHD-ZENOOKHLSA-N 1 3 314.395 3.757 20 0 DHADHO Cc1cc(OCCC[C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)ccc1Cl ZINC000423388048 1027532228 /nfs/dbraw/zinc/53/22/28/1027532228.db2.gz SXJBZAGRTYKNPA-JYJNAYRXSA-N 1 3 324.896 3.926 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000423393097 1027534829 /nfs/dbraw/zinc/53/48/29/1027534829.db2.gz QJIUYGRVFWZHLJ-BHYGNILZSA-N 1 3 320.477 3.795 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423445767 1027543783 /nfs/dbraw/zinc/54/37/83/1027543783.db2.gz NIGFUAINUFSZFO-LXIYXOSZSA-N 1 3 304.384 3.574 20 0 DHADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)s2)cc1 ZINC000423447070 1027544705 /nfs/dbraw/zinc/54/47/05/1027544705.db2.gz OTISLZINKLZKNF-WOPDTQHZSA-N 1 3 319.474 3.513 20 0 DHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](C)[C@H](C)N ZINC000423452109 1027546769 /nfs/dbraw/zinc/54/67/69/1027546769.db2.gz VYMMTUZGTWOUFL-DCAQKATOSA-N 1 3 307.438 3.644 20 0 DHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](C)[C@@H](C)N ZINC000423452111 1027548083 /nfs/dbraw/zinc/54/80/83/1027548083.db2.gz VYMMTUZGTWOUFL-MXWKQRLJSA-N 1 3 307.438 3.644 20 0 DHADHO CC[C@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000423461804 1027555280 /nfs/dbraw/zinc/55/52/80/1027555280.db2.gz KFOICBHWRPWNLP-GJZGRUSLSA-N 1 3 315.486 3.823 20 0 DHADHO C[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000423483146 1027571611 /nfs/dbraw/zinc/57/16/11/1027571611.db2.gz YLGBXZMSXSQYEK-MOXGXCLJSA-N 1 3 312.432 3.870 20 0 DHADHO Fc1cccc([C@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000576166534 1027575022 /nfs/dbraw/zinc/57/50/22/1027575022.db2.gz RTFMUZITZMUJFD-HXUWFJFHSA-N 1 3 310.416 3.809 20 0 DHADHO Cc1sccc1C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000562768358 1027595580 /nfs/dbraw/zinc/59/55/80/1027595580.db2.gz KSSDLNVGINTOQR-GOSISDBHSA-N 1 3 314.498 3.711 20 0 DHADHO CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)C[C@@H]21 ZINC001170716449 1027783520 /nfs/dbraw/zinc/78/35/20/1027783520.db2.gz UEDIMXVRPIRGJB-OXVGXARHSA-N 1 3 324.512 3.921 20 0 DHADHO CC1(C)[C@@H]2C[C@@H](N3CCC([NH3+])(c4ccc(F)cc4)CC3)C[C@@H]21 ZINC001170738201 1028000769 /nfs/dbraw/zinc/00/07/69/1028000769.db2.gz LCRHZNLENQSJCY-OSYLJGHBSA-N 1 3 302.437 3.510 20 0 DHADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000367086626 1028135394 /nfs/dbraw/zinc/13/53/94/1028135394.db2.gz MBDLKPRBLVDPOE-ICSRJNTNSA-N 1 3 322.537 3.826 20 0 DHADHO c1ccc2c(c1)OC[C@H]2CNC1CC[NH+](C2CCCCC2)CC1 ZINC000367318089 1028166813 /nfs/dbraw/zinc/16/68/13/1028166813.db2.gz OUAISYYIHLFNNO-MRXNPFEDSA-N 1 3 314.473 3.549 20 0 DHADHO COc1cccc2c(C[N@@H+]3CC[C@@H]4[C@@H](CCCN4C)C3)cccc12 ZINC000449044363 1028307001 /nfs/dbraw/zinc/30/70/01/1028307001.db2.gz DIZQBJPHACDUNV-FXAWDEMLSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(C[N@H+]3CC[C@@H]4[C@@H](CCCN4C)C3)cccc12 ZINC000449044363 1028307014 /nfs/dbraw/zinc/30/70/14/1028307014.db2.gz DIZQBJPHACDUNV-FXAWDEMLSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cccc12 ZINC000449044363 1028307032 /nfs/dbraw/zinc/30/70/32/1028307032.db2.gz DIZQBJPHACDUNV-FXAWDEMLSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cccc12 ZINC000449044363 1028307051 /nfs/dbraw/zinc/30/70/51/1028307051.db2.gz DIZQBJPHACDUNV-FXAWDEMLSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(CNC3CC[NH+](C4CCC4)CC3)cccc12 ZINC000449097331 1028349844 /nfs/dbraw/zinc/34/98/44/1028349844.db2.gz LELUEDJOOXAKRM-UHFFFAOYSA-N 1 3 324.468 3.955 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCO[C@H]2C2CC2)CC1 ZINC000449214317 1028448856 /nfs/dbraw/zinc/44/88/56/1028448856.db2.gz YECJZXXQCDWHDE-ROUUACIJSA-N 1 3 322.537 3.823 20 0 DHADHO Fc1cc2c(c(F)c1F)[C@H](NCC1CC[NH+](C3CC3)CC1)CC2 ZINC000449286080 1028508968 /nfs/dbraw/zinc/50/89/68/1028508968.db2.gz GSDAWNKLNWIMDG-OAHLLOKOSA-N 1 3 324.390 3.555 20 0 DHADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000815570016 1028564981 /nfs/dbraw/zinc/56/49/81/1028564981.db2.gz OFXMNJWJTCEJSI-IXDOHACOSA-N 1 3 322.468 3.674 20 0 DHADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cccc2ccccc21 ZINC000371299715 1028686020 /nfs/dbraw/zinc/68/60/20/1028686020.db2.gz JTWLPKKHKQDDFJ-GIVPXCGWSA-N 1 3 324.468 3.523 20 0 DHADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cccc2ccccc21 ZINC000371299717 1028687926 /nfs/dbraw/zinc/68/79/26/1028687926.db2.gz JTWLPKKHKQDDFJ-HMXCVIKNSA-N 1 3 324.468 3.523 20 0 DHADHO CC(C)[C@H]1C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000449505971 1028729028 /nfs/dbraw/zinc/72/90/28/1028729028.db2.gz ZUDPPBPWCVCWRY-YLJYHZDGSA-N 1 3 322.537 3.824 20 0 DHADHO CC[C@H](O)[C@H](CC)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449646126 1028876144 /nfs/dbraw/zinc/87/61/44/1028876144.db2.gz NHMOUFBFWHDMCF-IRXDYDNUSA-N 1 3 312.542 3.805 20 0 DHADHO CN(Cc1csc(C(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000628163696 1028916060 /nfs/dbraw/zinc/91/60/60/1028916060.db2.gz ODXIDFFMKVPUGI-UHFFFAOYSA-N 1 3 306.397 3.541 20 0 DHADHO CC(C)N1CCN(CCC[N@@H+]2CCCC23CCCCCC3)CC1 ZINC000374290813 1029277802 /nfs/dbraw/zinc/27/78/02/1029277802.db2.gz GWNPNYQCJBNRLU-UHFFFAOYSA-N 1 3 321.553 3.591 20 0 DHADHO CC(C)N1CCN(CCC[N@H+]2CCCC23CCCCCC3)CC1 ZINC000374290813 1029277812 /nfs/dbraw/zinc/27/78/12/1029277812.db2.gz GWNPNYQCJBNRLU-UHFFFAOYSA-N 1 3 321.553 3.591 20 0 DHADHO CCC[C@H]([NH2+][C@@H]1C[C@@H](N)c2ccccc21)[C@@H](O)c1ccccc1 ZINC000817927633 1029278689 /nfs/dbraw/zinc/27/86/89/1029278689.db2.gz NVKHQZDUALKLDK-WCIQWLHISA-N 1 3 310.441 3.623 20 0 DHADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(F)c(Cl)c1 ZINC000817947706 1029287160 /nfs/dbraw/zinc/28/71/60/1029287160.db2.gz FYBIIXFCKILYHZ-GFCCVEGCSA-N 1 3 306.812 3.831 20 0 DHADHO N[C@H](C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21)C1CC1 ZINC000817965979 1029308602 /nfs/dbraw/zinc/30/86/02/1029308602.db2.gz YIVQARNFOVEHRM-CABCVRRESA-N 1 3 312.429 3.706 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCc3sc(Cl)cc32)[C@@H]2CCC[C@@H]21 ZINC000570249896 1029339157 /nfs/dbraw/zinc/33/91/57/1029339157.db2.gz IHYLOGVUEBZCKY-GHYVTOPFSA-N 1 3 310.894 3.851 20 0 DHADHO C[N@H+]1CC[C@H](N[C@@H]2CCc3sc(Cl)cc32)[C@@H]2CCC[C@@H]21 ZINC000570249896 1029339164 /nfs/dbraw/zinc/33/91/64/1029339164.db2.gz IHYLOGVUEBZCKY-GHYVTOPFSA-N 1 3 310.894 3.851 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170892494 1029355904 /nfs/dbraw/zinc/35/59/04/1029355904.db2.gz HLKRKMKFQFTGIG-KRWDZBQOSA-N 1 3 320.908 3.909 20 0 DHADHO Cc1ccc(C(C)(C)CN[C@H](C)C[C@H]2CCCCC[NH2+]2)nc1 ZINC000629525489 1029359381 /nfs/dbraw/zinc/35/93/81/1029359381.db2.gz ZMRVYFQZCLJRHQ-IAGOWNOFSA-N 1 3 303.494 3.568 20 0 DHADHO COc1c(C(C)(C)C)cc(N[C@H](N)CCC[NH3+])cc1C(C)(C)C ZINC001170900872 1029371335 /nfs/dbraw/zinc/37/13/35/1029371335.db2.gz QZJZNDUDMNWJIR-INIZCTEOSA-N 1 3 321.509 3.726 20 0 DHADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CC(F)(F)C1 ZINC000529541016 1029381132 /nfs/dbraw/zinc/38/11/32/1029381132.db2.gz ZMGCSAOLHHZAHG-CYBMUJFWSA-N 1 3 300.437 3.664 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CC(F)(F)C1 ZINC000529542024 1029382681 /nfs/dbraw/zinc/38/26/81/1029382681.db2.gz NZMHHCSILYCWKL-IHRRRGAJSA-N 1 3 300.437 3.663 20 0 DHADHO O[C@@H](CNC1CC[NH+](CC2CCCCC2)CC1)CC1CCCC1 ZINC000818984001 1029448213 /nfs/dbraw/zinc/44/82/13/1029448213.db2.gz TVOLRSMKQPTKBV-HXUWFJFHSA-N 1 3 322.537 3.562 20 0 DHADHO O[C@@H](C[NH2+]C1CCN(CC2CCCCC2)CC1)CC1CCCC1 ZINC000818984001 1029448220 /nfs/dbraw/zinc/44/82/20/1029448220.db2.gz TVOLRSMKQPTKBV-HXUWFJFHSA-N 1 3 322.537 3.562 20 0 DHADHO CC(C)(C)CC[C@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000475667967 1029589070 /nfs/dbraw/zinc/58/90/70/1029589070.db2.gz ICGWQYOTGLDDPL-QGZVFWFLSA-N 1 3 310.526 3.560 20 0 DHADHO CC(C)(C)CC[C@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475667967 1029589075 /nfs/dbraw/zinc/58/90/75/1029589075.db2.gz ICGWQYOTGLDDPL-QGZVFWFLSA-N 1 3 310.526 3.560 20 0 DHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2CCc3cccc(F)c3C2)C1 ZINC001170948501 1029733101 /nfs/dbraw/zinc/73/31/01/1029733101.db2.gz HMUQJCJUGCOCGL-NUJGCVRESA-N 1 3 318.480 3.641 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-c2ccccc2)s1 ZINC000530211987 1029783939 /nfs/dbraw/zinc/78/39/39/1029783939.db2.gz PPKHLFLAFIWARE-YOEHRIQHSA-N 1 3 300.471 3.893 20 0 DHADHO CC1(C)C[C@H](NCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246158060 1029935309 /nfs/dbraw/zinc/93/53/09/1029935309.db2.gz FOCUTSWMFDREER-LLVKDONJSA-N 1 3 301.261 3.656 20 0 DHADHO CCC1([NH+](C)C)CCN(c2ccnc3cc(OC)ccc32)CC1 ZINC000866059950 1030117623 /nfs/dbraw/zinc/11/76/23/1030117623.db2.gz XGBGWLXKAXXMKG-UHFFFAOYSA-N 1 3 313.445 3.554 20 0 DHADHO COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000866289812 1030207845 /nfs/dbraw/zinc/20/78/45/1030207845.db2.gz KOGJJQWBNDGIJP-SFHVURJKSA-N 1 3 302.462 3.535 20 0 DHADHO C[C@@H](CC[NH2+]C1CCN(c2ccccc2)CC1)N1CCCCC1 ZINC000291075124 1030329311 /nfs/dbraw/zinc/32/93/11/1030329311.db2.gz FUHWLQLEQRQAAT-SFHVURJKSA-N 1 3 315.505 3.510 20 0 DHADHO CC(C)[C@H](C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)c1cccnc1 ZINC000925539023 1030391880 /nfs/dbraw/zinc/39/18/80/1030391880.db2.gz XWGMAJXRODYFSC-ZCNNSNEGSA-N 1 3 315.505 3.579 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000291259267 1030424176 /nfs/dbraw/zinc/42/41/76/1030424176.db2.gz PVAQMGCQHFMPJL-IBGZPJMESA-N 1 3 310.441 3.621 20 0 DHADHO Cc1ccc2ncc(CN3CC[C@](C[NH3+])(C(C)(C)C)C3)cc2c1 ZINC000866707803 1030427434 /nfs/dbraw/zinc/42/74/34/1030427434.db2.gz KERAVCYLYKIUMV-HXUWFJFHSA-N 1 3 311.473 3.740 20 0 DHADHO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2ccc(F)c3cccnc23)C1 ZINC000866705598 1030428383 /nfs/dbraw/zinc/42/83/83/1030428383.db2.gz DJFXPGIZYMZJII-LJQANCHMSA-N 1 3 315.436 3.571 20 0 DHADHO [NH3+][C@H]1C[C@H](NCC2(c3ccc(C(F)(F)F)cc3)CC2)C12CCC2 ZINC000925645813 1030432790 /nfs/dbraw/zinc/43/27/90/1030432790.db2.gz TYVCUXLUHOMFPE-GJZGRUSLSA-N 1 3 324.390 3.597 20 0 DHADHO [NH3+][C@@H]1C[C@@H](N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C12CCC2 ZINC000925657930 1030442639 /nfs/dbraw/zinc/44/26/39/1030442639.db2.gz VJDQDRQGSYSKFW-DTZQCDIJSA-N 1 3 324.390 3.811 20 0 DHADHO C[C@]1(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1(Cl)Cl ZINC000925694996 1030454658 /nfs/dbraw/zinc/45/46/58/1030454658.db2.gz VQLJLFSTFXKOLO-ZNMIVQPWSA-N 1 3 319.320 3.718 20 0 DHADHO CC1(C)C[C@@H]([NH3+])C[C@@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000925723901 1030465641 /nfs/dbraw/zinc/46/56/41/1030465641.db2.gz DJXIPPDJLJXSJR-HZMVEIRTSA-N 1 3 322.880 3.666 20 0 DHADHO CCC1([NH3+])CCN([C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000925757460 1030483323 /nfs/dbraw/zinc/48/33/23/1030483323.db2.gz HDEQLHZPWCLRNB-ROUUACIJSA-N 1 3 316.489 3.574 20 0 DHADHO FC1(F)CCNC[C@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000925786965 1030497367 /nfs/dbraw/zinc/49/73/67/1030497367.db2.gz YHIZHFBHISCNKY-DZGCQCFKSA-N 1 3 314.807 3.626 20 0 DHADHO FC1(F)CCNC[C@@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000925786966 1030497989 /nfs/dbraw/zinc/49/79/89/1030497989.db2.gz YHIZHFBHISCNKY-HIFRSBDPSA-N 1 3 314.807 3.626 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1ccc2ccccc2c1 ZINC000925795778 1030500502 /nfs/dbraw/zinc/50/05/02/1030500502.db2.gz PVUWGIFHXFQJMO-UZLBHIALSA-N 1 3 324.468 3.649 20 0 DHADHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccncc1 ZINC000248742889 1030763780 /nfs/dbraw/zinc/76/37/80/1030763780.db2.gz AKWRFQIGZPVRGE-RZXSNQJFSA-N 1 3 321.468 3.928 20 0 DHADHO CCC[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ncccc1Cl ZINC000926574097 1030804934 /nfs/dbraw/zinc/80/49/34/1030804934.db2.gz RZFMFLFZPLMHFM-GDBMZVCRSA-N 1 3 309.885 3.898 20 0 DHADHO CCC[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ncccc1Cl ZINC000926574097 1030804952 /nfs/dbraw/zinc/80/49/52/1030804952.db2.gz RZFMFLFZPLMHFM-GDBMZVCRSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1cccc(C[NH+](C)C)c1 ZINC000926708467 1030874332 /nfs/dbraw/zinc/87/43/32/1030874332.db2.gz IKKRAHWFZZBCPH-VBKZILBWSA-N 1 3 310.441 3.792 20 0 DHADHO CCc1cnccc1[C@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000359331201 1030911162 /nfs/dbraw/zinc/91/11/62/1030911162.db2.gz MIPOEJBDYJLTCH-KRWDZBQOSA-N 1 3 323.484 3.959 20 0 DHADHO [NH3+]C1(CC2CC2)CCN([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171107531 1030972454 /nfs/dbraw/zinc/97/24/54/1030972454.db2.gz CDWNDZWUWRCRJS-GOSISDBHSA-N 1 3 318.892 3.791 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CCc2cnc3ccccc3c2)CC1 ZINC000926920537 1030995693 /nfs/dbraw/zinc/99/56/93/1030995693.db2.gz RPBPNMZLEKNFTJ-UHFFFAOYSA-N 1 3 311.473 3.630 20 0 DHADHO CC(C)(C)[NH+]1CCC(NCCc2cnc3ccccc3c2)CC1 ZINC000926920537 1030995702 /nfs/dbraw/zinc/99/57/02/1030995702.db2.gz RPBPNMZLEKNFTJ-UHFFFAOYSA-N 1 3 311.473 3.630 20 0 DHADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCCC1)CCCO2 ZINC000359615927 1031062544 /nfs/dbraw/zinc/06/25/44/1031062544.db2.gz AJCKTIYSDAENSN-SFHVURJKSA-N 1 3 302.462 3.674 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000162460910 1031181864 /nfs/dbraw/zinc/18/18/64/1031181864.db2.gz JXRPXEVSFZTKAF-KRWDZBQOSA-N 1 3 309.457 3.885 20 0 DHADHO CC(C)[N@H+](CCCN)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139270 1031242601 /nfs/dbraw/zinc/24/26/01/1031242601.db2.gz KOKZOCMFNGWNNH-CQSZACIVSA-N 1 3 315.288 3.910 20 0 DHADHO CC(C)[N@@H+](CCCN)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139270 1031242613 /nfs/dbraw/zinc/24/26/13/1031242613.db2.gz KOKZOCMFNGWNNH-CQSZACIVSA-N 1 3 315.288 3.910 20 0 DHADHO FCc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000777710219 1031392246 /nfs/dbraw/zinc/39/22/46/1031392246.db2.gz XGTPILZQJCLSOW-MJGOQNOKSA-N 1 3 302.437 3.605 20 0 DHADHO FCc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000777710219 1031392262 /nfs/dbraw/zinc/39/22/62/1031392262.db2.gz XGTPILZQJCLSOW-MJGOQNOKSA-N 1 3 302.437 3.605 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000360416235 1031418571 /nfs/dbraw/zinc/41/85/71/1031418571.db2.gz FDBPVOFPANQELD-IRXDYDNUSA-N 1 3 309.457 3.741 20 0 DHADHO Cc1ccc(-c2ccc(CN[C@@H]3CCC[NH2+]CC3)s2)cc1 ZINC000666855181 1031419783 /nfs/dbraw/zinc/41/97/83/1031419783.db2.gz CJVRYEHKMSGDOT-MRXNPFEDSA-N 1 3 300.471 3.955 20 0 DHADHO CC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000872040743 1031424986 /nfs/dbraw/zinc/42/49/86/1031424986.db2.gz MVYUBCGQJFSSPJ-QFBILLFUSA-N 1 3 308.510 3.578 20 0 DHADHO COc1ccc([C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000881 1031487350 /nfs/dbraw/zinc/48/73/50/1031487350.db2.gz VESBFSSFHKIANZ-YLJYHZDGSA-N 1 3 316.489 3.999 20 0 DHADHO COc1ccc([C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000881 1031487358 /nfs/dbraw/zinc/48/73/58/1031487358.db2.gz VESBFSSFHKIANZ-YLJYHZDGSA-N 1 3 316.489 3.999 20 0 DHADHO CC(C)Oc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)c1 ZINC000537024609 1031489167 /nfs/dbraw/zinc/48/91/67/1031489167.db2.gz RJQXZSWCKNADNM-AEFFLSMTSA-N 1 3 304.478 3.999 20 0 DHADHO Cc1ccc(-c2cc(CN(C)CCCCCC[NH3+])on2)cc1 ZINC000872155842 1031536560 /nfs/dbraw/zinc/53/65/60/1031536560.db2.gz YCASABZZRXUNMV-UHFFFAOYSA-N 1 3 301.434 3.601 20 0 DHADHO C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210321 1031762276 /nfs/dbraw/zinc/76/22/76/1031762276.db2.gz BYTHIOKGPDFNJS-GXFFZTMASA-N 1 3 318.408 3.557 20 0 DHADHO CN(CCCCCC[NH3+])Cc1ccc(-c2ccncc2)cc1F ZINC000873231891 1031766218 /nfs/dbraw/zinc/76/62/18/1031766218.db2.gz XIANEHNCWGPLQX-UHFFFAOYSA-N 1 3 315.436 3.839 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873273603 1031784956 /nfs/dbraw/zinc/78/49/56/1031784956.db2.gz JFDHHFTWRCASDX-LXTVHRRPSA-N 1 3 304.400 3.784 20 0 DHADHO C[C@@H](Cc1cccnc1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000897969196 1031900632 /nfs/dbraw/zinc/90/06/32/1031900632.db2.gz GHSDDGKILIUWSB-UWVAXJGDSA-N 1 3 315.505 3.645 20 0 DHADHO [NH3+]CCCCCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000846227657 1031936920 /nfs/dbraw/zinc/93/69/20/1031936920.db2.gz FEVFORLKKKINHU-FHWLQOOXSA-N 1 3 302.462 3.500 20 0 DHADHO CC(C)CCN1CCC([NH2+][C@H](c2ccncc2)C2CC2)CC1 ZINC000898317650 1032035906 /nfs/dbraw/zinc/03/59/06/1032035906.db2.gz LBSYACUXLCPDRY-IBGZPJMESA-N 1 3 301.478 3.633 20 0 DHADHO Brc1ccc([C@@H](N[C@@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000643522555 1033338875 /nfs/dbraw/zinc/33/88/75/1033338875.db2.gz PGMMAMAEOCSEOV-CVEARBPZSA-N 1 3 323.278 3.632 20 0 DHADHO Brc1ccc([C@H](N[C@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000643522558 1033339420 /nfs/dbraw/zinc/33/94/20/1033339420.db2.gz PGMMAMAEOCSEOV-JKSUJKDBSA-N 1 3 323.278 3.632 20 0 DHADHO Clc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001172711938 1033347589 /nfs/dbraw/zinc/34/75/89/1033347589.db2.gz IGUOXMKMQUJLRR-GOSISDBHSA-N 1 3 318.892 3.804 20 0 DHADHO CC(C)(C[NH2+]C1CCC(C(F)(F)F)CC1)CN1CCCC1 ZINC000477910422 1033363450 /nfs/dbraw/zinc/36/34/50/1033363450.db2.gz GGHGGCCMEMBPIL-UHFFFAOYSA-N 1 3 306.416 3.819 20 0 DHADHO Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC001172830822 1033393566 /nfs/dbraw/zinc/39/35/66/1033393566.db2.gz KFPRFPBVIDYJQC-FQEVSTJZSA-N 1 3 312.501 3.849 20 0 DHADHO Cc1ccc2c(c1)C[C@H]([NH+]1CCC(N3CCCCC3)CC1)CC2 ZINC001172839934 1033409605 /nfs/dbraw/zinc/40/96/05/1033409605.db2.gz YBGPXVLKCZWQRN-OAQYLSRUSA-N 1 3 312.501 3.803 20 0 DHADHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000152461509 1033524130 /nfs/dbraw/zinc/52/41/30/1033524130.db2.gz CWQYBSSCCNSBQC-CXAGYDPISA-N 1 3 324.415 3.813 20 0 DHADHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000152461509 1033524135 /nfs/dbraw/zinc/52/41/35/1033524135.db2.gz CWQYBSSCCNSBQC-CXAGYDPISA-N 1 3 324.415 3.813 20 0 DHADHO CCC[N@H+](CCCN)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173084546 1033538502 /nfs/dbraw/zinc/53/85/02/1033538502.db2.gz ZYMGWPRLJSBJOJ-ZDUSSCGKSA-N 1 3 318.383 3.577 20 0 DHADHO CCC[N@@H+](CCCN)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173084546 1033538507 /nfs/dbraw/zinc/53/85/07/1033538507.db2.gz ZYMGWPRLJSBJOJ-ZDUSSCGKSA-N 1 3 318.383 3.577 20 0 DHADHO CC[NH+](CC)C1CCC(N2CCC[C@@H]2c2nccs2)CC1 ZINC001173113696 1033547492 /nfs/dbraw/zinc/54/74/92/1033547492.db2.gz BXSAASWZLVFWDU-UYSNPLJNSA-N 1 3 307.507 3.933 20 0 DHADHO CCC[N@H+](Cc1ccnn1-c1ccncc1)Cc1ccc(F)cc1 ZINC000667513723 1033811496 /nfs/dbraw/zinc/81/14/96/1033811496.db2.gz JZYLVBSWYCLNMC-UHFFFAOYSA-N 1 3 324.403 3.819 20 0 DHADHO CCC[N@@H+](Cc1ccnn1-c1ccncc1)Cc1ccc(F)cc1 ZINC000667513723 1033811510 /nfs/dbraw/zinc/81/15/10/1033811510.db2.gz JZYLVBSWYCLNMC-UHFFFAOYSA-N 1 3 324.403 3.819 20 0 DHADHO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000249596651 1034251451 /nfs/dbraw/zinc/25/14/51/1034251451.db2.gz PVWWKTHTTXDLDY-RKVPGOIHSA-N 1 3 302.462 3.535 20 0 DHADHO C[C@@H](c1ccco1)N(C)CCOCC[N@H+](C)[C@@H](C)c1ccco1 ZINC000178613646 1034251889 /nfs/dbraw/zinc/25/18/89/1034251889.db2.gz GNCLQWQJFUIVEA-HOTGVXAUSA-N 1 3 320.433 3.575 20 0 DHADHO C[C@@H](c1ccco1)N(C)CCOCC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000178613646 1034251906 /nfs/dbraw/zinc/25/19/06/1034251906.db2.gz GNCLQWQJFUIVEA-HOTGVXAUSA-N 1 3 320.433 3.575 20 0 DHADHO C[C@H](N)c1ncc(-c2ccccc2)n1C1CC[NH+](CC2CC2)CC1 ZINC001168363097 1034277461 /nfs/dbraw/zinc/27/74/61/1034277461.db2.gz SKTHJMOEAAXKJE-HNNXBMFYSA-N 1 3 324.472 3.617 20 0 DHADHO CC(C)O[C@H](C[NH+]1CCC(C)(N2CCC2)CC1)c1ccccc1 ZINC000880474880 1034343593 /nfs/dbraw/zinc/34/35/93/1034343593.db2.gz NCEHTCUGQUNCHQ-LJQANCHMSA-N 1 3 316.489 3.713 20 0 DHADHO COC1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCCCC1 ZINC000480659339 1034378096 /nfs/dbraw/zinc/37/80/96/1034378096.db2.gz FKEURINFIVDCFV-PKOBYXMFSA-N 1 3 322.537 3.968 20 0 DHADHO COC1(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCCCC1 ZINC000480679188 1034397116 /nfs/dbraw/zinc/39/71/16/1034397116.db2.gz JFSKJVNIHLWCEX-PKOBYXMFSA-N 1 3 322.537 3.968 20 0 DHADHO Cc1ccccc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000162865805 1034698042 /nfs/dbraw/zinc/69/80/42/1034698042.db2.gz MNJCYKSHZZIBOH-KURKYZTESA-N 1 3 304.478 3.535 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC001175600858 1035038193 /nfs/dbraw/zinc/03/81/93/1035038193.db2.gz DGXNFQDRHBVZLA-IBGZPJMESA-N 1 3 303.494 3.504 20 0 DHADHO CC[N@@H+]1CC[C@@H](NC2CC(F)(c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000482059491 1035052621 /nfs/dbraw/zinc/05/26/21/1035052621.db2.gz GHWNPSWFRLOCDH-OEWOMKROSA-N 1 3 324.871 3.987 20 0 DHADHO CC[N@H+]1CC[C@@H](NC2CC(F)(c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000482059491 1035052624 /nfs/dbraw/zinc/05/26/24/1035052624.db2.gz GHWNPSWFRLOCDH-OEWOMKROSA-N 1 3 324.871 3.987 20 0 DHADHO C[C@H](CCc1ccccc1)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC001177416069 1035369498 /nfs/dbraw/zinc/36/94/98/1035369498.db2.gz HVFHNUILDXTANM-MOPGFXCFSA-N 1 3 302.506 3.967 20 0 DHADHO CCc1cccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC001177668868 1035385919 /nfs/dbraw/zinc/38/59/19/1035385919.db2.gz HPNHRXMXUBREIH-JOCHJYFZSA-N 1 3 322.496 3.903 20 0 DHADHO CC(C)(C)CC[C@@H](N)C[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000904360653 1035403436 /nfs/dbraw/zinc/40/34/36/1035403436.db2.gz NJGGNVUFJLCZPE-RTBURBONSA-N 1 3 314.473 3.616 20 0 DHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1cccs1 ZINC001177981828 1035405197 /nfs/dbraw/zinc/40/51/97/1035405197.db2.gz SATQOAKFCFXZSJ-HZPDHXFCSA-N 1 3 314.498 3.994 20 0 DHADHO CCC[NH+]1CCC(N(C)CC(C)(C)Oc2ccccc2)CC1 ZINC001180161573 1035613844 /nfs/dbraw/zinc/61/38/44/1035613844.db2.gz HRFVMBWWWGOEMD-UHFFFAOYSA-N 1 3 304.478 3.650 20 0 DHADHO Cc1c([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)cnn1C(C)(C)C ZINC000191293541 1035678421 /nfs/dbraw/zinc/67/84/21/1035678421.db2.gz HEXZAJCQGUQCMZ-WMLDXEAASA-N 1 3 322.541 3.964 20 0 DHADHO C[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000668511187 1035728017 /nfs/dbraw/zinc/72/80/17/1035728017.db2.gz DACCUNDQVLOZGJ-SFHVURJKSA-N 1 3 323.484 3.687 20 0 DHADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000539507107 1035755488 /nfs/dbraw/zinc/75/54/88/1035755488.db2.gz CUIODOUCKBVJRW-GFCCVEGCSA-N 1 3 304.821 3.999 20 0 DHADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000539507107 1035755503 /nfs/dbraw/zinc/75/55/03/1035755503.db2.gz CUIODOUCKBVJRW-GFCCVEGCSA-N 1 3 304.821 3.999 20 0 DHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000192795871 1035817882 /nfs/dbraw/zinc/81/78/82/1035817882.db2.gz YDIQQSBQYHRRBN-OALUTQOASA-N 1 3 323.569 3.597 20 0 DHADHO C[C@H](N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000906589714 1036012620 /nfs/dbraw/zinc/01/26/20/1036012620.db2.gz XCNJWNTUMXHIJH-QTLCSOKXSA-N 1 3 316.464 3.924 20 0 DHADHO C[C@H](N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000906589714 1036012643 /nfs/dbraw/zinc/01/26/43/1036012643.db2.gz XCNJWNTUMXHIJH-QTLCSOKXSA-N 1 3 316.464 3.924 20 0 DHADHO C[C@H]([NH2+][C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000906589714 1036012653 /nfs/dbraw/zinc/01/26/53/1036012653.db2.gz XCNJWNTUMXHIJH-QTLCSOKXSA-N 1 3 316.464 3.924 20 0 DHADHO Cc1ccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)o1 ZINC001203297581 1036015656 /nfs/dbraw/zinc/01/56/56/1036015656.db2.gz LGYWESNWEXVKJQ-UHFFFAOYSA-N 1 3 310.441 3.686 20 0 DHADHO Cc1ccc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)o1 ZINC001203297581 1036015679 /nfs/dbraw/zinc/01/56/79/1036015679.db2.gz LGYWESNWEXVKJQ-UHFFFAOYSA-N 1 3 310.441 3.686 20 0 DHADHO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000540223117 1036019863 /nfs/dbraw/zinc/01/98/63/1036019863.db2.gz ZYPHJTUQFYFRIC-DOXZYTNZSA-N 1 3 316.489 3.792 20 0 DHADHO C[C@@H]([NH2+]CCCc1ccsc1)[C@H]1CCCN(C2CCC2)C1 ZINC000541603146 1036387300 /nfs/dbraw/zinc/38/73/00/1036387300.db2.gz NRNQSERGGMKCOJ-WBVHZDCISA-N 1 3 306.519 3.923 20 0 DHADHO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)sc1Br ZINC000491549422 1036601901 /nfs/dbraw/zinc/60/19/01/1036601901.db2.gz VOFTXWSYQVJEST-MWLCHTKSSA-N 1 3 319.312 3.667 20 0 DHADHO CC1(c2ccccc2)CC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000668817854 1036819457 /nfs/dbraw/zinc/81/94/57/1036819457.db2.gz AYFJAEAMAVUIDN-PELRDEGISA-N 1 3 312.501 3.818 20 0 DHADHO COc1cc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)ccc1C ZINC000924832565 1036924070 /nfs/dbraw/zinc/92/40/70/1036924070.db2.gz UAILTBFUMFOWPX-MRXNPFEDSA-N 1 3 312.457 3.916 20 0 DHADHO COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000237254352 1037000349 /nfs/dbraw/zinc/00/03/49/1037000349.db2.gz VPFREAGWHSQUKK-MSOLQXFVSA-N 1 3 318.505 3.728 20 0 DHADHO CC(C)[C@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CS1 ZINC000488428735 1037015642 /nfs/dbraw/zinc/01/56/42/1037015642.db2.gz DLBRGXJJEBMTLQ-ZWKOTPCHSA-N 1 3 310.551 3.761 20 0 DHADHO CC(C)[C@H]1C[C@H](NC2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000488428735 1037015664 /nfs/dbraw/zinc/01/56/64/1037015664.db2.gz DLBRGXJJEBMTLQ-ZWKOTPCHSA-N 1 3 310.551 3.761 20 0 DHADHO Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000309786048 1037179769 /nfs/dbraw/zinc/17/97/69/1037179769.db2.gz MXFVISSASPJUEK-WIYYLYMNSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1cccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309786048 1037179776 /nfs/dbraw/zinc/17/97/76/1037179776.db2.gz MXFVISSASPJUEK-WIYYLYMNSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1cccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309786048 1037179785 /nfs/dbraw/zinc/17/97/85/1037179785.db2.gz MXFVISSASPJUEK-WIYYLYMNSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205913720 1037573835 /nfs/dbraw/zinc/57/38/35/1037573835.db2.gz JGLYOAKBKMRDCJ-OLZOCXBDSA-N 1 3 300.368 3.573 20 0 DHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(F)c1 ZINC000397999088 1037577589 /nfs/dbraw/zinc/57/75/89/1037577589.db2.gz DHMRIXGQCBFADQ-JXFKEZNVSA-N 1 3 312.432 3.826 20 0 DHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(F)c1 ZINC000397999088 1037577596 /nfs/dbraw/zinc/57/75/96/1037577596.db2.gz DHMRIXGQCBFADQ-JXFKEZNVSA-N 1 3 312.432 3.826 20 0 DHADHO CC(C)(C)OC1CC([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000490137656 1037620251 /nfs/dbraw/zinc/62/02/51/1037620251.db2.gz RSKKRRUNNOGRMC-UHFFFAOYSA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)(C)OC1CC(NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000490137656 1037620264 /nfs/dbraw/zinc/62/02/64/1037620264.db2.gz RSKKRRUNNOGRMC-UHFFFAOYSA-N 1 3 308.510 3.577 20 0 DHADHO c1cc(CN2CCC3(C2)CC[NH+](CCc2ccccc2)CC3)co1 ZINC001201598475 1037778926 /nfs/dbraw/zinc/77/89/26/1037778926.db2.gz POOBXSGIQSIZJO-UHFFFAOYSA-N 1 3 324.468 3.810 20 0 DHADHO CSCCCN1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001201695758 1037844496 /nfs/dbraw/zinc/84/44/96/1037844496.db2.gz DJIRPKFUVPVAEX-IBGZPJMESA-N 1 3 318.530 3.728 20 0 DHADHO CSCCCN1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001201695758 1037844516 /nfs/dbraw/zinc/84/45/16/1037844516.db2.gz DJIRPKFUVPVAEX-IBGZPJMESA-N 1 3 318.530 3.728 20 0 DHADHO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000186330597 1037890612 /nfs/dbraw/zinc/89/06/12/1037890612.db2.gz NBAWZKYTDJFAPP-LPHOPBHVSA-N 1 3 317.521 3.530 20 0 DHADHO CN1CCCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494456736 1038106922 /nfs/dbraw/zinc/10/69/22/1038106922.db2.gz YBONHWOZUKALCD-KURKYZTESA-N 1 3 322.880 3.634 20 0 DHADHO C/C(=C/c1ccccc1OC(F)F)CNC[C@H]1CCC[N@@H+](C)C1 ZINC000571813103 1038256019 /nfs/dbraw/zinc/25/60/19/1038256019.db2.gz WFMKCKKRXUOVDB-BAAYTWLHSA-N 1 3 324.415 3.623 20 0 DHADHO C/C(=C/c1ccccc1OC(F)F)CNC[C@H]1CCC[N@H+](C)C1 ZINC000571813103 1038256033 /nfs/dbraw/zinc/25/60/33/1038256033.db2.gz WFMKCKKRXUOVDB-BAAYTWLHSA-N 1 3 324.415 3.623 20 0 DHADHO C/C(=C\c1ccccc1OC(F)F)CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000571813106 1038256626 /nfs/dbraw/zinc/25/66/26/1038256626.db2.gz WFMKCKKRXUOVDB-IPJDOKCGSA-N 1 3 324.415 3.623 20 0 DHADHO C/C(=C\c1ccccc1OC(F)F)CNC[C@@H]1CCC[N@H+](C)C1 ZINC000571813106 1038256641 /nfs/dbraw/zinc/25/66/41/1038256641.db2.gz WFMKCKKRXUOVDB-IPJDOKCGSA-N 1 3 324.415 3.623 20 0 DHADHO CC(C)(C)OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000571865761 1038263955 /nfs/dbraw/zinc/26/39/55/1038263955.db2.gz OOQAHZCBIKGPJZ-REPLKXPHSA-N 1 3 316.489 3.587 20 0 DHADHO CC(C)(C)OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000571865761 1038263970 /nfs/dbraw/zinc/26/39/70/1038263970.db2.gz OOQAHZCBIKGPJZ-REPLKXPHSA-N 1 3 316.489 3.587 20 0 DHADHO CC[NH+](CC)Cc1ccccc1CNCc1n[nH]c2ccccc12 ZINC000589638405 1038525375 /nfs/dbraw/zinc/52/53/75/1038525375.db2.gz YRSKHFXHCDAZLY-UHFFFAOYSA-N 1 3 322.456 3.695 20 0 DHADHO CC[NH+](CC)Cc1ccccc1CNCc1[nH]nc2ccccc21 ZINC000589638405 1038525378 /nfs/dbraw/zinc/52/53/78/1038525378.db2.gz YRSKHFXHCDAZLY-UHFFFAOYSA-N 1 3 322.456 3.695 20 0 DHADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1n[nH]c2ccccc12 ZINC000589640748 1038526285 /nfs/dbraw/zinc/52/62/85/1038526285.db2.gz PFVAKTUKYOZBIN-UHFFFAOYSA-N 1 3 322.456 3.693 20 0 DHADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1n[nH]c2ccccc12 ZINC000589640748 1038526294 /nfs/dbraw/zinc/52/62/94/1038526294.db2.gz PFVAKTUKYOZBIN-UHFFFAOYSA-N 1 3 322.456 3.693 20 0 DHADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1[nH]nc2ccccc21 ZINC000589640748 1038526297 /nfs/dbraw/zinc/52/62/97/1038526297.db2.gz PFVAKTUKYOZBIN-UHFFFAOYSA-N 1 3 322.456 3.693 20 0 DHADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1[nH]nc2ccccc21 ZINC000589640748 1038526302 /nfs/dbraw/zinc/52/63/02/1038526302.db2.gz PFVAKTUKYOZBIN-UHFFFAOYSA-N 1 3 322.456 3.693 20 0 DHADHO c1coc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001203290001 1038556197 /nfs/dbraw/zinc/55/61/97/1038556197.db2.gz SWIVRQDWNSDVBZ-OALUTQOASA-N 1 3 310.441 3.624 20 0 DHADHO c1coc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001203290001 1038556203 /nfs/dbraw/zinc/55/62/03/1038556203.db2.gz SWIVRQDWNSDVBZ-OALUTQOASA-N 1 3 310.441 3.624 20 0 DHADHO CCC[NH+]1CCC(/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])CC1 ZINC000061002226 1038849689 /nfs/dbraw/zinc/84/96/89/1038849689.db2.gz USGUBSJYCWDLSE-HMMYKYKNSA-N 1 3 317.477 3.532 20 0 DHADHO COc1cccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC000669679782 1038971940 /nfs/dbraw/zinc/97/19/40/1038971940.db2.gz PMYUDDQSFPJGMO-IYBDPMFKSA-N 1 3 322.468 3.682 20 0 DHADHO COc1cccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC000669679782 1038971952 /nfs/dbraw/zinc/97/19/52/1038971952.db2.gz PMYUDDQSFPJGMO-IYBDPMFKSA-N 1 3 322.468 3.682 20 0 DHADHO CC(C)c1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603517312 1039034683 /nfs/dbraw/zinc/03/46/83/1039034683.db2.gz OKDBDHKAGHTCGZ-HXUWFJFHSA-N 1 3 316.489 3.543 20 0 DHADHO COC1(CCN2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000574058041 1039397827 /nfs/dbraw/zinc/39/78/27/1039397827.db2.gz PVXBVGCIOVZSST-GOSISDBHSA-N 1 3 308.510 3.534 20 0 DHADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@H]1CCc2cc(F)ccc2C1 ZINC001168404680 1039795933 /nfs/dbraw/zinc/79/59/33/1039795933.db2.gz NBNYXHNJMJAOEN-KRWDZBQOSA-N 1 3 304.453 3.663 20 0 DHADHO CSCC1(CC[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000594974222 1039949246 /nfs/dbraw/zinc/94/92/46/1039949246.db2.gz IQFDAQQFRUOWCI-UHFFFAOYSA-N 1 3 310.551 3.906 20 0 DHADHO CCSC1(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000595098485 1040082984 /nfs/dbraw/zinc/08/29/84/1040082984.db2.gz GMQQJIUGVPBQKH-NVXWUHKLSA-N 1 3 310.551 3.905 20 0 DHADHO CSCC1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000596094289 1040305746 /nfs/dbraw/zinc/30/57/46/1040305746.db2.gz JOTTXLORRYUVKM-ADKAHSJRSA-N 1 3 310.551 3.620 20 0 DHADHO OCCCCCCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000173644553 1040355338 /nfs/dbraw/zinc/35/53/38/1040355338.db2.gz NLURDQXJSMTXON-LJQANCHMSA-N 1 3 310.526 3.517 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(C)ccc1OC ZINC000093397063 193243777 /nfs/dbraw/zinc/24/37/77/193243777.db2.gz ITEXAFWVUJTAAO-CRAIPNDOSA-N 1 3 302.462 3.529 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(Br)cc1 ZINC000020128986 182190083 /nfs/dbraw/zinc/19/00/83/182190083.db2.gz REONTDXYVADSCN-ZDUSSCGKSA-N 1 3 311.267 3.586 20 0 DHADHO CC1CC[NH+](Cc2ccccc2CN[C@@H]2CCOC2(C)C)CC1 ZINC000340185575 131019695 /nfs/dbraw/zinc/01/96/95/131019695.db2.gz SFFFDWJGJOUYAH-LJQANCHMSA-N 1 3 316.489 3.576 20 0 DHADHO C[C@H]([NH2+]CCCC(C)(F)F)c1cccc(OCCN(C)C)c1 ZINC000297472032 132017000 /nfs/dbraw/zinc/01/70/00/132017000.db2.gz YREKMXGUYIUAHY-AWEZNQCLSA-N 1 3 314.420 3.713 20 0 DHADHO c1ccc([C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000297481233 132018405 /nfs/dbraw/zinc/01/84/05/132018405.db2.gz SGUSPOWXLKKWEV-OAQYLSRUSA-N 1 3 321.468 3.834 20 0 DHADHO C[C@H](c1ccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)cc1)C(F)(F)F ZINC000297523459 132020255 /nfs/dbraw/zinc/02/02/55/132020255.db2.gz OQYCDCKCOPJNKA-HIFRSBDPSA-N 1 3 314.395 3.736 20 0 DHADHO C[C@H](c1ccc(C[N@H+]2CC[C@@H](CN(C)C)C2)cc1)C(F)(F)F ZINC000297523459 132020257 /nfs/dbraw/zinc/02/02/57/132020257.db2.gz OQYCDCKCOPJNKA-HIFRSBDPSA-N 1 3 314.395 3.736 20 0 DHADHO CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297634778 132026014 /nfs/dbraw/zinc/02/60/14/132026014.db2.gz MFCSNJRKTKJOTG-ZWKOTPCHSA-N 1 3 319.518 3.704 20 0 DHADHO CCS[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297634769 132026530 /nfs/dbraw/zinc/02/65/30/132026530.db2.gz MFCSNJRKTKJOTG-MSOLQXFVSA-N 1 3 319.518 3.704 20 0 DHADHO c1oc2ccccc2c1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298290699 132054331 /nfs/dbraw/zinc/05/43/31/132054331.db2.gz HEIWAAGRNVITHF-UHFFFAOYSA-N 1 3 307.397 3.586 20 0 DHADHO c1ccc([C@H]([NH2+]C2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000298490873 132065148 /nfs/dbraw/zinc/06/51/48/132065148.db2.gz PYBMAXABKUWSDT-FQEVSTJZSA-N 1 3 307.441 3.791 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000127611430 332007454 /nfs/dbraw/zinc/00/74/54/332007454.db2.gz SAGPGXUUZQOAGN-OWCLPIDISA-N 1 3 306.519 3.926 20 0 DHADHO C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)N1CCCC[C@@H]1C ZINC000584251251 332013999 /nfs/dbraw/zinc/01/39/99/332013999.db2.gz FYNPDZIJZZQLNT-ROUUACIJSA-N 1 3 321.553 3.636 20 0 DHADHO Cc1cccc2oc(CC[NH2+]C3CCN(C(C)(C)C)CC3)nc21 ZINC000410358845 332117164 /nfs/dbraw/zinc/11/71/64/332117164.db2.gz KMPLZVXQMCPXIE-UHFFFAOYSA-N 1 3 315.461 3.531 20 0 DHADHO COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC[C@H]1C)CC2 ZINC000317730343 332139778 /nfs/dbraw/zinc/13/97/78/332139778.db2.gz VRTRBUABNLGSQG-DNVCBOLYSA-N 1 3 302.462 3.537 20 0 DHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1ccc(C[NH3+])cc1 ZINC000569605637 332198679 /nfs/dbraw/zinc/19/86/79/332198679.db2.gz QSVIIHCKBWKLDE-IBGZPJMESA-N 1 3 310.441 3.666 20 0 DHADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cccc(Br)c1 ZINC000569605952 332199868 /nfs/dbraw/zinc/19/98/68/332199868.db2.gz YKXCUVDMJQUQCH-GFCCVEGCSA-N 1 3 319.246 3.759 20 0 DHADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000426048850 335095527 /nfs/dbraw/zinc/09/55/27/335095527.db2.gz JPOQIGKLUVMUPC-NVXWUHKLSA-N 1 3 318.461 3.749 20 0 DHADHO COC[C@@H](NCCCCC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000559891777 332289733 /nfs/dbraw/zinc/28/97/33/332289733.db2.gz TZGOEQREKDLHHM-GOSISDBHSA-N 1 3 324.896 3.883 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1 ZINC000560245147 332323007 /nfs/dbraw/zinc/32/30/07/332323007.db2.gz HMGNSQYBRXCQSS-BHIYHBOVSA-N 1 3 316.489 3.554 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1 ZINC000560245147 332323008 /nfs/dbraw/zinc/32/30/08/332323008.db2.gz HMGNSQYBRXCQSS-BHIYHBOVSA-N 1 3 316.489 3.554 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1 ZINC000560245147 332323010 /nfs/dbraw/zinc/32/30/10/332323010.db2.gz HMGNSQYBRXCQSS-BHIYHBOVSA-N 1 3 316.489 3.554 20 0 DHADHO CC(C)[C@@H](CO)[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000449513004 332330296 /nfs/dbraw/zinc/33/02/96/332330296.db2.gz RCXAWSSUCIVBOZ-WOJBJXKFSA-N 1 3 324.553 3.662 20 0 DHADHO COCc1ccccc1/C=C(\C)CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000560524370 332350623 /nfs/dbraw/zinc/35/06/23/332350623.db2.gz WFYRLQJMEBRFJF-RLGUWMIQSA-N 1 3 316.489 3.556 20 0 DHADHO COCc1ccccc1/C=C(\C)CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000560524370 332350625 /nfs/dbraw/zinc/35/06/25/332350625.db2.gz WFYRLQJMEBRFJF-RLGUWMIQSA-N 1 3 316.489 3.556 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Sc1ccccc1 ZINC000560525158 332351363 /nfs/dbraw/zinc/35/13/63/332351363.db2.gz XLYDWXYMYXEVNA-VDHUWJSZSA-N 1 3 304.503 3.630 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Sc1ccccc1 ZINC000560525158 332351365 /nfs/dbraw/zinc/35/13/65/332351365.db2.gz XLYDWXYMYXEVNA-VDHUWJSZSA-N 1 3 304.503 3.630 20 0 DHADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Oc2cccnc2)cc1 ZINC000570227211 332729011 /nfs/dbraw/zinc/72/90/11/332729011.db2.gz ZFZCIAYFCHGLKI-UAGQMJEPSA-N 1 3 311.429 3.794 20 0 DHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C(C4CC4)C4CC4)[C@@H]3C2)cc1 ZINC000180159254 333027019 /nfs/dbraw/zinc/02/70/19/333027019.db2.gz QUKNDIITXQNBDG-ZCNNSNEGSA-N 1 3 310.485 3.675 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(Br)cc1 ZINC000181133283 333029010 /nfs/dbraw/zinc/02/90/10/333029010.db2.gz CJZZCIOPVLPDQJ-SWLSCSKDSA-N 1 3 311.267 3.584 20 0 DHADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccnc1 ZINC000112546550 333093775 /nfs/dbraw/zinc/09/37/75/333093775.db2.gz FFKMSHBGOZOKCJ-ZNDGOPKYSA-N 1 3 321.468 3.928 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000190835356 335124018 /nfs/dbraw/zinc/12/40/18/335124018.db2.gz FVCHMQBXWDKGPJ-ZDUSSCGKSA-N 1 3 312.379 3.588 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCCCCOCc2ccccc2)c2ccccc21 ZINC000390598211 333304651 /nfs/dbraw/zinc/30/46/51/333304651.db2.gz UYVOHSHXCQGMGG-VQTJNVASSA-N 1 3 310.441 3.718 20 0 DHADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000390680913 333314693 /nfs/dbraw/zinc/31/46/93/333314693.db2.gz VUANSVAQLQWXDL-FXUDXRNXSA-N 1 3 300.437 3.712 20 0 DHADHO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000390680913 333314694 /nfs/dbraw/zinc/31/46/94/333314694.db2.gz VUANSVAQLQWXDL-FXUDXRNXSA-N 1 3 300.437 3.712 20 0 DHADHO C[C@@](O)(C[NH2+]C1CCN(C2CCCCC2)CC1)C1CCCCC1 ZINC000188672815 333384976 /nfs/dbraw/zinc/38/49/76/333384976.db2.gz OEBAWTVVXWWQAE-HXUWFJFHSA-N 1 3 322.537 3.704 20 0 DHADHO C[C@@](O)(CNC1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000188672815 333384977 /nfs/dbraw/zinc/38/49/77/333384977.db2.gz OEBAWTVVXWWQAE-HXUWFJFHSA-N 1 3 322.537 3.704 20 0 DHADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000571037905 333484474 /nfs/dbraw/zinc/48/44/74/333484474.db2.gz PVSILOYFCVPOTB-UWWQBHOKSA-N 1 3 306.469 3.933 20 0 DHADHO COCC1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411267754 333647350 /nfs/dbraw/zinc/64/73/50/333647350.db2.gz SBTBJBFCFKMZIL-UHFFFAOYSA-N 1 3 316.489 3.531 20 0 DHADHO Cc1ccc(COc2ccc(CN3C[C@@H](C[NH3+])C[C@@H]3C)cc2)cc1 ZINC000414658362 334058602 /nfs/dbraw/zinc/05/86/02/334058602.db2.gz JHLSHOGOAPRHJM-FXAWDEMLSA-N 1 3 324.468 3.743 20 0 DHADHO Cc1ccc(COc2ccc(CN3CC[C@H]([C@@H](C)[NH3+])C3)cc2)cc1 ZINC000414662808 334060939 /nfs/dbraw/zinc/06/09/39/334060939.db2.gz QNFWGHMAZZVLAG-XLIONFOSSA-N 1 3 324.468 3.743 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)N(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414675887 334066975 /nfs/dbraw/zinc/06/69/75/334066975.db2.gz GVRDXKNSCDFHIH-RDBSUJKOSA-N 1 3 303.475 3.677 20 0 DHADHO C[C@H](CN(C)[C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414731108 334075276 /nfs/dbraw/zinc/07/52/76/334075276.db2.gz FDXUGRVMASILEK-CZUORRHYSA-N 1 3 314.395 3.883 20 0 DHADHO C[C@H](C[N@H+](C)[C@@H]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414731108 334075277 /nfs/dbraw/zinc/07/52/77/334075277.db2.gz FDXUGRVMASILEK-CZUORRHYSA-N 1 3 314.395 3.883 20 0 DHADHO C[C@H](C[N@@H+](C)[C@@H]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414731108 334075278 /nfs/dbraw/zinc/07/52/78/334075278.db2.gz FDXUGRVMASILEK-CZUORRHYSA-N 1 3 314.395 3.883 20 0 DHADHO FC(F)(F)c1ccccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773072 334090480 /nfs/dbraw/zinc/09/04/80/334090480.db2.gz CTDWBVHLHLZEEN-ZIAGYGMSSA-N 1 3 312.379 3.527 20 0 DHADHO CCOc1c(Cl)cccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781491 334093597 /nfs/dbraw/zinc/09/35/97/334093597.db2.gz MZZGQXMCMVRMHE-HUUCEWRRSA-N 1 3 322.880 3.560 20 0 DHADHO FC(F)(F)c1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000414783785 334094367 /nfs/dbraw/zinc/09/43/67/334094367.db2.gz REPJLCKRFJAEJB-CVEARBPZSA-N 1 3 312.379 3.683 20 0 DHADHO CC(C)[C@H]([NH3+])CN[C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414800603 334101523 /nfs/dbraw/zinc/10/15/23/334101523.db2.gz SFSIRAOGUZEPNR-IUODEOHRSA-N 1 3 302.384 3.599 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@H]2NC[C@H]([NH3+])C(C)C)cc1 ZINC000414804265 334103873 /nfs/dbraw/zinc/10/38/73/334103873.db2.gz XCRILPLAUAZQOP-GBESFXJTSA-N 1 3 304.478 3.683 20 0 DHADHO CCC([NH3+])(CC)CN[C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000414804481 334104016 /nfs/dbraw/zinc/10/40/16/334104016.db2.gz FGAWLQUSOWFYIV-ZDUSSCGKSA-N 1 3 314.420 3.716 20 0 DHADHO CCCC[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414816545 334107353 /nfs/dbraw/zinc/10/73/53/334107353.db2.gz PYYUKMXLUXSSCV-QAPCUYQASA-N 1 3 319.493 3.634 20 0 DHADHO C[C@H]([NH2+]CCCc1c(Cl)cccc1Cl)[C@@H]1CCCNC1 ZINC000414820917 334108501 /nfs/dbraw/zinc/10/85/01/334108501.db2.gz KMCUDQQDXYZIRF-QWHCGFSZSA-N 1 3 315.288 3.904 20 0 DHADHO C[C@H](NCCCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414820917 334108502 /nfs/dbraw/zinc/10/85/02/334108502.db2.gz KMCUDQQDXYZIRF-QWHCGFSZSA-N 1 3 315.288 3.904 20 0 DHADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414821085 334108547 /nfs/dbraw/zinc/10/85/47/334108547.db2.gz KPPRCDYTJVEHSE-CQDKDKBSSA-N 1 3 300.368 3.668 20 0 DHADHO C[C@H]([NH3+])CCN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414821085 334108548 /nfs/dbraw/zinc/10/85/48/334108548.db2.gz KPPRCDYTJVEHSE-CQDKDKBSSA-N 1 3 300.368 3.668 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000414852656 334127126 /nfs/dbraw/zinc/12/71/26/334127126.db2.gz KFERXEZAGOBOIG-VXGBXAGGSA-N 1 3 301.261 3.514 20 0 DHADHO C[C@@H]([NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)[C@@H]1CCCNC1 ZINC000414853571 334127164 /nfs/dbraw/zinc/12/71/64/334127164.db2.gz LBTWPHBOECPVPM-MSJBJCGKSA-N 1 3 300.490 3.937 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](N)C1)c1ccc(C(F)(F)F)cc1 ZINC000414920788 334181153 /nfs/dbraw/zinc/18/11/53/334181153.db2.gz ZGIGERYPAKOUTQ-DFBGVHRSSA-N 1 3 300.368 3.668 20 0 DHADHO N[C@H]1CCC[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000414932184 334195297 /nfs/dbraw/zinc/19/52/97/334195297.db2.gz VMQUTVQFHLJLDD-RYUDHWBXSA-N 1 3 301.261 3.786 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCCCc2c(Cl)cccc2Cl)C1 ZINC000414932184 334195298 /nfs/dbraw/zinc/19/52/98/334195298.db2.gz VMQUTVQFHLJLDD-RYUDHWBXSA-N 1 3 301.261 3.786 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000414933315 334196377 /nfs/dbraw/zinc/19/63/77/334196377.db2.gz DPOYVTBEVXPOSA-QLIIJSOBSA-N 1 3 316.489 3.698 20 0 DHADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)CCN1 ZINC000414943976 334203450 /nfs/dbraw/zinc/20/34/50/334203450.db2.gz FZYMWDOHUKMWKC-WFASDCNBSA-N 1 3 304.434 3.784 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000414949453 334206384 /nfs/dbraw/zinc/20/63/84/334206384.db2.gz NLEHGEQNKNNAQI-WSTLGDPDSA-N 1 3 316.489 3.840 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCN[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414952164 334207077 /nfs/dbraw/zinc/20/70/77/334207077.db2.gz QPCTVYJUJKLSDS-JMSVASOKSA-N 1 3 300.368 3.539 20 0 DHADHO C[C@H](CN[C@H]1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414952164 334207078 /nfs/dbraw/zinc/20/70/78/334207078.db2.gz QPCTVYJUJKLSDS-JMSVASOKSA-N 1 3 300.368 3.539 20 0 DHADHO C[C@H]1C[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)CCN1 ZINC000414951327 334207456 /nfs/dbraw/zinc/20/74/56/334207456.db2.gz PSEVIKLEKHMVCM-RYUDHWBXSA-N 1 3 301.261 3.656 20 0 DHADHO C[C@H]1C[C@@H](NCCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414951327 334207458 /nfs/dbraw/zinc/20/74/58/334207458.db2.gz PSEVIKLEKHMVCM-RYUDHWBXSA-N 1 3 301.261 3.656 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCN1 ZINC000414955762 334208245 /nfs/dbraw/zinc/20/82/45/334208245.db2.gz UOGRZDLIKDXPKY-DOMZBBRYSA-N 1 3 304.434 3.784 20 0 DHADHO C[C@H]1CNCC[C@@H]1[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414968218 334215259 /nfs/dbraw/zinc/21/52/59/334215259.db2.gz YEZHMGHEMIZFSS-LRDDRELGSA-N 1 3 304.434 3.642 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCNCC1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000414967835 334215300 /nfs/dbraw/zinc/21/53/00/334215300.db2.gz HSQGXMOMQCSZMJ-IUODEOHRSA-N 1 3 314.395 3.787 20 0 DHADHO C[C@H](CN[C@@H]1CC[NH2+]CC1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000414967835 334215301 /nfs/dbraw/zinc/21/53/01/334215301.db2.gz HSQGXMOMQCSZMJ-IUODEOHRSA-N 1 3 314.395 3.787 20 0 DHADHO COc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414996961 334235324 /nfs/dbraw/zinc/23/53/24/334235324.db2.gz PAXDAQVGSJGHLO-MFKMUULPSA-N 1 3 317.260 3.609 20 0 DHADHO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414997095 334235440 /nfs/dbraw/zinc/23/54/40/334235440.db2.gz HBTFRJDFCQMWPS-JQHSSLGASA-N 1 3 304.453 3.687 20 0 DHADHO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415012819 334258265 /nfs/dbraw/zinc/25/82/65/334258265.db2.gz XORKZSAXKOSCMU-DKSSEZFCSA-N 1 3 304.453 3.687 20 0 DHADHO c1ccc([C@@H]2C[C@@H](NCc3cccc4c3CCCN4)CC[NH2+]2)cc1 ZINC000415029104 334260068 /nfs/dbraw/zinc/26/00/68/334260068.db2.gz DECOAYXHONBGKK-RXVVDRJESA-N 1 3 321.468 3.628 20 0 DHADHO C[C@@H](CCCC[NH3+])NCc1csc(-c2ccc(F)cc2)n1 ZINC000415071288 334264205 /nfs/dbraw/zinc/26/42/05/334264205.db2.gz ZCPSAUXDTUURGF-LBPRGKRZSA-N 1 3 307.438 3.556 20 0 DHADHO C[C@@H](CNC[C@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415079460 334270797 /nfs/dbraw/zinc/27/07/97/334270797.db2.gz HYJFWPZRXKLHGN-RYUDHWBXSA-N 1 3 301.261 3.686 20 0 DHADHO C[C@@H](C[NH2+]C[C@H]1CCCNC1)c1c(Cl)cccc1Cl ZINC000415079460 334270798 /nfs/dbraw/zinc/27/07/98/334270798.db2.gz HYJFWPZRXKLHGN-RYUDHWBXSA-N 1 3 301.261 3.686 20 0 DHADHO c1ccc2c(c1)C1C[C@H](CN[C@@H]3CCC[NH2+]C3)C2c2ccccc21 ZINC000415100086 334279775 /nfs/dbraw/zinc/27/97/75/334279775.db2.gz HJRYAQHCUGHCOM-KILAXVPQSA-N 1 3 318.464 3.625 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCNCC1)C(c1ccccc1)c1ccccc1 ZINC000415094755 334280697 /nfs/dbraw/zinc/28/06/97/334280697.db2.gz YEQUTIYQINNEDV-FXAWDEMLSA-N 1 3 308.469 3.939 20 0 DHADHO Cc1ccccc1C(C)(C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415095284 334280906 /nfs/dbraw/zinc/28/09/06/334280906.db2.gz ZISCGSGJUZEBGR-NZSAHSFTSA-N 1 3 300.490 3.783 20 0 DHADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415101836 334282598 /nfs/dbraw/zinc/28/25/98/334282598.db2.gz IIUYEFSDERAHFA-ZENOOKHLSA-N 1 3 314.395 3.929 20 0 DHADHO CC(C)c1nc(CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)cs1 ZINC000415121725 334284589 /nfs/dbraw/zinc/28/45/89/334284589.db2.gz ZJLVZPIJCHMYQZ-LSDHHAIUSA-N 1 3 309.523 3.709 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415128855 334285294 /nfs/dbraw/zinc/28/52/94/334285294.db2.gz OJUUVVBLCXRVEH-APWZRJJASA-N 1 3 324.468 3.779 20 0 DHADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000425955489 334820546 /nfs/dbraw/zinc/82/05/46/334820546.db2.gz RWSFZPGKJRFOOP-BBRMVZONSA-N 1 3 300.437 3.664 20 0 DHADHO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(CN(C)C)c2)C12CCCC2 ZINC000344106425 335223656 /nfs/dbraw/zinc/22/36/56/335223656.db2.gz JXNLZZHWZDDNRZ-MOPGFXCFSA-N 1 3 316.489 3.576 20 0 DHADHO COc1cccc2c1CC[C@@H]2NCc1ccc(C[NH+](C)C)cc1 ZINC000344843703 335279552 /nfs/dbraw/zinc/27/95/52/335279552.db2.gz XKQMDNDKWGBMLF-IBGZPJMESA-N 1 3 310.441 3.534 20 0 DHADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1oc2ccccc2c1C ZINC000165966461 335294866 /nfs/dbraw/zinc/29/48/66/335294866.db2.gz QBVLGRNOYBATBJ-HZPDHXFCSA-N 1 3 318.461 3.749 20 0 DHADHO Cc1cc(C[NH2+]CC2=CCN(C)CC2)ccc1Oc1cccnc1 ZINC000345139968 335300961 /nfs/dbraw/zinc/30/09/61/335300961.db2.gz LNYBSBGATVVRES-UHFFFAOYSA-N 1 3 323.440 3.534 20 0 DHADHO CCC1([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000520269971 335952432 /nfs/dbraw/zinc/95/24/32/335952432.db2.gz HYXOEACQFFBVSW-SJLPKXTDSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCCC1)c1cccc(OC(F)F)c1 ZINC000192925199 336284513 /nfs/dbraw/zinc/28/45/13/336284513.db2.gz PXOLCFBLIARNLJ-AWEZNQCLSA-N 1 3 312.404 3.815 20 0 DHADHO Cc1ccc2nccc(N3CCC[C@H]([NH+]4CCCC4)CC3)c2c1 ZINC000302178959 336352591 /nfs/dbraw/zinc/35/25/91/336352591.db2.gz YLBHUBWQXFNZJG-KRWDZBQOSA-N 1 3 309.457 3.998 20 0 DHADHO Cc1cc(N2CCC[N@H+](CCCc3ccccc3)CC2)ccn1 ZINC000302574839 336361986 /nfs/dbraw/zinc/36/19/86/336361986.db2.gz QPLWDCSJUFXAIS-UHFFFAOYSA-N 1 3 309.457 3.535 20 0 DHADHO Cc1cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)ccn1 ZINC000302574839 336361987 /nfs/dbraw/zinc/36/19/87/336361987.db2.gz QPLWDCSJUFXAIS-UHFFFAOYSA-N 1 3 309.457 3.535 20 0 DHADHO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000314731969 336382490 /nfs/dbraw/zinc/38/24/90/336382490.db2.gz NFZPHTDNAQXXBV-IRXDYDNUSA-N 1 3 304.478 3.858 20 0 DHADHO c1ccc(C([NH2+]C[C@@H]2CCN(C3CC3)C2)c2ccccc2)cc1 ZINC000193508799 337034670 /nfs/dbraw/zinc/03/46/70/337034670.db2.gz IBWRLFYSDMFEJW-KRWDZBQOSA-N 1 3 306.453 3.850 20 0 DHADHO C([NH2+]C1CCN(CC2CCCCC2)CC1)[C@H]1CCCSC1 ZINC000376824962 337042161 /nfs/dbraw/zinc/04/21/61/337042161.db2.gz ZDRBPGASAHYFCV-QGZVFWFLSA-N 1 3 310.551 3.764 20 0 DHADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000377121615 337047122 /nfs/dbraw/zinc/04/71/22/337047122.db2.gz WJNLARLHTSEXDC-PZJWPPBQSA-N 1 3 323.484 3.959 20 0 DHADHO COc1cc([C@@H](C)N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1F ZINC000377893509 337063539 /nfs/dbraw/zinc/06/35/39/337063539.db2.gz JYJMIQWGPYHWGN-RHSMWYFYSA-N 1 3 320.452 3.559 20 0 DHADHO Oc1ccc(CC[NH2+]C2CCN(CC3CCCCC3)CC2)cc1 ZINC000378160302 337067407 /nfs/dbraw/zinc/06/74/07/337067407.db2.gz IVPGTEVTGNPNBN-UHFFFAOYSA-N 1 3 316.489 3.569 20 0 DHADHO Oc1ccc(CCNC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000378160302 337067408 /nfs/dbraw/zinc/06/74/08/337067408.db2.gz IVPGTEVTGNPNBN-UHFFFAOYSA-N 1 3 316.489 3.569 20 0 DHADHO CC(C)C[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CCO1 ZINC000378473148 337073819 /nfs/dbraw/zinc/07/38/19/337073819.db2.gz HWEKCXOFCWSGLS-IEBWSBKVSA-N 1 3 308.510 3.577 20 0 DHADHO CSC1(C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CCC1 ZINC000193811785 337080228 /nfs/dbraw/zinc/08/02/28/337080228.db2.gz SRJZHZAFPPVCTM-HNNXBMFYSA-N 1 3 322.518 3.563 20 0 DHADHO COc1cc(CN2CCC(CCC[NH+](C)C)CC2)ccc1C ZINC000194011287 337081170 /nfs/dbraw/zinc/08/11/70/337081170.db2.gz WYWNEHAPNFJSPO-UHFFFAOYSA-N 1 3 304.478 3.557 20 0 DHADHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1sccc1Br ZINC000514667428 337147647 /nfs/dbraw/zinc/14/76/47/337147647.db2.gz KJTLRYMOMHWXQQ-HBNTYKKESA-N 1 3 317.296 3.679 20 0 DHADHO Cc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000178034401 337160028 /nfs/dbraw/zinc/16/00/28/337160028.db2.gz PXHBJUBTPCZTIH-LZWOXQAQSA-N 1 3 324.534 3.905 20 0 DHADHO Cc1nc2c(s1)[C@@H]([NH2+]CC1(CN(C)C)CCCC1)CCC2 ZINC000183955309 337195839 /nfs/dbraw/zinc/19/58/39/337195839.db2.gz OIZIWBIUKMCDLF-AWEZNQCLSA-N 1 3 307.507 3.541 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2[C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000582932605 337215948 /nfs/dbraw/zinc/21/59/48/337215948.db2.gz KODCJMLLUGYMEY-WLRLJWMZSA-N 1 3 312.501 3.913 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2[C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000582932605 337215949 /nfs/dbraw/zinc/21/59/49/337215949.db2.gz KODCJMLLUGYMEY-WLRLJWMZSA-N 1 3 312.501 3.913 20 0 DHADHO C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583208731 337272286 /nfs/dbraw/zinc/27/22/86/337272286.db2.gz NSVCIPWDABNQBC-CYBMUJFWSA-N 1 3 316.395 3.804 20 0 DHADHO Cc1c[nH+]ccc1N(C)CCC1CCN(c2ccncc2)CC1 ZINC000192738574 337307336 /nfs/dbraw/zinc/30/73/36/337307336.db2.gz JPUSLYNYTIMIGX-UHFFFAOYSA-N 1 3 310.445 3.528 20 0 DHADHO CCCCOc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000583899640 337384767 /nfs/dbraw/zinc/38/47/67/337384767.db2.gz ZFDHLNBHTGCUHJ-AZUAARDMSA-N 1 3 316.489 3.782 20 0 DHADHO CCCCOc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000583899640 337384768 /nfs/dbraw/zinc/38/47/68/337384768.db2.gz ZFDHLNBHTGCUHJ-AZUAARDMSA-N 1 3 316.489 3.782 20 0 DHADHO C1CCC2(C1)C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CCO2 ZINC000127053140 337419018 /nfs/dbraw/zinc/41/90/18/337419018.db2.gz GYUZMGPOGRDFCK-SFHVURJKSA-N 1 3 320.521 3.865 20 0 DHADHO Clc1cccc2c1CC[C@@H]2N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420332220 337499400 /nfs/dbraw/zinc/49/94/00/337499400.db2.gz GJAGBVGVDXGETF-MSOLQXFVSA-N 1 3 304.865 3.791 20 0 DHADHO C[C@H](c1cccc(Cl)c1)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420391936 337500513 /nfs/dbraw/zinc/50/05/13/337500513.db2.gz OVPHRJDPYCVOKQ-JEBQAFNWSA-N 1 3 322.880 3.619 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc(COc2ccccc2)c1 ZINC000422737474 337684591 /nfs/dbraw/zinc/68/45/91/337684591.db2.gz ZMYNEVPDDSROGO-UWJYYQICSA-N 1 3 324.468 3.743 20 0 DHADHO Fc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCCC2)cc1 ZINC000422753498 337684999 /nfs/dbraw/zinc/68/49/99/337684999.db2.gz DVWXPUBAUHXGCM-DFNIBXOVSA-N 1 3 316.464 3.900 20 0 DHADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000422812937 337687888 /nfs/dbraw/zinc/68/78/88/337687888.db2.gz YMSOUZCJFXAMPC-HUUCEWRRSA-N 1 3 316.420 3.620 20 0 DHADHO COc1ccc(-c2ccc(CN[C@@H]3CCC[C@@H]3C[NH3+])s2)cc1 ZINC000422829863 337688219 /nfs/dbraw/zinc/68/82/19/337688219.db2.gz VBXOKOQEALZMKU-RHSMWYFYSA-N 1 3 316.470 3.641 20 0 DHADHO Cc1ccc2c(CC[NH2+][C@H](C)c3ccc(CN)nc3C)c[nH]c2c1 ZINC000422840641 337688640 /nfs/dbraw/zinc/68/86/40/337688640.db2.gz BWGLXHBXLLKSJR-CQSZACIVSA-N 1 3 322.456 3.532 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422904245 337690582 /nfs/dbraw/zinc/69/05/82/337690582.db2.gz GMLIMJHTJHWVHZ-RDJZCZTQSA-N 1 3 304.503 3.809 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422920642 337691378 /nfs/dbraw/zinc/69/13/78/337691378.db2.gz MLBNYJMWHAFVSX-BVPBIZIASA-N 1 3 322.880 3.618 20 0 DHADHO COc1ccc([C@@H](N[C@@H](C)CCC[NH3+])c2ccc(F)cc2)cc1 ZINC000422945666 337693026 /nfs/dbraw/zinc/69/30/26/337693026.db2.gz NPLMMVADRCIRQJ-LIRRHRJNSA-N 1 3 316.420 3.641 20 0 DHADHO C(=C/c1ccccc1)\CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422983550 337693703 /nfs/dbraw/zinc/69/37/03/337693703.db2.gz ZXKUKINPGWHDFY-HHGHRULOSA-N 1 3 320.436 3.545 20 0 DHADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(C2CCCCC2)CCCCC1 ZINC000423023339 337696116 /nfs/dbraw/zinc/69/61/16/337696116.db2.gz JPAPORCNLXKINI-WDSOQIARSA-N 1 3 322.537 3.859 20 0 DHADHO CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])c1cc(F)cc(Br)c1 ZINC000423062827 337697791 /nfs/dbraw/zinc/69/77/91/337697791.db2.gz NVOMBZDWYFWJEE-BHDSKKPTSA-N 1 3 317.246 3.755 20 0 DHADHO Fc1ccccc1[C@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423094738 337699247 /nfs/dbraw/zinc/69/92/47/337699247.db2.gz KQWUFLWEFKWGKT-DTTGVSNYSA-N 1 3 316.464 3.972 20 0 DHADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000423120973 337700359 /nfs/dbraw/zinc/70/03/59/337700359.db2.gz AEKPYNATMSXKQU-AEEMCCEDSA-N 1 3 316.464 3.972 20 0 DHADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423171074 337702300 /nfs/dbraw/zinc/70/23/00/337702300.db2.gz NIWCCDIISUCEFD-YOEHRIQHSA-N 1 3 306.881 3.640 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423204393 337703808 /nfs/dbraw/zinc/70/38/08/337703808.db2.gz AMXFHEIFAKFIEO-HTVCTNPSSA-N 1 3 312.910 3.871 20 0 DHADHO Cc1cc(OCCC[C@H](C)[NH2+]C[C@@H]2CCCNC2)ccc1Cl ZINC000423214558 337704691 /nfs/dbraw/zinc/70/46/91/337704691.db2.gz PCMWCEZMRFXIQC-JKSUJKDBSA-N 1 3 324.896 3.785 20 0 DHADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCNC1 ZINC000423220361 337705195 /nfs/dbraw/zinc/70/51/95/337705195.db2.gz YGTWAFWRONSLAT-DZGCQCFKSA-N 1 3 314.395 3.616 20 0 DHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC[C@H](C)[NH3+] ZINC000423223372 337705668 /nfs/dbraw/zinc/70/56/68/337705668.db2.gz GFLHKUJYJOTVTM-QWRGUYRKSA-N 1 3 307.438 3.646 20 0 DHADHO Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423277523 337709084 /nfs/dbraw/zinc/70/90/84/337709084.db2.gz OJBIXCNNIHLBGT-IACUBPJLSA-N 1 3 309.523 3.917 20 0 DHADHO CCc1nc(C)c([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000423292427 337710333 /nfs/dbraw/zinc/71/03/33/337710333.db2.gz MYJHCFYWGPLKIM-NWDGAFQWSA-N 1 3 303.475 3.884 20 0 DHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000423295771 337710635 /nfs/dbraw/zinc/71/06/35/337710635.db2.gz FOYBVMAZJAUWGJ-WDEREUQCSA-N 1 3 307.438 3.503 20 0 DHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC[C@@H](C)C[NH3+] ZINC000423295770 337710702 /nfs/dbraw/zinc/71/07/02/337710702.db2.gz FOYBVMAZJAUWGJ-QWRGUYRKSA-N 1 3 307.438 3.503 20 0 DHADHO COc1ccc([C@@H](NCCCC[NH3+])c2ccccc2Cl)cc1 ZINC000423336097 337712645 /nfs/dbraw/zinc/71/26/45/337712645.db2.gz UQQGJGSKJQAAFQ-GOSISDBHSA-N 1 3 318.848 3.767 20 0 DHADHO COc1ccc([C@H]2CCCC[C@H]2NCC[C@H]2CCC[NH2+]2)cc1F ZINC000423356944 337714028 /nfs/dbraw/zinc/71/40/28/337714028.db2.gz HQEOSHPOOHVVEY-JFIYKMOQSA-N 1 3 320.452 3.592 20 0 DHADHO Cc1ccccc1C[C@H]([NH2+]Cc1ccc2c(c1)CNC2)C1CC1 ZINC000423372817 337715182 /nfs/dbraw/zinc/71/51/82/337715182.db2.gz HFLYXMGTGQAGLG-NRFANRHFSA-N 1 3 306.453 3.709 20 0 DHADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000423405836 337715917 /nfs/dbraw/zinc/71/59/17/337715917.db2.gz UBLZCEGIYITBAK-IOASZLSFSA-N 1 3 314.395 3.614 20 0 DHADHO Fc1ccc([C@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423386670 337718006 /nfs/dbraw/zinc/71/80/06/337718006.db2.gz MHRUPGDNYNDIEQ-WOJBJXKFSA-N 1 3 310.416 3.855 20 0 DHADHO CC[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423437470 337719114 /nfs/dbraw/zinc/71/91/14/337719114.db2.gz MFYPZAKRALZDLZ-USXIJHARSA-N 1 3 322.880 3.777 20 0 DHADHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Br ZINC000423465400 337720798 /nfs/dbraw/zinc/72/07/98/337720798.db2.gz RQGJLRXCSIOTPG-YNEHKIRRSA-N 1 3 311.267 3.617 20 0 DHADHO C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000423522114 337724473 /nfs/dbraw/zinc/72/44/73/337724473.db2.gz XKWHNXVTVPJINY-GUTXKFCHSA-N 1 3 301.459 3.588 20 0 DHADHO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccc(OCCN(C)C)c1 ZINC000536837464 337735479 /nfs/dbraw/zinc/73/54/79/337735479.db2.gz GOMPAWXZZOCMNL-WBVHZDCISA-N 1 3 304.478 3.856 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccc(OCCN(C)C)c1 ZINC000536837452 337735534 /nfs/dbraw/zinc/73/55/34/337735534.db2.gz GOMPAWXZZOCMNL-NVXWUHKLSA-N 1 3 304.478 3.856 20 0 DHADHO C[NH+](C)CC1CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000533242395 337836906 /nfs/dbraw/zinc/83/69/06/337836906.db2.gz YFSZOWCPLYBXFP-UHFFFAOYSA-N 1 3 312.910 3.706 20 0 DHADHO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(OCCN(C)C)cc1 ZINC000120394490 337875065 /nfs/dbraw/zinc/87/50/65/337875065.db2.gz OQCZGTYTDRTZHF-YJBOKZPZSA-N 1 3 322.518 3.563 20 0 DHADHO COC(C)(C)C[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000121986083 337904959 /nfs/dbraw/zinc/90/49/59/337904959.db2.gz TZQZFAYIXQYOFQ-RYRKJORJSA-N 1 3 310.526 3.823 20 0 DHADHO C[C@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)[C@H]1CCCNC1 ZINC000514824907 337971369 /nfs/dbraw/zinc/97/13/69/337971369.db2.gz CFQXBIDITLEFKJ-CWRNSKLLSA-N 1 3 314.395 3.700 20 0 DHADHO CCOC1(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCCC1 ZINC000516497242 338013763 /nfs/dbraw/zinc/01/37/63/338013763.db2.gz LKIJCPMQKKSYED-MJGOQNOKSA-N 1 3 322.537 3.968 20 0 DHADHO CCOC1(C[NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CCCC1 ZINC000516497242 338013764 /nfs/dbraw/zinc/01/37/64/338013764.db2.gz LKIJCPMQKKSYED-MJGOQNOKSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000425923946 338019054 /nfs/dbraw/zinc/01/90/54/338019054.db2.gz MFFWCFVYWMQJIU-CZUORRHYSA-N 1 3 300.437 3.664 20 0 DHADHO Cc1ccc(CCC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cn1 ZINC000428270829 338045002 /nfs/dbraw/zinc/04/50/02/338045002.db2.gz WFEYTMLXEHAHRM-MJGOQNOKSA-N 1 3 315.505 3.565 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428872612 338063742 /nfs/dbraw/zinc/06/37/42/338063742.db2.gz RIQNEWOHZYBKAL-UHFFFAOYSA-N 1 3 306.397 3.731 20 0 DHADHO Cc1cc(OCC[N@@H+]2CC[C@]3(CCN(C)C3)C2)ccc1C(C)C ZINC000429016012 338068963 /nfs/dbraw/zinc/06/89/63/338068963.db2.gz AIWPUNUKYWRVSO-FQEVSTJZSA-N 1 3 316.489 3.525 20 0 DHADHO Cc1cc(OCC[N@H+]2CC[C@]3(CCN(C)C3)C2)ccc1C(C)C ZINC000429016012 338068964 /nfs/dbraw/zinc/06/89/64/338068964.db2.gz AIWPUNUKYWRVSO-FQEVSTJZSA-N 1 3 316.489 3.525 20 0 DHADHO C[C@H](CCSc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000431602316 338134495 /nfs/dbraw/zinc/13/44/95/338134495.db2.gz FQZOFXMAPXILFP-MSOLQXFVSA-N 1 3 318.530 3.975 20 0 DHADHO C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000431602316 338134496 /nfs/dbraw/zinc/13/44/96/338134496.db2.gz FQZOFXMAPXILFP-MSOLQXFVSA-N 1 3 318.530 3.975 20 0 DHADHO C[C@H](CCSc1ccccc1)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000431602316 338134497 /nfs/dbraw/zinc/13/44/97/338134497.db2.gz FQZOFXMAPXILFP-MSOLQXFVSA-N 1 3 318.530 3.975 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000435374871 338238303 /nfs/dbraw/zinc/23/83/03/338238303.db2.gz RUUZSBYBWNLSPO-HNAYVOBHSA-N 1 3 310.441 3.531 20 0 DHADHO CCN(Cc1cccc(-c2ccncc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435394446 338238834 /nfs/dbraw/zinc/23/88/34/338238834.db2.gz NKUIYPTUNBCVDI-FQEVSTJZSA-N 1 3 309.457 3.713 20 0 DHADHO CC(C)CCO[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000436293819 338266856 /nfs/dbraw/zinc/26/68/56/338266856.db2.gz DUQLZMQZRWOWBB-FCGDIQPGSA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)CCO[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000436293819 338266857 /nfs/dbraw/zinc/26/68/57/338266857.db2.gz DUQLZMQZRWOWBB-FCGDIQPGSA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000459426607 339028482 /nfs/dbraw/zinc/02/84/82/339028482.db2.gz MKZVIJRZYDBEQG-QHGAOEGBSA-N 1 3 300.490 3.817 20 0 DHADHO CC(C)[N@@H+]1CCC[C@H](CNC2CC(C)(c3ccccc3)C2)C1 ZINC000459426607 339028483 /nfs/dbraw/zinc/02/84/83/339028483.db2.gz MKZVIJRZYDBEQG-QHGAOEGBSA-N 1 3 300.490 3.817 20 0 DHADHO CC(C)[N@H+]1CCC[C@H](CNC2CC(C)(c3ccccc3)C2)C1 ZINC000459426607 339028484 /nfs/dbraw/zinc/02/84/84/339028484.db2.gz MKZVIJRZYDBEQG-QHGAOEGBSA-N 1 3 300.490 3.817 20 0 DHADHO c1cc(N2CCC(C[NH2+]Cc3ccc(C4CC4)cc3)CC2)ccn1 ZINC000459454043 339030065 /nfs/dbraw/zinc/03/00/65/339030065.db2.gz BJXAAXJKBBUZLQ-UHFFFAOYSA-N 1 3 321.468 3.965 20 0 DHADHO CC[C@H]1CCCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459577762 339036923 /nfs/dbraw/zinc/03/69/23/339036923.db2.gz WJTFBONWBHXBQQ-IRXDYDNUSA-N 1 3 301.478 3.856 20 0 DHADHO Clc1cccc(CC2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000459725337 339044585 /nfs/dbraw/zinc/04/45/85/339044585.db2.gz ZTRFSZXISHDILK-MSOLQXFVSA-N 1 3 318.892 3.879 20 0 DHADHO Clc1cccc(CC2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000459725337 339044586 /nfs/dbraw/zinc/04/45/86/339044586.db2.gz ZTRFSZXISHDILK-MSOLQXFVSA-N 1 3 318.892 3.879 20 0 DHADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000462787497 339088557 /nfs/dbraw/zinc/08/85/57/339088557.db2.gz KGSDYGJVRKARLF-USYVTKNRSA-N 1 3 322.537 3.539 20 0 DHADHO COc1ccc(F)cc1CNCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000462798362 339089579 /nfs/dbraw/zinc/08/95/79/339089579.db2.gz KNOQBVCPIKUCHN-IYBDPMFKSA-N 1 3 322.468 3.682 20 0 DHADHO COc1ccc(F)cc1CNCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000462798362 339089580 /nfs/dbraw/zinc/08/95/80/339089580.db2.gz KNOQBVCPIKUCHN-IYBDPMFKSA-N 1 3 322.468 3.682 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000463025053 339101084 /nfs/dbraw/zinc/10/10/84/339101084.db2.gz NRLSSDVXMVPAAI-SQNIBIBYSA-N 1 3 310.526 3.536 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000463025053 339101085 /nfs/dbraw/zinc/10/10/85/339101085.db2.gz NRLSSDVXMVPAAI-SQNIBIBYSA-N 1 3 310.526 3.536 20 0 DHADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000463025053 339101086 /nfs/dbraw/zinc/10/10/86/339101086.db2.gz NRLSSDVXMVPAAI-SQNIBIBYSA-N 1 3 310.526 3.536 20 0 DHADHO C[C@H](CC(F)(F)F)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463278334 339113007 /nfs/dbraw/zinc/11/30/07/339113007.db2.gz VNVPCWWXUIFEQJ-FMKPAKJESA-N 1 3 314.395 3.970 20 0 DHADHO C[C@H](CC(F)(F)F)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463278334 339113008 /nfs/dbraw/zinc/11/30/08/339113008.db2.gz VNVPCWWXUIFEQJ-FMKPAKJESA-N 1 3 314.395 3.970 20 0 DHADHO C1CCC(N2CCC([NH2+][C@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)C1 ZINC000466347973 339200293 /nfs/dbraw/zinc/20/02/93/339200293.db2.gz UTZAHIHOJBATPY-AOIWGVFYSA-N 1 3 320.521 3.578 20 0 DHADHO CC(C)c1ccc(CCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000468962396 339276031 /nfs/dbraw/zinc/27/60/31/339276031.db2.gz JWDAYEXOPJDCIA-IBGZPJMESA-N 1 3 300.490 3.770 20 0 DHADHO C[NH2+]CCC1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000469849844 339302648 /nfs/dbraw/zinc/30/26/48/339302648.db2.gz AVDTWVDTIIPCQG-UHFFFAOYSA-N 1 3 321.515 3.693 20 0 DHADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2cccc(F)c2)s1 ZINC000469857217 339302917 /nfs/dbraw/zinc/30/29/17/339302917.db2.gz SLGVESJXSQEIMT-OLZOCXBDSA-N 1 3 304.434 3.723 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cccc(OC4CCCC4)c3)C[C@@H]21 ZINC000469871228 339303399 /nfs/dbraw/zinc/30/33/99/339303399.db2.gz LJQKBPKXVCRIIW-LSTHTHJFSA-N 1 3 314.473 3.567 20 0 DHADHO COc1ccc([C@H]2CCCCCN2C[C@H]2CCC[NH2+]C2)cc1 ZINC000469880603 339303624 /nfs/dbraw/zinc/30/36/24/339303624.db2.gz NXKOKZVTIROTPZ-QFBILLFUSA-N 1 3 302.462 3.612 20 0 DHADHO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000469880603 339303625 /nfs/dbraw/zinc/30/36/25/339303625.db2.gz NXKOKZVTIROTPZ-QFBILLFUSA-N 1 3 302.462 3.612 20 0 DHADHO COc1ccc([C@H]2CCCCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000469880603 339303626 /nfs/dbraw/zinc/30/36/26/339303626.db2.gz NXKOKZVTIROTPZ-QFBILLFUSA-N 1 3 302.462 3.612 20 0 DHADHO COc1ccc([C@@H]2CCCCCN2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000469880601 339303723 /nfs/dbraw/zinc/30/37/23/339303723.db2.gz NXKOKZVTIROTPZ-APWZRJJASA-N 1 3 302.462 3.612 20 0 DHADHO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000469880601 339303724 /nfs/dbraw/zinc/30/37/24/339303724.db2.gz NXKOKZVTIROTPZ-APWZRJJASA-N 1 3 302.462 3.612 20 0 DHADHO COc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000469880601 339303725 /nfs/dbraw/zinc/30/37/25/339303725.db2.gz NXKOKZVTIROTPZ-APWZRJJASA-N 1 3 302.462 3.612 20 0 DHADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000470000555 339307987 /nfs/dbraw/zinc/30/79/87/339307987.db2.gz SKNNCYFMXCAJAN-HOCLYGCPSA-N 1 3 300.471 3.974 20 0 DHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000470968722 339333431 /nfs/dbraw/zinc/33/34/31/339333431.db2.gz NLEFMRBZUQAICC-SFHVURJKSA-N 1 3 320.908 3.936 20 0 DHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000470968722 339333432 /nfs/dbraw/zinc/33/34/32/339333432.db2.gz NLEFMRBZUQAICC-SFHVURJKSA-N 1 3 320.908 3.936 20 0 DHADHO Cc1ccc2[nH]c(C[NH2+]C[C@H]3CCCN(C(C)C)C3)cc2c1C ZINC000472049396 339360926 /nfs/dbraw/zinc/36/09/26/339360926.db2.gz QWAUAKPFWQDIJV-QGZVFWFLSA-N 1 3 313.489 3.995 20 0 DHADHO COc1cccc(C2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000472754997 339377063 /nfs/dbraw/zinc/37/70/63/339377063.db2.gz STUXJGJTYBKDDQ-IBGZPJMESA-N 1 3 316.489 3.749 20 0 DHADHO COc1cccc(C2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000472754997 339377064 /nfs/dbraw/zinc/37/70/64/339377064.db2.gz STUXJGJTYBKDDQ-IBGZPJMESA-N 1 3 316.489 3.749 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)[C@@H](C)C1 ZINC000473142400 339382644 /nfs/dbraw/zinc/38/26/44/339382644.db2.gz IUFKVJYELAOCKA-MGPUTAFESA-N 1 3 313.489 3.947 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)[C@@H](C)C1 ZINC000473142400 339382645 /nfs/dbraw/zinc/38/26/45/339382645.db2.gz IUFKVJYELAOCKA-MGPUTAFESA-N 1 3 313.489 3.947 20 0 DHADHO C[C@H]([NH2+]CCCCC1CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000499624730 340041420 /nfs/dbraw/zinc/04/14/20/340041420.db2.gz JICIJKAQNSHNSR-PKOBYXMFSA-N 1 3 322.537 3.826 20 0 DHADHO CCc1ccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000501063321 340073581 /nfs/dbraw/zinc/07/35/81/340073581.db2.gz NXXICVXSOLQEPP-UHFFFAOYSA-N 1 3 323.484 3.992 20 0 DHADHO CCc1ccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000501063321 340073582 /nfs/dbraw/zinc/07/35/82/340073582.db2.gz NXXICVXSOLQEPP-UHFFFAOYSA-N 1 3 323.484 3.992 20 0 DHADHO C[NH+](C)CCCC1CCN(CCOc2ccccc2Cl)CC1 ZINC000501785111 340088274 /nfs/dbraw/zinc/08/82/74/340088274.db2.gz KEIXTCNOFCPNCD-UHFFFAOYSA-N 1 3 324.896 3.773 20 0 DHADHO COc1cc([C@@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)ccc1F ZINC000504900025 340155325 /nfs/dbraw/zinc/15/53/25/340155325.db2.gz PZLOFGJNGBDITA-JKSUJKDBSA-N 1 3 322.468 3.997 20 0 DHADHO COc1cc([C@@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)ccc1F ZINC000504900025 340155326 /nfs/dbraw/zinc/15/53/26/340155326.db2.gz PZLOFGJNGBDITA-JKSUJKDBSA-N 1 3 322.468 3.997 20 0 DHADHO Cc1cc(CNCCC[N@@H+]2CCc3ccccc3C2)cc(C)c1O ZINC000506332264 340192643 /nfs/dbraw/zinc/19/26/43/340192643.db2.gz RFRDDFMIWCEBAX-UHFFFAOYSA-N 1 3 324.468 3.547 20 0 DHADHO Cc1cc(CNCCC[N@H+]2CCc3ccccc3C2)cc(C)c1O ZINC000506332264 340192644 /nfs/dbraw/zinc/19/26/44/340192644.db2.gz RFRDDFMIWCEBAX-UHFFFAOYSA-N 1 3 324.468 3.547 20 0 DHADHO C[NH+](C)CC1CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000506868189 340203104 /nfs/dbraw/zinc/20/31/04/340203104.db2.gz QTOYKGDOAFSQJG-UHFFFAOYSA-N 1 3 316.420 3.859 20 0 DHADHO CC(C)[C@@H](C)[N@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000507191960 340212296 /nfs/dbraw/zinc/21/22/96/340212296.db2.gz QNSBEEFSBQJAMU-QGZVFWFLSA-N 1 3 317.521 3.693 20 0 DHADHO CC(C)[C@@H](C)[N@@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000507191960 340212297 /nfs/dbraw/zinc/21/22/97/340212297.db2.gz QNSBEEFSBQJAMU-QGZVFWFLSA-N 1 3 317.521 3.693 20 0 DHADHO CCc1cccnc1[C@H](C)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000507467593 340221007 /nfs/dbraw/zinc/22/10/07/340221007.db2.gz GBBZZXQMRGUXHD-SJORKVTESA-N 1 3 303.494 3.949 20 0 DHADHO CCc1cccnc1[C@H](C)NCCCC[N@H+]1CCCC[C@H]1C ZINC000507467593 340221008 /nfs/dbraw/zinc/22/10/08/340221008.db2.gz GBBZZXQMRGUXHD-SJORKVTESA-N 1 3 303.494 3.949 20 0 DHADHO CCc1cccnc1[C@H](C)NCCCC[NH+]1CCC(C)CC1 ZINC000507472780 340221491 /nfs/dbraw/zinc/22/14/91/340221491.db2.gz RZVVNHDVDFNXPD-KRWDZBQOSA-N 1 3 303.494 3.807 20 0 DHADHO CCc1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000303137078 340304348 /nfs/dbraw/zinc/30/43/48/340304348.db2.gz CGFKDZGWESPKOZ-QFIPXVFZSA-N 1 3 322.496 3.903 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000510648055 340305022 /nfs/dbraw/zinc/30/50/22/340305022.db2.gz DIVJKGLONDHHMI-RBSFLKMASA-N 1 3 310.432 3.748 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510753228 340309734 /nfs/dbraw/zinc/30/97/34/340309734.db2.gz QHJQUKAMHNOBOQ-JKSUJKDBSA-N 1 3 324.459 3.996 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](CO)CC2CCCC2)CC1 ZINC000511019455 340318488 /nfs/dbraw/zinc/31/84/88/340318488.db2.gz SNWABXILZKHFHZ-UXPWSPDFSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H](CO)CC2CCCC2)CC1 ZINC000511019455 340318489 /nfs/dbraw/zinc/31/84/89/340318489.db2.gz SNWABXILZKHFHZ-UXPWSPDFSA-N 1 3 322.537 3.560 20 0 DHADHO CN(C)CC1(C[NH2+]C/C=C/c2ccc(F)c(F)c2)CCCC1 ZINC000511910248 340342642 /nfs/dbraw/zinc/34/26/42/340342642.db2.gz IFIVZQNRLQVLSJ-AATRIKPKSA-N 1 3 308.416 3.690 20 0 DHADHO CCCC(O)(CCC)CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000513223701 340398089 /nfs/dbraw/zinc/39/80/89/340398089.db2.gz NQLDTRYIFJPWKL-HKUYNNGSSA-N 1 3 324.553 3.950 20 0 DHADHO CCCC(O)(CCC)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000513223701 340398090 /nfs/dbraw/zinc/39/80/90/340398090.db2.gz NQLDTRYIFJPWKL-HKUYNNGSSA-N 1 3 324.553 3.950 20 0 DHADHO CC(=O)c1c(C)cc(C)c(CN2CCC(C[NH+](C)C)CC2)c1C ZINC000523669748 340632081 /nfs/dbraw/zinc/63/20/81/340632081.db2.gz WHFKUCPOAJREQQ-UHFFFAOYSA-N 1 3 316.489 3.588 20 0 DHADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1ccc(OC)cc1F ZINC000123778530 340794806 /nfs/dbraw/zinc/79/48/06/340794806.db2.gz HYZADNPCYZYYFD-GJZGRUSLSA-N 1 3 310.457 3.995 20 0 DHADHO CCC(CC)(CC)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000541090747 340958777 /nfs/dbraw/zinc/95/87/77/340958777.db2.gz WDQFRHREVVXPKO-RTBURBONSA-N 1 3 323.569 3.693 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCCS1)c1ccc(OCCN(C)C)cc1 ZINC000541568640 340975107 /nfs/dbraw/zinc/97/51/07/340975107.db2.gz ZQQJQRDFOFVDBZ-MAUKXSAKSA-N 1 3 322.518 3.563 20 0 DHADHO CCOc1c(Cl)cccc1CNCC1CC[NH+](CC)CC1 ZINC000564271455 341055081 /nfs/dbraw/zinc/05/50/81/341055081.db2.gz PHEPHCYPEPEPDY-UHFFFAOYSA-N 1 3 310.869 3.560 20 0 DHADHO CC(C)CN1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000131221484 341066657 /nfs/dbraw/zinc/06/66/57/341066657.db2.gz PMBONQOMUMQAGV-LJQANCHMSA-N 1 3 318.530 3.727 20 0 DHADHO C[C@@H](NCC(C)(C)C[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000132139594 341117164 /nfs/dbraw/zinc/11/71/64/341117164.db2.gz IUEXZBXCNCRDHJ-UONOGXRCSA-N 1 3 319.518 3.966 20 0 DHADHO c1ccc(SCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000079618793 341262235 /nfs/dbraw/zinc/26/22/35/341262235.db2.gz NSGBBNRPTSJOJY-UHFFFAOYSA-N 1 3 304.503 3.587 20 0 DHADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549147031 341287275 /nfs/dbraw/zinc/28/72/75/341287275.db2.gz CQYIYVVOKVYNOZ-HNJRGHQBSA-N 1 3 300.490 3.890 20 0 DHADHO COc1ccc(C)cc1[C@H](C)NCCCCC[NH+]1CCCC1 ZINC000550882143 341325328 /nfs/dbraw/zinc/32/53/28/341325328.db2.gz ILTVMKYEMHEPEZ-KRWDZBQOSA-N 1 3 304.478 3.920 20 0 DHADHO F[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000550932430 341327152 /nfs/dbraw/zinc/32/71/52/341327152.db2.gz WRZVNFWMQGANOV-XCDZQEORSA-N 1 3 302.437 3.662 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](NCc2c(C)cccc2C)[C@@H](C)C1 ZINC000246455360 341349245 /nfs/dbraw/zinc/34/92/45/341349245.db2.gz PMNJIJTVMPBLEY-ICSRJNTNSA-N 1 3 318.505 3.530 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](NCc2c(C)cccc2C)[C@@H](C)C1 ZINC000246455360 341349246 /nfs/dbraw/zinc/34/92/46/341349246.db2.gz PMNJIJTVMPBLEY-ICSRJNTNSA-N 1 3 318.505 3.530 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)C1 ZINC000246738280 341356656 /nfs/dbraw/zinc/35/66/56/341356656.db2.gz GNWLPCGZNOYYEL-YOEHRIQHSA-N 1 3 322.880 3.794 20 0 DHADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CCC)C2)cc1 ZINC000246840132 341357633 /nfs/dbraw/zinc/35/76/33/341357633.db2.gz CCSVKOXLJFCIJY-SJORKVTESA-N 1 3 304.478 3.858 20 0 DHADHO COc1ccc2cc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)ccc2c1 ZINC000246864498 341357907 /nfs/dbraw/zinc/35/79/07/341357907.db2.gz SNNBDPBSWPCSTA-PZJWPPBQSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)ccc2c1 ZINC000246864498 341357908 /nfs/dbraw/zinc/35/79/08/341357908.db2.gz SNNBDPBSWPCSTA-PZJWPPBQSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCCN4C)C3)ccc2c1 ZINC000246864498 341357909 /nfs/dbraw/zinc/35/79/09/341357909.db2.gz SNNBDPBSWPCSTA-PZJWPPBQSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCCN4C)C3)ccc2c1 ZINC000246864498 341357910 /nfs/dbraw/zinc/35/79/10/341357910.db2.gz SNNBDPBSWPCSTA-PZJWPPBQSA-N 1 3 324.468 3.765 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000247014209 341359893 /nfs/dbraw/zinc/35/98/93/341359893.db2.gz LJMNHFRCMSUMSH-RBSFLKMASA-N 1 3 317.502 3.720 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000247014209 341359894 /nfs/dbraw/zinc/35/98/94/341359894.db2.gz LJMNHFRCMSUMSH-RBSFLKMASA-N 1 3 317.502 3.720 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000247014209 341359895 /nfs/dbraw/zinc/35/98/95/341359895.db2.gz LJMNHFRCMSUMSH-RBSFLKMASA-N 1 3 317.502 3.720 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247126790 341361294 /nfs/dbraw/zinc/36/12/94/341361294.db2.gz AQFJWBQOVNXQMW-CRAIPNDOSA-N 1 3 322.880 3.525 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247126790 341361295 /nfs/dbraw/zinc/36/12/95/341361295.db2.gz AQFJWBQOVNXQMW-CRAIPNDOSA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247126790 341361296 /nfs/dbraw/zinc/36/12/96/341361296.db2.gz AQFJWBQOVNXQMW-CRAIPNDOSA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCCOc3cccc(Cl)c3)CC[C@H]21 ZINC000247126790 341361297 /nfs/dbraw/zinc/36/12/97/341361297.db2.gz AQFJWBQOVNXQMW-CRAIPNDOSA-N 1 3 322.880 3.525 20 0 DHADHO CC[N@@H+]1CC[C@H](NCCSc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000248040349 341372649 /nfs/dbraw/zinc/37/26/49/341372649.db2.gz SSYRIQKRPTTYKX-BBRMVZONSA-N 1 3 312.910 3.752 20 0 DHADHO CC[N@H+]1CC[C@H](NCCSc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000248040349 341372650 /nfs/dbraw/zinc/37/26/50/341372650.db2.gz SSYRIQKRPTTYKX-BBRMVZONSA-N 1 3 312.910 3.752 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCOc3cccc4ccccc43)CC[C@H]21 ZINC000248142543 341373917 /nfs/dbraw/zinc/37/39/17/341373917.db2.gz PVDJHTPQOWVRTA-UYAOXDASSA-N 1 3 324.468 3.635 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCOc3cccc4ccccc43)CC[C@H]21 ZINC000248142543 341373918 /nfs/dbraw/zinc/37/39/18/341373918.db2.gz PVDJHTPQOWVRTA-UYAOXDASSA-N 1 3 324.468 3.635 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CCCc3ccccc3Cl)CC[C@H]21 ZINC000248456836 341378387 /nfs/dbraw/zinc/37/83/87/341378387.db2.gz LWJYLMUKAVJDTE-FUHWJXTLSA-N 1 3 306.881 3.689 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CCCc3ccccc3Cl)CC[C@H]21 ZINC000248456836 341378388 /nfs/dbraw/zinc/37/83/88/341378388.db2.gz LWJYLMUKAVJDTE-FUHWJXTLSA-N 1 3 306.881 3.689 20 0 DHADHO CCCCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552225206 341379421 /nfs/dbraw/zinc/37/94/21/341379421.db2.gz DLUQLWHBEMPNLF-VAMGGRTRSA-N 1 3 316.489 3.828 20 0 DHADHO CCCCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552225206 341379422 /nfs/dbraw/zinc/37/94/22/341379422.db2.gz DLUQLWHBEMPNLF-VAMGGRTRSA-N 1 3 316.489 3.828 20 0 DHADHO CCCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000552225206 341379423 /nfs/dbraw/zinc/37/94/23/341379423.db2.gz DLUQLWHBEMPNLF-VAMGGRTRSA-N 1 3 316.489 3.828 20 0 DHADHO CC[NH+](CC)CCCN[C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000552270776 341382740 /nfs/dbraw/zinc/38/27/40/341382740.db2.gz BYEYZGMBCIOKRB-XUVXKRRUSA-N 1 3 318.505 3.659 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000552270776 341382741 /nfs/dbraw/zinc/38/27/41/341382741.db2.gz BYEYZGMBCIOKRB-XUVXKRRUSA-N 1 3 318.505 3.659 20 0 DHADHO CCCCOc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000552357850 341388885 /nfs/dbraw/zinc/38/88/85/341388885.db2.gz VCNCGCHKNQCBFJ-FQEVSTJZSA-N 1 3 316.489 3.783 20 0 DHADHO CCCCOc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000552357850 341388886 /nfs/dbraw/zinc/38/88/86/341388886.db2.gz VCNCGCHKNQCBFJ-FQEVSTJZSA-N 1 3 316.489 3.783 20 0 DHADHO CCCCOc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000552357851 341388931 /nfs/dbraw/zinc/38/89/31/341388931.db2.gz VCNCGCHKNQCBFJ-HXUWFJFHSA-N 1 3 316.489 3.783 20 0 DHADHO CCCCOc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000552357851 341388932 /nfs/dbraw/zinc/38/89/32/341388932.db2.gz VCNCGCHKNQCBFJ-HXUWFJFHSA-N 1 3 316.489 3.783 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000250699017 341407116 /nfs/dbraw/zinc/40/71/16/341407116.db2.gz SAGPGXUUZQOAGN-BZUAXINKSA-N 1 3 306.519 3.926 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168030 341476465 /nfs/dbraw/zinc/47/64/65/341476465.db2.gz OWZAXYSLPDTDLF-HOJAQTOUSA-N 1 3 300.490 3.890 20 0 DHADHO C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Oc2ccccc2)cn1 ZINC000566555846 341561703 /nfs/dbraw/zinc/56/17/03/341561703.db2.gz OLKLCZHBJGVQDD-HRCADAONSA-N 1 3 311.429 3.652 20 0 DHADHO Cc1ccccc1CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000157115491 341632784 /nfs/dbraw/zinc/63/27/84/341632784.db2.gz RVYGSZMZEVQWNF-KRWDZBQOSA-N 1 3 312.457 3.786 20 0 DHADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1sccc1Br ZINC000568856695 341683590 /nfs/dbraw/zinc/68/35/90/341683590.db2.gz TVBRXFNMMFYUDK-ZJUUUORDSA-N 1 3 305.285 3.679 20 0 DHADHO FC(F)Oc1ccccc1CNCCCCC[NH+]1CCCC1 ZINC000572728361 341702133 /nfs/dbraw/zinc/70/21/33/341702133.db2.gz MAUJDRQJHXOKMG-UHFFFAOYSA-N 1 3 312.404 3.644 20 0 DHADHO CCCC[C@@H](CC)CC[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000574486365 341760057 /nfs/dbraw/zinc/76/00/57/341760057.db2.gz BNVKMDKNHIRQHR-LJQANCHMSA-N 1 3 323.569 3.552 20 0 DHADHO CC[NH+]1CCC(CN[C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000577499010 341913002 /nfs/dbraw/zinc/91/30/02/341913002.db2.gz SRJOYDBDEAJZKA-ZDUSSCGKSA-N 1 3 310.869 3.731 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000191639046 518707867 /nfs/dbraw/zinc/70/78/67/518707867.db2.gz FWPYDJLEZLBXQN-QGZVFWFLSA-N 1 3 302.462 3.622 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337336593 519678432 /nfs/dbraw/zinc/67/84/32/519678432.db2.gz MGANYWAZRPXZBN-WSTZPKSXSA-N 1 3 315.505 3.818 20 0 DHADHO CC(=O)Nc1ccc([C@@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000182084569 519733163 /nfs/dbraw/zinc/73/31/63/519733163.db2.gz KSEHBVRFTRMQOK-KDOFPFPSSA-N 1 3 319.493 3.662 20 0 DHADHO CCC[C@H](N)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000236940780 521119219 /nfs/dbraw/zinc/11/92/19/521119219.db2.gz KVRAZWYBDMQNKR-KRWDZBQOSA-N 1 3 317.477 3.517 20 0 DHADHO CCC[C@H](N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000236940780 521119224 /nfs/dbraw/zinc/11/92/24/521119224.db2.gz KVRAZWYBDMQNKR-KRWDZBQOSA-N 1 3 317.477 3.517 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(-c2cccnc2)cc1 ZINC000181325499 525362908 /nfs/dbraw/zinc/36/29/08/525362908.db2.gz FQFFFYSRQZWHCW-OXJNMPFZSA-N 1 3 309.457 3.884 20 0 DHADHO C[C@H](NCc1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000131761023 525441761 /nfs/dbraw/zinc/44/17/61/525441761.db2.gz ILEGOVPAXTUSSH-HNNXBMFYSA-N 1 3 316.420 3.617 20 0 DHADHO Cc1cncc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000189863850 526192347 /nfs/dbraw/zinc/19/23/47/526192347.db2.gz AEBXRZRWFDAQEH-UHFFFAOYSA-N 1 3 323.484 3.734 20 0 DHADHO Cc1cncc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000189863850 526192355 /nfs/dbraw/zinc/19/23/55/526192355.db2.gz AEBXRZRWFDAQEH-UHFFFAOYSA-N 1 3 323.484 3.734 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccccn2)CC1 ZINC000158863799 526246823 /nfs/dbraw/zinc/24/68/23/526246823.db2.gz NEHKHUUJXLBDAE-KRWDZBQOSA-N 1 3 301.478 3.558 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccccn2)CC1 ZINC000158863799 526246826 /nfs/dbraw/zinc/24/68/26/526246826.db2.gz NEHKHUUJXLBDAE-KRWDZBQOSA-N 1 3 301.478 3.558 20 0 DHADHO CC1CC[NH+](Cc2cccc(CN[C@H]3CCOC3(C)C)c2)CC1 ZINC000340229288 535281657 /nfs/dbraw/zinc/28/16/57/535281657.db2.gz UCOMHCNCZHULRS-IBGZPJMESA-N 1 3 316.489 3.576 20 0 DHADHO CC1CCN(Cc2cccc(C[NH2+][C@H]3CCOC3(C)C)c2)CC1 ZINC000340229288 535281662 /nfs/dbraw/zinc/28/16/62/535281662.db2.gz UCOMHCNCZHULRS-IBGZPJMESA-N 1 3 316.489 3.576 20 0 DHADHO C[NH+](C)C1CCC(NCc2c(F)ccc(Cl)c2F)CC1 ZINC001168294715 1032067935 /nfs/dbraw/zinc/06/79/35/1032067935.db2.gz DBQNSFRGCUGBHL-UHFFFAOYSA-N 1 3 302.796 3.581 20 0 DHADHO CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1C)C1CCNCC1 ZINC000261970002 1013187102 /nfs/dbraw/zinc/18/71/02/1013187102.db2.gz QEBLJNNIWFPTLY-UHFFFAOYSA-N 1 3 314.395 3.978 20 0 DHADHO CCCN(Cc1ccc(C(F)(F)F)cc1C)C1CC[NH2+]CC1 ZINC000261970002 1013187109 /nfs/dbraw/zinc/18/71/09/1013187109.db2.gz QEBLJNNIWFPTLY-UHFFFAOYSA-N 1 3 314.395 3.978 20 0 DHADHO CCC[N@H+](Cc1ccc(C(F)(F)F)cc1C)C1CCNCC1 ZINC000261970002 1013187099 /nfs/dbraw/zinc/18/70/99/1013187099.db2.gz QEBLJNNIWFPTLY-UHFFFAOYSA-N 1 3 314.395 3.978 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCOC(C)(C)C3)CC2)C1 ZINC000119377775 1013372703 /nfs/dbraw/zinc/37/27/03/1013372703.db2.gz VFRDCYFHEPZCGH-NXHRZFHOSA-N 1 3 308.510 3.577 20 0 DHADHO FC1(F)CC2(CC([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)C1 ZINC001167974215 1013412962 /nfs/dbraw/zinc/41/29/62/1013412962.db2.gz RFHCKCIUWAJEHO-VHRNVKJDSA-N 1 3 310.432 3.559 20 0 DHADHO COc1cc([C@H](C)NCc2ccc(C[NH3+])cc2)ccc1SC ZINC000519651675 1013586942 /nfs/dbraw/zinc/58/69/42/1013586942.db2.gz DRUBOACEOFSTDE-ZDUSSCGKSA-N 1 3 316.470 3.727 20 0 DHADHO Cc1ccc2c(c1)nccc2-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167988291 1013609085 /nfs/dbraw/zinc/60/90/85/1013609085.db2.gz WQFAUOCXEJTBJU-UHFFFAOYSA-N 1 3 317.392 3.694 20 0 DHADHO C[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000655758648 1013694339 /nfs/dbraw/zinc/69/43/39/1013694339.db2.gz CIVWQUJNPZFRCD-KDOFPFPSSA-N 1 3 322.880 3.634 20 0 DHADHO C[C@H](c1cc(F)ccc1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978603 1013788114 /nfs/dbraw/zinc/78/81/14/1013788114.db2.gz VNBFPLZERNVAPY-RBSFLKMASA-N 1 3 308.416 3.737 20 0 DHADHO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(Cl)c1 ZINC000655942668 1013839020 /nfs/dbraw/zinc/83/90/20/1013839020.db2.gz WXKXGRLSONURIC-NXHRZFHOSA-N 1 3 322.880 3.509 20 0 DHADHO [NH3+]CCC1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000568403379 1014223777 /nfs/dbraw/zinc/22/37/77/1014223777.db2.gz WKOUQXOWQYHHAT-UHFFFAOYSA-N 1 3 319.836 3.556 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000361763527 1032087048 /nfs/dbraw/zinc/08/70/48/1032087048.db2.gz FDOYDBDZMXDUKV-FTRWYGJKSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000361763527 1032087060 /nfs/dbraw/zinc/08/70/60/1032087060.db2.gz FDOYDBDZMXDUKV-FTRWYGJKSA-N 1 3 309.457 3.882 20 0 DHADHO c1cnc2c(c1)cccc2CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261701178 1014255137 /nfs/dbraw/zinc/25/51/37/1014255137.db2.gz JYRFUEWAYKSTEW-GUDVDZBRSA-N 1 3 309.457 3.635 20 0 DHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1nsc2ccccc12 ZINC000665275017 1014637639 /nfs/dbraw/zinc/63/76/39/1014637639.db2.gz ASDYTWGHGLYGOW-LSDHHAIUSA-N 1 3 317.502 3.739 20 0 DHADHO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000581269461 1014666333 /nfs/dbraw/zinc/66/63/33/1014666333.db2.gz PSWVOHXQOVIWLS-SWBPCFCJSA-N 1 3 316.464 3.767 20 0 DHADHO FC(F)(F)c1cccc([C@H]2CCC[C@@H]2[NH2+]CC23CC(C2)CN3)c1 ZINC000665280192 1014670542 /nfs/dbraw/zinc/67/05/42/1014670542.db2.gz VKEREEDPCQOCAR-HHBUMJEXSA-N 1 3 324.390 3.683 20 0 DHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665280747 1014669189 /nfs/dbraw/zinc/66/91/89/1014669189.db2.gz KBOYJZGNVCVCCM-IUODEOHRSA-N 1 3 318.490 3.538 20 0 DHADHO FC(F)(F)c1cccc([C@H]2CCC[C@H]2[NH2+]CC23CC(C2)CN3)c1 ZINC000665280194 1014669467 /nfs/dbraw/zinc/66/94/67/1014669467.db2.gz VKEREEDPCQOCAR-UNXMRWRESA-N 1 3 324.390 3.683 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCC(C2CCC2)CC1 ZINC000665284035 1014679177 /nfs/dbraw/zinc/67/91/77/1014679177.db2.gz ZHTYYDSALVGGPH-IGEOTXOUSA-N 1 3 301.478 3.858 20 0 DHADHO CO[C@H]1CCCC[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000442807408 1014733421 /nfs/dbraw/zinc/73/34/21/1014733421.db2.gz DWZHABNFNLEAPG-KANFNMMFSA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)[NH+](CCCN[C@@H]1Cc2[nH]c3ccccc3c2C1)C(C)C ZINC000442794306 1014735027 /nfs/dbraw/zinc/73/50/27/1014735027.db2.gz RUPDHAOMPCQQPR-INIZCTEOSA-N 1 3 313.489 3.734 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2cncc(C)c2)CC1)CC1CC1 ZINC000442896325 1014768820 /nfs/dbraw/zinc/76/88/20/1014768820.db2.gz LBCHJYFSOOCXBV-UHFFFAOYSA-N 1 3 315.505 3.724 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2cncc(C)c2)CC1)CC1CC1 ZINC000442896325 1014768829 /nfs/dbraw/zinc/76/88/29/1014768829.db2.gz LBCHJYFSOOCXBV-UHFFFAOYSA-N 1 3 315.505 3.724 20 0 DHADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000631057630 1014960962 /nfs/dbraw/zinc/96/09/62/1014960962.db2.gz YVIQUIJHORLNBW-MRXNPFEDSA-N 1 3 314.395 3.613 20 0 DHADHO CN1CCCC[C@H](C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000895392005 1015128181 /nfs/dbraw/zinc/12/81/81/1015128181.db2.gz JEYJMNRUIPABGA-GFCCVEGCSA-N 1 3 323.893 3.771 20 0 DHADHO CC(C)[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000474404906 1015331070 /nfs/dbraw/zinc/33/10/70/1015331070.db2.gz ZNPGLYGRIQFNCI-SLFFLAALSA-N 1 3 300.490 3.842 20 0 DHADHO CC(C)[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000474404906 1015331078 /nfs/dbraw/zinc/33/10/78/1015331078.db2.gz ZNPGLYGRIQFNCI-SLFFLAALSA-N 1 3 300.490 3.842 20 0 DHADHO CCc1nc(C)c(CN2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000428298769 1015422588 /nfs/dbraw/zinc/42/25/88/1015422588.db2.gz IWEYQZODHPZTOL-UHFFFAOYSA-N 1 3 319.493 3.633 20 0 DHADHO C[C@@H]1CC([N@H+](C)Cc2ccncc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168039315 1015495170 /nfs/dbraw/zinc/49/51/70/1015495170.db2.gz CXEWEUAXHCNOQR-QZTJIDSGSA-N 1 3 323.484 3.955 20 0 DHADHO C[C@@H]1CC([N@@H+](C)Cc2ccncc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168039315 1015495177 /nfs/dbraw/zinc/49/51/77/1015495177.db2.gz CXEWEUAXHCNOQR-QZTJIDSGSA-N 1 3 323.484 3.955 20 0 DHADHO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccncc2)C[C@H](C)N1Cc1ccccc1 ZINC001168039316 1015495936 /nfs/dbraw/zinc/49/59/36/1015495936.db2.gz CXEWEUAXHCNOQR-RMFSNUHRSA-N 1 3 323.484 3.955 20 0 DHADHO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccncc2)C[C@H](C)N1Cc1ccccc1 ZINC001168039316 1015495942 /nfs/dbraw/zinc/49/59/42/1015495942.db2.gz CXEWEUAXHCNOQR-RMFSNUHRSA-N 1 3 323.484 3.955 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1(Cl)CC1 ZINC000925136058 1015731422 /nfs/dbraw/zinc/73/14/22/1015731422.db2.gz MPFZAYAVZXHFSA-YDHLFZDLSA-N 1 3 312.910 3.881 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1(Cl)CC1 ZINC000925136058 1015731427 /nfs/dbraw/zinc/73/14/27/1015731427.db2.gz MPFZAYAVZXHFSA-YDHLFZDLSA-N 1 3 312.910 3.881 20 0 DHADHO NC1(C[NH2+]CCSc2cc(Cl)ccc2Cl)CCC1 ZINC000342140210 1016071624 /nfs/dbraw/zinc/07/16/24/1016071624.db2.gz TZYCLMPOIYJNJI-UHFFFAOYSA-N 1 3 305.274 3.557 20 0 DHADHO C[NH2+]CCC1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000346640327 1016493299 /nfs/dbraw/zinc/49/32/99/1016493299.db2.gz BBXQTNNFPCBZBD-UHFFFAOYSA-N 1 3 307.507 3.622 20 0 DHADHO Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCCO2 ZINC000152376943 1016575380 /nfs/dbraw/zinc/57/53/80/1016575380.db2.gz HCMBQCIZDYVTGR-CXAGYDPISA-N 1 3 320.864 3.628 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@H](CCCOC)c2ccc(F)cc2)C1 ZINC000281954434 1016835064 /nfs/dbraw/zinc/83/50/64/1016835064.db2.gz MHGFXGUNECBGKW-VQIMIIECSA-N 1 3 322.468 3.615 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@H](CCCOC)c2ccc(F)cc2)C1 ZINC000281954434 1016835068 /nfs/dbraw/zinc/83/50/68/1016835068.db2.gz MHGFXGUNECBGKW-VQIMIIECSA-N 1 3 322.468 3.615 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1(C)C ZINC000623345040 1016976446 /nfs/dbraw/zinc/97/64/46/1016976446.db2.gz OJACXOFCRBRDBG-ZDUSSCGKSA-N 1 3 316.367 3.548 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCCOc2c(C)cccc2C)C[C@@H]1C ZINC001167589889 1017041573 /nfs/dbraw/zinc/04/15/73/1017041573.db2.gz JPOZMWFXNWHTRT-OALUTQOASA-N 1 3 318.505 3.877 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCCOc2c(C)cccc2C)C[C@@H]1C ZINC001167589889 1017041581 /nfs/dbraw/zinc/04/15/81/1017041581.db2.gz JPOZMWFXNWHTRT-OALUTQOASA-N 1 3 318.505 3.877 20 0 DHADHO C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccc(Cl)cc1 ZINC000623435720 1017047000 /nfs/dbraw/zinc/04/70/00/1017047000.db2.gz PWQWPJMAPXILJN-ZFWWWQNUSA-N 1 3 310.869 3.570 20 0 DHADHO C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccc(Cl)cc1 ZINC000623435720 1017047007 /nfs/dbraw/zinc/04/70/07/1017047007.db2.gz PWQWPJMAPXILJN-ZFWWWQNUSA-N 1 3 310.869 3.570 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1C ZINC000623440827 1017048228 /nfs/dbraw/zinc/04/82/28/1017048228.db2.gz MODUMLIHXMVZDG-IAGOWNOFSA-N 1 3 304.478 3.615 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccccc1C ZINC000623440827 1017048236 /nfs/dbraw/zinc/04/82/36/1017048236.db2.gz MODUMLIHXMVZDG-IAGOWNOFSA-N 1 3 304.478 3.615 20 0 DHADHO CC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000361972483 1032178257 /nfs/dbraw/zinc/17/82/57/1032178257.db2.gz RBYIGNLRUPSVEW-BBWFWOEESA-N 1 3 320.477 3.617 20 0 DHADHO CC[NH+](CC)CCCN[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171283857 1032240229 /nfs/dbraw/zinc/24/02/29/1032240229.db2.gz JSOWEZUWTHWIEA-CQSZACIVSA-N 1 3 324.896 3.527 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171283857 1032240242 /nfs/dbraw/zinc/24/02/42/1032240242.db2.gz JSOWEZUWTHWIEA-CQSZACIVSA-N 1 3 324.896 3.527 20 0 DHADHO Cc1ccc(OC2CC[NH+](CC[C@@H]3CCCN3C)CC2)cc1C ZINC000089426250 1032340956 /nfs/dbraw/zinc/34/09/56/1032340956.db2.gz BVXGRNXUTUYTMM-SFHVURJKSA-N 1 3 316.489 3.631 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171336536 1032433744 /nfs/dbraw/zinc/43/37/44/1032433744.db2.gz HMTSRBNOPXLBLG-QGZVFWFLSA-N 1 3 322.443 3.534 20 0 DHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(C(F)F)CC2)CC1 ZINC000475214607 1017085858 /nfs/dbraw/zinc/08/58/58/1017085858.db2.gz JKLMFFTVDRKWOZ-ZFWWWQNUSA-N 1 3 300.437 3.664 20 0 DHADHO FC(F)C1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000475216897 1017086690 /nfs/dbraw/zinc/08/66/90/1017086690.db2.gz VABBEHPNMQXDNX-GVDBMIGSSA-N 1 3 320.427 3.532 20 0 DHADHO CN(Cc1cnc(C2CCCC2)s1)CC1CC[NH+](C)CC1 ZINC000093088791 1032523240 /nfs/dbraw/zinc/52/32/40/1032523240.db2.gz YILHXQTWQZQXBP-UHFFFAOYSA-N 1 3 307.507 3.574 20 0 DHADHO C(C1CCCCC1)N1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000773082485 1032550426 /nfs/dbraw/zinc/55/04/26/1032550426.db2.gz WJTUICQNSUAINC-LJQANCHMSA-N 1 3 320.521 3.722 20 0 DHADHO CC(C)c1ncc(CN2CCC(CCC[NH+](C)C)CC2)s1 ZINC000093688366 1032552176 /nfs/dbraw/zinc/55/21/76/1032552176.db2.gz GUALOJDMLSPXIW-UHFFFAOYSA-N 1 3 309.523 3.820 20 0 DHADHO CO[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000773081530 1032553232 /nfs/dbraw/zinc/55/32/32/1032553232.db2.gz CXSZTTHXWPSVQZ-MOPGFXCFSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171400054 1032586345 /nfs/dbraw/zinc/58/63/45/1032586345.db2.gz CBRTXEZZPPJSHX-WBVHZDCISA-N 1 3 304.453 3.537 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171400052 1032587145 /nfs/dbraw/zinc/58/71/45/1032587145.db2.gz CBRTXEZZPPJSHX-NVXWUHKLSA-N 1 3 304.453 3.537 20 0 DHADHO CC[C@H]1CN(CCCOc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647936402 1012026851 /nfs/dbraw/zinc/02/68/51/1012026851.db2.gz DBGDEUZCAFFWEI-QFBILLFUSA-N 1 3 312.457 3.668 20 0 DHADHO Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546518 1012090789 /nfs/dbraw/zinc/09/07/89/1012090789.db2.gz PWIUQUVNIQKSTG-MAUKXSAKSA-N 1 3 324.472 3.506 20 0 DHADHO COc1ccc([C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C(C)C)cc1 ZINC000643548621 1012120601 /nfs/dbraw/zinc/12/06/01/1012120601.db2.gz RZQCERGFLWXEFD-SJLPKXTDSA-N 1 3 302.462 3.657 20 0 DHADHO NC1(c2ccccc2)CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171413394 1032617924 /nfs/dbraw/zinc/61/79/24/1032617924.db2.gz FGRIZNDWPCRIGC-GOSISDBHSA-N 1 3 324.443 3.633 20 0 DHADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](C)CN(C)C)cc1F ZINC000425954679 1013010043 /nfs/dbraw/zinc/01/00/43/1013010043.db2.gz WOSYGIVPTCOKQH-HFTRVMKXSA-N 1 3 322.468 3.648 20 0 DHADHO CN1CCCC[C@H](C[NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000623657139 1017154756 /nfs/dbraw/zinc/15/47/56/1017154756.db2.gz KKKBCLMXFQCNKY-GOSISDBHSA-N 1 3 309.457 3.570 20 0 DHADHO CC[C@@H]1COCC[N@@H+]1C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168063273 1017192830 /nfs/dbraw/zinc/19/28/30/1017192830.db2.gz MOUAUPFXSBCAGT-JENIJYKNSA-N 1 3 316.489 3.539 20 0 DHADHO CC[C@@H]1COCC[N@H+]1C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168063273 1017192831 /nfs/dbraw/zinc/19/28/31/1017192831.db2.gz MOUAUPFXSBCAGT-JENIJYKNSA-N 1 3 316.489 3.539 20 0 DHADHO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716685981 1032702723 /nfs/dbraw/zinc/70/27/23/1032702723.db2.gz YSIQMEAUYNBDOL-GBBGEASQSA-N 1 3 316.514 3.523 20 0 DHADHO Cc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1C ZINC000657611632 1017569453 /nfs/dbraw/zinc/56/94/53/1017569453.db2.gz AHOOQJRZVZVMNK-UHFFFAOYSA-N 1 3 323.484 3.700 20 0 DHADHO CC[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613142 1017574786 /nfs/dbraw/zinc/57/47/86/1017574786.db2.gz WRMMIOKKXIIOCZ-FXAWDEMLSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613849 1017583661 /nfs/dbraw/zinc/58/36/61/1017583661.db2.gz TYVYUHNXFNOKTN-YLJYHZDGSA-N 1 3 315.505 3.710 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454596 1032714659 /nfs/dbraw/zinc/71/46/59/1032714659.db2.gz VJIJJSIUHTXPCM-RHSMWYFYSA-N 1 3 322.443 3.676 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(Br)s1 ZINC000444782722 1017661880 /nfs/dbraw/zinc/66/18/80/1017661880.db2.gz KKCCPHYMOQXRKW-WDEREUQCSA-N 1 3 317.296 3.646 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(OC(F)F)cc1 ZINC000624120455 1017691387 /nfs/dbraw/zinc/69/13/87/1017691387.db2.gz ZNCHVWLLTTYABJ-KBPBESRZSA-N 1 3 312.404 3.671 20 0 DHADHO C[N@@H+]1CCCC[C@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124213 1017698904 /nfs/dbraw/zinc/69/89/04/1017698904.db2.gz ZXNAPRGNLLIMCJ-DNVCBOLYSA-N 1 3 311.473 3.867 20 0 DHADHO C[N@H+]1CCCC[C@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124213 1017698917 /nfs/dbraw/zinc/69/89/17/1017698917.db2.gz ZXNAPRGNLLIMCJ-DNVCBOLYSA-N 1 3 311.473 3.867 20 0 DHADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124213 1017698922 /nfs/dbraw/zinc/69/89/22/1017698922.db2.gz ZXNAPRGNLLIMCJ-DNVCBOLYSA-N 1 3 311.473 3.867 20 0 DHADHO C[N@@H+]1CCCC[C@@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124214 1017699279 /nfs/dbraw/zinc/69/92/79/1017699279.db2.gz ZXNAPRGNLLIMCJ-HNAYVOBHSA-N 1 3 311.473 3.867 20 0 DHADHO C[N@H+]1CCCC[C@@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124214 1017699288 /nfs/dbraw/zinc/69/92/88/1017699288.db2.gz ZXNAPRGNLLIMCJ-HNAYVOBHSA-N 1 3 311.473 3.867 20 0 DHADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124214 1017699292 /nfs/dbraw/zinc/69/92/92/1017699292.db2.gz ZXNAPRGNLLIMCJ-HNAYVOBHSA-N 1 3 311.473 3.867 20 0 DHADHO Fc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c(Cl)c1 ZINC000090956482 1017834630 /nfs/dbraw/zinc/83/46/30/1017834630.db2.gz SEFOEBTVBUMFQR-LSDHHAIUSA-N 1 3 322.855 3.727 20 0 DHADHO Fc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c(Cl)c1 ZINC000090956482 1017834652 /nfs/dbraw/zinc/83/46/52/1017834652.db2.gz SEFOEBTVBUMFQR-LSDHHAIUSA-N 1 3 322.855 3.727 20 0 DHADHO Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000152469720 1032758815 /nfs/dbraw/zinc/75/88/15/1032758815.db2.gz FAOQZRNFPDXHKG-LRDDRELGSA-N 1 3 322.905 3.951 20 0 DHADHO C[C@@H](CCN1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000447730875 1018460792 /nfs/dbraw/zinc/46/07/92/1018460792.db2.gz LQLQDIBUOBNLOQ-HKUYNNGSSA-N 1 3 300.490 3.844 20 0 DHADHO C[C@@H](CCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000447730875 1018460798 /nfs/dbraw/zinc/46/07/98/1018460798.db2.gz LQLQDIBUOBNLOQ-HKUYNNGSSA-N 1 3 300.490 3.844 20 0 DHADHO CC[C@H](OCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000650710529 1018533105 /nfs/dbraw/zinc/53/31/05/1018533105.db2.gz QSNIHGKPJAGYNA-ZRNYENFQSA-N 1 3 316.489 3.665 20 0 DHADHO C[NH2+]Cc1ccccc1CNCc1ccc(OC(F)(F)F)cc1 ZINC000650718353 1018563281 /nfs/dbraw/zinc/56/32/81/1018563281.db2.gz IEAPDJJLBIYIPZ-UHFFFAOYSA-N 1 3 324.346 3.594 20 0 DHADHO C1C[C@H]2CC([NH2+]C3CCN(C4CCCCC4)CC3)C[C@@H]1S2 ZINC000925207983 1018565127 /nfs/dbraw/zinc/56/51/27/1018565127.db2.gz RMWUQOVTLTUMLO-ZNXRZULTSA-N 1 3 308.535 3.800 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000675897594 1018619459 /nfs/dbraw/zinc/61/94/59/1018619459.db2.gz GRJKWRMDNORXBH-YJBOKZPZSA-N 1 3 322.880 3.525 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000675897594 1018619463 /nfs/dbraw/zinc/61/94/63/1018619463.db2.gz GRJKWRMDNORXBH-YJBOKZPZSA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000675897594 1018619473 /nfs/dbraw/zinc/61/94/73/1018619473.db2.gz GRJKWRMDNORXBH-YJBOKZPZSA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)CC[C@@H]21 ZINC000675897594 1018619477 /nfs/dbraw/zinc/61/94/77/1018619477.db2.gz GRJKWRMDNORXBH-YJBOKZPZSA-N 1 3 322.880 3.525 20 0 DHADHO CCC[C@@H](NC[C@H]1CC[N@H+](CCC)C1)c1ccc(OC)cc1 ZINC000151100786 1018627422 /nfs/dbraw/zinc/62/74/22/1018627422.db2.gz JEOYTVJKLXKBRN-VQIMIIECSA-N 1 3 304.478 3.858 20 0 DHADHO CCC[C@@H](NC[C@H]1CC[N@@H+](CCC)C1)c1ccc(OC)cc1 ZINC000151100786 1018627431 /nfs/dbraw/zinc/62/74/31/1018627431.db2.gz JEOYTVJKLXKBRN-VQIMIIECSA-N 1 3 304.478 3.858 20 0 DHADHO C[C@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccncc1 ZINC000675927519 1018628097 /nfs/dbraw/zinc/62/80/97/1018628097.db2.gz HOJTWMULWZBJHL-HLIPFELVSA-N 1 3 315.505 3.818 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC000566777951 1018760100 /nfs/dbraw/zinc/76/01/00/1018760100.db2.gz LHNNYHMMRLBOFK-JKSUJKDBSA-N 1 3 300.446 3.684 20 0 DHADHO FC1(F)CCCN(C/C=C/C[N@@H+]2CCCC(F)(F)CC2)CC1 ZINC000625770681 1018912047 /nfs/dbraw/zinc/91/20/47/1018912047.db2.gz OGTLDWMFMAWSRI-OWOJBTEDSA-N 1 3 322.390 3.785 20 0 DHADHO FC1(F)CCCN(C/C=C/C[N@H+]2CCCC(F)(F)CC2)CC1 ZINC000625770681 1018912057 /nfs/dbraw/zinc/91/20/57/1018912057.db2.gz OGTLDWMFMAWSRI-OWOJBTEDSA-N 1 3 322.390 3.785 20 0 DHADHO C[C@@H](N)c1nc2ccccc2n1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171613437 1032798891 /nfs/dbraw/zinc/79/88/91/1032798891.db2.gz JQKYNWQDSKYQGT-CYBMUJFWSA-N 1 3 314.477 3.880 20 0 DHADHO C[C@H](C[NH2+]C1CC(C)(C)N(C)C(C)(C)C1)c1ccc(O)cc1 ZINC001171623432 1032808065 /nfs/dbraw/zinc/80/80/65/1032808065.db2.gz YJLXQFAQTFGSCL-CQSZACIVSA-N 1 3 304.478 3.737 20 0 DHADHO C[NH+]1C(C)(C)CC(NCCc2cc(F)cc(F)c2)CC1(C)C ZINC001171625302 1032808116 /nfs/dbraw/zinc/80/81/16/1032808116.db2.gz GPQILVCPOAJYLU-UHFFFAOYSA-N 1 3 310.432 3.748 20 0 DHADHO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000921981810 1019256560 /nfs/dbraw/zinc/25/65/60/1019256560.db2.gz XKSHJTIVEMXXSG-UIBIWLFHSA-N 1 3 310.551 3.903 20 0 DHADHO O[C@@H]1CCCC[C@@H]1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090545492 1019408556 /nfs/dbraw/zinc/40/85/56/1019408556.db2.gz BJIFTCMWNIDJMQ-YLJYHZDGSA-N 1 3 322.537 3.704 20 0 DHADHO O[C@H]1CCCC[C@H]1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090545482 1019408978 /nfs/dbraw/zinc/40/89/78/1019408978.db2.gz BJIFTCMWNIDJMQ-PXNSSMCTSA-N 1 3 322.537 3.704 20 0 DHADHO CN1C(C)(C)CC([NH+]2CCC(c3ccncc3)CC2)CC1(C)C ZINC001171638195 1032832890 /nfs/dbraw/zinc/83/28/90/1032832890.db2.gz WFUWRTTXARHNPF-UHFFFAOYSA-N 1 3 315.505 3.912 20 0 DHADHO COCCC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(F)cc1 ZINC000282218199 1019679237 /nfs/dbraw/zinc/67/92/37/1019679237.db2.gz HUMJILOOSCFWMW-QRVBRYPASA-N 1 3 322.468 3.756 20 0 DHADHO COc1cccc(C[C@H](NCCC[NH+](C)C)c2ccccc2)c1 ZINC000151919777 1019731518 /nfs/dbraw/zinc/73/15/18/1019731518.db2.gz FBUKDVSLLXGZBY-FQEVSTJZSA-N 1 3 312.457 3.520 20 0 DHADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCCN(C)C)cc1 ZINC000151921895 1019750288 /nfs/dbraw/zinc/75/02/88/1019750288.db2.gz SKIHRNANXYPCMR-MRXNPFEDSA-N 1 3 312.457 3.965 20 0 DHADHO CCCCOc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166199781 1019789042 /nfs/dbraw/zinc/78/90/42/1019789042.db2.gz YMYQQJFEKCIXBR-RBUKOAKNSA-N 1 3 316.489 3.624 20 0 DHADHO CCCCOc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166199781 1019789057 /nfs/dbraw/zinc/78/90/57/1019789057.db2.gz YMYQQJFEKCIXBR-RBUKOAKNSA-N 1 3 316.489 3.624 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000685470255 1019845778 /nfs/dbraw/zinc/84/57/78/1019845778.db2.gz BQLDAYMONDJIBV-XJKSGUPXSA-N 1 3 314.395 3.786 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000685470255 1019845795 /nfs/dbraw/zinc/84/57/95/1019845795.db2.gz BQLDAYMONDJIBV-XJKSGUPXSA-N 1 3 314.395 3.786 20 0 DHADHO CC1CC[NH+](C2CCC(NCc3cnc(C4CC4)o3)CC2)CC1 ZINC000628230139 1019938635 /nfs/dbraw/zinc/93/86/35/1019938635.db2.gz UMJQYEZEHIFYCA-UHFFFAOYSA-N 1 3 317.477 3.685 20 0 DHADHO CCOC1CCC([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000657969683 1020046424 /nfs/dbraw/zinc/04/64/24/1020046424.db2.gz SZQWQIHZSOILDM-INECWFNRSA-N 1 3 308.510 3.577 20 0 DHADHO CCOC1CCC([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000657969681 1020047677 /nfs/dbraw/zinc/04/76/77/1020047677.db2.gz SZQWQIHZSOILDM-HNXFYBAISA-N 1 3 308.510 3.577 20 0 DHADHO Cc1ccncc1CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000658127794 1020175780 /nfs/dbraw/zinc/17/57/80/1020175780.db2.gz WVXIXEBCOPVBOX-FXAWDEMLSA-N 1 3 315.505 3.565 20 0 DHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCOC(C)(C)C)CC1 ZINC000658184016 1020215546 /nfs/dbraw/zinc/21/55/46/1020215546.db2.gz HAIUSXVXPPTFIZ-WMZOPIPTSA-N 1 3 310.526 3.824 20 0 DHADHO CCSc1ccccc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922709196 1020225722 /nfs/dbraw/zinc/22/57/22/1020225722.db2.gz KKLOHALJESVLGQ-IRXDYDNUSA-N 1 3 304.503 3.558 20 0 DHADHO CCSc1ccccc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922709196 1020225727 /nfs/dbraw/zinc/22/57/27/1020225727.db2.gz KKLOHALJESVLGQ-IRXDYDNUSA-N 1 3 304.503 3.558 20 0 DHADHO Fc1cccc2c1C[C@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001171801257 1032890749 /nfs/dbraw/zinc/89/07/49/1032890749.db2.gz KLVOOMVIVOEGDC-QZTJIDSGSA-N 1 3 316.464 3.633 20 0 DHADHO Fc1cccc2c1C[C@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001171801257 1032890767 /nfs/dbraw/zinc/89/07/67/1032890767.db2.gz KLVOOMVIVOEGDC-QZTJIDSGSA-N 1 3 316.464 3.633 20 0 DHADHO Cc1nc([C@@H](C)NCC2CC[NH+](CC3CC3)CC2)c(C)s1 ZINC000658357609 1020322480 /nfs/dbraw/zinc/32/24/80/1020322480.db2.gz URPHHIVTSSJJSI-GFCCVEGCSA-N 1 3 307.507 3.533 20 0 DHADHO COc1ccc2cc(C[NH2+]C[C@@H]3CCCCN(C)C3)ccc2c1 ZINC000623654749 1020336865 /nfs/dbraw/zinc/33/68/65/1020336865.db2.gz IAEIBBLNOUDVFE-KRWDZBQOSA-N 1 3 312.457 3.670 20 0 DHADHO CC[N@@H+]1CC[C@H](NCc2cn(C(F)F)c3ccccc23)[C@@H](C)C1 ZINC000858535526 1032934086 /nfs/dbraw/zinc/93/40/86/1032934086.db2.gz BIMOGPOWTTZHIJ-BBRMVZONSA-N 1 3 321.415 3.856 20 0 DHADHO CC[N@H+]1CC[C@H](NCc2cn(C(F)F)c3ccccc23)[C@@H](C)C1 ZINC000858535526 1032934096 /nfs/dbraw/zinc/93/40/96/1032934096.db2.gz BIMOGPOWTTZHIJ-BBRMVZONSA-N 1 3 321.415 3.856 20 0 DHADHO C[C@@H](NCC1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414123670 1020916066 /nfs/dbraw/zinc/91/60/66/1020916066.db2.gz OUTGSFRDNPOJSZ-CQSZACIVSA-N 1 3 315.486 3.803 20 0 DHADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CS1 ZINC000668817874 1020957253 /nfs/dbraw/zinc/95/72/53/1020957253.db2.gz BKDZOJYKXXZPIC-BBWFWOEESA-N 1 3 310.551 3.618 20 0 DHADHO CO[C@@](C)([C@H](C)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C1CC1 ZINC000414227997 1021016967 /nfs/dbraw/zinc/01/69/67/1021016967.db2.gz DCACWHBZYMMCNZ-FEHORTKBSA-N 1 3 322.537 3.823 20 0 DHADHO CO[C@@](C)([C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)C1CC1 ZINC000414227997 1021016970 /nfs/dbraw/zinc/01/69/70/1021016970.db2.gz DCACWHBZYMMCNZ-FEHORTKBSA-N 1 3 322.537 3.823 20 0 DHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)OCC2CC2)CC1 ZINC000414250443 1021032327 /nfs/dbraw/zinc/03/23/27/1021032327.db2.gz BDEJNIHHIPGXEK-QFBILLFUSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)CC(F)(F)F ZINC000414280953 1021055247 /nfs/dbraw/zinc/05/52/47/1021055247.db2.gz LXVCKWNJZVEESL-ZDUSSCGKSA-N 1 3 306.416 3.962 20 0 DHADHO CN([C@@H]1CCCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989796 1032951788 /nfs/dbraw/zinc/95/17/88/1032951788.db2.gz GMGURTNMYMZSPP-RBUKOAKNSA-N 1 3 316.489 3.540 20 0 DHADHO CN([C@@H]1CCCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989796 1032951800 /nfs/dbraw/zinc/95/18/00/1032951800.db2.gz GMGURTNMYMZSPP-RBUKOAKNSA-N 1 3 316.489 3.540 20 0 DHADHO COC1([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000414308502 1021079624 /nfs/dbraw/zinc/07/96/24/1021079624.db2.gz QLZGCADGRSZERL-SOLBZPMBSA-N 1 3 308.510 3.577 20 0 DHADHO COC1([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000414308502 1021079630 /nfs/dbraw/zinc/07/96/30/1021079630.db2.gz QLZGCADGRSZERL-SOLBZPMBSA-N 1 3 308.510 3.577 20 0 DHADHO COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000414338922 1021106815 /nfs/dbraw/zinc/10/68/15/1021106815.db2.gz LARXQSDPOMGZFV-LPHOPBHVSA-N 1 3 316.489 3.651 20 0 DHADHO C[C@@H](N[C@@H]1C[C@H]1c1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414341596 1021110816 /nfs/dbraw/zinc/11/08/16/1021110816.db2.gz IAXFCVORCCIREE-NXWXRZEISA-N 1 3 310.441 3.636 20 0 DHADHO C[C@@H](N[C@@H]1C[C@H]1c1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414341596 1021110820 /nfs/dbraw/zinc/11/08/20/1021110820.db2.gz IAXFCVORCCIREE-NXWXRZEISA-N 1 3 310.441 3.636 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(SCC(F)F)cc1 ZINC000423388208 1021194368 /nfs/dbraw/zinc/19/43/68/1021194368.db2.gz NHKHLUZRHKUXAL-FPMFFAJLSA-N 1 3 314.445 3.964 20 0 DHADHO CCOc1ccc([C@H](CC)N[C@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000423383057 1021194628 /nfs/dbraw/zinc/19/46/28/1021194628.db2.gz KIGMSSYKNRUVRL-IKGGRYGDSA-N 1 3 320.477 3.795 20 0 DHADHO c1ccc(CSCCCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000090550252 1021233731 /nfs/dbraw/zinc/23/37/31/1021233731.db2.gz LIGWASKHKVHXJS-IBGZPJMESA-N 1 3 318.530 3.728 20 0 DHADHO CC[C@@H]1COCC[N@@H+]1[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984035 1032964756 /nfs/dbraw/zinc/96/47/56/1032964756.db2.gz BWGVMYWZESCMLT-MOPGFXCFSA-N 1 3 316.489 3.540 20 0 DHADHO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C2CC2)cc1 ZINC000091367782 1021279135 /nfs/dbraw/zinc/27/91/35/1021279135.db2.gz NAPKGBZFALKERV-ZHALLVOQSA-N 1 3 302.462 3.609 20 0 DHADHO CC[C@@H]1COCC[N@H+]1[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984035 1032964767 /nfs/dbraw/zinc/96/47/67/1032964767.db2.gz BWGVMYWZESCMLT-MOPGFXCFSA-N 1 3 316.489 3.540 20 0 DHADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000129406310 1021481307 /nfs/dbraw/zinc/48/13/07/1021481307.db2.gz MKCJKJHEBRNQAY-UHFFFAOYSA-N 1 3 306.347 3.522 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3cccc(Cl)c3C1)C2 ZINC001172128332 1032993900 /nfs/dbraw/zinc/99/39/00/1032993900.db2.gz REHOJSVJXMFTKE-MUJYYYPQSA-N 1 3 304.865 3.713 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3cccc(Cl)c3C1)C2 ZINC001172128332 1032993909 /nfs/dbraw/zinc/99/39/09/1032993909.db2.gz REHOJSVJXMFTKE-MUJYYYPQSA-N 1 3 304.865 3.713 20 0 DHADHO C[C@@H](N)c1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068378 1032992644 /nfs/dbraw/zinc/99/26/44/1032992644.db2.gz QKJVITOYPRMJDH-OQIJWPOYSA-N 1 3 324.472 3.661 20 0 DHADHO C[C@@H](N)c1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068378 1032992659 /nfs/dbraw/zinc/99/26/59/1032992659.db2.gz QKJVITOYPRMJDH-OQIJWPOYSA-N 1 3 324.472 3.661 20 0 DHADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC2CCC1(CN)CC2 ZINC000565222946 1021804572 /nfs/dbraw/zinc/80/45/72/1021804572.db2.gz STEMTIPEMMQUTD-POZPTJLLSA-N 1 3 310.388 3.552 20 0 DHADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC2CCC1(CN)CC2 ZINC000565222946 1021804585 /nfs/dbraw/zinc/80/45/85/1021804585.db2.gz STEMTIPEMMQUTD-POZPTJLLSA-N 1 3 310.388 3.552 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001172110840 1033010782 /nfs/dbraw/zinc/01/07/82/1033010782.db2.gz PXMGCRHGMPHIQX-DFGXFYAUSA-N 1 3 319.880 3.791 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3ccc(Cl)cc3C1)C2 ZINC001172114712 1033015732 /nfs/dbraw/zinc/01/57/32/1033015732.db2.gz SLNIFVKXUFFVSN-BCDXTJNWSA-N 1 3 304.865 3.713 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3ccc(Cl)cc3C1)C2 ZINC001172114712 1033015741 /nfs/dbraw/zinc/01/57/41/1033015741.db2.gz SLNIFVKXUFFVSN-BCDXTJNWSA-N 1 3 304.865 3.713 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@]3(O)CCCC3(C)C)CC2)C1 ZINC000556934505 1021955727 /nfs/dbraw/zinc/95/57/27/1021955727.db2.gz WFFVOPVIRJMDQK-YVWKXTFCSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@]3(O)CCCC3(C)C)CC2)C1 ZINC000556934505 1021955737 /nfs/dbraw/zinc/95/57/37/1021955737.db2.gz WFFVOPVIRJMDQK-YVWKXTFCSA-N 1 3 322.537 3.560 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(c3ccc(F)cc3)CCC1)C2 ZINC001172114345 1033018211 /nfs/dbraw/zinc/01/82/11/1033018211.db2.gz NTNQJRBGOYWUOK-NNZMDNLPSA-N 1 3 302.437 3.810 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(c3ccc(F)cc3)CCC1)C2 ZINC001172114345 1033018226 /nfs/dbraw/zinc/01/82/26/1033018226.db2.gz NTNQJRBGOYWUOK-NNZMDNLPSA-N 1 3 302.437 3.810 20 0 DHADHO CCCCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(C)C ZINC000766450668 1022120755 /nfs/dbraw/zinc/12/07/55/1022120755.db2.gz CDFSXYKRRLLJEO-RBUKOAKNSA-N 1 3 322.537 3.967 20 0 DHADHO CCc1onc(C)c1CNC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000893188280 1022193921 /nfs/dbraw/zinc/19/39/21/1022193921.db2.gz CWZJBTMCNHJENP-UHFFFAOYSA-N 1 3 319.493 3.678 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1F)C1CCC1)C2 ZINC001169100535 1022248165 /nfs/dbraw/zinc/24/81/65/1022248165.db2.gz KRLZHAYKDWVJJC-RCJHGTSTSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](c1cccc(F)c1)C1CCC1)C2 ZINC001169101306 1022248571 /nfs/dbraw/zinc/24/85/71/1022248571.db2.gz RAIKZWQIFGYREG-FCGDIQPGSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](c1cccc(F)c1)C1CCC1)C2 ZINC001169101306 1022248587 /nfs/dbraw/zinc/24/85/87/1022248587.db2.gz RAIKZWQIFGYREG-FCGDIQPGSA-N 1 3 302.437 3.882 20 0 DHADHO FC(F)(F)C1CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925535563 1022258175 /nfs/dbraw/zinc/25/81/75/1022258175.db2.gz HKMXHWLDTZUTHT-FJBKBRRZSA-N 1 3 318.427 3.865 20 0 DHADHO C[C@H]([NH3+])[C@H](NC1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000925535722 1022261117 /nfs/dbraw/zinc/26/11/17/1022261117.db2.gz JVUOISSIUNTPIL-LLGZUXRYSA-N 1 3 300.368 3.786 20 0 DHADHO COc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC001169108810 1022266959 /nfs/dbraw/zinc/26/69/59/1022266959.db2.gz CJROPVGGTWSCOQ-BJWYYQGGSA-N 1 3 310.441 3.563 20 0 DHADHO COc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001169108810 1022266970 /nfs/dbraw/zinc/26/69/70/1022266970.db2.gz CJROPVGGTWSCOQ-BJWYYQGGSA-N 1 3 310.441 3.563 20 0 DHADHO c1cc2ccc(CNC[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000310077762 1022360535 /nfs/dbraw/zinc/36/05/35/1022360535.db2.gz HFZLBTIQBBMGOU-LJQANCHMSA-N 1 3 319.452 3.780 20 0 DHADHO c1cc2ccc(CNC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000310077762 1022360548 /nfs/dbraw/zinc/36/05/48/1022360548.db2.gz HFZLBTIQBBMGOU-LJQANCHMSA-N 1 3 319.452 3.780 20 0 DHADHO CO[C@]1(C)C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000155129023 1022370459 /nfs/dbraw/zinc/37/04/59/1022370459.db2.gz RIDAVCMDSDGMKK-PKOBYXMFSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157052445 1022516068 /nfs/dbraw/zinc/51/60/68/1022516068.db2.gz ULNWCKGPBVOBHH-CVEARBPZSA-N 1 3 304.478 3.856 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157052445 1022516074 /nfs/dbraw/zinc/51/60/74/1022516074.db2.gz ULNWCKGPBVOBHH-CVEARBPZSA-N 1 3 304.478 3.856 20 0 DHADHO Cc1ccc2cc(CNC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)ccc2n1 ZINC000275608996 1022602307 /nfs/dbraw/zinc/60/23/07/1022602307.db2.gz MPDPKJSHEZFCJD-YQQQUEKLSA-N 1 3 309.457 3.648 20 0 DHADHO Cc1ccc2cc(CNC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccc2n1 ZINC000275608996 1022602315 /nfs/dbraw/zinc/60/23/15/1022602315.db2.gz MPDPKJSHEZFCJD-YQQQUEKLSA-N 1 3 309.457 3.648 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000158482609 1022632829 /nfs/dbraw/zinc/63/28/29/1022632829.db2.gz AQFJWBQOVNXQMW-YJBOKZPZSA-N 1 3 322.880 3.525 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000158482609 1022632833 /nfs/dbraw/zinc/63/28/33/1022632833.db2.gz AQFJWBQOVNXQMW-YJBOKZPZSA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000158482609 1022632835 /nfs/dbraw/zinc/63/28/35/1022632835.db2.gz AQFJWBQOVNXQMW-YJBOKZPZSA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CCCOc3cccc(Cl)c3)CC[C@@H]21 ZINC000158482609 1022632838 /nfs/dbraw/zinc/63/28/38/1022632838.db2.gz AQFJWBQOVNXQMW-YJBOKZPZSA-N 1 3 322.880 3.525 20 0 DHADHO COCCC[NH+]1CCC(N[C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000159225153 1022871938 /nfs/dbraw/zinc/87/19/38/1022871938.db2.gz AWOHJNYHOFXUFT-GOSISDBHSA-N 1 3 318.505 3.763 20 0 DHADHO CC[C@H](NC[C@@H](C)C[NH+]1CCCC1)c1ccc2c(c1)CCCO2 ZINC000768095058 1022882608 /nfs/dbraw/zinc/88/26/08/1022882608.db2.gz ZPTJTDXCRGHFEB-APWZRJJASA-N 1 3 316.489 3.784 20 0 DHADHO CC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc2c(c1)CCCO2 ZINC000768108864 1022889194 /nfs/dbraw/zinc/88/91/94/1022889194.db2.gz RWHRVDDMOWCUSO-OTWHNJEPSA-N 1 3 316.489 3.925 20 0 DHADHO CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)CCCO2 ZINC000768108863 1022889327 /nfs/dbraw/zinc/88/93/27/1022889327.db2.gz RWHRVDDMOWCUSO-FHWLQOOXSA-N 1 3 316.489 3.925 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000163313683 1022908989 /nfs/dbraw/zinc/90/89/89/1022908989.db2.gz FOEZZVBTIWXZTK-XHDPSFHLSA-N 1 3 313.272 3.912 20 0 DHADHO c1ccc(OCCCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000164058965 1022936118 /nfs/dbraw/zinc/93/61/18/1022936118.db2.gz ZOFKXIIQKNDXRF-UHFFFAOYSA-N 1 3 316.489 3.842 20 0 DHADHO c1ccc(OCCC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000164058965 1022936132 /nfs/dbraw/zinc/93/61/32/1022936132.db2.gz ZOFKXIIQKNDXRF-UHFFFAOYSA-N 1 3 316.489 3.842 20 0 DHADHO COc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC000294718599 1022986351 /nfs/dbraw/zinc/98/63/51/1022986351.db2.gz CJROPVGGTWSCOQ-ALOPSCKCSA-N 1 3 310.441 3.563 20 0 DHADHO COc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC000294718599 1022986366 /nfs/dbraw/zinc/98/63/66/1022986366.db2.gz CJROPVGGTWSCOQ-ALOPSCKCSA-N 1 3 310.441 3.563 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000743759562 1023025033 /nfs/dbraw/zinc/02/50/33/1023025033.db2.gz PGJWYDPJLCBWNS-UHFFFAOYSA-N 1 3 315.505 3.641 20 0 DHADHO CN(Cc1ccc(CF)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213539 1033101181 /nfs/dbraw/zinc/10/11/81/1033101181.db2.gz WTEPGYAXEVRXBF-UHFFFAOYSA-N 1 3 300.421 3.850 20 0 DHADHO CCCCCC[C@H](CCC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001172379481 1033114310 /nfs/dbraw/zinc/11/43/10/1033114310.db2.gz UJBMZTVCTAUITL-IBGZPJMESA-N 1 3 311.558 3.741 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NCCCCC[NH+]1CCCCC1 ZINC000769869441 1023225656 /nfs/dbraw/zinc/22/56/56/1023225656.db2.gz ACADVCMIUFMTAZ-OAHLLOKOSA-N 1 3 307.482 3.852 20 0 DHADHO c1cncc([C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CCCCC2)c1 ZINC000652138561 1023356107 /nfs/dbraw/zinc/35/61/07/1023356107.db2.gz IHXXDEWNNHUSSB-JXFKEZNVSA-N 1 3 313.489 3.777 20 0 DHADHO c1cncc([C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CCCCC2)c1 ZINC000652138561 1023356115 /nfs/dbraw/zinc/35/61/15/1023356115.db2.gz IHXXDEWNNHUSSB-JXFKEZNVSA-N 1 3 313.489 3.777 20 0 DHADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCc1ccc(Cl)cc1)C2 ZINC000660658101 1023364352 /nfs/dbraw/zinc/36/43/52/1023364352.db2.gz BWYXZUYZJDFPFH-GOSISDBHSA-N 1 3 306.881 3.690 20 0 DHADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCc1ccc(Cl)cc1)C2 ZINC000660658101 1023364358 /nfs/dbraw/zinc/36/43/58/1023364358.db2.gz BWYXZUYZJDFPFH-GOSISDBHSA-N 1 3 306.881 3.690 20 0 DHADHO CC(C)CCC[C@@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001170070060 1023765102 /nfs/dbraw/zinc/76/51/02/1023765102.db2.gz BNOGUWFVDAKVSV-QGZVFWFLSA-N 1 3 310.526 3.682 20 0 DHADHO C[C@H]1CCC[N@H+](CCCCN[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788529085 1023906270 /nfs/dbraw/zinc/90/62/70/1023906270.db2.gz QQILSDQXQZMIIQ-HOCLYGCPSA-N 1 3 321.896 3.824 20 0 DHADHO C[C@H]1CCC[N@@H+](CCCCN[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788529085 1023906276 /nfs/dbraw/zinc/90/62/76/1023906276.db2.gz QQILSDQXQZMIIQ-HOCLYGCPSA-N 1 3 321.896 3.824 20 0 DHADHO CN(CC1=CCSC1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662266546 1024044127 /nfs/dbraw/zinc/04/41/27/1024044127.db2.gz IINTVUDHTXWHGB-UHFFFAOYSA-N 1 3 316.514 3.778 20 0 DHADHO C[C@H](c1ccccc1Br)N1CCC(CC[NH3+])CC1 ZINC000070183655 1024284664 /nfs/dbraw/zinc/28/46/64/1024284664.db2.gz KTLWLBBEACQXNR-GFCCVEGCSA-N 1 3 311.267 3.571 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000453088617 1024322838 /nfs/dbraw/zinc/32/28/38/1024322838.db2.gz RJSWJCKVSNIPDM-ZOBUZTSGSA-N 1 3 310.507 3.678 20 0 DHADHO CC1CCC(O)(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000663463534 1024396367 /nfs/dbraw/zinc/39/63/67/1024396367.db2.gz DMJWEOSKSLACRJ-NSPNGIHDSA-N 1 3 322.537 3.560 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000270504692 1024398162 /nfs/dbraw/zinc/39/81/62/1024398162.db2.gz OEQJJLVRNJBTTK-WDEREUQCSA-N 1 3 316.276 3.568 20 0 DHADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467972 1024405620 /nfs/dbraw/zinc/40/56/20/1024405620.db2.gz JCJVDOYKZJKWQB-LNLFQRSKSA-N 1 3 300.490 3.890 20 0 DHADHO Cc1ccoc1C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000531864344 1024408747 /nfs/dbraw/zinc/40/87/47/1024408747.db2.gz XHHUKCOQIKUVRP-IAGOWNOFSA-N 1 3 312.457 3.834 20 0 DHADHO C[C@@H]1[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C[C@@H]1c1ccccc1 ZINC000663472173 1024426897 /nfs/dbraw/zinc/42/68/97/1024426897.db2.gz ZFUIZPHYQUIAQP-BVPXEZJJSA-N 1 3 312.501 3.890 20 0 DHADHO CC(C)COCC[C@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001172467276 1033217976 /nfs/dbraw/zinc/21/79/76/1033217976.db2.gz LOXBWOBCAJZEEX-OALUTQOASA-N 1 3 322.537 3.848 20 0 DHADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cc(F)c(Cl)cc1Cl ZINC000643533706 1024537193 /nfs/dbraw/zinc/53/71/93/1024537193.db2.gz CDQKTHKQXMMQBJ-OTYXRUKQSA-N 1 3 317.235 3.925 20 0 DHADHO Cc1ncccc1CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350552796 1024825922 /nfs/dbraw/zinc/82/59/22/1024825922.db2.gz GBZAOUCOGKBRII-LEWJYISDSA-N 1 3 323.484 3.562 20 0 DHADHO Cc1cc(F)ccc1[C@@H](C)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000925825604 1024858074 /nfs/dbraw/zinc/85/80/74/1024858074.db2.gz ARASZOZLZUTJKT-OLZOCXBDSA-N 1 3 301.409 3.708 20 0 DHADHO Cc1cc(C)c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000062253099 1024927864 /nfs/dbraw/zinc/92/78/64/1024927864.db2.gz XHTPVVLWPCXKFO-OALUTQOASA-N 1 3 318.505 3.591 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179931 1025039127 /nfs/dbraw/zinc/03/91/27/1025039127.db2.gz ODTNXHCWCVUVFE-CTNGQTDRSA-N 1 3 308.469 3.902 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179931 1025039130 /nfs/dbraw/zinc/03/91/30/1025039130.db2.gz ODTNXHCWCVUVFE-CTNGQTDRSA-N 1 3 308.469 3.902 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179931 1025039140 /nfs/dbraw/zinc/03/91/40/1025039140.db2.gz ODTNXHCWCVUVFE-CTNGQTDRSA-N 1 3 308.469 3.902 20 0 DHADHO CCCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000353522216 1025107095 /nfs/dbraw/zinc/10/70/95/1025107095.db2.gz GIPYNSLRNPACGI-CRAIPNDOSA-N 1 3 317.477 3.517 20 0 DHADHO CCCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000353522216 1025107105 /nfs/dbraw/zinc/10/71/05/1025107105.db2.gz GIPYNSLRNPACGI-CRAIPNDOSA-N 1 3 317.477 3.517 20 0 DHADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000279836745 1025281139 /nfs/dbraw/zinc/28/11/39/1025281139.db2.gz ZNEJHWKBYOBNMV-JXFKEZNVSA-N 1 3 316.489 3.759 20 0 DHADHO CC(C)Oc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000124375637 1025333122 /nfs/dbraw/zinc/33/31/22/1025333122.db2.gz CBGDPICOJFMCQQ-HZPDHXFCSA-N 1 3 302.462 3.609 20 0 DHADHO CC(C)Oc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000124375637 1025333133 /nfs/dbraw/zinc/33/31/33/1025333133.db2.gz CBGDPICOJFMCQQ-HZPDHXFCSA-N 1 3 302.462 3.609 20 0 DHADHO CC(C)Oc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000124375865 1025334234 /nfs/dbraw/zinc/33/42/34/1025334234.db2.gz CBGDPICOJFMCQQ-JKSUJKDBSA-N 1 3 302.462 3.609 20 0 DHADHO CC(C)Oc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000124375865 1025334248 /nfs/dbraw/zinc/33/42/48/1025334248.db2.gz CBGDPICOJFMCQQ-JKSUJKDBSA-N 1 3 302.462 3.609 20 0 DHADHO CC(C)C1CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000236587336 1025413328 /nfs/dbraw/zinc/41/33/28/1025413328.db2.gz DQSZABWRSIQYSJ-LPOKXYRGSA-N 1 3 310.526 3.680 20 0 DHADHO CCN1CCC([N@H+](C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000125270796 1025461590 /nfs/dbraw/zinc/46/15/90/1025461590.db2.gz FJYSKZGPMPGSPY-UHFFFAOYSA-N 1 3 316.367 3.501 20 0 DHADHO CCN1CCC([N@@H+](C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000125270796 1025461600 /nfs/dbraw/zinc/46/16/00/1025461600.db2.gz FJYSKZGPMPGSPY-UHFFFAOYSA-N 1 3 316.367 3.501 20 0 DHADHO CC[NH+](CC)C[C@H]1CCN(CC[C@@H](C)OCc2ccccc2)C1 ZINC000354837483 1025519582 /nfs/dbraw/zinc/51/95/82/1025519582.db2.gz OFWLLTKYRVPEID-UYAOXDASSA-N 1 3 318.505 3.646 20 0 DHADHO C[C@H](NCCOC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127665 1025519500 /nfs/dbraw/zinc/51/95/00/1025519500.db2.gz PFHLXSQZMYKKAD-IRXDYDNUSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](NCCOC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127665 1025519511 /nfs/dbraw/zinc/51/95/11/1025519511.db2.gz PFHLXSQZMYKKAD-IRXDYDNUSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H]([NH2+]CCOC1CCCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000886127665 1025519519 /nfs/dbraw/zinc/51/95/19/1025519519.db2.gz PFHLXSQZMYKKAD-IRXDYDNUSA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)[NH+]1CCC(N(C)Cc2cc3c(cccc3O)s2)CC1 ZINC000893920591 1025602448 /nfs/dbraw/zinc/60/24/48/1025602448.db2.gz UAUSCOOXMVTFAV-UHFFFAOYSA-N 1 3 318.486 3.912 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506551 1025660396 /nfs/dbraw/zinc/66/03/96/1025660396.db2.gz YMGUDQHLKHXBCJ-UGSOOPFHSA-N 1 3 315.436 3.616 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506551 1025660407 /nfs/dbraw/zinc/66/04/07/1025660407.db2.gz YMGUDQHLKHXBCJ-UGSOOPFHSA-N 1 3 315.436 3.616 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506551 1025660416 /nfs/dbraw/zinc/66/04/16/1025660416.db2.gz YMGUDQHLKHXBCJ-UGSOOPFHSA-N 1 3 315.436 3.616 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506550 1025661622 /nfs/dbraw/zinc/66/16/22/1025661622.db2.gz YMGUDQHLKHXBCJ-SCLBCKFNSA-N 1 3 315.436 3.616 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506550 1025661630 /nfs/dbraw/zinc/66/16/30/1025661630.db2.gz YMGUDQHLKHXBCJ-SCLBCKFNSA-N 1 3 315.436 3.616 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506550 1025661635 /nfs/dbraw/zinc/66/16/35/1025661635.db2.gz YMGUDQHLKHXBCJ-SCLBCKFNSA-N 1 3 315.436 3.616 20 0 DHADHO CC[C@H](N[C@H](C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000049553285 1025714406 /nfs/dbraw/zinc/71/44/06/1025714406.db2.gz HVQAQYHBXZHBNT-DOMZBBRYSA-N 1 3 313.283 3.830 20 0 DHADHO CS[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886646384 1025755779 /nfs/dbraw/zinc/75/57/79/1025755779.db2.gz HVMLQGDHLRWMON-PJVZLEMVSA-N 1 3 316.514 3.523 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CCCN(CC)C1)c1cc(C)ccc1OC ZINC000093403332 1025894453 /nfs/dbraw/zinc/89/44/53/1025894453.db2.gz KXLUTFNJNDHGLY-SJLPKXTDSA-N 1 3 304.478 3.776 20 0 DHADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccnc1 ZINC000245659127 1026115501 /nfs/dbraw/zinc/11/55/01/1026115501.db2.gz FFKMSHBGOZOKCJ-OTNPHJDUSA-N 1 3 321.468 3.928 20 0 DHADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccccc1N(C)C ZINC000093941884 1026134523 /nfs/dbraw/zinc/13/45/23/1026134523.db2.gz PXVWANAZTWTYSP-MRXNPFEDSA-N 1 3 311.473 3.665 20 0 DHADHO CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000356865082 1026200671 /nfs/dbraw/zinc/20/06/71/1026200671.db2.gz LBBASZROMXXXGO-CQSZACIVSA-N 1 3 315.436 3.696 20 0 DHADHO Clc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000533075685 1026207529 /nfs/dbraw/zinc/20/75/29/1026207529.db2.gz BJESXWZYJPGIDH-CRAIPNDOSA-N 1 3 304.865 3.789 20 0 DHADHO Clc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000533075685 1026207534 /nfs/dbraw/zinc/20/75/34/1026207534.db2.gz BJESXWZYJPGIDH-CRAIPNDOSA-N 1 3 304.865 3.789 20 0 DHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000571431458 1026281028 /nfs/dbraw/zinc/28/10/28/1026281028.db2.gz HJQVIVLJRWZRLZ-CVEARBPZSA-N 1 3 321.534 3.840 20 0 DHADHO CCCCN1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000283900778 1026437800 /nfs/dbraw/zinc/43/78/00/1026437800.db2.gz CXNSWKXIAUFENL-IBGZPJMESA-N 1 3 302.462 3.624 20 0 DHADHO CC1CCN(CCC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280417862 1026646023 /nfs/dbraw/zinc/64/60/23/1026646023.db2.gz ZBPPONBATWZCLO-IBGZPJMESA-N 1 3 301.478 3.634 20 0 DHADHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1C(F)(F)F ZINC000414444565 1026787236 /nfs/dbraw/zinc/78/72/36/1026787236.db2.gz QAGHFOBKIOBUFT-CZUORRHYSA-N 1 3 314.395 3.786 20 0 DHADHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1C(F)(F)F ZINC000414444565 1026787248 /nfs/dbraw/zinc/78/72/48/1026787248.db2.gz QAGHFOBKIOBUFT-CZUORRHYSA-N 1 3 314.395 3.786 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)N(C)CC[C@@H]1CCC[NH2+]C1 ZINC000420300337 1026799359 /nfs/dbraw/zinc/79/93/59/1026799359.db2.gz KCFGSQLTTHIOIK-KBPBESRZSA-N 1 3 303.475 3.679 20 0 DHADHO CC(C)Oc1ccc(CN2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000420319213 1026802828 /nfs/dbraw/zinc/80/28/28/1026802828.db2.gz XNDQXAHUJQBGSF-AWEZNQCLSA-N 1 3 310.869 3.688 20 0 DHADHO C[N@@H+]1CCC[C@]2(CCN(Cc3cc4ccccc4s3)C2)C1 ZINC000571302263 1027117540 /nfs/dbraw/zinc/11/75/40/1027117540.db2.gz JSEYQQCCWCYWFW-SFHVURJKSA-N 1 3 300.471 3.819 20 0 DHADHO C[N@H+]1CCC[C@]2(CCN(Cc3cc4ccccc4s3)C2)C1 ZINC000571302263 1027117547 /nfs/dbraw/zinc/11/75/47/1027117547.db2.gz JSEYQQCCWCYWFW-SFHVURJKSA-N 1 3 300.471 3.819 20 0 DHADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000561955060 1027141880 /nfs/dbraw/zinc/14/18/80/1027141880.db2.gz OVOANQDZNMILJP-AZUAARDMSA-N 1 3 302.506 3.823 20 0 DHADHO CCOc1ccc(Cl)cc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000271864809 1027168355 /nfs/dbraw/zinc/16/83/55/1027168355.db2.gz LFVKQFUYHCKPFD-CYBMUJFWSA-N 1 3 308.853 3.651 20 0 DHADHO CCOc1ccc(Cl)cc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000271864809 1027168361 /nfs/dbraw/zinc/16/83/61/1027168361.db2.gz LFVKQFUYHCKPFD-CYBMUJFWSA-N 1 3 308.853 3.651 20 0 DHADHO CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422700586 1027297594 /nfs/dbraw/zinc/29/75/94/1027297594.db2.gz AHIPPDNDHHNPOM-CRAIPNDOSA-N 1 3 311.473 3.911 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCCCCOCCc2ccccc2)c2ccccc21 ZINC000422724284 1027305461 /nfs/dbraw/zinc/30/54/61/1027305461.db2.gz VGDGYSXSDXVPPO-NHCUHLMSSA-N 1 3 324.468 3.760 20 0 DHADHO Cc1ccccc1[C@H](C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422741374 1027312256 /nfs/dbraw/zinc/31/22/56/1027312256.db2.gz DJBSSWIQPRFTER-LRQRDZAKSA-N 1 3 322.452 3.902 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000422772669 1027313477 /nfs/dbraw/zinc/31/34/77/1027313477.db2.gz XLQNKSRDJYHYBA-MDKPJZGXSA-N 1 3 323.484 3.911 20 0 DHADHO Cc1cccc2c(CCN[C@@H]3C[C@@H]([NH3+])c4ccccc43)c[nH]c21 ZINC000422783059 1027318886 /nfs/dbraw/zinc/31/88/86/1027318886.db2.gz MOYTYYQVSMQEPQ-RTBURBONSA-N 1 3 305.425 3.753 20 0 DHADHO Cc1cccc(O[C@H](C)CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422778094 1027320717 /nfs/dbraw/zinc/32/07/17/1027320717.db2.gz ABEPHPXWSOXBMF-VBSBHUPXSA-N 1 3 316.489 3.663 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])cc2)cs1 ZINC000422800913 1027325888 /nfs/dbraw/zinc/32/58/88/1027325888.db2.gz DFWAGJFIOGNPPY-UPJWGTAASA-N 1 3 303.475 3.895 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000422803935 1027325945 /nfs/dbraw/zinc/32/59/45/1027325945.db2.gz DOHTYCVHDYCMPM-ANULTFPQSA-N 1 3 322.452 3.950 20 0 DHADHO CC(C)c1nc(CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)cs1 ZINC000422900693 1027352528 /nfs/dbraw/zinc/35/25/28/1027352528.db2.gz JWMRWGYTQQYAAH-HZPDHXFCSA-N 1 3 301.459 3.543 20 0 DHADHO COc1ccccc1Oc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422903243 1027353690 /nfs/dbraw/zinc/35/36/90/1027353690.db2.gz FGKBAIFOIRAYGL-CABCVRRESA-N 1 3 314.429 3.703 20 0 DHADHO CC(C)(CO)[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422965878 1027371332 /nfs/dbraw/zinc/37/13/32/1027371332.db2.gz MHMQMYQYKNFTCT-AQNXPRMDSA-N 1 3 324.468 3.523 20 0 DHADHO C[C@H](NCC1(c2ccc(C(C)(C)C)cc2)CCC1)C1C[NH2+]C1 ZINC000422949151 1027375962 /nfs/dbraw/zinc/37/59/62/1027375962.db2.gz UESSKOQOPXJZCP-HNNXBMFYSA-N 1 3 300.490 3.603 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCc2c1cccc2Cl ZINC000422944594 1027377193 /nfs/dbraw/zinc/37/71/93/1027377193.db2.gz ZYOSBUVNAULDKG-KZULUSFZSA-N 1 3 315.848 3.840 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422951061 1027378508 /nfs/dbraw/zinc/37/85/08/1027378508.db2.gz XGUYMHIEBLNCNM-ZNMIVQPWSA-N 1 3 308.466 3.651 20 0 DHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccc(F)cc1Cl ZINC000422955460 1027378629 /nfs/dbraw/zinc/37/86/29/1027378629.db2.gz LYOKNBOEYZTYCQ-SCLBCKFNSA-N 1 3 320.839 3.570 20 0 DHADHO Cc1cccc(O[C@H]2CCCC[C@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423000840 1027385252 /nfs/dbraw/zinc/38/52/52/1027385252.db2.gz VTJFWKPCAPHTHH-UMAFKHPFSA-N 1 3 314.473 3.558 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1csc(C(C)(C)C)n1 ZINC000423016029 1027389897 /nfs/dbraw/zinc/38/98/97/1027389897.db2.gz ATOHQVKTYMGOSS-CABCVRRESA-N 1 3 323.550 3.884 20 0 DHADHO Cc1oc2ccccc2c1CC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423046849 1027393291 /nfs/dbraw/zinc/39/32/91/1027393291.db2.gz GDNFFAMMKXIOMQ-ZDUSSCGKSA-N 1 3 323.440 3.797 20 0 DHADHO C[C@@H](Cc1ccccc1C(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423044656 1027399258 /nfs/dbraw/zinc/39/92/58/1027399258.db2.gz RBOMHBQBCZDHAF-YXQSOJMXSA-N 1 3 312.379 3.509 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423045967 1027400982 /nfs/dbraw/zinc/40/09/82/1027400982.db2.gz DNIOCWTXDPVZEJ-GQWLDOHISA-N 1 3 322.452 3.850 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000423074358 1027406320 /nfs/dbraw/zinc/40/63/20/1027406320.db2.gz LITGTJRARWVUEU-MNOVXSKESA-N 1 3 303.372 3.620 20 0 DHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092337 1027414915 /nfs/dbraw/zinc/41/49/15/1027414915.db2.gz BKRQZTHGEHOFFP-JRJVTICQSA-N 1 3 312.432 3.620 20 0 DHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000423100273 1027418562 /nfs/dbraw/zinc/41/85/62/1027418562.db2.gz UZSKVYXEHGURON-OYRIPWCXSA-N 1 3 312.432 3.620 20 0 DHADHO FC(F)(F)C1(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCC1 ZINC000423113325 1027427016 /nfs/dbraw/zinc/42/70/16/1027427016.db2.gz UCDMUTJQBIIILC-HUUCEWRRSA-N 1 3 312.379 3.802 20 0 DHADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423114064 1027428328 /nfs/dbraw/zinc/42/83/28/1027428328.db2.gz LFAJQIYBTWQGHP-UEKVPHQBSA-N 1 3 300.368 3.872 20 0 DHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC/C=C/c1ccc(Br)cc1 ZINC000423149647 1027431610 /nfs/dbraw/zinc/43/16/10/1027431610.db2.gz ASELIRINEWWMCH-BVWQNDCPSA-N 1 3 323.278 3.569 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CSc2ccccc21 ZINC000423149185 1027432541 /nfs/dbraw/zinc/43/25/41/1027432541.db2.gz XKZFXAUQBAXSKC-OAGGEKHMSA-N 1 3 304.503 3.776 20 0 DHADHO C[C@@H](Cc1ccccc1C(F)(F)F)NCC1([NH3+])CCCCC1 ZINC000423178150 1027443148 /nfs/dbraw/zinc/44/31/48/1027443148.db2.gz KITLLJPKDYVNGB-ZDUSSCGKSA-N 1 3 314.395 3.888 20 0 DHADHO COc1ccc([C@H](Cc2ccccc2)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000423207370 1027445443 /nfs/dbraw/zinc/44/54/43/1027445443.db2.gz GWQPSLSIWHCCSW-RXVVDRJESA-N 1 3 324.468 3.568 20 0 DHADHO Cc1cc([C@H](C)NCCC[NH2+]Cc2cccnc2)cc(C)c1F ZINC000423190199 1027450135 /nfs/dbraw/zinc/45/01/35/1027450135.db2.gz QLNRLQZVDGVCHP-INIZCTEOSA-N 1 3 315.436 3.668 20 0 DHADHO C[C@H]([NH3+])CCN[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423227186 1027466399 /nfs/dbraw/zinc/46/63/99/1027466399.db2.gz UTDNMTOFIOFHJF-JSGCOSHPSA-N 1 3 301.459 3.514 20 0 DHADHO COc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000423292688 1027485734 /nfs/dbraw/zinc/48/57/34/1027485734.db2.gz NYQVMMPZQMGULL-ZIAGYGMSSA-N 1 3 314.429 3.574 20 0 DHADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423275710 1027493909 /nfs/dbraw/zinc/49/39/09/1027493909.db2.gz NMNAVRNMSZPXSH-FZMZJTMJSA-N 1 3 320.424 3.975 20 0 DHADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295956305 1027500544 /nfs/dbraw/zinc/50/05/44/1027500544.db2.gz MQSYMPXZYZMROT-AOUJJNKBSA-N 1 3 302.437 3.664 20 0 DHADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295956305 1027500554 /nfs/dbraw/zinc/50/05/54/1027500554.db2.gz MQSYMPXZYZMROT-AOUJJNKBSA-N 1 3 302.437 3.664 20 0 DHADHO CCCC[C@H](CN)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423300461 1027504537 /nfs/dbraw/zinc/50/45/37/1027504537.db2.gz RQZNSPRTRRYLOP-MWLCHTKSSA-N 1 3 317.296 3.605 20 0 DHADHO Clc1cccc(CC2(NC3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000562569254 1027506242 /nfs/dbraw/zinc/50/62/42/1027506242.db2.gz GKJROKABBFHLSW-UHFFFAOYSA-N 1 3 318.892 3.879 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000423356643 1027521158 /nfs/dbraw/zinc/52/11/58/1027521158.db2.gz HBCMDDGPNRFTPV-HZSPNIEDSA-N 1 3 303.475 3.520 20 0 DHADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423369380 1027525022 /nfs/dbraw/zinc/52/50/22/1027525022.db2.gz BVURZJLYQJCOHD-WOSRLPQWSA-N 1 3 314.395 3.757 20 0 DHADHO CC(C)[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423395651 1027532905 /nfs/dbraw/zinc/53/29/05/1027532905.db2.gz NIWWASLIZQIFSK-MAZHCROVSA-N 1 3 314.395 3.990 20 0 DHADHO CC[C@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423470385 1027558539 /nfs/dbraw/zinc/55/85/39/1027558539.db2.gz PHDYKIFSBXYKCX-FZMZJTMJSA-N 1 3 319.449 3.654 20 0 DHADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1csc(-c2ccccc2)n1 ZINC000423476199 1027561981 /nfs/dbraw/zinc/56/19/81/1027561981.db2.gz IPINLEAXKPTKRD-HOCLYGCPSA-N 1 3 315.486 3.993 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC000576444365 1027615271 /nfs/dbraw/zinc/61/52/71/1027615271.db2.gz LDFUCTXTAKUUSY-UHFFFAOYSA-N 1 3 315.505 3.514 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC000576444365 1027615277 /nfs/dbraw/zinc/61/52/77/1027615277.db2.gz LDFUCTXTAKUUSY-UHFFFAOYSA-N 1 3 315.505 3.514 20 0 DHADHO Fc1cc2c(cc1Cl)[C@H]([NH2+]C1CCN(CC3CC3)CC1)CC2 ZINC000527846480 1027906433 /nfs/dbraw/zinc/90/64/33/1027906433.db2.gz FQFFMQDOKOQACM-GOSISDBHSA-N 1 3 322.855 3.930 20 0 DHADHO CC[C@@H](C)c1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000527856024 1027922041 /nfs/dbraw/zinc/92/20/41/1027922041.db2.gz XYJYCQRFJBGHNM-IAGOWNOFSA-N 1 3 318.505 3.698 20 0 DHADHO Cc1cc(C)cc(CC[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000159505847 1028020628 /nfs/dbraw/zinc/02/06/28/1028020628.db2.gz BDIGXTYXCWCDIJ-UHFFFAOYSA-N 1 3 300.490 3.843 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000578617377 1028196870 /nfs/dbraw/zinc/19/68/70/1028196870.db2.gz JWTMJFFWDQUOJL-IPELMVKDSA-N 1 3 323.484 3.911 20 0 DHADHO CCC[NH+]1CCC(N(C)C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449019398 1028247566 /nfs/dbraw/zinc/24/75/66/1028247566.db2.gz WDBZTIZOHXVWFT-CQSZACIVSA-N 1 3 310.432 3.875 20 0 DHADHO CCN1CCC[C@@H](C[NH2+]Cc2cc3ccccc3c(OC)c2)C1 ZINC000449104005 1028355561 /nfs/dbraw/zinc/35/55/61/1028355561.db2.gz DELYZDOEDANOSG-INIZCTEOSA-N 1 3 312.457 3.670 20 0 DHADHO CCCN1CC[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449094926 1028371099 /nfs/dbraw/zinc/37/10/99/1028371099.db2.gz VAXDROZMVRCBMJ-LRYGQEGESA-N 1 3 308.510 3.578 20 0 DHADHO c1ccc2c(c1)C[C@@H]1[C@H](NC3CC[NH+](C4CCCCC4)CC3)[C@H]21 ZINC000368591633 1028381686 /nfs/dbraw/zinc/38/16/86/1028381686.db2.gz IDLJTORCLHHXQD-HBMCJLEFSA-N 1 3 310.485 3.711 20 0 DHADHO c1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)[C@H]21 ZINC000368591633 1028381702 /nfs/dbraw/zinc/38/17/02/1028381702.db2.gz IDLJTORCLHHXQD-HBMCJLEFSA-N 1 3 310.485 3.711 20 0 DHADHO CC[C@H](C)[C@@H](O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449139995 1028395788 /nfs/dbraw/zinc/39/57/88/1028395788.db2.gz BPFJVUWCNSERGG-RDJZCZTQSA-N 1 3 312.542 3.662 20 0 DHADHO CSCC1CCC([NH2+]C[C@@H]2CCCN(CC(C)C)C2)CC1 ZINC000449208782 1028444990 /nfs/dbraw/zinc/44/49/90/1028444990.db2.gz OJBWAPTXRQTGGG-ADKAHSJRSA-N 1 3 312.567 3.866 20 0 DHADHO C[C@@H](CNC1CC([NH+]2CCCCC2)C1)c1cc(F)cc(F)c1 ZINC000449304303 1028524600 /nfs/dbraw/zinc/52/46/00/1028524600.db2.gz ZFZZIHGSXGNYMV-TZYSRNFLSA-N 1 3 308.416 3.675 20 0 DHADHO C[C@@H]1C[C@@H](C[NH2+]C2CCN(CC3CCCCC3)CC2)C[C@H](C)O1 ZINC000369862715 1028541635 /nfs/dbraw/zinc/54/16/35/1028541635.db2.gz JUZGESSZMVZHNT-IZZQQSIFSA-N 1 3 322.537 3.824 20 0 DHADHO CC1(F)CC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000449376757 1028586248 /nfs/dbraw/zinc/58/62/48/1028586248.db2.gz PALKHVAPFZOOOT-KBKAQKEBSA-N 1 3 316.464 3.767 20 0 DHADHO CC(C)Oc1ccc(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000565945033 1028656288 /nfs/dbraw/zinc/65/62/88/1028656288.db2.gz BUYVOVFPUCOULA-WOJBJXKFSA-N 1 3 310.441 3.751 20 0 DHADHO CCO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449756214 1028976906 /nfs/dbraw/zinc/97/69/06/1028976906.db2.gz OWNDLVISTACVBL-OQIJWPOYSA-N 1 3 308.510 3.577 20 0 DHADHO CCO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449756589 1028979329 /nfs/dbraw/zinc/97/93/29/1028979329.db2.gz BMFGVTVYEYFVDG-RSPOEFSDSA-N 1 3 322.537 3.967 20 0 DHADHO CCc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817897545 1029268740 /nfs/dbraw/zinc/26/87/40/1029268740.db2.gz RUDCRISFYHKVEW-TZIWHRDSSA-N 1 3 322.452 3.595 20 0 DHADHO C[C@H](C[C@@H](O)c1ccc(F)cc1)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000817905768 1029271778 /nfs/dbraw/zinc/27/17/78/1029271778.db2.gz SUAQWYKSUSKYMN-VVWQDTPRSA-N 1 3 322.468 3.538 20 0 DHADHO CC[NH+]1CCC(CNCc2ccc(F)c(Cl)c2Cl)CC1 ZINC000570117056 1029316758 /nfs/dbraw/zinc/31/67/58/1029316758.db2.gz YONFTVOKFNSHFQ-UHFFFAOYSA-N 1 3 319.251 3.954 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817978223 1029318062 /nfs/dbraw/zinc/31/80/62/1029318062.db2.gz YROMGNYXWZJOQM-BHDSKKPTSA-N 1 3 300.418 3.704 20 0 DHADHO Clc1cc2c(s1)CC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000570249736 1029340237 /nfs/dbraw/zinc/34/02/37/1029340237.db2.gz CWINMZLUASGRRQ-CQSZACIVSA-N 1 3 310.894 3.853 20 0 DHADHO Cc1ccc([C@@H](NCC2([NH3+])CCOCC2)C2CCCCC2)cc1 ZINC000629523765 1029356879 /nfs/dbraw/zinc/35/68/79/1029356879.db2.gz IVOXHGBUXIRGEE-IBGZPJMESA-N 1 3 316.489 3.714 20 0 DHADHO c1cc2ccc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2[nH]1 ZINC000529535140 1029366540 /nfs/dbraw/zinc/36/65/40/1029366540.db2.gz FGSVLNPTNUKWBP-YLJYHZDGSA-N 1 3 309.457 3.617 20 0 DHADHO c1cc2ccc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2[nH]1 ZINC000529535140 1029366545 /nfs/dbraw/zinc/36/65/45/1029366545.db2.gz FGSVLNPTNUKWBP-YLJYHZDGSA-N 1 3 309.457 3.617 20 0 DHADHO CC1=Nc2ccc3cc(N[C@H](N)CCC[NH3+])ccc3c2C1(C)C ZINC001170898553 1029368487 /nfs/dbraw/zinc/36/84/87/1029368487.db2.gz DOUUWQIWTKPWBU-KRWDZBQOSA-N 1 3 310.445 3.659 20 0 DHADHO C[C@@H]1CCC[C@H](CCN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629562010 1029372124 /nfs/dbraw/zinc/37/21/24/1029372124.db2.gz MGRMLLPWLIRHBC-APIJFGDWSA-N 1 3 306.416 3.662 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@H]2CC23CC3)cc1CN1CCCCC1 ZINC000818355924 1029383897 /nfs/dbraw/zinc/38/38/97/1029383897.db2.gz LBKGHDOSNVFEKI-KXBFYZLASA-N 1 3 314.473 3.884 20 0 DHADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc3ccccc3s2)C1 ZINC000571007099 1029443609 /nfs/dbraw/zinc/44/36/09/1029443609.db2.gz XRSPBWOECBODSW-NVXWUHKLSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc3ccccc3s2)C1 ZINC000571007099 1029443614 /nfs/dbraw/zinc/44/36/14/1029443614.db2.gz XRSPBWOECBODSW-NVXWUHKLSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3ccccc3s2)C1 ZINC000571007099 1029443620 /nfs/dbraw/zinc/44/36/20/1029443620.db2.gz XRSPBWOECBODSW-NVXWUHKLSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3ccccc3s2)C1 ZINC000571007099 1029443626 /nfs/dbraw/zinc/44/36/26/1029443626.db2.gz XRSPBWOECBODSW-NVXWUHKLSA-N 1 3 300.471 3.817 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(Cl)c(OC)c2)[C@H](C)C1 ZINC000450572356 1029553245 /nfs/dbraw/zinc/55/32/45/1029553245.db2.gz UNMRBPNGXKBYNZ-CJNGLKHVSA-N 1 3 310.869 3.511 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)c(OC)c2)[C@H](C)C1 ZINC000450572356 1029553252 /nfs/dbraw/zinc/55/32/52/1029553252.db2.gz UNMRBPNGXKBYNZ-CJNGLKHVSA-N 1 3 310.869 3.511 20 0 DHADHO Cc1cccc(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000450740308 1029631538 /nfs/dbraw/zinc/63/15/38/1029631538.db2.gz USRGIODLCNOTFB-IAGOWNOFSA-N 1 3 323.484 3.636 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2ccc(Cl)cc2)C[C@H]1C ZINC000530662789 1029951154 /nfs/dbraw/zinc/95/11/54/1029951154.db2.gz BVHUZHCXJYXQIM-NVXWUHKLSA-N 1 3 324.896 3.914 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCCOc2ccc(Cl)cc2)C[C@H]1C ZINC000530662789 1029951169 /nfs/dbraw/zinc/95/11/69/1029951169.db2.gz BVHUZHCXJYXQIM-NVXWUHKLSA-N 1 3 324.896 3.914 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cc(Cl)cc2cccnc21 ZINC000290622161 1030130098 /nfs/dbraw/zinc/13/00/98/1030130098.db2.gz XHLXJKCWYHCZHJ-CXAGYDPISA-N 1 3 317.864 3.660 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc(Cl)cc2cccnc21 ZINC000290622161 1030130110 /nfs/dbraw/zinc/13/01/10/1030130110.db2.gz XHLXJKCWYHCZHJ-CXAGYDPISA-N 1 3 317.864 3.660 20 0 DHADHO CCOc1cccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924690156 1030160560 /nfs/dbraw/zinc/16/05/60/1030160560.db2.gz OOPLUBNESXQVFW-MRXNPFEDSA-N 1 3 312.457 3.998 20 0 DHADHO C[C@@H](CCc1cccnc1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000866249910 1030180439 /nfs/dbraw/zinc/18/04/39/1030180439.db2.gz QHKWAAULVYZLNT-KRWDZBQOSA-N 1 3 315.505 3.647 20 0 DHADHO C[C@@H](CCc1cccnc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000866278064 1030200734 /nfs/dbraw/zinc/20/07/34/1030200734.db2.gz LTKPGIGSCKTUMO-KRWDZBQOSA-N 1 3 315.505 3.789 20 0 DHADHO CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000924854504 1030208148 /nfs/dbraw/zinc/20/81/48/1030208148.db2.gz HNAAWDZNYNJLFG-UXHICEINSA-N 1 3 322.537 3.682 20 0 DHADHO CC[NH+]1CCC(CN[C@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924955988 1030235696 /nfs/dbraw/zinc/23/56/96/1030235696.db2.gz WFZISXDMCLEEMA-OAHLLOKOSA-N 1 3 313.445 3.724 20 0 DHADHO CC[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC000823747998 1030386541 /nfs/dbraw/zinc/38/65/41/1030386541.db2.gz PYUBANRSNQCSBJ-RBUKOAKNSA-N 1 3 308.510 3.578 20 0 DHADHO c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925532006 1030391308 /nfs/dbraw/zinc/39/13/08/1030391308.db2.gz UIBRDVQONIJBDP-VQTJNVASSA-N 1 3 323.484 3.535 20 0 DHADHO CC(C)[C@H](C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)c1cccnc1 ZINC000925539021 1030394196 /nfs/dbraw/zinc/39/41/96/1030394196.db2.gz XWGMAJXRODYFSC-UFYCRDLUSA-N 1 3 315.505 3.579 20 0 DHADHO CCCC[C@@H]1C[C@H]([NH2+]CCCCCCCCCCO)CCN1 ZINC001246285971 1030407898 /nfs/dbraw/zinc/40/78/98/1030407898.db2.gz GODYTDIZKXEJQZ-RTBURBONSA-N 1 3 312.542 4.000 20 0 DHADHO Cc1cc(C[N@@H+]2CC[C@@](CN)(C(C)(C)C)C2)c2ccccc2n1 ZINC000866707416 1030427568 /nfs/dbraw/zinc/42/75/68/1030427568.db2.gz OCNLYNNRQYRFNL-FQEVSTJZSA-N 1 3 311.473 3.740 20 0 DHADHO Cc1cc(C[N@H+]2CC[C@@](CN)(C(C)(C)C)C2)c2ccccc2n1 ZINC000866707416 1030427573 /nfs/dbraw/zinc/42/75/73/1030427573.db2.gz OCNLYNNRQYRFNL-FQEVSTJZSA-N 1 3 311.473 3.740 20 0 DHADHO C[C@H](N[C@H]1CN(C)Cc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000925635614 1030429214 /nfs/dbraw/zinc/42/92/14/1030429214.db2.gz STPUKDOAHHFJOJ-KKSFZXQISA-N 1 3 323.484 3.586 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCC2(c3ccc(C(F)(F)F)cc3)CC2)C12CCC2 ZINC000925645814 1030433055 /nfs/dbraw/zinc/43/30/55/1030433055.db2.gz TYVCUXLUHOMFPE-HUUCEWRRSA-N 1 3 324.390 3.597 20 0 DHADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC(F)(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925652000 1030441150 /nfs/dbraw/zinc/44/11/50/1030441150.db2.gz ABRSWIYFHGHWPI-JSGAYZESSA-N 1 3 322.855 3.786 20 0 DHADHO CSCC1CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925681081 1030451537 /nfs/dbraw/zinc/45/15/37/1030451537.db2.gz VVJDDGBPHJXNGT-KXIUCKCTSA-N 1 3 310.551 3.666 20 0 DHADHO CCSc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000925730344 1030466380 /nfs/dbraw/zinc/46/63/80/1030466380.db2.gz FQDTVDAOTIVJCT-ZDUSSCGKSA-N 1 3 315.486 3.812 20 0 DHADHO CN(CCC[NH+]1CCCC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171050120 1030492881 /nfs/dbraw/zinc/49/28/81/1030492881.db2.gz QLTDLCHQAKJJCA-INIZCTEOSA-N 1 3 306.881 3.615 20 0 DHADHO C[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000358456102 1030494877 /nfs/dbraw/zinc/49/48/77/1030494877.db2.gz AITDPHARXNEKLU-MHAAMQRSSA-N 1 3 308.510 3.575 20 0 DHADHO CSC1CCC(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925803412 1030503510 /nfs/dbraw/zinc/50/35/10/1030503510.db2.gz ZIAFIUOCGOKATM-KXIUCKCTSA-N 1 3 310.551 3.666 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccs2)[C@@H](C)C1 ZINC000246392110 1030508352 /nfs/dbraw/zinc/50/83/52/1030508352.db2.gz AYTHYABSPIZFLN-JYJNAYRXSA-N 1 3 310.507 3.536 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cccs2)[C@@H](C)C1 ZINC000246392110 1030508360 /nfs/dbraw/zinc/50/83/60/1030508360.db2.gz AYTHYABSPIZFLN-JYJNAYRXSA-N 1 3 310.507 3.536 20 0 DHADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423779 1030571388 /nfs/dbraw/zinc/57/13/88/1030571388.db2.gz RPGKNOGCJDHYEF-TZIWHRDSSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423779 1030571396 /nfs/dbraw/zinc/57/13/96/1030571396.db2.gz RPGKNOGCJDHYEF-TZIWHRDSSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423779 1030571403 /nfs/dbraw/zinc/57/14/03/1030571403.db2.gz RPGKNOGCJDHYEF-TZIWHRDSSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423779 1030571411 /nfs/dbraw/zinc/57/14/11/1030571411.db2.gz RPGKNOGCJDHYEF-TZIWHRDSSA-N 1 3 321.468 3.665 20 0 DHADHO C[NH+]1CCC2(CCCN2Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648535200 1030655728 /nfs/dbraw/zinc/65/57/28/1030655728.db2.gz VOQOQFISJAHASK-UHFFFAOYSA-N 1 3 319.836 3.541 20 0 DHADHO CC(C)CCN1CCC([NH2+]CC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000926652838 1030843585 /nfs/dbraw/zinc/84/35/85/1030843585.db2.gz YQPBKEPHKDMBGU-JKSUJKDBSA-N 1 3 304.881 3.791 20 0 DHADHO C[C@H](N[C@H]1CCc2ccc(O)cc21)c1cccc(C[NH+](C)C)c1 ZINC000926708469 1030875468 /nfs/dbraw/zinc/87/54/68/1030875468.db2.gz IKKRAHWFZZBCPH-XOBRGWDASA-N 1 3 310.441 3.792 20 0 DHADHO COc1ccnc([C@@H](C)NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000926890600 1030969365 /nfs/dbraw/zinc/96/93/65/1030969365.db2.gz WBJCSUPPAFGMIF-MDCZIUGASA-N 1 3 317.477 3.538 20 0 DHADHO Cc1c(CN2CCC(C[NH+](C)C)CC2)cccc1C(F)(F)F ZINC001143924014 1031090450 /nfs/dbraw/zinc/09/04/50/1031090450.db2.gz BCDPYJCXCCYLDD-UHFFFAOYSA-N 1 3 314.395 3.787 20 0 DHADHO CN(CCC[NH+]1CCCC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171131594 1031200162 /nfs/dbraw/zinc/20/01/62/1031200162.db2.gz YAOFUYYYJYWBAG-GOSISDBHSA-N 1 3 306.881 3.615 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000360416233 1031417156 /nfs/dbraw/zinc/41/71/56/1031417156.db2.gz FDBPVOFPANQELD-DLBZAZTESA-N 1 3 309.457 3.741 20 0 DHADHO CC(C)[C@@H](NCCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000536960261 1031478395 /nfs/dbraw/zinc/47/83/95/1031478395.db2.gz QGPUKYXIHZESNQ-OAHLLOKOSA-N 1 3 302.384 3.944 20 0 DHADHO CC(C)Oc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)c1 ZINC000537024611 1031490064 /nfs/dbraw/zinc/49/00/64/1031490064.db2.gz RJQXZSWCKNADNM-SJLPKXTDSA-N 1 3 304.478 3.999 20 0 DHADHO COCCN[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000361112168 1031735262 /nfs/dbraw/zinc/73/52/62/1031735262.db2.gz TWVCNDXHKXIQON-IBGZPJMESA-N 1 3 322.468 3.615 20 0 DHADHO C[C@@H](c1ccc(F)cc1)N(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202181 1031757627 /nfs/dbraw/zinc/75/76/27/1031757627.db2.gz MGHBIPAKRZAYAF-LBPRGKRZSA-N 1 3 304.434 3.726 20 0 DHADHO CC[C@@H](NCc1cc2c(s1)CC[NH2+]C2)c1ccccc1OC ZINC000873222918 1031763553 /nfs/dbraw/zinc/76/35/53/1031763553.db2.gz HJGPFAQCOBOOFU-MRXNPFEDSA-N 1 3 316.470 3.643 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCOC23CCCC3)CC1 ZINC000898111194 1031951534 /nfs/dbraw/zinc/95/15/34/1031951534.db2.gz INFOHKNLCNIYRK-QRQLOZEOSA-N 1 3 320.521 3.721 20 0 DHADHO Cc1ncccc1CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000898255493 1032003943 /nfs/dbraw/zinc/00/39/43/1032003943.db2.gz KEEGNFPFBDRFDR-UZLBHIALSA-N 1 3 315.505 3.565 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(Cl)cc1Cl ZINC000044534513 1032053864 /nfs/dbraw/zinc/05/38/64/1032053864.db2.gz ZDBTWBCJGXMEGO-VXGBXAGGSA-N 1 3 301.261 3.986 20 0 DHADHO c1ccc(-c2cccnc2)c(CNC2CC[NH+](CC3CC3)CC2)c1 ZINC001168360355 1033365998 /nfs/dbraw/zinc/36/59/98/1033365998.db2.gz OTOBWJYMDFUIMB-UHFFFAOYSA-N 1 3 321.468 3.713 20 0 DHADHO Cc1ccc2c(c1)C[C@H]([NH2+]CCCN1CCC(C)CC1)CC2 ZINC001172826966 1033390126 /nfs/dbraw/zinc/39/01/26/1033390126.db2.gz YLUHRBONZXDDTR-HXUWFJFHSA-N 1 3 300.490 3.564 20 0 DHADHO CC[C@H]1C[C@@H](CN2CCC(C)([NH+]3CCCCC3)CC2)CCO1 ZINC000877795122 1033455100 /nfs/dbraw/zinc/45/51/00/1033455100.db2.gz ZZNUOVCCNYYOPP-ROUUACIJSA-N 1 3 308.510 3.532 20 0 DHADHO Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000152402731 1033521068 /nfs/dbraw/zinc/52/10/68/1033521068.db2.gz FFUZFBOTUNJQJO-GUYCJALGSA-N 1 3 320.864 3.628 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1OC(F)F ZINC000152452408 1033523221 /nfs/dbraw/zinc/52/32/21/1033523221.db2.gz KFTLBNKEKOAYHL-XJKSGUPXSA-N 1 3 324.415 3.813 20 0 DHADHO CCc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2n1 ZINC000553634847 1033766455 /nfs/dbraw/zinc/76/64/55/1033766455.db2.gz CJQLQADLPTZBNP-SJPCQFCGSA-N 1 3 309.457 3.859 20 0 DHADHO CCc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2n1 ZINC000553634847 1033766467 /nfs/dbraw/zinc/76/64/67/1033766467.db2.gz CJQLQADLPTZBNP-SJPCQFCGSA-N 1 3 309.457 3.859 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cn(C(F)F)c2ccccc12 ZINC000863547963 1034125983 /nfs/dbraw/zinc/12/59/83/1034125983.db2.gz SQQUAUQSXNJTGT-IUODEOHRSA-N 1 3 307.388 3.514 20 0 DHADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCO2 ZINC000177733114 1034178928 /nfs/dbraw/zinc/17/89/28/1034178928.db2.gz VGGKFAGFIYFKBV-OAHLLOKOSA-N 1 3 310.441 3.534 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNc2ccnc3ccccc32)c1 ZINC000480394982 1034227701 /nfs/dbraw/zinc/22/77/01/1034227701.db2.gz LRPSFRDBTFTKPY-UHFFFAOYSA-N 1 3 305.425 3.721 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNc2ccnc3ccccc32)c1 ZINC000480394982 1034227715 /nfs/dbraw/zinc/22/77/15/1034227715.db2.gz LRPSFRDBTFTKPY-UHFFFAOYSA-N 1 3 305.425 3.721 20 0 DHADHO CCC1([NH+]2CCCCC2)CCN(C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000880255673 1034267868 /nfs/dbraw/zinc/26/78/68/1034267868.db2.gz UKWGABGSWDTGEE-ROUUACIJSA-N 1 3 308.510 3.532 20 0 DHADHO CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000554981415 1034452863 /nfs/dbraw/zinc/45/28/63/1034452863.db2.gz COLRLFHWBKGCDM-ICSRJNTNSA-N 1 3 318.505 3.692 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cccc(COc2ccccc2)c1 ZINC000480906531 1034509587 /nfs/dbraw/zinc/50/95/87/1034509587.db2.gz DSQBWVWIFWPHMC-LAUBAEHRSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(COc2ccccc2)c1 ZINC000480906531 1034509597 /nfs/dbraw/zinc/50/95/97/1034509597.db2.gz DSQBWVWIFWPHMC-LAUBAEHRSA-N 1 3 324.468 3.695 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)C1 ZINC000481055974 1034571693 /nfs/dbraw/zinc/57/16/93/1034571693.db2.gz UWYYAJQTNVDPHF-MJGOQNOKSA-N 1 3 306.469 3.714 20 0 DHADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000186566878 1034644862 /nfs/dbraw/zinc/64/48/62/1034644862.db2.gz SIZAMPUNZBOACM-UONOGXRCSA-N 1 3 324.871 3.973 20 0 DHADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000186566878 1034644868 /nfs/dbraw/zinc/64/48/68/1034644868.db2.gz SIZAMPUNZBOACM-UONOGXRCSA-N 1 3 324.871 3.973 20 0 DHADHO Cc1ccccc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000162865578 1034694649 /nfs/dbraw/zinc/69/46/49/1034694649.db2.gz MNJCYKSHZZIBOH-KSZLIROESA-N 1 3 304.478 3.535 20 0 DHADHO CC1CC[NH+](CC[C@@H]2CCCN2CCCc2cccnc2)CC1 ZINC001175362485 1034953263 /nfs/dbraw/zinc/95/32/63/1034953263.db2.gz VMKJRBUGVOPDEW-FQEVSTJZSA-N 1 3 315.505 3.601 20 0 DHADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCCc2cccnc2)CC1 ZINC001175362485 1034953271 /nfs/dbraw/zinc/95/32/71/1034953271.db2.gz VMKJRBUGVOPDEW-FQEVSTJZSA-N 1 3 315.505 3.601 20 0 DHADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCCc2cccnc2)CC1 ZINC001175362485 1034953281 /nfs/dbraw/zinc/95/32/81/1034953281.db2.gz VMKJRBUGVOPDEW-FQEVSTJZSA-N 1 3 315.505 3.601 20 0 DHADHO CCN(CC)CCC[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC001175600859 1035038741 /nfs/dbraw/zinc/03/87/41/1035038741.db2.gz DGXNFQDRHBVZLA-LJQANCHMSA-N 1 3 303.494 3.504 20 0 DHADHO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H](C)CCN(C)C)c1 ZINC000481963495 1035040934 /nfs/dbraw/zinc/04/09/34/1035040934.db2.gz RAQMBSXHJYPIJR-QWHCGFSZSA-N 1 3 300.393 3.587 20 0 DHADHO CC(C)CSCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000158588418 1035100021 /nfs/dbraw/zinc/10/00/21/1035100021.db2.gz BNMHUOMQYROQBO-SJLPKXTDSA-N 1 3 310.551 3.714 20 0 DHADHO CC(C)CSCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000158588418 1035100028 /nfs/dbraw/zinc/10/00/28/1035100028.db2.gz BNMHUOMQYROQBO-SJLPKXTDSA-N 1 3 310.551 3.714 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2sccc2C)[C@H](C)C1 ZINC000483135394 1035232112 /nfs/dbraw/zinc/23/21/12/1035232112.db2.gz OZFHCZVWYRTEMX-ZACQAIPSSA-N 1 3 324.534 3.844 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2sccc2C)[C@H](C)C1 ZINC000483135394 1035232117 /nfs/dbraw/zinc/23/21/17/1035232117.db2.gz OZFHCZVWYRTEMX-ZACQAIPSSA-N 1 3 324.534 3.844 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2sccc2C)[C@@H](C)C1 ZINC000483135388 1035232948 /nfs/dbraw/zinc/23/29/48/1035232948.db2.gz OZFHCZVWYRTEMX-BBWFWOEESA-N 1 3 324.534 3.844 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2sccc2C)[C@@H](C)C1 ZINC000483135388 1035232952 /nfs/dbraw/zinc/23/29/52/1035232952.db2.gz OZFHCZVWYRTEMX-BBWFWOEESA-N 1 3 324.534 3.844 20 0 DHADHO C[C@H]1C[C@H](N(C)CCc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000194602488 1035241655 /nfs/dbraw/zinc/24/16/55/1035241655.db2.gz ZBKORHDEHRKUFC-BLLLJJGKSA-N 1 3 315.288 3.950 20 0 DHADHO C[C@H]1C[C@H](N(C)CCc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000194602488 1035241658 /nfs/dbraw/zinc/24/16/58/1035241658.db2.gz ZBKORHDEHRKUFC-BLLLJJGKSA-N 1 3 315.288 3.950 20 0 DHADHO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000484473812 1035343405 /nfs/dbraw/zinc/34/34/05/1035343405.db2.gz ZIVKMHNKGMAUJT-RYQLBKOJSA-N 1 3 304.478 3.997 20 0 DHADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C2CC2)cc1 ZINC000484478490 1035344864 /nfs/dbraw/zinc/34/48/64/1035344864.db2.gz CKMTZVICDTXMFI-AABGKKOBSA-N 1 3 300.490 3.779 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)CN1CCCCC1 ZINC001177416588 1035369529 /nfs/dbraw/zinc/36/95/29/1035369529.db2.gz TUZCKWHBWPCIPU-HOJAQTOUSA-N 1 3 322.537 3.683 20 0 DHADHO Cc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000904476196 1035418759 /nfs/dbraw/zinc/41/87/59/1035418759.db2.gz SCLZTRHSKALLOP-TZIWHRDSSA-N 1 3 322.452 3.649 20 0 DHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)CC(C)C)CC1 ZINC001178272320 1035419951 /nfs/dbraw/zinc/41/99/51/1035419951.db2.gz OYRJTQPAXBPVTL-SFHVURJKSA-N 1 3 317.521 3.743 20 0 DHADHO C[C@@H](CC[NH2+]Cc1ccc(-c2ccccc2F)s1)N(C)C ZINC001179265701 1035471348 /nfs/dbraw/zinc/47/13/48/1035471348.db2.gz BKMDGQOVJIRXRZ-ZDUSSCGKSA-N 1 3 306.450 3.984 20 0 DHADHO CCCCN1CCC([NH2+]Cc2ccc(SC)c(OC)c2)CC1 ZINC000069160150 1035477196 /nfs/dbraw/zinc/47/71/96/1035477196.db2.gz MGQPJDGQHCTUGT-UHFFFAOYSA-N 1 3 322.518 3.771 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)CN1CCCCC1 ZINC000222437076 1035541340 /nfs/dbraw/zinc/54/13/40/1035541340.db2.gz BZYUKWJWYGBCQZ-RBSFLKMASA-N 1 3 306.416 3.819 20 0 DHADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000191570357 1035703013 /nfs/dbraw/zinc/70/30/13/1035703013.db2.gz UUAMPLAPNJPBSW-MOPGFXCFSA-N 1 3 323.569 3.597 20 0 DHADHO COc1ccc([C@@H](C)CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000539406780 1035720117 /nfs/dbraw/zinc/72/01/17/1035720117.db2.gz DLDAEPASCPLYNS-WMZOPIPTSA-N 1 3 304.478 3.605 20 0 DHADHO COc1ccc([C@@H](C)CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000539406780 1035720129 /nfs/dbraw/zinc/72/01/29/1035720129.db2.gz DLDAEPASCPLYNS-WMZOPIPTSA-N 1 3 304.478 3.605 20 0 DHADHO CC(C)C[C@H](C)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000668513528 1035722969 /nfs/dbraw/zinc/72/29/69/1035722969.db2.gz SXSMJUKHUSOHMT-KRWDZBQOSA-N 1 3 303.494 3.565 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CCc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC001204278769 1035752520 /nfs/dbraw/zinc/75/25/20/1035752520.db2.gz HACXJDOJKQXKNR-ICSRJNTNSA-N 1 3 314.517 3.943 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CCc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC001204278769 1035752539 /nfs/dbraw/zinc/75/25/39/1035752539.db2.gz HACXJDOJKQXKNR-ICSRJNTNSA-N 1 3 314.517 3.943 20 0 DHADHO C[C@H](CC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)N1CCCCC1 ZINC001180811554 1035768735 /nfs/dbraw/zinc/76/87/35/1035768735.db2.gz SEGRRZXUKHSCFO-KZNAEPCWSA-N 1 3 322.537 3.967 20 0 DHADHO CCC1(CC)CCC[N@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192843361 1035820848 /nfs/dbraw/zinc/82/08/48/1035820848.db2.gz HQXXYUQFAFPURZ-UHFFFAOYSA-N 1 3 323.569 3.695 20 0 DHADHO CCC1(CC)CCC[N@@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192843361 1035820863 /nfs/dbraw/zinc/82/08/63/1035820863.db2.gz HQXXYUQFAFPURZ-UHFFFAOYSA-N 1 3 323.569 3.695 20 0 DHADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC(C)(C)CN1CCCC1 ZINC001181426948 1035909568 /nfs/dbraw/zinc/90/95/68/1035909568.db2.gz HUQSXRIKJGAWDN-HNNXBMFYSA-N 1 3 324.459 3.998 20 0 DHADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc3c(cccc3O)s2)C1 ZINC001181534519 1035933700 /nfs/dbraw/zinc/93/37/00/1035933700.db2.gz MDFKLABJRNGWIJ-BBRMVZONSA-N 1 3 316.470 3.523 20 0 DHADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc3c(cccc3O)s2)C1 ZINC001181534519 1035933710 /nfs/dbraw/zinc/93/37/10/1035933710.db2.gz MDFKLABJRNGWIJ-BBRMVZONSA-N 1 3 316.470 3.523 20 0 DHADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC001181536132 1035936575 /nfs/dbraw/zinc/93/65/75/1035936575.db2.gz YBHJRCRQDAZXTP-FUHWJXTLSA-N 1 3 304.478 3.556 20 0 DHADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC001181536132 1035936587 /nfs/dbraw/zinc/93/65/87/1035936587.db2.gz YBHJRCRQDAZXTP-FUHWJXTLSA-N 1 3 304.478 3.556 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000540259589 1036025581 /nfs/dbraw/zinc/02/55/81/1036025581.db2.gz SAOCTDIUVXAUIX-DNVCBOLYSA-N 1 3 304.453 3.988 20 0 DHADHO FC1(F)CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000540983709 1036205683 /nfs/dbraw/zinc/20/56/83/1036205683.db2.gz UZQSXMXVIFBNRG-OAHLLOKOSA-N 1 3 300.437 3.951 20 0 DHADHO FC1(F)CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000540983709 1036205703 /nfs/dbraw/zinc/20/57/03/1036205703.db2.gz UZQSXMXVIFBNRG-OAHLLOKOSA-N 1 3 300.437 3.951 20 0 DHADHO C[NH+](C)CC[C@H](NCc1cc2ccc(F)cc2[nH]1)C(C)(C)C ZINC000486686791 1036358817 /nfs/dbraw/zinc/35/88/17/1036358817.db2.gz TWXAYHCBYKOZEK-KRWDZBQOSA-N 1 3 305.441 3.763 20 0 DHADHO C[C@@H](NCCc1cccc(F)c1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599139 1036375534 /nfs/dbraw/zinc/37/55/34/1036375534.db2.gz IELOYBUGIRXFNV-GDBMZVCRSA-N 1 3 322.443 3.750 20 0 DHADHO C[C@@H](NCCc1cccc(F)c1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599139 1036375552 /nfs/dbraw/zinc/37/55/52/1036375552.db2.gz IELOYBUGIRXFNV-GDBMZVCRSA-N 1 3 322.443 3.750 20 0 DHADHO C[C@H](NCCc1cccc(F)c1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599141 1036376157 /nfs/dbraw/zinc/37/61/57/1036376157.db2.gz IELOYBUGIRXFNV-HOCLYGCPSA-N 1 3 322.443 3.750 20 0 DHADHO C[C@H](NCCc1cccc(F)c1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599141 1036376177 /nfs/dbraw/zinc/37/61/77/1036376177.db2.gz IELOYBUGIRXFNV-HOCLYGCPSA-N 1 3 322.443 3.750 20 0 DHADHO C[C@H](CC[NH2+]CCCc1c(Cl)cccc1Cl)N(C)C ZINC001183105201 1036523904 /nfs/dbraw/zinc/52/39/04/1036523904.db2.gz ZYWOEFPIKODYIR-GFCCVEGCSA-N 1 3 303.277 3.856 20 0 DHADHO C[C@@H]1C[C@H]1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000488472654 1037038279 /nfs/dbraw/zinc/03/82/79/1037038279.db2.gz XFCDGUHBKJFEPA-PBHICJAKSA-N 1 3 306.881 3.798 20 0 DHADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CS1 ZINC000488587184 1037084887 /nfs/dbraw/zinc/08/48/87/1037084887.db2.gz YAORRBPWPRNPEG-OVWQWFNUSA-N 1 3 310.551 3.759 20 0 DHADHO CC(C)(C)OC1CC([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000493054279 1037134608 /nfs/dbraw/zinc/13/46/08/1037134608.db2.gz HSPTWIORSWGRRS-UHFFFAOYSA-N 1 3 308.510 3.719 20 0 DHADHO CC(C)(C)OC1CC(NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000493054279 1037134616 /nfs/dbraw/zinc/13/46/16/1037134616.db2.gz HSPTWIORSWGRRS-UHFFFAOYSA-N 1 3 308.510 3.719 20 0 DHADHO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309833956 1037186747 /nfs/dbraw/zinc/18/67/47/1037186747.db2.gz HPKRSWWQJOGTIU-APWZRJJASA-N 1 3 312.432 3.826 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[C@H]2CCCCO2)C1 ZINC000347433115 1037190120 /nfs/dbraw/zinc/19/01/20/1037190120.db2.gz GOBBOCSNZCCUQI-CEXWTWQISA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[C@H]2CCCCO2)C1 ZINC000347433115 1037190129 /nfs/dbraw/zinc/19/01/29/1037190129.db2.gz GOBBOCSNZCCUQI-CEXWTWQISA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000310003465 1037200455 /nfs/dbraw/zinc/20/04/55/1037200455.db2.gz GINOZPZHPFTDHN-BHIYHBOVSA-N 1 3 318.530 3.630 20 0 DHADHO C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000310003469 1037202201 /nfs/dbraw/zinc/20/22/01/1037202201.db2.gz GINOZPZHPFTDHN-NZSAHSFTSA-N 1 3 318.530 3.630 20 0 DHADHO Fc1ccc2c(c1)[C@@H](N1CCC(C[NH+]3CCCC3)CC1)CC2 ZINC000177705319 1037261280 /nfs/dbraw/zinc/26/12/80/1037261280.db2.gz CRAKTWCQVAKZDY-IBGZPJMESA-N 1 3 302.437 3.621 20 0 DHADHO C[C@@H](Cc1cccc(F)c1)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001168455658 1037345730 /nfs/dbraw/zinc/34/57/30/1037345730.db2.gz HOTBYEUWZBGQEB-ZACQAIPSSA-N 1 3 306.469 3.714 20 0 DHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183726745 1037704647 /nfs/dbraw/zinc/70/46/47/1037704647.db2.gz ZQLCTYGSVGJFFC-NEXFUWMNSA-N 1 3 306.416 3.818 20 0 DHADHO CN(CCCc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235952442 1037706656 /nfs/dbraw/zinc/70/66/56/1037706656.db2.gz XRAASFULPNIWFR-CQSZACIVSA-N 1 3 315.288 3.857 20 0 DHADHO CC(C)O[C@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(C)C ZINC000185234128 1037787854 /nfs/dbraw/zinc/78/78/54/1037787854.db2.gz IVPFZMMQBVQFEZ-ROUUACIJSA-N 1 3 308.510 3.575 20 0 DHADHO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C1(C)C ZINC000185261870 1037790787 /nfs/dbraw/zinc/79/07/87/1037790787.db2.gz JOGHNWZRPCVBBC-OGWHTMIXSA-N 1 3 322.537 3.821 20 0 DHADHO c1ccc(CCN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201606204 1037806110 /nfs/dbraw/zinc/80/61/10/1037806110.db2.gz OYIPNUMKDIPPFE-FGZHOGPDSA-N 1 3 320.480 3.683 20 0 DHADHO c1ccc(CCN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201606204 1037806125 /nfs/dbraw/zinc/80/61/25/1037806125.db2.gz OYIPNUMKDIPPFE-FGZHOGPDSA-N 1 3 320.480 3.683 20 0 DHADHO c1ccc(CC[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201606204 1037806142 /nfs/dbraw/zinc/80/61/42/1037806142.db2.gz OYIPNUMKDIPPFE-FGZHOGPDSA-N 1 3 320.480 3.683 20 0 DHADHO c1ccc(CC[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201606204 1037806158 /nfs/dbraw/zinc/80/61/58/1037806158.db2.gz OYIPNUMKDIPPFE-FGZHOGPDSA-N 1 3 320.480 3.683 20 0 DHADHO C[C@H](C[NH2+]C1CC(c2ccc(Cl)cc2)C1)CN1CCCC1 ZINC000062078478 1037846505 /nfs/dbraw/zinc/84/65/05/1037846505.db2.gz BUPKFWNTVNDSPA-MXWWQKGMSA-N 1 3 306.881 3.908 20 0 DHADHO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000186330634 1037888728 /nfs/dbraw/zinc/88/87/28/1037888728.db2.gz NBAWZKYTDJFAPP-QFBILLFUSA-N 1 3 317.521 3.530 20 0 DHADHO Fc1cccc(Cl)c1CCC[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993870 1037943962 /nfs/dbraw/zinc/94/39/62/1037943962.db2.gz POPLWXJXFGDYSW-ZDUSSCGKSA-N 1 3 310.844 3.676 20 0 DHADHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000125983681 1038008893 /nfs/dbraw/zinc/00/88/93/1038008893.db2.gz OYYQJCIPPATWIS-SJORKVTESA-N 1 3 304.478 3.856 20 0 DHADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H]3CCC34CCCC4)C2)cc1 ZINC000189110387 1038064339 /nfs/dbraw/zinc/06/43/39/1038064339.db2.gz WVYNWQJSJBCMJV-VQTJNVASSA-N 1 3 312.501 3.863 20 0 DHADHO CN(CCn1ccc2cc(Cl)ccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC001191174005 1038454478 /nfs/dbraw/zinc/45/44/78/1038454478.db2.gz MQUUNLRTDDDKHZ-OAHLLOKOSA-N 1 3 319.880 3.568 20 0 DHADHO CN(CCn1ccc2cc(Cl)ccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC001191174005 1038454483 /nfs/dbraw/zinc/45/44/83/1038454483.db2.gz MQUUNLRTDDDKHZ-OAHLLOKOSA-N 1 3 319.880 3.568 20 0 DHADHO C[C@H]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205604011 1038683693 /nfs/dbraw/zinc/68/36/93/1038683693.db2.gz UDOUZTQHVCPAEO-WCQYABFASA-N 1 3 318.358 3.651 20 0 DHADHO CCOc1ccc(Cl)cc1CN1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205616883 1038721408 /nfs/dbraw/zinc/72/14/08/1038721408.db2.gz HLBGVACZPXERJF-KBPBESRZSA-N 1 3 310.869 3.546 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2ccccc2-c2ccccc2)C1 ZINC000573338600 1038913233 /nfs/dbraw/zinc/91/32/33/1038913233.db2.gz SMEHOWVPGNZFDI-QZTJIDSGSA-N 1 3 310.441 3.592 20 0 DHADHO CC(C)Oc1ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000604770839 1039534356 /nfs/dbraw/zinc/53/43/56/1039534356.db2.gz NKYPLGCQOXKYJP-SFHVURJKSA-N 1 3 306.494 3.930 20 0 DHADHO CCCOc1ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000604771113 1039536289 /nfs/dbraw/zinc/53/62/89/1039536289.db2.gz XTCZYEWWIQYRGJ-GOSISDBHSA-N 1 3 306.494 3.931 20 0 DHADHO Cc1ccc(F)c(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000604891071 1039574823 /nfs/dbraw/zinc/57/48/23/1039574823.db2.gz DPTMPJOOOYHRFU-IRXDYDNUSA-N 1 3 306.469 3.982 20 0 DHADHO CCc1ccc(CCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447696 1039890629 /nfs/dbraw/zinc/89/06/29/1039890629.db2.gz OHJZHOQNRLHNBW-FQEVSTJZSA-N 1 3 300.490 3.742 20 0 DHADHO C[NH+]1CCC(C)(CNCc2ccc(CSC(F)F)o2)CC1 ZINC000227329445 1040198269 /nfs/dbraw/zinc/19/82/69/1040198269.db2.gz SOQAIUJGKKDNMS-UHFFFAOYSA-N 1 3 318.433 3.557 20 0 DHADHO OCCCCCCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000173644537 1040355459 /nfs/dbraw/zinc/35/54/59/1040355459.db2.gz NLURDQXJSMTXON-IBGZPJMESA-N 1 3 310.526 3.517 20 0 DHADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000534347210 1040815596 /nfs/dbraw/zinc/81/55/96/1040815596.db2.gz AZAACRKHXAFDRR-CRAIPNDOSA-N 1 3 304.478 3.955 20 0 DHADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000534347210 1040815605 /nfs/dbraw/zinc/81/56/05/1040815605.db2.gz AZAACRKHXAFDRR-CRAIPNDOSA-N 1 3 304.478 3.955 20 0 DHADHO Cc1cccnc1CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093257083 193220688 /nfs/dbraw/zinc/22/06/88/193220688.db2.gz BUFLPJHFJIYHFJ-UHFFFAOYSA-N 1 3 324.472 3.524 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(C)ccc1OC ZINC000093397061 193242822 /nfs/dbraw/zinc/24/28/22/193242822.db2.gz ITEXAFWVUJTAAO-MAUKXSAKSA-N 1 3 302.462 3.529 20 0 DHADHO CC[NH+](CC)CCC[C@H](C)NCc1ccc(Br)o1 ZINC000019914833 182164362 /nfs/dbraw/zinc/16/43/62/182164362.db2.gz PTIRKZHACYDLSN-LBPRGKRZSA-N 1 3 317.271 3.642 20 0 DHADHO COc1cccc2cc([C@H](C)NCC3(C)CC[NH+](C)CC3)oc21 ZINC000272624455 130047224 /nfs/dbraw/zinc/04/72/24/130047224.db2.gz YYVWCFBNAVFBFK-AWEZNQCLSA-N 1 3 316.445 3.824 20 0 DHADHO C[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C(C)(C)C ZINC000284232906 131060938 /nfs/dbraw/zinc/06/09/38/131060938.db2.gz DMYXTFAEZXUKKW-HNNXBMFYSA-N 1 3 304.478 3.684 20 0 DHADHO CN(CCc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285551560 131180425 /nfs/dbraw/zinc/18/04/25/131180425.db2.gz QUNHOGDTZRQAMM-WCRBZPEASA-N 1 3 308.469 3.939 20 0 DHADHO CN(CCc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285551560 131180426 /nfs/dbraw/zinc/18/04/26/131180426.db2.gz QUNHOGDTZRQAMM-WCRBZPEASA-N 1 3 308.469 3.939 20 0 DHADHO Clc1ccc2c(ccn2CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000287532288 131284955 /nfs/dbraw/zinc/28/49/55/131284955.db2.gz PAAMKYPTSZEBDS-IRXDYDNUSA-N 1 3 317.864 3.511 20 0 DHADHO Clc1ccc2c(ccn2CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000287532288 131284957 /nfs/dbraw/zinc/28/49/57/131284957.db2.gz PAAMKYPTSZEBDS-IRXDYDNUSA-N 1 3 317.864 3.511 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccc3c(c2)COC3)C[C@H]1c1ccccc1 ZINC000340307300 131368897 /nfs/dbraw/zinc/36/88/97/131368897.db2.gz UNQJTEFOKVTZML-SFTDATJTSA-N 1 3 322.452 3.642 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccc3c(c2)COC3)C[C@H]1c1ccccc1 ZINC000340307300 131368899 /nfs/dbraw/zinc/36/88/99/131368899.db2.gz UNQJTEFOKVTZML-SFTDATJTSA-N 1 3 322.452 3.642 20 0 DHADHO C[C@H](CNC1CC[NH+](CC2CC2)CC1)c1cc(F)cc(F)c1 ZINC000296567905 131971941 /nfs/dbraw/zinc/97/19/41/131971941.db2.gz VSXDFWUYHHHCBO-CYBMUJFWSA-N 1 3 308.416 3.532 20 0 DHADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298242649 132052125 /nfs/dbraw/zinc/05/21/25/132052125.db2.gz CMJLTNYYMDPMKE-FQEVSTJZSA-N 1 3 307.441 3.636 20 0 DHADHO Cc1ccccc1C1(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000298587603 132069472 /nfs/dbraw/zinc/06/94/72/132069472.db2.gz YFUNSSMZACSNGB-UHFFFAOYSA-N 1 3 321.468 3.680 20 0 DHADHO CSC1(C[NH2+][C@H](C)c2ccc(Cl)s2)CCN(C)CC1 ZINC000580059857 332921005 /nfs/dbraw/zinc/92/10/05/332921005.db2.gz BNGFIRILXFAYDI-LLVKDONJSA-N 1 3 318.939 3.880 20 0 DHADHO c1ccc(SCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093490655 331948059 /nfs/dbraw/zinc/94/80/59/331948059.db2.gz RKUUDFRMUZXFSM-FGTMMUONSA-N 1 3 304.503 3.679 20 0 DHADHO COc1ccccc1[C@@H](NC1CC[NH+](C)CC1)C1CCCC1 ZINC000091266423 332102656 /nfs/dbraw/zinc/10/26/56/332102656.db2.gz GGYUVERHTXWAKA-IBGZPJMESA-N 1 3 302.462 3.610 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000091959911 332116238 /nfs/dbraw/zinc/11/62/38/332116238.db2.gz DKAVZMGNKOCYHM-HUBLWGQQSA-N 1 3 311.267 3.582 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000091959911 332116239 /nfs/dbraw/zinc/11/62/39/332116239.db2.gz DKAVZMGNKOCYHM-HUBLWGQQSA-N 1 3 311.267 3.582 20 0 DHADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559399464 332256079 /nfs/dbraw/zinc/25/60/79/332256079.db2.gz FIQLZMNKAVINJQ-WMZOPIPTSA-N 1 3 322.880 3.668 20 0 DHADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559399464 332256080 /nfs/dbraw/zinc/25/60/80/332256080.db2.gz FIQLZMNKAVINJQ-WMZOPIPTSA-N 1 3 322.880 3.668 20 0 DHADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559399463 332256182 /nfs/dbraw/zinc/25/61/82/332256182.db2.gz FIQLZMNKAVINJQ-SJLPKXTDSA-N 1 3 322.880 3.668 20 0 DHADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559399463 332256183 /nfs/dbraw/zinc/25/61/83/332256183.db2.gz FIQLZMNKAVINJQ-SJLPKXTDSA-N 1 3 322.880 3.668 20 0 DHADHO CC[NH+](CC)CCO[C@H]1CCN([C@H](C)c2ccc(Cl)cc2)C1 ZINC000531104901 332263884 /nfs/dbraw/zinc/26/38/84/332263884.db2.gz RAJUBJPURLMPNG-QAPCUYQASA-N 1 3 324.896 3.834 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2ccc(C)cn2)CC1)CC(C)C ZINC000560952325 332396822 /nfs/dbraw/zinc/39/68/22/332396822.db2.gz DDVZZJJZXJIHED-UHFFFAOYSA-N 1 3 317.521 3.970 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2ccc(C)cn2)CC1)CC(C)C ZINC000560952325 332396823 /nfs/dbraw/zinc/39/68/23/332396823.db2.gz DDVZZJJZXJIHED-UHFFFAOYSA-N 1 3 317.521 3.970 20 0 DHADHO COC[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000562017548 332531953 /nfs/dbraw/zinc/53/19/53/332531953.db2.gz GSUUFIBMPJUHOE-GGPKGHCWSA-N 1 3 318.505 3.722 20 0 DHADHO C[C@H]([NH3+])c1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000178244767 333005520 /nfs/dbraw/zinc/00/55/20/333005520.db2.gz GTTGERYUYUAHIS-HNNXBMFYSA-N 1 3 323.440 3.554 20 0 DHADHO CCC[NH+]1CCC(CN[C@H](COC)c2cccc(Cl)c2)CC1 ZINC000582114933 333287843 /nfs/dbraw/zinc/28/78/43/333287843.db2.gz OTUONFJGFLPZEF-GOSISDBHSA-N 1 3 324.896 3.739 20 0 DHADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000311716886 333388075 /nfs/dbraw/zinc/38/80/75/333388075.db2.gz LGIVEGKUQACHKC-DIOULYMOSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(Br)cc32)CC[N@H+]1C ZINC000311716886 333388076 /nfs/dbraw/zinc/38/80/76/333388076.db2.gz LGIVEGKUQACHKC-DIOULYMOSA-N 1 3 323.278 3.509 20 0 DHADHO c1nc(C2CCCCC2)sc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000563135833 333395873 /nfs/dbraw/zinc/39/58/73/333395873.db2.gz UZARJIXTPAGIMP-UHFFFAOYSA-N 1 3 319.518 3.766 20 0 DHADHO C[C@@H]1C[C@@H](CN(CCC(F)(F)F)Cc2ccccc2)CC[NH2+]1 ZINC000414741712 334078566 /nfs/dbraw/zinc/07/85/66/334078566.db2.gz FOMOXNNXJFIFMO-ZBFHGGJFSA-N 1 3 314.395 3.829 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414793541 334098694 /nfs/dbraw/zinc/09/86/94/334098694.db2.gz DRMRMSGAYJMVLI-INWMFGNUSA-N 1 3 314.395 3.744 20 0 DHADHO CC(C)([NH3+])CN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801229 334101667 /nfs/dbraw/zinc/10/16/67/334101667.db2.gz IZYLBTXDFOPFTL-UONOGXRCSA-N 1 3 300.368 3.668 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccc(C(F)(F)F)cc1 ZINC000414805992 334103472 /nfs/dbraw/zinc/10/34/72/334103472.db2.gz QARZKXRNWRSAOO-IVMMDQJWSA-N 1 3 314.395 3.916 20 0 DHADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414813564 334106073 /nfs/dbraw/zinc/10/60/73/334106073.db2.gz UADMZVURHUNMHC-OAHLLOKOSA-N 1 3 319.493 3.634 20 0 DHADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414821086 334108551 /nfs/dbraw/zinc/10/85/51/334108551.db2.gz KPPRCDYTJVEHSE-GLQYFDAESA-N 1 3 300.368 3.668 20 0 DHADHO C[C@H]([NH3+])CCN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414821086 334108552 /nfs/dbraw/zinc/10/85/52/334108552.db2.gz KPPRCDYTJVEHSE-GLQYFDAESA-N 1 3 300.368 3.668 20 0 DHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821302 334108562 /nfs/dbraw/zinc/10/85/62/334108562.db2.gz AYBMBDFODMGZQB-AEZOWIDVSA-N 1 3 312.379 3.509 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000129730348 334128255 /nfs/dbraw/zinc/12/82/55/334128255.db2.gz JRGRBHRGJYDKEF-QLFBSQMISA-N 1 3 306.416 3.818 20 0 DHADHO c1ccc2cc(CNCCC[NH2+]Cc3cccnc3)ccc2c1 ZINC000414870621 334142415 /nfs/dbraw/zinc/14/24/15/334142415.db2.gz CMKCRIIGGSWJLU-UHFFFAOYSA-N 1 3 305.425 3.504 20 0 DHADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414876309 334146630 /nfs/dbraw/zinc/14/66/30/334146630.db2.gz LDCPVTCQDABGCN-BYCMXARLSA-N 1 3 300.368 3.526 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCC[C@H](N)C1)c1ccc(C(F)(F)F)cc1 ZINC000414920790 334181113 /nfs/dbraw/zinc/18/11/13/334181113.db2.gz ZGIGERYPAKOUTQ-UGFHNGPFSA-N 1 3 300.368 3.668 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414926157 334187963 /nfs/dbraw/zinc/18/79/63/334187963.db2.gz MQIGCHKCWXQXBC-WOPDTQHZSA-N 1 3 301.261 3.784 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414926157 334187964 /nfs/dbraw/zinc/18/79/64/334187964.db2.gz MQIGCHKCWXQXBC-WOPDTQHZSA-N 1 3 301.261 3.784 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)CCN1 ZINC000414927884 334190239 /nfs/dbraw/zinc/19/02/39/334190239.db2.gz AIPGOBUGOVYSSO-CJNGLKHVSA-N 1 3 314.395 3.758 20 0 DHADHO C[C@@H](CC1CCOCC1)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414931943 334195172 /nfs/dbraw/zinc/19/51/72/334195172.db2.gz CDBBDIRECLBYAI-MGPUTAFESA-N 1 3 312.457 3.634 20 0 DHADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414944352 334204172 /nfs/dbraw/zinc/20/41/72/334204172.db2.gz GURXLRHHMYJTQN-WOSRLPQWSA-N 1 3 314.395 3.757 20 0 DHADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414944352 334204173 /nfs/dbraw/zinc/20/41/73/334204173.db2.gz GURXLRHHMYJTQN-WOSRLPQWSA-N 1 3 314.395 3.757 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CCCCCOc3ccccc3)CC[C@@H]21 ZINC000187468847 334208860 /nfs/dbraw/zinc/20/88/60/334208860.db2.gz LSVVMIVIUDMGGW-ICSRJNTNSA-N 1 3 316.489 3.652 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CCCCCOc3ccccc3)CC[C@@H]21 ZINC000187468847 334208861 /nfs/dbraw/zinc/20/88/61/334208861.db2.gz LSVVMIVIUDMGGW-ICSRJNTNSA-N 1 3 316.489 3.652 20 0 DHADHO Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCN[C@H](C)C3)s2)cc1 ZINC000414959013 334211073 /nfs/dbraw/zinc/21/10/73/334211073.db2.gz WWHKZSLKTOYEPT-GDBMZVCRSA-N 1 3 300.471 3.954 20 0 DHADHO Cc1cc(N)cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000414968644 334215459 /nfs/dbraw/zinc/21/54/59/334215459.db2.gz SBRTYOIXJUFLBP-UTKZUKDTSA-N 1 3 323.484 3.720 20 0 DHADHO Cc1cc(N)cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000414968644 334215461 /nfs/dbraw/zinc/21/54/61/334215461.db2.gz SBRTYOIXJUFLBP-UTKZUKDTSA-N 1 3 323.484 3.720 20 0 DHADHO CC[C@H](N)C[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414994286 334233380 /nfs/dbraw/zinc/23/33/80/334233380.db2.gz UTMGYSINSZRITI-QBUQCISBSA-N 1 3 310.441 3.606 20 0 DHADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000415019705 334259414 /nfs/dbraw/zinc/25/94/14/334259414.db2.gz SICQWFKVCKODHT-NEPJUHHUSA-N 1 3 306.356 3.582 20 0 DHADHO [NH3+]C[C@H]1CC[C@H](CNCc2cc(C(F)(F)F)ccc2F)CC1 ZINC000415027490 334259846 /nfs/dbraw/zinc/25/98/46/334259846.db2.gz WOIDOSAIRFBHGK-HAQNSBGRSA-N 1 3 318.358 3.699 20 0 DHADHO [NH3+]CCC[C@@H](NCc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000415061604 334262303 /nfs/dbraw/zinc/26/23/03/334262303.db2.gz YUWWQUWOFNCDFD-GOSISDBHSA-N 1 3 321.424 3.510 20 0 DHADHO COc1ccccc1SC[C@H](C)CN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415080135 334269988 /nfs/dbraw/zinc/26/99/88/334269988.db2.gz LCEIOUAUAGZJTO-BZUAXINKSA-N 1 3 322.518 3.544 20 0 DHADHO C[C@@H]1C[C@H](CN[C@H](CC(F)(F)F)c2ccc(F)cc2)CC[NH2+]1 ZINC000415089730 334279606 /nfs/dbraw/zinc/27/96/06/334279606.db2.gz WQLIYMVHCJBSJO-LALPHHSUSA-N 1 3 318.358 3.797 20 0 DHADHO CC(C)C[C@H]([NH3+])CNCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000415111015 334281873 /nfs/dbraw/zinc/28/18/73/334281873.db2.gz UAJDTXYYEIGXDY-HNNXBMFYSA-N 1 3 314.395 3.700 20 0 DHADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415101834 334282505 /nfs/dbraw/zinc/28/25/05/334282505.db2.gz IIUYEFSDERAHFA-XJKCOSOUSA-N 1 3 314.395 3.929 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000514096172 334332138 /nfs/dbraw/zinc/33/21/38/334332138.db2.gz URHKFNCQTQZNCK-JEBQAFNWSA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000514096172 334332140 /nfs/dbraw/zinc/33/21/40/334332140.db2.gz URHKFNCQTQZNCK-JEBQAFNWSA-N 1 3 308.416 3.502 20 0 DHADHO CCN(CC)C[C@H]1CC[N@H+](CCCSCc2ccccc2)C1 ZINC000534869768 334342392 /nfs/dbraw/zinc/34/23/92/334342392.db2.gz SGXLKOUXWHRFNU-LJQANCHMSA-N 1 3 320.546 3.974 20 0 DHADHO CCN(CC)C[C@H]1CC[N@@H+](CCCSCc2ccccc2)C1 ZINC000534869768 334342393 /nfs/dbraw/zinc/34/23/93/334342393.db2.gz SGXLKOUXWHRFNU-LJQANCHMSA-N 1 3 320.546 3.974 20 0 DHADHO CN1CCC(Oc2ccc(C[NH2+]C3CCCCC3)cc2)CC1 ZINC000341271538 334427540 /nfs/dbraw/zinc/42/75/40/334427540.db2.gz ODDQCRXFKAUAPH-UHFFFAOYSA-N 1 3 302.462 3.582 20 0 DHADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)CN(C)C ZINC000425944018 334787845 /nfs/dbraw/zinc/78/78/45/334787845.db2.gz UYLGNVCEAPSZHA-UONOGXRCSA-N 1 3 316.411 3.814 20 0 DHADHO C[C@H](C[NH2+]C(Cc1ccccc1)Cc1ccccc1)CN(C)C ZINC000323972440 335742083 /nfs/dbraw/zinc/74/20/83/335742083.db2.gz HXHXKCQMZAALRT-GOSISDBHSA-N 1 3 310.485 3.628 20 0 DHADHO CN1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000351609482 336050057 /nfs/dbraw/zinc/05/00/57/336050057.db2.gz RURFLZFVAJFJAF-QGZVFWFLSA-N 1 3 320.452 3.543 20 0 DHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCC3(F)CC3)cc2)C1 ZINC000526974752 336277078 /nfs/dbraw/zinc/27/70/78/336277078.db2.gz AQKJJUCJQHJZFD-HZPDHXFCSA-N 1 3 304.453 3.756 20 0 DHADHO CC[NH+](CC)CCOC1CCN(C/C=C\c2ccccc2)CC1 ZINC000354045533 336456258 /nfs/dbraw/zinc/45/62/58/336456258.db2.gz VLHMGFMCRMLMLC-FLIBITNWSA-N 1 3 316.489 3.523 20 0 DHADHO Cc1cc(F)ccc1C[N@@H+](C)C1CCN(c2ccncc2)CC1 ZINC000377692486 337058539 /nfs/dbraw/zinc/05/85/39/337058539.db2.gz IUQVANFBNRTCSM-UHFFFAOYSA-N 1 3 313.420 3.630 20 0 DHADHO Cc1cc(F)ccc1C[N@H+](C)C1CCN(c2ccncc2)CC1 ZINC000377692486 337058540 /nfs/dbraw/zinc/05/85/40/337058540.db2.gz IUQVANFBNRTCSM-UHFFFAOYSA-N 1 3 313.420 3.630 20 0 DHADHO C[N@H+](Cc1ccc2occc2c1)C1CCN(c2ccncc2)CC1 ZINC000377702910 337059017 /nfs/dbraw/zinc/05/90/17/337059017.db2.gz PMEZXEJXQAFXFR-UHFFFAOYSA-N 1 3 321.424 3.929 20 0 DHADHO C[N@@H+](Cc1ccc2occc2c1)C1CCN(c2ccncc2)CC1 ZINC000377702910 337059018 /nfs/dbraw/zinc/05/90/18/337059018.db2.gz PMEZXEJXQAFXFR-UHFFFAOYSA-N 1 3 321.424 3.929 20 0 DHADHO Cc1ccsc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178036867 337159999 /nfs/dbraw/zinc/15/99/99/337159999.db2.gz NWZPCMBSFAYVDN-OAGGEKHMSA-N 1 3 310.507 3.597 20 0 DHADHO Cc1nc(C)c([C@H](C)NCCCC[NH+]2CCC(C)CC2)s1 ZINC000178106124 337162302 /nfs/dbraw/zinc/16/23/02/337162302.db2.gz ADHQPPJACDJURX-AWEZNQCLSA-N 1 3 309.523 3.923 20 0 DHADHO Fc1ccc2c(c1)OCCC[C@@H]2NCCCC[NH+]1CCCC1 ZINC000181955269 337185446 /nfs/dbraw/zinc/18/54/46/337185446.db2.gz JGTOMDVSKWSNBK-KRWDZBQOSA-N 1 3 306.425 3.505 20 0 DHADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000469853694 337195397 /nfs/dbraw/zinc/19/53/97/337195397.db2.gz KONVNAJXMVCMBZ-STQMWFEESA-N 1 3 304.434 3.723 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000583136649 337243503 /nfs/dbraw/zinc/24/35/03/337243503.db2.gz IXLSLTCLQPCJKV-DYVFJYSZSA-N 1 3 312.860 3.684 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000583136649 337243504 /nfs/dbraw/zinc/24/35/04/337243504.db2.gz IXLSLTCLQPCJKV-DYVFJYSZSA-N 1 3 312.860 3.684 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000583170610 337250952 /nfs/dbraw/zinc/25/09/52/337250952.db2.gz FONCQUWJUPCEOS-SZVBFZGTSA-N 1 3 304.453 3.563 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000583170610 337250953 /nfs/dbraw/zinc/25/09/53/337250953.db2.gz FONCQUWJUPCEOS-SZVBFZGTSA-N 1 3 304.453 3.563 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2cscc2C(F)(F)F)C1 ZINC000459773841 337282824 /nfs/dbraw/zinc/28/28/24/337282824.db2.gz IXNQZXRMIDJQDM-LLVKDONJSA-N 1 3 306.397 3.588 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2cscc2C(F)(F)F)C1 ZINC000459773841 337282825 /nfs/dbraw/zinc/28/28/25/337282825.db2.gz IXNQZXRMIDJQDM-LLVKDONJSA-N 1 3 306.397 3.588 20 0 DHADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000584665184 337379782 /nfs/dbraw/zinc/37/97/82/337379782.db2.gz CLSBDPXMWJMFFE-LSTDLKDCSA-N 1 3 302.462 3.545 20 0 DHADHO CC[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCO1 ZINC000421385149 337529731 /nfs/dbraw/zinc/52/97/31/337529731.db2.gz NHMUNMYCKNBQKP-JCHJZTRSSA-N 1 3 308.510 3.577 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422724517 337684081 /nfs/dbraw/zinc/68/40/81/337684081.db2.gz VWSUUVNUDKXBPG-HOCLYGCPSA-N 1 3 314.395 3.745 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000422801701 337687279 /nfs/dbraw/zinc/68/72/79/337687279.db2.gz AEVZKHDIEGHWTE-MGPUTAFESA-N 1 3 311.473 3.939 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000422811670 337687709 /nfs/dbraw/zinc/68/77/09/337687709.db2.gz VBIUAZIFLOGVAS-NMLBUPMWSA-N 1 3 316.489 3.570 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422816954 337688082 /nfs/dbraw/zinc/68/80/82/337688082.db2.gz BTHSPBNNMULWAI-SWLSCSKDSA-N 1 3 301.261 3.643 20 0 DHADHO COc1ccc(-c2csc(CN[C@H](C)C[C@@H](C)[NH3+])c2)cc1 ZINC000422825050 337688215 /nfs/dbraw/zinc/68/82/15/337688215.db2.gz PBDVVWWYYASXNT-CHWSQXEVSA-N 1 3 304.459 3.639 20 0 DHADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCCC1 ZINC000422891309 337690198 /nfs/dbraw/zinc/69/01/98/337690198.db2.gz VCVWJNCUXYBKEM-IPMKNSEASA-N 1 3 322.537 3.874 20 0 DHADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCCC1 ZINC000422891307 337690260 /nfs/dbraw/zinc/69/02/60/337690260.db2.gz VCVWJNCUXYBKEM-GBESFXJTSA-N 1 3 322.537 3.874 20 0 DHADHO c1ccc(SC2(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422909699 337690869 /nfs/dbraw/zinc/69/08/69/337690869.db2.gz OTQXKNMFYVWNBA-FGTMMUONSA-N 1 3 316.514 3.822 20 0 DHADHO Clc1cccc(CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422943818 337692845 /nfs/dbraw/zinc/69/28/45/337692845.db2.gz LAHHMCQGXNTRBS-KSZLIROESA-N 1 3 306.881 3.783 20 0 DHADHO COc1ccccc1Oc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422903250 337693293 /nfs/dbraw/zinc/69/32/93/337693293.db2.gz FGKBAIFOIRAYGL-HUUCEWRRSA-N 1 3 314.429 3.703 20 0 DHADHO Cc1cccc(-c2cccc(CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])c2)c1 ZINC000422903945 337693345 /nfs/dbraw/zinc/69/33/45/337693345.db2.gz GCTRBTBTRGMJPP-ZLGUVYLKSA-N 1 3 324.468 3.504 20 0 DHADHO C(=C\c1ccccc1)\CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422983551 337693695 /nfs/dbraw/zinc/69/36/95/337693695.db2.gz ZXKUKINPGWHDFY-HYHBTBHYSA-N 1 3 320.436 3.545 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000423000454 337694182 /nfs/dbraw/zinc/69/41/82/337694182.db2.gz ZGQABPQXANXDKX-GTAWCEEGSA-N 1 3 316.489 3.665 20 0 DHADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422949564 337694373 /nfs/dbraw/zinc/69/43/73/337694373.db2.gz UICNOZPGSDDEMI-FJWIDWSQSA-N 1 3 320.480 3.999 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422957293 337694896 /nfs/dbraw/zinc/69/48/96/337694896.db2.gz NCUYXMXCFSITKY-RYUDHWBXSA-N 1 3 300.368 3.800 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000423034451 337696511 /nfs/dbraw/zinc/69/65/11/337696511.db2.gz QCQJJJODQMVQAY-YJBOKZPZSA-N 1 3 307.441 3.512 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000423056223 337697503 /nfs/dbraw/zinc/69/75/03/337697503.db2.gz XRQFAXWVVDAORL-GTAWCEEGSA-N 1 3 316.489 3.807 20 0 DHADHO Cc1cc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1-c1ccccc1 ZINC000423066786 337698169 /nfs/dbraw/zinc/69/81/69/337698169.db2.gz XWGBNBGYKUMDOQ-ZLGUVYLKSA-N 1 3 324.468 3.504 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000423074357 337698302 /nfs/dbraw/zinc/69/83/02/337698302.db2.gz LITGTJRARWVUEU-GHMZBOCLSA-N 1 3 303.372 3.620 20 0 DHADHO COCC[C@H](N[C@H](C)C[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423107937 337699683 /nfs/dbraw/zinc/69/96/83/337699683.db2.gz QIROKCIKLLHBRV-RWSFTLGLSA-N 1 3 319.276 3.786 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423140136 337701327 /nfs/dbraw/zinc/70/13/27/337701327.db2.gz XLUBMWHSSGOXAM-JYJNAYRXSA-N 1 3 314.395 3.830 20 0 DHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NCC[C@H](C)[NH3+] ZINC000423222488 337705664 /nfs/dbraw/zinc/70/56/64/337705664.db2.gz BGRUBAQBVIBCTF-QWHCGFSZSA-N 1 3 303.475 3.815 20 0 DHADHO C[C@H](NC1CCC([NH3+])CC1)c1csc(-c2ccccc2)n1 ZINC000423238500 337706462 /nfs/dbraw/zinc/70/64/62/337706462.db2.gz VGEUYYFKTJYGQM-GRTSSRMGSA-N 1 3 301.459 3.731 20 0 DHADHO CCOc1ccc(Cl)cc1[C@@H](C)NCC[C@@H]1CCC[NH2+]C1 ZINC000423254988 337707757 /nfs/dbraw/zinc/70/77/57/337707757.db2.gz AHCYMXHRXQTVQH-KGLIPLIRSA-N 1 3 310.869 3.779 20 0 DHADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)s1 ZINC000423263613 337707979 /nfs/dbraw/zinc/70/79/79/337707979.db2.gz BEMZEISXKCRWQH-AXFHLTTASA-N 1 3 317.296 3.679 20 0 DHADHO COc1ccc([C@@H]2CCCC[C@@H]2NCC[C@H]2CCC[NH2+]2)cc1F ZINC000423356946 337713966 /nfs/dbraw/zinc/71/39/66/337713966.db2.gz HQEOSHPOOHVVEY-RYRKJORJSA-N 1 3 320.452 3.592 20 0 DHADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423398897 337715620 /nfs/dbraw/zinc/71/56/20/337715620.db2.gz UIWGDUVDJUZRDI-ZDUSSCGKSA-N 1 3 300.833 3.664 20 0 DHADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423384347 337717784 /nfs/dbraw/zinc/71/77/84/337717784.db2.gz KYOSAYFRGWIEDA-LSDHHAIUSA-N 1 3 310.441 3.580 20 0 DHADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423384345 337717795 /nfs/dbraw/zinc/71/77/95/337717795.db2.gz KYOSAYFRGWIEDA-GJZGRUSLSA-N 1 3 310.441 3.580 20 0 DHADHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000423482591 337722056 /nfs/dbraw/zinc/72/20/56/337722056.db2.gz YELUDBVFHAGIFY-SQWLQELKSA-N 1 3 315.486 3.978 20 0 DHADHO OCC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCCCC1 ZINC000120431663 337875216 /nfs/dbraw/zinc/87/52/16/337875216.db2.gz AJBACBDVGLVBHP-FQEVSTJZSA-N 1 3 322.537 3.704 20 0 DHADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000516117413 338005753 /nfs/dbraw/zinc/00/57/53/338005753.db2.gz CSMUYCVVGLWRQE-UXHICEINSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CC[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000516117413 338005754 /nfs/dbraw/zinc/00/57/54/338005754.db2.gz CSMUYCVVGLWRQE-UXHICEINSA-N 1 3 300.490 3.769 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)CN(C)C ZINC000425939178 338019162 /nfs/dbraw/zinc/01/91/62/338019162.db2.gz SEOCWIYMNZXRHH-MROQNXINSA-N 1 3 300.899 3.681 20 0 DHADHO Cc1nc2ccc(CN3CCC(CC[NH+](C)C)CC3)cc2s1 ZINC000426407743 338030902 /nfs/dbraw/zinc/03/09/02/338030902.db2.gz WJDDEGUVCZYMKD-UHFFFAOYSA-N 1 3 317.502 3.768 20 0 DHADHO Cc1ccc(CCC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cn1 ZINC000428270828 338045063 /nfs/dbraw/zinc/04/50/63/338045063.db2.gz WFEYTMLXEHAHRM-IEBWSBKVSA-N 1 3 315.505 3.565 20 0 DHADHO C[NH+](C)CC1CCC(NCc2nc3ccc(F)cc3s2)CC1 ZINC000428850915 338062098 /nfs/dbraw/zinc/06/20/98/338062098.db2.gz OOYFUZWRFUNRPI-UHFFFAOYSA-N 1 3 321.465 3.645 20 0 DHADHO c1ccc(OC2CCCC2)c(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430932367 338119078 /nfs/dbraw/zinc/11/90/78/338119078.db2.gz FZUDBIOUSMKUCT-UHFFFAOYSA-N 1 3 314.473 3.584 20 0 DHADHO CCN(Cc1ccc(Cl)c2cccnc12)[C@@H]1CCC[NH2+]CC1 ZINC000435625040 338243809 /nfs/dbraw/zinc/24/38/09/338243809.db2.gz GZHXEFHXZINSGH-OAHLLOKOSA-N 1 3 317.864 3.852 20 0 DHADHO C[N@H+]1CC=C(CNCc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436417319 338271988 /nfs/dbraw/zinc/27/19/88/338271988.db2.gz UHOYBFICWSYHKB-UHFFFAOYSA-N 1 3 318.770 3.710 20 0 DHADHO C[N@@H+]1CC=C(CNCc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436417319 338271989 /nfs/dbraw/zinc/27/19/89/338271989.db2.gz UHOYBFICWSYHKB-UHFFFAOYSA-N 1 3 318.770 3.710 20 0 DHADHO CC(C)(C)C1CC([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000436471455 338273412 /nfs/dbraw/zinc/27/34/12/338273412.db2.gz SMDWMYHLRXUXBR-UHFFFAOYSA-N 1 3 301.478 3.712 20 0 DHADHO C[C@@H](CC[NH2+]CCCCOc1ccccc1)N1CCCCC1 ZINC000437993821 338327682 /nfs/dbraw/zinc/32/76/82/338327682.db2.gz OIRWMRXCFQBPHH-SFHVURJKSA-N 1 3 304.478 3.700 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cc3c(cccc3F)[nH]2)C[C@@H]1C ZINC000438104718 338331849 /nfs/dbraw/zinc/33/18/49/338331849.db2.gz YIEPUTNUKSZKIR-ZFWWWQNUSA-N 1 3 303.425 3.612 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3c(cccc3F)[nH]2)C[C@@H]1C ZINC000438104718 338331850 /nfs/dbraw/zinc/33/18/50/338331850.db2.gz YIEPUTNUKSZKIR-ZFWWWQNUSA-N 1 3 303.425 3.612 20 0 DHADHO CN(C)C1(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC1 ZINC000449263595 338608044 /nfs/dbraw/zinc/60/80/44/338608044.db2.gz IZRYOOUHKSJFNF-UHFFFAOYSA-N 1 3 323.569 3.740 20 0 DHADHO CC(C)Oc1ccc2nccc(N3CCC([NH+](C)C)CC3)c2c1 ZINC000450249634 338673291 /nfs/dbraw/zinc/67/32/91/338673291.db2.gz BFOOYZYXFPSEPC-UHFFFAOYSA-N 1 3 313.445 3.552 20 0 DHADHO COc1ccc([C@H](NCC2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000194988155 338815610 /nfs/dbraw/zinc/81/56/10/338815610.db2.gz XXUSOIXRPULNNZ-OAQYLSRUSA-N 1 3 324.468 3.716 20 0 DHADHO Cc1ccccc1C(C)(C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459410546 339027775 /nfs/dbraw/zinc/02/77/75/339027775.db2.gz ZJQGFOQYZPCNOG-UHFFFAOYSA-N 1 3 323.484 3.926 20 0 DHADHO CC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459413887 339027903 /nfs/dbraw/zinc/02/79/03/339027903.db2.gz XXMWFLQBPCDRES-GOSISDBHSA-N 1 3 309.457 3.661 20 0 DHADHO C[C@@H]1CCCC[C@H]1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459418347 339028084 /nfs/dbraw/zinc/02/80/84/339028084.db2.gz VFKNCSYWXAHDJL-SJORKVTESA-N 1 3 301.478 3.856 20 0 DHADHO C[C@H]1CCCC[C@@H]1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459418342 339028088 /nfs/dbraw/zinc/02/80/88/339028088.db2.gz VFKNCSYWXAHDJL-DLBZAZTESA-N 1 3 301.478 3.856 20 0 DHADHO COC1CCC([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000459667549 339041841 /nfs/dbraw/zinc/04/18/41/339041841.db2.gz AVRGPMLQNBTXLX-YQBZFSLMSA-N 1 3 308.510 3.577 20 0 DHADHO CCC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000459779833 339048177 /nfs/dbraw/zinc/04/81/77/339048177.db2.gz UXQFDQAYVHDMFF-IBGZPJMESA-N 1 3 301.478 3.999 20 0 DHADHO CO[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C12CCC2 ZINC000459782650 339048320 /nfs/dbraw/zinc/04/83/20/339048320.db2.gz MTPNEEDCSXDCDC-DSLXNQLJSA-N 1 3 320.521 3.577 20 0 DHADHO CO[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)C12CCC2 ZINC000459782650 339048321 /nfs/dbraw/zinc/04/83/21/339048321.db2.gz MTPNEEDCSXDCDC-DSLXNQLJSA-N 1 3 320.521 3.577 20 0 DHADHO CO[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C12CCC2 ZINC000459798378 339049191 /nfs/dbraw/zinc/04/91/91/339049191.db2.gz XMMVSFJFLFPUPU-DSLXNQLJSA-N 1 3 320.521 3.577 20 0 DHADHO CO[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)C12CCC2 ZINC000459798378 339049192 /nfs/dbraw/zinc/04/91/92/339049192.db2.gz XMMVSFJFLFPUPU-DSLXNQLJSA-N 1 3 320.521 3.577 20 0 DHADHO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCCN(C)C)C1 ZINC000462774909 339088070 /nfs/dbraw/zinc/08/80/70/339088070.db2.gz PIVGASCQINFHQQ-SJLPKXTDSA-N 1 3 304.478 3.685 20 0 DHADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000462787494 339088553 /nfs/dbraw/zinc/08/85/53/339088553.db2.gz KGSDYGJVRKARLF-LJDSDSDDSA-N 1 3 322.537 3.539 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000467305965 339230697 /nfs/dbraw/zinc/23/06/97/339230697.db2.gz VXZLWGUEKOILKF-ZWKOTPCHSA-N 1 3 303.494 3.738 20 0 DHADHO Cc1ccc(-c2ccc(CN3CC[C@H]([C@@H](C)[NH3+])C3)s2)cc1 ZINC000469851845 339302606 /nfs/dbraw/zinc/30/26/06/339302606.db2.gz MOYMXJYNYNRIPE-ZBFHGGJFSA-N 1 3 300.471 3.893 20 0 DHADHO C[C@@H](CCc1ccccc1)CN1CCC([NH2+]CC2CC2)CC1 ZINC000470016240 339308630 /nfs/dbraw/zinc/30/86/30/339308630.db2.gz DPMSRCXOPULKIU-KRWDZBQOSA-N 1 3 300.490 3.719 20 0 DHADHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)c2ccccc2Cl)C1 ZINC000472265732 339368249 /nfs/dbraw/zinc/36/82/49/339368249.db2.gz YTHMALQCEQQUOH-JKSUJKDBSA-N 1 3 324.896 3.834 20 0 DHADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)C(C)(C)C)CC2)cc1 ZINC000481719644 339611085 /nfs/dbraw/zinc/61/10/85/339611085.db2.gz TVEDXVVHXACZFL-MRXNPFEDSA-N 1 3 318.505 3.931 20 0 DHADHO C[C@H]1CCC[C@H](C)N1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000482618786 339637556 /nfs/dbraw/zinc/63/75/56/339637556.db2.gz IAEZNOWCZXWVTH-ROUUACIJSA-N 1 3 321.553 3.636 20 0 DHADHO C[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)[C@H]1CC1(C)C ZINC000486972391 339740874 /nfs/dbraw/zinc/74/08/74/339740874.db2.gz PABPAHVEGZHUOL-RHSMWYFYSA-N 1 3 306.519 3.984 20 0 DHADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)c1 ZINC000488465647 339784131 /nfs/dbraw/zinc/78/41/31/339784131.db2.gz UABSENAFRZSFRC-DLBZAZTESA-N 1 3 306.519 3.758 20 0 DHADHO CCC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C1CCCCC1 ZINC000500992083 340071767 /nfs/dbraw/zinc/07/17/67/340071767.db2.gz NKZJTFYYHXLLHC-FQEVSTJZSA-N 1 3 323.569 3.741 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000502480134 340105565 /nfs/dbraw/zinc/10/55/65/340105565.db2.gz GKNWDFFQOJKZES-HCXYKTFWSA-N 1 3 310.526 3.682 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000503037983 340119387 /nfs/dbraw/zinc/11/93/87/340119387.db2.gz UPUNRLKEDOULED-TZIWHRDSSA-N 1 3 324.468 3.520 20 0 DHADHO C[NH+]1CCC(C)(CNCc2ccc(-c3ccccc3F)o2)CC1 ZINC000503937292 340137623 /nfs/dbraw/zinc/13/76/23/340137623.db2.gz QRJHUQDDIVDLFV-UHFFFAOYSA-N 1 3 316.420 3.907 20 0 DHADHO C[NH+](C)CC1CCN(Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000506852380 340202862 /nfs/dbraw/zinc/20/28/62/340202862.db2.gz VWRDPGCXQCZWJW-UHFFFAOYSA-N 1 3 316.489 3.564 20 0 DHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(OC)c1 ZINC000507132919 340208814 /nfs/dbraw/zinc/20/88/14/340208814.db2.gz XGBGWEUHIDHLQS-UHFFFAOYSA-N 1 3 312.457 3.779 20 0 DHADHO CCN(Cc1ccc(F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000507173498 340211153 /nfs/dbraw/zinc/21/11/53/340211153.db2.gz NLXLOVSXZZWLRM-UHFFFAOYSA-N 1 3 300.421 3.909 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H](C)CN1CCCC1 ZINC000510674535 340306111 /nfs/dbraw/zinc/30/61/11/340306111.db2.gz ISVPXVGXXXHBOL-LSDHHAIUSA-N 1 3 310.432 3.607 20 0 DHADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510675968 340306192 /nfs/dbraw/zinc/30/61/92/340306192.db2.gz RKRZUBQOTGMFRU-AEFFLSMTSA-N 1 3 322.468 3.635 20 0 DHADHO CN(C)CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2CCCF)c1 ZINC000510753712 340309775 /nfs/dbraw/zinc/30/97/75/340309775.db2.gz PAUJGVKSBZTBMX-MJGOQNOKSA-N 1 3 322.468 3.635 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)NC1CC([NH+]2CCCCC2)C1 ZINC000510950803 340316095 /nfs/dbraw/zinc/31/60/95/340316095.db2.gz NCLGRPRGHHJDSP-QQFBHYJXSA-N 1 3 322.443 3.892 20 0 DHADHO CC(C)Sc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000511096850 340320661 /nfs/dbraw/zinc/32/06/61/340320661.db2.gz BRIJYKULRNNWOX-UHFFFAOYSA-N 1 3 306.519 3.961 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000512082358 340347910 /nfs/dbraw/zinc/34/79/10/340347910.db2.gz IRJUCSKETZSWQF-WMHVBEDNSA-N 1 3 308.416 3.688 20 0 DHADHO COc1ccc([C@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000173422553 340364645 /nfs/dbraw/zinc/36/46/45/340364645.db2.gz WKOXRCFXRHYSTR-KSSFIOAISA-N 1 3 322.493 3.721 20 0 DHADHO Cc1cc(C)cc(OCCCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000512535650 340365872 /nfs/dbraw/zinc/36/58/72/340365872.db2.gz BPZHSTNBOJEXDB-DFNIBXOVSA-N 1 3 316.489 3.629 20 0 DHADHO Cc1cc(C)cc(OCCCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000512535650 340365873 /nfs/dbraw/zinc/36/58/73/340365873.db2.gz BPZHSTNBOJEXDB-DFNIBXOVSA-N 1 3 316.489 3.629 20 0 DHADHO CS[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512630515 340370053 /nfs/dbraw/zinc/37/00/53/340370053.db2.gz MZJWCZUYWCDCQK-NXWXRZEISA-N 1 3 318.530 3.628 20 0 DHADHO CSCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512632172 340370080 /nfs/dbraw/zinc/37/00/80/340370080.db2.gz XSIBSNZBYQHDDP-GBESFXJTSA-N 1 3 318.530 3.630 20 0 DHADHO CCC1(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000512964251 340385828 /nfs/dbraw/zinc/38/58/28/340385828.db2.gz NZMWRIGABBPWGS-IEBWSBKVSA-N 1 3 322.537 3.826 20 0 DHADHO CC(C)(C)[NH+]1CCC(NCCc2ccc3ccccc3n2)CC1 ZINC000513052711 340390959 /nfs/dbraw/zinc/39/09/59/340390959.db2.gz SNAZUPKSSFBCJK-UHFFFAOYSA-N 1 3 311.473 3.630 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CCc2ccc3ccccc3n2)CC1 ZINC000513052711 340390960 /nfs/dbraw/zinc/39/09/60/340390960.db2.gz SNAZUPKSSFBCJK-UHFFFAOYSA-N 1 3 311.473 3.630 20 0 DHADHO C[C@H](NCCO[C@H]1CCCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529036 341012388 /nfs/dbraw/zinc/01/23/88/341012388.db2.gz KUDHFVVVKKGTLT-LXZJYRNTSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H](NCCO[C@H]1CCCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529036 341012389 /nfs/dbraw/zinc/01/23/89/341012389.db2.gz KUDHFVVVKKGTLT-LXZJYRNTSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)[C@H]1CCCN(C2CCC2)C1 ZINC000542529036 341012390 /nfs/dbraw/zinc/01/23/90/341012390.db2.gz KUDHFVVVKKGTLT-LXZJYRNTSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCCCCC1 ZINC000544379538 341079131 /nfs/dbraw/zinc/07/91/31/341079131.db2.gz PCERJTWOYAJROS-FGTMMUONSA-N 1 3 310.526 3.824 20 0 DHADHO CC(C)(CC[NH+]1CCCCCC1)NCc1ccc2nc[nH]c2c1 ZINC000548156658 341250054 /nfs/dbraw/zinc/25/00/54/341250054.db2.gz MJNSMDDKYNJUGM-UHFFFAOYSA-N 1 3 314.477 3.697 20 0 DHADHO CC(C)CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000549542131 341296987 /nfs/dbraw/zinc/29/69/87/341296987.db2.gz COZOZBCTJZPHCS-SCTDSRPQSA-N 1 3 310.526 3.680 20 0 DHADHO C[C@@H]1CN(CC2CC[NH+]([C@H]3C=CCCCCC3)CC2)C[C@H](C)O1 ZINC000551063015 341330740 /nfs/dbraw/zinc/33/07/40/341330740.db2.gz HKFYVNZSHOBVNJ-NSHGMRRFSA-N 1 3 320.521 3.697 20 0 DHADHO CCC[C@H](CC)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000551814618 341352882 /nfs/dbraw/zinc/35/28/82/341352882.db2.gz ZZEOVJSUFMIAHW-KRWDZBQOSA-N 1 3 304.478 3.828 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc(OCc3ccccc3)c2)C1 ZINC000261551715 341353705 /nfs/dbraw/zinc/35/37/05/341353705.db2.gz QVZDHBSFGFVLJM-RTBURBONSA-N 1 3 310.441 3.625 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000246980426 341359536 /nfs/dbraw/zinc/35/95/36/341359536.db2.gz QUVSMOSOJLMMPC-ILXRZTDVSA-N 1 3 306.416 3.962 20 0 DHADHO CC[C@H](CN[C@H]1CC[N@H+](CC)C[C@H]1C)Oc1ccccc1Cl ZINC000247177450 341361851 /nfs/dbraw/zinc/36/18/51/341361851.db2.gz SVYXOGAKXDPXRN-INMHGKMJSA-N 1 3 324.896 3.817 20 0 DHADHO CC[C@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)Oc1ccccc1Cl ZINC000247177450 341361852 /nfs/dbraw/zinc/36/18/52/341361852.db2.gz SVYXOGAKXDPXRN-INMHGKMJSA-N 1 3 324.896 3.817 20 0 DHADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000552046619 341364790 /nfs/dbraw/zinc/36/47/90/341364790.db2.gz MOCKPKQPKKBLRJ-UFYCRDLUSA-N 1 3 300.490 3.575 20 0 DHADHO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)CCc2cccc(F)c2)C1 ZINC000248386416 341376138 /nfs/dbraw/zinc/37/61/38/341376138.db2.gz MNLQZMNNQDPVRI-AEFFLSMTSA-N 1 3 306.469 3.811 20 0 DHADHO CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)CCc2cccc(F)c2)C1 ZINC000248386416 341376139 /nfs/dbraw/zinc/37/61/39/341376139.db2.gz MNLQZMNNQDPVRI-AEFFLSMTSA-N 1 3 306.469 3.811 20 0 DHADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248386416 341376140 /nfs/dbraw/zinc/37/61/40/341376140.db2.gz MNLQZMNNQDPVRI-AEFFLSMTSA-N 1 3 306.469 3.811 20 0 DHADHO CCCN(C)C[C@@H]1CC[N@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248386416 341376141 /nfs/dbraw/zinc/37/61/41/341376141.db2.gz MNLQZMNNQDPVRI-AEFFLSMTSA-N 1 3 306.469 3.811 20 0 DHADHO CC[NH+](CC)CCCN[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000552270775 341382750 /nfs/dbraw/zinc/38/27/50/341382750.db2.gz BYEYZGMBCIOKRB-VAMGGRTRSA-N 1 3 318.505 3.659 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000552270775 341382751 /nfs/dbraw/zinc/38/27/51/341382751.db2.gz BYEYZGMBCIOKRB-VAMGGRTRSA-N 1 3 318.505 3.659 20 0 DHADHO COc1ccsc1[C@@H](C)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000248648277 341382783 /nfs/dbraw/zinc/38/27/83/341382783.db2.gz ULDCZQNGQLSUIC-HUUCEWRRSA-N 1 3 310.507 3.919 20 0 DHADHO COc1ccsc1[C@@H](C)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000248648277 341382784 /nfs/dbraw/zinc/38/27/84/341382784.db2.gz ULDCZQNGQLSUIC-HUUCEWRRSA-N 1 3 310.507 3.919 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCC3(CCCCC3)O2)[C@@H](C)C1 ZINC000248887269 341389463 /nfs/dbraw/zinc/38/94/63/341389463.db2.gz YAJYHJHOCPPNOF-KSZLIROESA-N 1 3 308.510 3.530 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CCC3(CCCCC3)O2)[C@@H](C)C1 ZINC000248887269 341389464 /nfs/dbraw/zinc/38/94/64/341389464.db2.gz YAJYHJHOCPPNOF-KSZLIROESA-N 1 3 308.510 3.530 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCSc3ccc(OC)cc32)C1 ZINC000249202677 341395302 /nfs/dbraw/zinc/39/53/02/341395302.db2.gz UHUVJRFHCLJDPQ-YOEHRIQHSA-N 1 3 320.502 3.554 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NC2(c3cccc(Br)c3)CCC2)C1 ZINC000568781957 341681568 /nfs/dbraw/zinc/68/15/68/341681568.db2.gz BUWMEZXMCDDYGD-CABCVRRESA-N 1 3 323.278 3.688 20 0 DHADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(-c2cccs2)cc1 ZINC000576544428 341851731 /nfs/dbraw/zinc/85/17/31/341851731.db2.gz AVSUYTSTABUIIM-HNNXBMFYSA-N 1 3 318.486 3.644 20 0 DHADHO c1ccc([C@H](NCc2ccc3c(c2)C[NH2+]CC3)C2CCC2)cc1 ZINC000576761200 341861984 /nfs/dbraw/zinc/86/19/84/341861984.db2.gz CKTXUWHLNUAVTN-NRFANRHFSA-N 1 3 306.453 3.963 20 0 DHADHO CCC[NH+](CCC)CCCN[C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000576784514 341863141 /nfs/dbraw/zinc/86/31/41/341863141.db2.gz LMJVNACLQZFHSI-ZWKOTPCHSA-N 1 3 320.525 3.548 20 0 DHADHO C[C@H](N)C[C@H](C)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000577395522 341907971 /nfs/dbraw/zinc/90/79/71/341907971.db2.gz MLUIEVWALKSHBF-STQMWFEESA-N 1 3 302.384 3.744 20 0 DHADHO CC1(C)C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C(C)(C)O1 ZINC000157550068 520522391 /nfs/dbraw/zinc/52/23/91/520522391.db2.gz USGDAVQOUHWYMK-QGZVFWFLSA-N 1 3 308.510 3.719 20 0 DHADHO CC1(C)C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C(C)(C)O1 ZINC000157550068 520522396 /nfs/dbraw/zinc/52/23/96/520522396.db2.gz USGDAVQOUHWYMK-QGZVFWFLSA-N 1 3 308.510 3.719 20 0 DHADHO CCOC1CC(CC[NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365051598 521644652 /nfs/dbraw/zinc/64/46/52/521644652.db2.gz GAZZORHKXKSXIX-CLPROHDKSA-N 1 3 322.537 3.824 20 0 DHADHO CCOC1CC(CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365051598 521644654 /nfs/dbraw/zinc/64/46/54/521644654.db2.gz GAZZORHKXKSXIX-CLPROHDKSA-N 1 3 322.537 3.824 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337343676 522049502 /nfs/dbraw/zinc/04/95/02/522049502.db2.gz SKSVVZVEQXXIFI-OQIJWPOYSA-N 1 3 301.478 3.570 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccccc1OC(F)F ZINC000163283489 522615558 /nfs/dbraw/zinc/61/55/58/522615558.db2.gz MLPUSLKQSBSIAD-ZFWWWQNUSA-N 1 3 312.404 3.671 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H]2CCCCc3ccccc32)CC1 ZINC000159189558 523296217 /nfs/dbraw/zinc/29/62/17/523296217.db2.gz MQFCWIYYOQIUIW-HXUWFJFHSA-N 1 3 316.489 3.545 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CNC1CC[NH+](C2CC2)CC1 ZINC000190813376 524202908 /nfs/dbraw/zinc/20/29/08/524202908.db2.gz PUKJNPWPDVRUMH-UHFFFAOYSA-N 1 3 312.379 3.730 20 0 DHADHO C[C@H]1C[C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2ccsc2S1 ZINC000130315839 524924914 /nfs/dbraw/zinc/92/49/14/524924914.db2.gz YKQFTJCDQCTQNA-ZOWXZIJZSA-N 1 3 308.516 3.747 20 0 DHADHO Cc1ccccc1[C@@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000162576119 525359408 /nfs/dbraw/zinc/35/94/08/525359408.db2.gz LWFQSHQBQIUANR-QGZVFWFLSA-N 1 3 312.457 3.786 20 0 DHADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2ccsc2S1 ZINC000336826931 525439906 /nfs/dbraw/zinc/43/99/06/525439906.db2.gz YKQFTJCDQCTQNA-JMSVASOKSA-N 1 3 308.516 3.747 20 0 DHADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cccc(Br)c1 ZINC000148028545 525605812 /nfs/dbraw/zinc/60/58/12/525605812.db2.gz XGZLPZAYPDKVJA-WHOFXGATSA-N 1 3 311.267 3.617 20 0 DHADHO C[C@@H](c1ccc(OC(F)F)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265975309 526061499 /nfs/dbraw/zinc/06/14/99/526061499.db2.gz LSLUUAUDTJBPFV-UONOGXRCSA-N 1 3 312.404 3.623 20 0 DHADHO C[C@@H](c1ccc(OC(F)F)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265975309 526061509 /nfs/dbraw/zinc/06/15/09/526061509.db2.gz LSLUUAUDTJBPFV-UONOGXRCSA-N 1 3 312.404 3.623 20 0 DHADHO Fc1ccc(CC[NH+]2CCC(NCc3cccs3)CC2)cc1 ZINC000156507436 526328370 /nfs/dbraw/zinc/32/83/70/526328370.db2.gz NIJCKVQGKXYCOT-UHFFFAOYSA-N 1 3 318.461 3.684 20 0 DHADHO Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCS2 ZINC000037649409 1013207840 /nfs/dbraw/zinc/20/78/40/1013207840.db2.gz RULDNJQMCZAOLM-LRDDRELGSA-N 1 3 322.905 3.951 20 0 DHADHO C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000076443258 1013320074 /nfs/dbraw/zinc/32/00/74/1013320074.db2.gz ZLDNVMBLOKWFDM-QUCCMNQESA-N 1 3 308.469 3.902 20 0 DHADHO C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000076443258 1013320079 /nfs/dbraw/zinc/32/00/79/1013320079.db2.gz ZLDNVMBLOKWFDM-QUCCMNQESA-N 1 3 308.469 3.902 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000076443258 1013320092 /nfs/dbraw/zinc/32/00/92/1013320092.db2.gz ZLDNVMBLOKWFDM-QUCCMNQESA-N 1 3 308.469 3.902 20 0 DHADHO CCN(C)C[C@H]1CC[N@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000579895802 1013386516 /nfs/dbraw/zinc/38/65/16/1013386516.db2.gz OXZVOIREQQJALG-OAHLLOKOSA-N 1 3 319.880 3.568 20 0 DHADHO CCN(C)C[C@H]1CC[N@@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000579895802 1013386526 /nfs/dbraw/zinc/38/65/26/1013386526.db2.gz OXZVOIREQQJALG-OAHLLOKOSA-N 1 3 319.880 3.568 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCc3c2cc(F)cc3F)c1 ZINC000120991626 1013427386 /nfs/dbraw/zinc/42/73/86/1013427386.db2.gz LCRQKXFZYFEPQN-LJQANCHMSA-N 1 3 316.395 3.804 20 0 DHADHO CO[C@@H](CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CCCC1 ZINC001167256306 1013453141 /nfs/dbraw/zinc/45/31/41/1013453141.db2.gz VWDCBDNDQDVNHE-QUCCMNQESA-N 1 3 322.537 3.636 20 0 DHADHO COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c2ccccc12 ZINC000325198315 1013680376 /nfs/dbraw/zinc/68/03/76/1013680376.db2.gz CRAZLTWMNMWONZ-YLJYHZDGSA-N 1 3 324.468 3.812 20 0 DHADHO C[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000655758649 1013693652 /nfs/dbraw/zinc/69/36/52/1013693652.db2.gz CIVWQUJNPZFRCD-RDTXWAMCSA-N 1 3 322.880 3.634 20 0 DHADHO c1coc([C@H](CNc2ccnc3ccccc32)[NH+]2CCCCC2)c1 ZINC000520308840 1013702758 /nfs/dbraw/zinc/70/27/58/1013702758.db2.gz OQLXWJXHXGAALV-IBGZPJMESA-N 1 3 321.424 3.889 20 0 DHADHO CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@H]1CCCCO1 ZINC000655849412 1013775936 /nfs/dbraw/zinc/77/59/36/1013775936.db2.gz OOCXBAUBZOBMDH-RSPOEFSDSA-N 1 3 322.537 3.967 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)[C@H]1CCCCO1 ZINC000655849412 1013775942 /nfs/dbraw/zinc/77/59/42/1013775942.db2.gz OOCXBAUBZOBMDH-RSPOEFSDSA-N 1 3 322.537 3.967 20 0 DHADHO Cc1cc(C)c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000441458316 1013899211 /nfs/dbraw/zinc/89/92/11/1013899211.db2.gz NRMHHFXSUVNFQX-IBGZPJMESA-N 1 3 300.490 3.920 20 0 DHADHO [NH3+]Cc1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000580075522 1014016054 /nfs/dbraw/zinc/01/60/54/1014016054.db2.gz GNITYYDWGNUWJO-MRXNPFEDSA-N 1 3 302.418 3.611 20 0 DHADHO c1cc2cc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2cn1 ZINC000683831842 1014055664 /nfs/dbraw/zinc/05/56/64/1014055664.db2.gz JICCOQDAZHBMTP-FPOVZHCZSA-N 1 3 321.468 3.684 20 0 DHADHO c1cc2cc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2cn1 ZINC000683831842 1014055670 /nfs/dbraw/zinc/05/56/70/1014055670.db2.gz JICCOQDAZHBMTP-FPOVZHCZSA-N 1 3 321.468 3.684 20 0 DHADHO C[N@H+](CCCNCc1cc2ccccc2[nH]1)Cc1ccccc1 ZINC000683926960 1014117878 /nfs/dbraw/zinc/11/78/78/1014117878.db2.gz CUWWDNMWCFYZBG-UHFFFAOYSA-N 1 3 307.441 3.780 20 0 DHADHO C[N@@H+](CCCNCc1cc2ccccc2[nH]1)Cc1ccccc1 ZINC000683926960 1014117880 /nfs/dbraw/zinc/11/78/80/1014117880.db2.gz CUWWDNMWCFYZBG-UHFFFAOYSA-N 1 3 307.441 3.780 20 0 DHADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000125560809 1014124284 /nfs/dbraw/zinc/12/42/84/1014124284.db2.gz ASTPOBIJNXUXNQ-AWEZNQCLSA-N 1 3 318.461 3.938 20 0 DHADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000125560809 1014124288 /nfs/dbraw/zinc/12/42/88/1014124288.db2.gz ASTPOBIJNXUXNQ-AWEZNQCLSA-N 1 3 318.461 3.938 20 0 DHADHO C[NH2+]Cc1cccc(Nc2cccc3c2OCC[C@@H]3N(C)C)c1 ZINC001211140234 1014192310 /nfs/dbraw/zinc/19/23/10/1014192310.db2.gz DSCKVJJCBHVZRC-SFHVURJKSA-N 1 3 311.429 3.535 20 0 DHADHO C[C@H]1CC([NH2+]Cc2cccn2C)C[C@H](C)N1Cc1ccccc1 ZINC001168004859 1014378164 /nfs/dbraw/zinc/37/81/64/1014378164.db2.gz ASVIFKYLESCNSZ-IRXDYDNUSA-N 1 3 311.473 3.556 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCCc2ccnc3ccccc23)c2ccccc21 ZINC000665238852 1014516012 /nfs/dbraw/zinc/51/60/12/1014516012.db2.gz FZXTWFGKBCVLJM-QUCCMNQESA-N 1 3 303.409 3.512 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCCc2ccnc3ccccc23)c2ccccc21 ZINC000665238853 1014516899 /nfs/dbraw/zinc/51/68/99/1014516899.db2.gz FZXTWFGKBCVLJM-UYAOXDASSA-N 1 3 303.409 3.512 20 0 DHADHO C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116546 1014648130 /nfs/dbraw/zinc/64/81/30/1014648130.db2.gz PJDDYLPOHOFYBJ-CJNGLKHVSA-N 1 3 307.507 3.573 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+]CCCCCOc2ccccc2)C1 ZINC000521115924 1014647844 /nfs/dbraw/zinc/64/78/44/1014647844.db2.gz BBTJDMSHMCQMPX-SFHVURJKSA-N 1 3 304.478 3.556 20 0 DHADHO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116546 1014648127 /nfs/dbraw/zinc/64/81/27/1014648127.db2.gz PJDDYLPOHOFYBJ-CJNGLKHVSA-N 1 3 307.507 3.573 20 0 DHADHO Cc1cc([C@H](C)NCC[C@@H]([NH3+])C(C)C)sc1Br ZINC000665281929 1014670271 /nfs/dbraw/zinc/67/02/71/1014670271.db2.gz MLDFZININIXSAH-WDEREUQCSA-N 1 3 319.312 3.843 20 0 DHADHO Cc1ccccc1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000581314080 1014700591 /nfs/dbraw/zinc/70/05/91/1014700591.db2.gz DDFUPWMDJBUTSG-UHFFFAOYSA-N 1 3 300.490 3.924 20 0 DHADHO Cc1ccccc1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000581314080 1014700601 /nfs/dbraw/zinc/70/06/01/1014700601.db2.gz DDFUPWMDJBUTSG-UHFFFAOYSA-N 1 3 300.490 3.924 20 0 DHADHO C[NH+](C)[C@@H]1CCCN(CCn2ccc3cc(Cl)ccc32)CC1 ZINC000581338588 1014721660 /nfs/dbraw/zinc/72/16/60/1014721660.db2.gz IWPBROCKENXXBM-QGZVFWFLSA-N 1 3 319.880 3.711 20 0 DHADHO CN(C)C1(C)CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000931353897 1032106203 /nfs/dbraw/zinc/10/62/03/1032106203.db2.gz GDCGMCFBRGCVHG-UHFFFAOYSA-N 1 3 306.416 3.771 20 0 DHADHO COc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1OC ZINC000341185744 1014970640 /nfs/dbraw/zinc/97/06/40/1014970640.db2.gz MKJHKIUGXBGYNT-JKSUJKDBSA-N 1 3 320.477 3.537 20 0 DHADHO C[NH+](C)CC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000341195035 1014983818 /nfs/dbraw/zinc/98/38/18/1014983818.db2.gz SBSOWOTXQALMCZ-UHFFFAOYSA-N 1 3 317.864 3.662 20 0 DHADHO CC[C@@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000166398831 1014984676 /nfs/dbraw/zinc/98/46/76/1014984676.db2.gz YSNQZHJUHZCYJV-XNRPHZJLSA-N 1 3 312.404 3.811 20 0 DHADHO CC[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000166398831 1014984684 /nfs/dbraw/zinc/98/46/84/1014984684.db2.gz YSNQZHJUHZCYJV-XNRPHZJLSA-N 1 3 312.404 3.811 20 0 DHADHO CC[NH+]1CCC(N[C@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000204973717 1014998965 /nfs/dbraw/zinc/99/89/65/1014998965.db2.gz PATIPMKPTOTSCW-IBGZPJMESA-N 1 3 311.473 3.928 20 0 DHADHO COCc1csc(CN(C)CCCC[NH+]2CCCCC2)c1 ZINC000895682105 1015260087 /nfs/dbraw/zinc/26/00/87/1015260087.db2.gz AMKOKMVHQURBKP-UHFFFAOYSA-N 1 3 310.507 3.592 20 0 DHADHO C[C@H](CN1CCCC12CC[NH+](C)CC2)c1cc(F)cc(F)c1 ZINC000449266254 1015387252 /nfs/dbraw/zinc/38/72/52/1015387252.db2.gz UNRUKPCOAPEGCS-CQSZACIVSA-N 1 3 308.416 3.629 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2scnc2C)CC1 ZINC000341532518 1015462366 /nfs/dbraw/zinc/46/23/66/1015462366.db2.gz BSGWPZVAYBFNMH-UHFFFAOYSA-N 1 3 309.523 3.786 20 0 DHADHO Cc1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000294707659 1032123519 /nfs/dbraw/zinc/12/35/19/1032123519.db2.gz HEKMYMBQBTYGGH-UHFFFAOYSA-N 1 3 300.471 3.942 20 0 DHADHO CCc1oc2ccccc2c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000535806192 1015835985 /nfs/dbraw/zinc/83/59/85/1015835985.db2.gz KARCCYWQJOKWRL-YJBOKZPZSA-N 1 3 312.457 3.911 20 0 DHADHO CCc1oc2ccccc2c1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000535806192 1015835994 /nfs/dbraw/zinc/83/59/94/1015835994.db2.gz KARCCYWQJOKWRL-YJBOKZPZSA-N 1 3 312.457 3.911 20 0 DHADHO CCc1oc2ccccc2c1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000535806192 1015835997 /nfs/dbraw/zinc/83/59/97/1015835997.db2.gz KARCCYWQJOKWRL-YJBOKZPZSA-N 1 3 312.457 3.911 20 0 DHADHO CCc1oc2ccccc2c1C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000535806192 1015835999 /nfs/dbraw/zinc/83/59/99/1015835999.db2.gz KARCCYWQJOKWRL-YJBOKZPZSA-N 1 3 312.457 3.911 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+]Cc1cc2ccncc2s1 ZINC000657292666 1016210933 /nfs/dbraw/zinc/21/09/33/1016210933.db2.gz CDQMZPUBSVNVMC-CQSZACIVSA-N 1 3 303.475 3.650 20 0 DHADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1ccc([Si](C)(C)C)cc1 ZINC001167510554 1016257089 /nfs/dbraw/zinc/25/70/89/1016257089.db2.gz XJSGSPGZYHCHJW-GOSISDBHSA-N 1 3 318.581 3.538 20 0 DHADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1ccc([Si](C)(C)C)cc1 ZINC001167510554 1016257099 /nfs/dbraw/zinc/25/70/99/1016257099.db2.gz XJSGSPGZYHCHJW-GOSISDBHSA-N 1 3 318.581 3.538 20 0 DHADHO C[NH+](C)CC(C)(C)CN1CCC(Cc2ccccc2F)CC1 ZINC001207282474 1016510333 /nfs/dbraw/zinc/51/03/33/1016510333.db2.gz KIKUFZJXTPMMIX-UHFFFAOYSA-N 1 3 306.469 3.668 20 0 DHADHO CCn1c2ccccc2c2cc(CN3CC[C@H](C[NH3+])C3)ccc21 ZINC000347035903 1016691514 /nfs/dbraw/zinc/69/15/14/1016691514.db2.gz DRHOTQRSVDWGQI-MRXNPFEDSA-N 1 3 307.441 3.595 20 0 DHADHO CCC[N@H+](Cc1cc(Cl)cc2cccnc21)C1CCNCC1 ZINC000347021788 1016696536 /nfs/dbraw/zinc/69/65/36/1016696536.db2.gz NPNCZKGIOYIEJY-UHFFFAOYSA-N 1 3 317.864 3.852 20 0 DHADHO CCC[N@@H+](Cc1cc(Cl)cc2cccnc21)C1CCNCC1 ZINC000347021788 1016696542 /nfs/dbraw/zinc/69/65/42/1016696542.db2.gz NPNCZKGIOYIEJY-UHFFFAOYSA-N 1 3 317.864 3.852 20 0 DHADHO CCCN(Cc1cc(Cl)cc2cccnc21)C1CC[NH2+]CC1 ZINC000347021788 1016696547 /nfs/dbraw/zinc/69/65/47/1016696547.db2.gz NPNCZKGIOYIEJY-UHFFFAOYSA-N 1 3 317.864 3.852 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623337678 1016965396 /nfs/dbraw/zinc/96/53/96/1016965396.db2.gz TVOICSOESDWHPT-AWEZNQCLSA-N 1 3 300.368 3.668 20 0 DHADHO CC(C)c1ccc(CC[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000475118727 1016975140 /nfs/dbraw/zinc/97/51/40/1016975140.db2.gz KNFKZXNIWYUXER-UHFFFAOYSA-N 1 3 300.490 3.913 20 0 DHADHO CC(C)c1ccc(CC[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000475118727 1016975145 /nfs/dbraw/zinc/97/51/45/1016975145.db2.gz KNFKZXNIWYUXER-UHFFFAOYSA-N 1 3 300.490 3.913 20 0 DHADHO COc1ccc([C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623344690 1016976810 /nfs/dbraw/zinc/97/68/10/1016976810.db2.gz ZIVHMVPCGLRFJM-WMZOPIPTSA-N 1 3 302.462 3.609 20 0 DHADHO COc1ccc([C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623344690 1016976812 /nfs/dbraw/zinc/97/68/12/1016976812.db2.gz ZIVHMVPCGLRFJM-WMZOPIPTSA-N 1 3 302.462 3.609 20 0 DHADHO CN1CC[C@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC1(C)C ZINC000623374678 1017006716 /nfs/dbraw/zinc/00/67/16/1017006716.db2.gz KXUAJXYRSUZBHW-SWLSCSKDSA-N 1 3 308.853 3.626 20 0 DHADHO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)CCC2 ZINC000361965495 1032176117 /nfs/dbraw/zinc/17/61/17/1032176117.db2.gz DHSFJFBZMPAIRM-FRQCXROJSA-N 1 3 302.462 3.535 20 0 DHADHO OCC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCCCC1 ZINC000120431585 1032371536 /nfs/dbraw/zinc/37/15/36/1032371536.db2.gz AJBACBDVGLVBHP-HXUWFJFHSA-N 1 3 322.537 3.704 20 0 DHADHO CN(Cc1cnc(C2CCCCC2)s1)CC1CC[NH+](C)CC1 ZINC000537636425 1032445307 /nfs/dbraw/zinc/44/53/07/1032445307.db2.gz QMVPXMCUUXPYQH-UHFFFAOYSA-N 1 3 321.534 3.964 20 0 DHADHO NCCC[N@H+](C1CCCCC1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171338632 1032445718 /nfs/dbraw/zinc/44/57/18/1032445718.db2.gz WVGNHQHFSKKAKS-QGZVFWFLSA-N 1 3 322.443 3.806 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171338632 1032445723 /nfs/dbraw/zinc/44/57/23/1032445723.db2.gz WVGNHQHFSKKAKS-QGZVFWFLSA-N 1 3 322.443 3.806 20 0 DHADHO C[C@@H]1C[C@@H](N(C)Cc2cccc(-c3ccncc3)c2)CC[N@@H+]1C ZINC000093644473 1032549890 /nfs/dbraw/zinc/54/98/90/1032549890.db2.gz CVSKPHIHFQPKLU-UZLBHIALSA-N 1 3 309.457 3.663 20 0 DHADHO C[C@@H]1C[C@@H](N(C)Cc2cccc(-c3ccncc3)c2)CC[N@H+]1C ZINC000093644473 1032549893 /nfs/dbraw/zinc/54/98/93/1032549893.db2.gz CVSKPHIHFQPKLU-UZLBHIALSA-N 1 3 309.457 3.663 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccn2C)CC1 ZINC000093844603 1032561135 /nfs/dbraw/zinc/56/11/35/1032561135.db2.gz FMWJOJSGQDNTMJ-KRWDZBQOSA-N 1 3 303.494 3.502 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cccn2C)CC1 ZINC000093844603 1032561137 /nfs/dbraw/zinc/56/11/37/1032561137.db2.gz FMWJOJSGQDNTMJ-KRWDZBQOSA-N 1 3 303.494 3.502 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424368374 1012014677 /nfs/dbraw/zinc/01/46/77/1012014677.db2.gz PTBXEUIQRFBHKD-VCTAVGKDSA-N 1 3 301.261 3.784 20 0 DHADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CC=CCC3)CC2)C[C@H](C)O1 ZINC000537658122 1032608496 /nfs/dbraw/zinc/60/84/96/1032608496.db2.gz ARBMLBUCSKKTIY-WSTZPKSXSA-N 1 3 320.521 3.554 20 0 DHADHO CCC(CC)N1CCC([NH2+][C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171411409 1032613535 /nfs/dbraw/zinc/61/35/35/1032613535.db2.gz ISURFZBPDXAUFF-KRWDZBQOSA-N 1 3 318.480 3.926 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(C(F)(F)F)cc1 ZINC000515417509 1012622583 /nfs/dbraw/zinc/62/25/83/1012622583.db2.gz WURYOGZKIIGNRP-SWLSCSKDSA-N 1 3 300.368 3.840 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc(COCc3ccccc3)c2)C1 ZINC000516877773 1012853975 /nfs/dbraw/zinc/85/39/75/1012853975.db2.gz LZNDKGGKMJUWMF-NHCUHLMSSA-N 1 3 324.468 3.763 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)c2ccccc12 ZINC000425939861 1012981320 /nfs/dbraw/zinc/98/13/20/1012981320.db2.gz FALVZNGQNMMKBZ-LSDHHAIUSA-N 1 3 300.446 3.697 20 0 DHADHO COc1ccc([C@@H](C)NC[C@H](C)C[NH+](C)C)c2ccccc12 ZINC000425939861 1012981329 /nfs/dbraw/zinc/98/13/29/1012981329.db2.gz FALVZNGQNMMKBZ-LSDHHAIUSA-N 1 3 300.446 3.697 20 0 DHADHO C[C@@H]1C[C@@H](N(C)[C@H]2CCCOC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063584 1017195361 /nfs/dbraw/zinc/19/53/61/1017195361.db2.gz CTRQEXMTAGDSBY-HNJRGHQBSA-N 1 3 316.489 3.539 20 0 DHADHO C[C@@H]1C[C@@H](N(C)[C@H]2CCCOC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063584 1017195365 /nfs/dbraw/zinc/19/53/65/1017195365.db2.gz CTRQEXMTAGDSBY-HNJRGHQBSA-N 1 3 316.489 3.539 20 0 DHADHO CC[C@H](CSC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716684815 1032702757 /nfs/dbraw/zinc/70/27/57/1032702757.db2.gz VVWAIGTVHNHQRK-RDGPPVDQSA-N 1 3 318.530 3.771 20 0 DHADHO COCC[N@H+](CCCN1CCCCC1)[C@H](C)c1ccccc1 ZINC000444584814 1017583436 /nfs/dbraw/zinc/58/34/36/1017583436.db2.gz VSKUYILQZHMFQG-GOSISDBHSA-N 1 3 304.478 3.572 20 0 DHADHO COCC[N@@H+](CCCN1CCCCC1)[C@H](C)c1ccccc1 ZINC000444584814 1017583449 /nfs/dbraw/zinc/58/34/49/1017583449.db2.gz VSKUYILQZHMFQG-GOSISDBHSA-N 1 3 304.478 3.572 20 0 DHADHO Cc1ccc(C(C)(C)C[NH2+]C2CCN(C(C)(C)C)CC2)nc1 ZINC000624112953 1017688864 /nfs/dbraw/zinc/68/88/64/1017688864.db2.gz QQEVVUQTDSIAKB-UHFFFAOYSA-N 1 3 303.494 3.520 20 0 DHADHO Cc1ccc(C(C)(C)CNC2CC[NH+](C(C)(C)C)CC2)nc1 ZINC000624112953 1017688866 /nfs/dbraw/zinc/68/88/66/1017688866.db2.gz QQEVVUQTDSIAKB-UHFFFAOYSA-N 1 3 303.494 3.520 20 0 DHADHO CCCCN1CCC([NH2+]Cc2ccc(OC(C)C)cc2)CC1 ZINC000125142147 1032716710 /nfs/dbraw/zinc/71/67/10/1032716710.db2.gz BUOYVGZAMVOMNA-UHFFFAOYSA-N 1 3 304.478 3.828 20 0 DHADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624119838 1017693634 /nfs/dbraw/zinc/69/36/34/1017693634.db2.gz KSBCMGNVRQPEKQ-SJORKVTESA-N 1 3 304.478 3.856 20 0 DHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624123710 1017694318 /nfs/dbraw/zinc/69/43/18/1017694318.db2.gz RIQNIYODWGXEAX-LNKGRISISA-N 1 3 316.489 3.509 20 0 DHADHO COc1ccc([C@H]([NH2+]C[C@H]2CCCCN(C)C2)C(C)C)cc1 ZINC000624122714 1017695463 /nfs/dbraw/zinc/69/54/63/1017695463.db2.gz ZKAXYJLGMCPRKX-VQIMIIECSA-N 1 3 304.478 3.714 20 0 DHADHO COc1ccc([C@H](NC[C@H]2CCCC[N@H+](C)C2)C(C)C)cc1 ZINC000624122714 1017695466 /nfs/dbraw/zinc/69/54/66/1017695466.db2.gz ZKAXYJLGMCPRKX-VQIMIIECSA-N 1 3 304.478 3.714 20 0 DHADHO COc1ccc([C@H](NC[C@H]2CCCC[N@@H+](C)C2)C(C)C)cc1 ZINC000624122714 1017695471 /nfs/dbraw/zinc/69/54/71/1017695471.db2.gz ZKAXYJLGMCPRKX-VQIMIIECSA-N 1 3 304.478 3.714 20 0 DHADHO C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000624123488 1017697109 /nfs/dbraw/zinc/69/71/09/1017697109.db2.gz MZFDEAQLUNZVBT-ZIAGYGMSSA-N 1 3 303.475 3.679 20 0 DHADHO C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cc2ccncc2s1 ZINC000624123488 1017697120 /nfs/dbraw/zinc/69/71/20/1017697120.db2.gz MZFDEAQLUNZVBT-ZIAGYGMSSA-N 1 3 303.475 3.679 20 0 DHADHO C/C(=C\c1ccccc1)C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000237667136 1017713359 /nfs/dbraw/zinc/71/33/59/1017713359.db2.gz UORHHANKWSGQFX-VPVZTASZSA-N 1 3 316.489 3.569 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](NCc2c(C)cccc2C)[C@H](C)C1 ZINC000181382098 1017745063 /nfs/dbraw/zinc/74/50/63/1017745063.db2.gz PMNJIJTVMPBLEY-QUCCMNQESA-N 1 3 318.505 3.530 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](NCc2c(C)cccc2C)[C@H](C)C1 ZINC000181382098 1017745077 /nfs/dbraw/zinc/74/50/77/1017745077.db2.gz PMNJIJTVMPBLEY-QUCCMNQESA-N 1 3 318.505 3.530 20 0 DHADHO CC(C)Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC001167646997 1017940048 /nfs/dbraw/zinc/94/00/48/1017940048.db2.gz JLBSEVNVAKHHTP-PMACEKPBSA-N 1 3 300.490 3.801 20 0 DHADHO CC(C)Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC001167646997 1017940068 /nfs/dbraw/zinc/94/00/68/1017940068.db2.gz JLBSEVNVAKHHTP-PMACEKPBSA-N 1 3 300.490 3.801 20 0 DHADHO C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000122842716 1018024584 /nfs/dbraw/zinc/02/45/84/1018024584.db2.gz SSGJRHKZQNUFCS-MRXNPFEDSA-N 1 3 316.489 3.710 20 0 DHADHO CC1CC[NH+](Cc2ccc(CNCc3ccn(C)c3)cc2)CC1 ZINC000123039998 1018036782 /nfs/dbraw/zinc/03/67/82/1018036782.db2.gz LGSTZIVQKZUHFL-UHFFFAOYSA-N 1 3 311.473 3.547 20 0 DHADHO Clc1ccc(Cl)c(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000446887358 1018288838 /nfs/dbraw/zinc/28/88/38/1018288838.db2.gz RNGYLQIMLBMFJG-UHFFFAOYSA-N 1 3 313.272 3.957 20 0 DHADHO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000282524442 1018367042 /nfs/dbraw/zinc/36/70/42/1018367042.db2.gz ZXDSOJCCQRNFLX-MRXNPFEDSA-N 1 3 323.484 3.632 20 0 DHADHO CCN(CCC[NH+](C)C)[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172873214 1033445900 /nfs/dbraw/zinc/44/59/00/1033445900.db2.gz ROWIXRNIRQCYEV-ZDUSSCGKSA-N 1 3 300.849 3.684 20 0 DHADHO c1cc2cccc(CNC[C@H]3CC[N@H+](Cc4ccccc4)C3)c2[nH]1 ZINC000383427446 1018402398 /nfs/dbraw/zinc/40/23/98/1018402398.db2.gz CMZMUNXTLGPEEZ-GOSISDBHSA-N 1 3 319.452 3.780 20 0 DHADHO c1cc2cccc(CNC[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2[nH]1 ZINC000383427446 1018402403 /nfs/dbraw/zinc/40/24/03/1018402403.db2.gz CMZMUNXTLGPEEZ-GOSISDBHSA-N 1 3 319.452 3.780 20 0 DHADHO CC[C@@H](CN[C@@H](CC)c1ccc2c(c1)CCO2)[NH+]1CCCC1 ZINC000764871814 1018412425 /nfs/dbraw/zinc/41/24/25/1018412425.db2.gz ZBYMVQBDSUNLQI-ROUUACIJSA-N 1 3 302.462 3.537 20 0 DHADHO Fc1ccc2c(c1)[C@H](NCc1cccc3c1CC[NH2+]C3)CCC2 ZINC000635006542 1018509488 /nfs/dbraw/zinc/50/94/88/1018509488.db2.gz CCSXQRNUKAELMU-HXUWFJFHSA-N 1 3 310.416 3.639 20 0 DHADHO CCSc1cccc(CNCc2ccccc2C[NH2+]C)c1 ZINC000650720181 1018570666 /nfs/dbraw/zinc/57/06/66/1018570666.db2.gz HLJGBNPAYIJCDJ-UHFFFAOYSA-N 1 3 300.471 3.808 20 0 DHADHO Cc1cccc2c1CC[C@H](N1CCC([NH3+])(c3ccccc3)CC1)C2 ZINC001171559319 1032780196 /nfs/dbraw/zinc/78/01/96/1032780196.db2.gz ZYHSGBQZXBPKKI-FQEVSTJZSA-N 1 3 320.480 3.802 20 0 DHADHO [NH3+]CC1CCN(Cc2sccc2Oc2ccccc2)CC1 ZINC001205040166 1018814117 /nfs/dbraw/zinc/81/41/17/1018814117.db2.gz BMIKDXMHELSRMF-UHFFFAOYSA-N 1 3 302.443 3.711 20 0 DHADHO C[NH+]1C(C)(C)CC(N2CCC[C@H]2c2cccnc2)CC1(C)C ZINC001171628730 1032793611 /nfs/dbraw/zinc/79/36/11/1032793611.db2.gz IHAZOBHLPVVDNY-KRWDZBQOSA-N 1 3 301.478 3.870 20 0 DHADHO Cc1cccnc1C(C)(C)CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171630265 1032794199 /nfs/dbraw/zinc/79/41/99/1032794199.db2.gz KEHBEVWWABYAHO-UHFFFAOYSA-N 1 3 317.521 3.909 20 0 DHADHO CC(C)CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000584080625 1018930872 /nfs/dbraw/zinc/93/08/72/1018930872.db2.gz KUTYOYQDHNVAHL-XLIONFOSSA-N 1 3 318.505 3.884 20 0 DHADHO CC(C)CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000584080625 1018930884 /nfs/dbraw/zinc/93/08/84/1018930884.db2.gz KUTYOYQDHNVAHL-XLIONFOSSA-N 1 3 318.505 3.884 20 0 DHADHO CCOc1ccc(CC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171619320 1032803993 /nfs/dbraw/zinc/80/39/93/1032803993.db2.gz JXMPIKQLRVZFNW-UHFFFAOYSA-N 1 3 318.505 3.869 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@@H](c2ccncc2)C2CC2)CC1(C)C ZINC001171624836 1032807082 /nfs/dbraw/zinc/80/70/82/1032807082.db2.gz ZIVBRSFWUQIOFA-QGZVFWFLSA-N 1 3 301.478 3.774 20 0 DHADHO Cc1ccc(CCC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cn1 ZINC001171623235 1032807131 /nfs/dbraw/zinc/80/71/31/1032807131.db2.gz PTUPPFKAXZZTGC-UHFFFAOYSA-N 1 3 303.494 3.564 20 0 DHADHO Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666995306 1032807237 /nfs/dbraw/zinc/80/72/37/1032807237.db2.gz JXSVJMBSFHPUIA-FGTMMUONSA-N 1 3 302.437 3.726 20 0 DHADHO Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666995307 1032808305 /nfs/dbraw/zinc/80/83/05/1032808305.db2.gz JXSVJMBSFHPUIA-OKZBNKHCSA-N 1 3 302.437 3.726 20 0 DHADHO CN1C(C)(C)CC([NH2+]C[C@@H]2CCc3ccccc32)CC1(C)C ZINC001171627548 1032809903 /nfs/dbraw/zinc/80/99/03/1032809903.db2.gz WEGQZNCTKVOGMX-INIZCTEOSA-N 1 3 300.490 3.957 20 0 DHADHO [NH3+][C@H]1CCN(C2CCC(c3ccc(Br)cc3)CC2)C1 ZINC001171644980 1032811957 /nfs/dbraw/zinc/81/19/57/1032811957.db2.gz WWUCOJSXXUDXDN-SIWZUTFBSA-N 1 3 323.278 3.508 20 0 DHADHO [NH3+]CC[C@H]1CCN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000923481507 1019232274 /nfs/dbraw/zinc/23/22/74/1019232274.db2.gz QTQKQLUBIHGJLP-LBPRGKRZSA-N 1 3 321.877 3.634 20 0 DHADHO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1cc2ccncc2s1 ZINC000657856777 1019282810 /nfs/dbraw/zinc/28/28/10/1019282810.db2.gz QERBIFOMNONHEG-ZDUSSCGKSA-N 1 3 315.486 3.964 20 0 DHADHO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1cc2ccncc2s1 ZINC000657856776 1019283484 /nfs/dbraw/zinc/28/34/84/1019283484.db2.gz QERBIFOMNONHEG-CYBMUJFWSA-N 1 3 315.486 3.964 20 0 DHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657857013 1019318389 /nfs/dbraw/zinc/31/83/89/1019318389.db2.gz AVGIQFBDCSOTKL-ZDUSSCGKSA-N 1 3 311.420 3.934 20 0 DHADHO O[C@H]1CCCC[C@@H]1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090545483 1019408277 /nfs/dbraw/zinc/40/82/77/1019408277.db2.gz BJIFTCMWNIDJMQ-XLIONFOSSA-N 1 3 322.537 3.704 20 0 DHADHO C[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(F)cn1 ZINC000090775365 1019416375 /nfs/dbraw/zinc/41/63/75/1019416375.db2.gz ZGZHAFSSDNGVFC-ZLPCBKJTSA-N 1 3 319.468 3.914 20 0 DHADHO CN1C(C)(C)CC([NH+]2CCC(c3cccnc3)CC2)CC1(C)C ZINC001171641406 1032837570 /nfs/dbraw/zinc/83/75/70/1032837570.db2.gz GKIKVEAEZWCYCH-UHFFFAOYSA-N 1 3 315.505 3.912 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000163301832 1019570893 /nfs/dbraw/zinc/57/08/93/1019570893.db2.gz GEAOQMOTPMRRMQ-SWLSCSKDSA-N 1 3 310.894 3.808 20 0 DHADHO CCCC[N@H+](C)CC1CCN([C@@H](C)c2cnc(C)nc2C)CC1 ZINC000681662810 1019587335 /nfs/dbraw/zinc/58/73/35/1019587335.db2.gz JKGOVKKZKNGIPX-INIZCTEOSA-N 1 3 318.509 3.598 20 0 DHADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)c2cnc(C)nc2C)CC1 ZINC000681662810 1019587347 /nfs/dbraw/zinc/58/73/47/1019587347.db2.gz JKGOVKKZKNGIPX-INIZCTEOSA-N 1 3 318.509 3.598 20 0 DHADHO Clc1cccc2c1C[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001168705047 1019626735 /nfs/dbraw/zinc/62/67/35/1019626735.db2.gz QQRSVWKUWPHTGB-INIZCTEOSA-N 1 3 318.892 3.804 20 0 DHADHO Clc1cccc2c1C[C@@H](NC1CC[NH+](C3CCCC3)CC1)C2 ZINC001168705047 1019626743 /nfs/dbraw/zinc/62/67/43/1019626743.db2.gz QQRSVWKUWPHTGB-INIZCTEOSA-N 1 3 318.892 3.804 20 0 DHADHO C[C@H](c1cccnc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079879882 1019783281 /nfs/dbraw/zinc/78/32/81/1019783281.db2.gz CZJDDLHGPKJSMB-QGZVFWFLSA-N 1 3 301.478 3.731 20 0 DHADHO CCN1CC[C@H](C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000685421361 1019806128 /nfs/dbraw/zinc/80/61/28/1019806128.db2.gz VPQAZQPPUMLNGZ-UONOGXRCSA-N 1 3 314.395 3.740 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000685455246 1019838271 /nfs/dbraw/zinc/83/82/71/1019838271.db2.gz UJEFLWPWJJYJRU-AQNXPRMDSA-N 1 3 300.490 3.718 20 0 DHADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1cc2cnccc2o1 ZINC000657974608 1020057771 /nfs/dbraw/zinc/05/77/71/1020057771.db2.gz RAEKWXXUAQQDGG-AWEZNQCLSA-N 1 3 301.434 3.600 20 0 DHADHO C[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1)CN(C)C ZINC000309746067 1020063801 /nfs/dbraw/zinc/06/38/01/1020063801.db2.gz XQZXBPXZLJXYNI-KRWDZBQOSA-N 1 3 312.457 3.553 20 0 DHADHO Cc1ccncc1CCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000658127795 1020174850 /nfs/dbraw/zinc/17/48/50/1020174850.db2.gz WVXIXEBCOPVBOX-PXNSSMCTSA-N 1 3 315.505 3.565 20 0 DHADHO Cc1ccncc1CCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000658126243 1020176001 /nfs/dbraw/zinc/17/60/01/1020176001.db2.gz LMMYHOFQQTUFMQ-UZLBHIALSA-N 1 3 315.505 3.565 20 0 DHADHO CC(C)CC[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165449 1020199609 /nfs/dbraw/zinc/19/96/09/1020199609.db2.gz FKSDDOUALRYMBQ-KRWDZBQOSA-N 1 3 303.494 3.708 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCOC(C)(C)C)CC1 ZINC000658184009 1020214822 /nfs/dbraw/zinc/21/48/22/1020214822.db2.gz HAIUSXVXPPTFIZ-AEFFLSMTSA-N 1 3 310.526 3.824 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000658280992 1020274178 /nfs/dbraw/zinc/27/41/78/1020274178.db2.gz NMNXJMWTSHMEGS-BHYGNILZSA-N 1 3 322.443 3.778 20 0 DHADHO COCc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340171042 1020368862 /nfs/dbraw/zinc/36/88/62/1020368862.db2.gz FMQNEMAHEZYDOR-RTWAWAEBSA-N 1 3 324.468 3.758 20 0 DHADHO COCc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340171042 1020368873 /nfs/dbraw/zinc/36/88/73/1020368873.db2.gz FMQNEMAHEZYDOR-RTWAWAEBSA-N 1 3 324.468 3.758 20 0 DHADHO C[C@H](N)c1nccn1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967299 1032936086 /nfs/dbraw/zinc/93/60/86/1032936086.db2.gz YYRBHWQWHOCQIN-DOTOQJQBSA-N 1 3 312.461 3.519 20 0 DHADHO C[C@H](N)c1nccn1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967299 1032936099 /nfs/dbraw/zinc/93/60/99/1032936099.db2.gz YYRBHWQWHOCQIN-DOTOQJQBSA-N 1 3 312.461 3.519 20 0 DHADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)OCC1CC1 ZINC000414267586 1021042456 /nfs/dbraw/zinc/04/24/56/1021042456.db2.gz NBFFEJRDDQMWGN-UHFFFAOYSA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)OCC1CC1 ZINC000414267586 1021042462 /nfs/dbraw/zinc/04/24/62/1021042462.db2.gz NBFFEJRDDQMWGN-UHFFFAOYSA-N 1 3 308.510 3.578 20 0 DHADHO COCC1CCC([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000414315698 1021086633 /nfs/dbraw/zinc/08/66/33/1021086633.db2.gz SIQPOIXSRURHCR-CKVGWXAMSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H](N[C@@H]1C[C@H]1c1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414341594 1021110525 /nfs/dbraw/zinc/11/05/25/1021110525.db2.gz IAXFCVORCCIREE-JCHJZTRSSA-N 1 3 310.441 3.636 20 0 DHADHO C[C@H](N[C@@H]1C[C@H]1c1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414341594 1021110530 /nfs/dbraw/zinc/11/05/30/1021110530.db2.gz IAXFCVORCCIREE-JCHJZTRSSA-N 1 3 310.441 3.636 20 0 DHADHO CC1([NH3+])CCN(CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000647530895 1021124467 /nfs/dbraw/zinc/12/44/67/1021124467.db2.gz NQDYJIGYOYMMGE-UHFFFAOYSA-N 1 3 314.395 3.841 20 0 DHADHO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000537964265 1032956258 /nfs/dbraw/zinc/95/62/58/1032956258.db2.gz KZTMVMMDAMHWEH-KDOFPFPSSA-N 1 3 322.468 3.754 20 0 DHADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(SCC(F)F)cc1 ZINC000423388212 1021193724 /nfs/dbraw/zinc/19/37/24/1021193724.db2.gz NHKHLUZRHKUXAL-UBHSHLNASA-N 1 3 314.445 3.964 20 0 DHADHO CC[NH+]1CCC(CC2CCN(CCC(F)(F)F)CC2)CC1 ZINC001202356206 1021224434 /nfs/dbraw/zinc/22/44/34/1021224434.db2.gz PTKYVGAIZBHVCT-UHFFFAOYSA-N 1 3 306.416 3.773 20 0 DHADHO CCCN1CC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000892668582 1021249102 /nfs/dbraw/zinc/24/91/02/1021249102.db2.gz OEFQBMTYWKDKIP-HLIUYOAVSA-N 1 3 308.416 3.532 20 0 DHADHO C[C@@H]1C[C@@H](N[C@H]2CCc3cc(Br)ccc32)CC[N@@H+]1C ZINC000252184164 1021276800 /nfs/dbraw/zinc/27/68/00/1021276800.db2.gz UBGDZCJEMMWINT-WPGHFRTFSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H]1C[C@@H](N[C@H]2CCc3cc(Br)ccc32)CC[N@H+]1C ZINC000252184164 1021276805 /nfs/dbraw/zinc/27/68/05/1021276805.db2.gz UBGDZCJEMMWINT-WPGHFRTFSA-N 1 3 323.278 3.509 20 0 DHADHO CC[C@@H]1COCC[N@@H+]1[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984038 1032964657 /nfs/dbraw/zinc/96/46/57/1032964657.db2.gz BWGVMYWZESCMLT-RTBURBONSA-N 1 3 316.489 3.540 20 0 DHADHO CC[C@@H]1COCC[N@H+]1[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984038 1032964665 /nfs/dbraw/zinc/96/46/65/1032964665.db2.gz BWGVMYWZESCMLT-RTBURBONSA-N 1 3 316.489 3.540 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(OC(F)F)c1 ZINC000624119499 1021343330 /nfs/dbraw/zinc/34/33/30/1021343330.db2.gz CZZUDAAWIOUZNS-ZIAGYGMSSA-N 1 3 312.404 3.671 20 0 DHADHO Cc1cc(NC[C@@H](c2ccc(F)cc2)N(C)C)c2ccccc2[nH+]1 ZINC000613572452 1021413622 /nfs/dbraw/zinc/41/36/22/1021413622.db2.gz ALAJGDCYQGJFFK-FQEVSTJZSA-N 1 3 323.415 3.819 20 0 DHADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121957 1021508301 /nfs/dbraw/zinc/50/83/01/1021508301.db2.gz GNNUUMOBAXMXAX-WMZOPIPTSA-N 1 3 302.462 3.530 20 0 DHADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2ccncc2)C3)cc1 ZINC001172069581 1032996492 /nfs/dbraw/zinc/99/64/92/1032996492.db2.gz VJZREMWVMFECMA-MZADTFQBSA-N 1 3 321.468 3.757 20 0 DHADHO [NH3+]CC[C@@H]1CCCN(Cc2cnc(C3CCCCC3)s2)C1 ZINC000564973789 1021704007 /nfs/dbraw/zinc/70/40/07/1021704007.db2.gz ZOLFGUZJXAXNCE-AWEZNQCLSA-N 1 3 307.507 3.752 20 0 DHADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1cnn(C2CCCC2)c1 ZINC000337456497 1033005832 /nfs/dbraw/zinc/00/58/32/1033005832.db2.gz JGOKVKYPIUVWCW-MRXNPFEDSA-N 1 3 318.509 3.771 20 0 DHADHO COc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCC2 ZINC001172109639 1033010607 /nfs/dbraw/zinc/01/06/07/1033010607.db2.gz IMDFRLVAGKPLQD-PDOICOKGSA-N 1 3 314.473 3.678 20 0 DHADHO COc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001172109639 1033010620 /nfs/dbraw/zinc/01/06/20/1033010620.db2.gz IMDFRLVAGKPLQD-PDOICOKGSA-N 1 3 314.473 3.678 20 0 DHADHO COc1ccc2c(c1)[C@H](N[C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCC2 ZINC001172109638 1033013601 /nfs/dbraw/zinc/01/36/01/1033013601.db2.gz IMDFRLVAGKPLQD-AXVVYFOYSA-N 1 3 314.473 3.678 20 0 DHADHO COc1ccc2c(c1)[C@H](N[C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001172109638 1033013613 /nfs/dbraw/zinc/01/36/13/1033013613.db2.gz IMDFRLVAGKPLQD-AXVVYFOYSA-N 1 3 314.473 3.678 20 0 DHADHO CC(C)CCN1CCC([NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000893098486 1021916180 /nfs/dbraw/zinc/91/61/80/1021916180.db2.gz PDKWEDKIJTWGGH-SFHVURJKSA-N 1 3 320.525 3.607 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccccc2C)[C@H](C)C1 ZINC000153179328 1021997235 /nfs/dbraw/zinc/99/72/35/1021997235.db2.gz BQOPWQRWQUTKCO-HBFSDRIKSA-N 1 3 318.505 3.783 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccccc2C)[C@H](C)C1 ZINC000153179328 1021997246 /nfs/dbraw/zinc/99/72/46/1021997246.db2.gz BQOPWQRWQUTKCO-HBFSDRIKSA-N 1 3 318.505 3.783 20 0 DHADHO CC1(C)CC([NH3+])CC(C)(C)N1[C@@H]1CSc2ccccc2C1 ZINC001172184606 1033029662 /nfs/dbraw/zinc/02/96/62/1033029662.db2.gz NZMSVISMICQHDJ-HNNXBMFYSA-N 1 3 304.503 3.684 20 0 DHADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@@H]1CSc2ccccc2C1 ZINC001172184606 1033029670 /nfs/dbraw/zinc/02/96/70/1033029670.db2.gz NZMSVISMICQHDJ-HNNXBMFYSA-N 1 3 304.503 3.684 20 0 DHADHO C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2F)CCC[C@@H]1C[NH3+] ZINC001205993665 1022150124 /nfs/dbraw/zinc/15/01/24/1022150124.db2.gz IFCJDMBZRWHFGF-VXGBXAGGSA-N 1 3 318.358 3.651 20 0 DHADHO CO[C@@H](CN1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000659943325 1022227312 /nfs/dbraw/zinc/22/73/12/1022227312.db2.gz BGTMEDLTQUZITF-MOPGFXCFSA-N 1 3 308.510 3.532 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1F)C1CCC1)C2 ZINC001169100533 1022246788 /nfs/dbraw/zinc/24/67/88/1022246788.db2.gz KRLZHAYKDWVJJC-GGXPGOJBSA-N 1 3 302.437 3.882 20 0 DHADHO C[C@@H]([NH3+])[C@@H](NC1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000925535721 1022260731 /nfs/dbraw/zinc/26/07/31/1022260731.db2.gz JVUOISSIUNTPIL-GALLPEHLSA-N 1 3 300.368 3.786 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C)Cc1cccc(Br)c1)C2 ZINC001169126815 1022261422 /nfs/dbraw/zinc/26/14/22/1022261422.db2.gz XTIIKSVDXGQXBI-ZSHCYNCHSA-N 1 3 323.278 3.506 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)Cc1cccc(Br)c1)C2 ZINC001169126815 1022261424 /nfs/dbraw/zinc/26/14/24/1022261424.db2.gz XTIIKSVDXGQXBI-ZSHCYNCHSA-N 1 3 323.278 3.506 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3c(F)cc(F)cc31)C2 ZINC001169125312 1022261674 /nfs/dbraw/zinc/26/16/74/1022261674.db2.gz YSUGAISKEZYFIX-KYZVSKTDSA-N 1 3 306.400 3.557 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccccc3nc1[C@@H]1CCCCN1)C2 ZINC001169148465 1022279325 /nfs/dbraw/zinc/27/93/25/1022279325.db2.gz ZLPMFQMFNWCCOB-LHHMISFZSA-N 1 3 324.472 3.649 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccccc3nc1[C@@H]1CCCCN1)C2 ZINC001169148465 1022279329 /nfs/dbraw/zinc/27/93/29/1022279329.db2.gz ZLPMFQMFNWCCOB-LHHMISFZSA-N 1 3 324.472 3.649 20 0 DHADHO C[C@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCc2ccc(Cl)cc21 ZINC001169155654 1022284085 /nfs/dbraw/zinc/28/40/85/1022284085.db2.gz UFSPEUVDMDLCOJ-RUGDWHBFSA-N 1 3 318.892 3.927 20 0 DHADHO C[C@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCc2ccc(Cl)cc21 ZINC001169155654 1022284093 /nfs/dbraw/zinc/28/40/93/1022284093.db2.gz UFSPEUVDMDLCOJ-RUGDWHBFSA-N 1 3 318.892 3.927 20 0 DHADHO CC[NH+]1CCC(N2CCCC[C@@H]2c2cccc(OC)c2)CC1 ZINC001169258999 1022327279 /nfs/dbraw/zinc/32/72/79/1022327279.db2.gz XWLXXBLFFKCCBA-LJQANCHMSA-N 1 3 302.462 3.707 20 0 DHADHO C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272175966 1022494300 /nfs/dbraw/zinc/49/43/00/1022494300.db2.gz JBNBCYRTMUIOLI-QAPCUYQASA-N 1 3 300.471 3.748 20 0 DHADHO C[C@H](CCc1ccco1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000157403431 1022546697 /nfs/dbraw/zinc/54/66/97/1022546697.db2.gz CQFLGFZPQYFPLC-MRXNPFEDSA-N 1 3 304.478 3.987 20 0 DHADHO CC[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C)cc1 ZINC000132795256 1033065572 /nfs/dbraw/zinc/06/55/72/1033065572.db2.gz WOAVHIZULMGZPI-FXAWDEMLSA-N 1 3 316.489 3.537 20 0 DHADHO OC[C@H](CC1CCCCC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000417366697 1022710258 /nfs/dbraw/zinc/71/02/58/1022710258.db2.gz NMQNPJCNDSGQIR-IBGZPJMESA-N 1 3 322.537 3.704 20 0 DHADHO OC[C@H](CC1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417366697 1022710266 /nfs/dbraw/zinc/71/02/66/1022710266.db2.gz NMQNPJCNDSGQIR-IBGZPJMESA-N 1 3 322.537 3.704 20 0 DHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000164487778 1022952657 /nfs/dbraw/zinc/95/26/57/1022952657.db2.gz DRPYUQGCVQHBOX-OAHLLOKOSA-N 1 3 321.484 3.807 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(C)cc2)[C@H](C)C1 ZINC000165899047 1022999325 /nfs/dbraw/zinc/99/93/25/1022999325.db2.gz SBGAVTGPESJVOC-HBFSDRIKSA-N 1 3 318.505 3.783 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(C)cc2)[C@H](C)C1 ZINC000165899047 1022999331 /nfs/dbraw/zinc/99/93/31/1022999331.db2.gz SBGAVTGPESJVOC-HBFSDRIKSA-N 1 3 318.505 3.783 20 0 DHADHO Clc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000250751393 1023101340 /nfs/dbraw/zinc/10/13/40/1023101340.db2.gz KUKZVBWGQMIMNN-CABCVRRESA-N 1 3 313.272 3.752 20 0 DHADHO Clc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000250751393 1023101346 /nfs/dbraw/zinc/10/13/46/1023101346.db2.gz KUKZVBWGQMIMNN-CABCVRRESA-N 1 3 313.272 3.752 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000769870584 1023234227 /nfs/dbraw/zinc/23/42/27/1023234227.db2.gz ARPYWVKZAGBZPH-CABCVRRESA-N 1 3 307.482 3.851 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCCC[N@H+]1CCCC[C@H]1C ZINC000769870584 1023234233 /nfs/dbraw/zinc/23/42/33/1023234233.db2.gz ARPYWVKZAGBZPH-CABCVRRESA-N 1 3 307.482 3.851 20 0 DHADHO CN1CC[C@@]2(C1)CCC[N@H+](CCOc1ccc3ccccc3c1)C2 ZINC000660653550 1023364555 /nfs/dbraw/zinc/36/45/55/1023364555.db2.gz SOLFWLXKUVXYAE-OAQYLSRUSA-N 1 3 324.468 3.636 20 0 DHADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccc3ccccc3c1)C2 ZINC000660653550 1023364563 /nfs/dbraw/zinc/36/45/63/1023364563.db2.gz SOLFWLXKUVXYAE-OAQYLSRUSA-N 1 3 324.468 3.636 20 0 DHADHO CN1CC[C@@]2(C1)CCC[N@H+](CCSc1ccc(Cl)cc1)C2 ZINC000660655630 1023369324 /nfs/dbraw/zinc/36/93/24/1023369324.db2.gz OKLISBGGINZBJD-QGZVFWFLSA-N 1 3 324.921 3.850 20 0 DHADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCSc1ccc(Cl)cc1)C2 ZINC000660655630 1023369330 /nfs/dbraw/zinc/36/93/30/1023369330.db2.gz OKLISBGGINZBJD-QGZVFWFLSA-N 1 3 324.921 3.850 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cnc3c(F)cccc3c2)C[C@H]1C ZINC000876757760 1033134752 /nfs/dbraw/zinc/13/47/52/1033134752.db2.gz FUAPYYZSTIBILF-PBHICJAKSA-N 1 3 315.436 3.679 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc3c(F)cccc3c2)C[C@H]1C ZINC000876757760 1033134761 /nfs/dbraw/zinc/13/47/61/1033134761.db2.gz FUAPYYZSTIBILF-PBHICJAKSA-N 1 3 315.436 3.679 20 0 DHADHO C[N@@H+]1CCC[C@H](CCN[C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651829494 1023577826 /nfs/dbraw/zinc/57/78/26/1023577826.db2.gz DPUUPWQHOXGLCZ-IUODEOHRSA-N 1 3 310.844 3.788 20 0 DHADHO C[N@H+]1CCC[C@H](CCN[C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651829494 1023577828 /nfs/dbraw/zinc/57/78/28/1023577828.db2.gz DPUUPWQHOXGLCZ-IUODEOHRSA-N 1 3 310.844 3.788 20 0 DHADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C[C@H]1C ZINC001172368892 1033149064 /nfs/dbraw/zinc/14/90/64/1033149064.db2.gz KJSLEFJQQKNPEZ-LMMKCTJWSA-N 1 3 315.505 3.708 20 0 DHADHO Cc1nc(F)ccc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000787193725 1023773159 /nfs/dbraw/zinc/77/31/59/1023773159.db2.gz YVRRFVZFXAEMPF-UHFFFAOYSA-N 1 3 319.468 3.617 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2ccc(F)nc2C)CC1 ZINC000787271857 1023781715 /nfs/dbraw/zinc/78/17/15/1023781715.db2.gz OZXSQLAJJKVLMQ-UHFFFAOYSA-N 1 3 321.484 3.863 20 0 DHADHO CC[C@@H](CC(C)C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001172394050 1033178180 /nfs/dbraw/zinc/17/81/80/1033178180.db2.gz MYPINIOLGPJSDB-SFHVURJKSA-N 1 3 303.494 3.708 20 0 DHADHO CO[C@@H]1CCC[C@@H]([N@H+](C)C2CCN(C3CCCCC3)CC2)C1 ZINC001172953411 1033493943 /nfs/dbraw/zinc/49/39/43/1033493943.db2.gz OVLCOBOXQKFBDX-RTBURBONSA-N 1 3 308.510 3.673 20 0 DHADHO CO[C@@H]1CCC[C@@H]([N@@H+](C)C2CCN(C3CCCCC3)CC2)C1 ZINC001172953411 1033493950 /nfs/dbraw/zinc/49/39/50/1033493950.db2.gz OVLCOBOXQKFBDX-RTBURBONSA-N 1 3 308.510 3.673 20 0 DHADHO C[C@@H](c1cc(F)ccc1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298414 1024080609 /nfs/dbraw/zinc/08/06/09/1024080609.db2.gz WAMSEBTVXZCNJB-ZFWWWQNUSA-N 1 3 308.416 3.737 20 0 DHADHO C[C@@H]1CCCN(Cc2nc(C(C)(C)C)cs2)[C@@H]1CCC[NH3+] ZINC000662314785 1024102165 /nfs/dbraw/zinc/10/21/65/1024102165.db2.gz FMFWNVUVPDVXAA-ZIAGYGMSSA-N 1 3 309.523 3.780 20 0 DHADHO COc1cc(C)c([C@H](C)[NH2+]CCCN2CCCCC2)cc1OC ZINC000162418404 1024170763 /nfs/dbraw/zinc/17/07/63/1024170763.db2.gz OQCHVDFDOZRCRF-INIZCTEOSA-N 1 3 320.477 3.539 20 0 DHADHO COCc1c(C)cc(C)c(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000882941303 1024180406 /nfs/dbraw/zinc/18/04/06/1024180406.db2.gz NRUJQPVDWKLJHM-SFHVURJKSA-N 1 3 318.505 3.578 20 0 DHADHO COCc1c(C)cc(C)c(CNC[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000882941303 1024180410 /nfs/dbraw/zinc/18/04/10/1024180410.db2.gz NRUJQPVDWKLJHM-SFHVURJKSA-N 1 3 318.505 3.578 20 0 DHADHO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000531735962 1024289748 /nfs/dbraw/zinc/28/97/48/1024289748.db2.gz LSXHDCAXCCKONJ-LSTDLKDCSA-N 1 3 318.505 3.991 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccsc1 ZINC000453088615 1024323840 /nfs/dbraw/zinc/32/38/40/1024323840.db2.gz RJSWJCKVSNIPDM-INMHGKMJSA-N 1 3 310.507 3.678 20 0 DHADHO COCCC[NH+]1CCC(N[C@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453091903 1024326222 /nfs/dbraw/zinc/32/62/22/1024326222.db2.gz NDDYXFPNZBDXAR-YOEHRIQHSA-N 1 3 322.518 3.777 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccncc1 ZINC000453106314 1024333580 /nfs/dbraw/zinc/33/35/80/1024333580.db2.gz IQCPGDJMIIJTNZ-FPOVZHCZSA-N 1 3 323.484 3.687 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccsc1 ZINC000453173084 1024383553 /nfs/dbraw/zinc/38/35/53/1024383553.db2.gz YNBAGMCLFNIPSW-RCCFBDPRSA-N 1 3 322.518 3.557 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)CCCc2cccnc2)C1 ZINC000453181973 1024384350 /nfs/dbraw/zinc/38/43/50/1024384350.db2.gz WRNKNCJBDVWXPN-UYAOXDASSA-N 1 3 317.521 3.750 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)CCCc2cccnc2)C1 ZINC000453181968 1024385844 /nfs/dbraw/zinc/38/58/44/1024385844.db2.gz WRNKNCJBDVWXPN-AZUAARDMSA-N 1 3 317.521 3.750 20 0 DHADHO C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466965 1024408890 /nfs/dbraw/zinc/40/88/90/1024408890.db2.gz CESVIKNITISCLE-YLJYHZDGSA-N 1 3 300.490 3.719 20 0 DHADHO CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468956 1024415804 /nfs/dbraw/zinc/41/58/04/1024415804.db2.gz NREHJOSXGBWKHF-DLBZAZTESA-N 1 3 306.519 3.781 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(C(C)(C)C)cc1 ZINC000925778511 1024437403 /nfs/dbraw/zinc/43/74/03/1024437403.db2.gz JSNLZZNTWNYOCS-BBRMVZONSA-N 1 3 310.432 3.880 20 0 DHADHO Cc1cc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)ccc1F ZINC000453336772 1024469338 /nfs/dbraw/zinc/46/93/38/1024469338.db2.gz FMORYVKYRLXLLB-RGPMPMONSA-N 1 3 302.437 3.800 20 0 DHADHO Cc1cc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)ccc1F ZINC000453336772 1024469346 /nfs/dbraw/zinc/46/93/46/1024469346.db2.gz FMORYVKYRLXLLB-RGPMPMONSA-N 1 3 302.437 3.800 20 0 DHADHO CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(F)ccc1F ZINC000453365628 1024488464 /nfs/dbraw/zinc/48/84/64/1024488464.db2.gz SMJVOYVNAOQKPV-KRWWSPQJSA-N 1 3 308.416 3.877 20 0 DHADHO C[C@H]1C[C@H](NCCc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000271544608 1024537149 /nfs/dbraw/zinc/53/71/49/1024537149.db2.gz UVBVSQTYDVFPOA-WCQYABFASA-N 1 3 323.893 3.565 20 0 DHADHO C[C@H]1C[C@H](NCCc2nc3cc(Cl)ccc3s2)CC[N@H+]1C ZINC000271544608 1024537157 /nfs/dbraw/zinc/53/71/57/1024537157.db2.gz UVBVSQTYDVFPOA-WCQYABFASA-N 1 3 323.893 3.565 20 0 DHADHO CCc1ccc(CN2CCC(CCC[NH+](CC)CC)CC2)cn1 ZINC000348261412 1024614680 /nfs/dbraw/zinc/61/46/80/1024614680.db2.gz LULIKZKNEJDAPH-UHFFFAOYSA-N 1 3 317.521 3.978 20 0 DHADHO CCC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccsc1 ZINC000432419196 1024665729 /nfs/dbraw/zinc/66/57/29/1024665729.db2.gz ZVIVDRAMAWHXBG-NVXWUHKLSA-N 1 3 310.507 3.680 20 0 DHADHO CCC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccsc1 ZINC000432419196 1024665736 /nfs/dbraw/zinc/66/57/36/1024665736.db2.gz ZVIVDRAMAWHXBG-NVXWUHKLSA-N 1 3 310.507 3.680 20 0 DHADHO CC[C@H]1C[C@@H](N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CCO1 ZINC001170189968 1024687209 /nfs/dbraw/zinc/68/72/09/1024687209.db2.gz CNEBPBMCXJKLTE-IRXDYDNUSA-N 1 3 322.880 3.547 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2cnc(CC)s2)CC1 ZINC000350224421 1024802391 /nfs/dbraw/zinc/80/23/91/1024802391.db2.gz VUQJKPMNTYLIQZ-UHFFFAOYSA-N 1 3 309.523 3.649 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc(CC)s2)CC1 ZINC000350224421 1024802410 /nfs/dbraw/zinc/80/24/10/1024802410.db2.gz VUQJKPMNTYLIQZ-UHFFFAOYSA-N 1 3 309.523 3.649 20 0 DHADHO Cc1cc(F)ccc1[C@@H](C)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000925825601 1024861992 /nfs/dbraw/zinc/86/19/92/1024861992.db2.gz ARASZOZLZUTJKT-CHWSQXEVSA-N 1 3 301.409 3.708 20 0 DHADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccccc1C(F)(F)F ZINC000021501113 1024950278 /nfs/dbraw/zinc/95/02/78/1024950278.db2.gz AZEJPHRFQUYTOM-LBPRGKRZSA-N 1 3 302.384 3.944 20 0 DHADHO c1ccc([C@@H]2CC[C@@H]([NH+]3CCN(c4ccncc4)CC3)C2)cc1 ZINC001172559546 1033255964 /nfs/dbraw/zinc/25/59/64/1033255964.db2.gz ZGKURWMQKLZIRP-UYAOXDASSA-N 1 3 307.441 3.540 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)c(C)c1OC ZINC000353457507 1025073552 /nfs/dbraw/zinc/07/35/52/1025073552.db2.gz ZLTVZUJLDCCUML-MRXNPFEDSA-N 1 3 320.477 3.539 20 0 DHADHO Cc1c[nH+]ccc1N1CCN([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565907 1033257238 /nfs/dbraw/zinc/25/72/38/1033257238.db2.gz PXEHLNLOGDSAAV-WOJBJXKFSA-N 1 3 321.468 3.848 20 0 DHADHO CC[C@H](N[C@H](C)CC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000353513076 1025102726 /nfs/dbraw/zinc/10/27/26/1025102726.db2.gz DXKNTNNDUFQQNF-DOMZBBRYSA-N 1 3 318.383 3.966 20 0 DHADHO CC(C)Oc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000122846708 1025210464 /nfs/dbraw/zinc/21/04/64/1025210464.db2.gz PAOWUFJMVMQJSU-OAHLLOKOSA-N 1 3 302.462 3.751 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000040622731 1025242393 /nfs/dbraw/zinc/24/23/93/1025242393.db2.gz VWSAVVJEUANWKZ-NXVRBGIVSA-N 1 3 306.881 3.906 20 0 DHADHO Cc1c2[nH]cnc2ccc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170451019 1025291682 /nfs/dbraw/zinc/29/16/82/1025291682.db2.gz IKWXLDHRIXVPBV-UHFFFAOYSA-N 1 3 300.450 3.935 20 0 DHADHO Cc1ccncc1CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000279887395 1025305339 /nfs/dbraw/zinc/30/53/39/1025305339.db2.gz KNNIOUDKROUCSR-UHFFFAOYSA-N 1 3 309.457 3.666 20 0 DHADHO Cc1ccc(CCCNCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000354156590 1025372470 /nfs/dbraw/zinc/37/24/70/1025372470.db2.gz AFDHPDGXTPIIGL-CALCHBBNSA-N 1 3 317.521 3.669 20 0 DHADHO Cc1ccc(CCCNCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000354156590 1025372484 /nfs/dbraw/zinc/37/24/84/1025372484.db2.gz AFDHPDGXTPIIGL-CALCHBBNSA-N 1 3 317.521 3.669 20 0 DHADHO CO[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000886008572 1025437003 /nfs/dbraw/zinc/43/70/03/1025437003.db2.gz PWVHVGOZRFPRCM-QFBILLFUSA-N 1 3 308.510 3.721 20 0 DHADHO C[C@@H](CC[NH2+][C@H]1CCOC2(CCCCC2)C1)N1CCCCC1 ZINC000886062484 1025459996 /nfs/dbraw/zinc/45/99/96/1025459996.db2.gz PXTNUKVLXLARLN-ROUUACIJSA-N 1 3 308.510 3.722 20 0 DHADHO CSCc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000893855830 1025571957 /nfs/dbraw/zinc/57/19/57/1025571957.db2.gz GUSZIBSJYYMTIE-UHFFFAOYSA-N 1 3 304.503 3.610 20 0 DHADHO CSCc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000893855830 1025571971 /nfs/dbraw/zinc/57/19/71/1025571971.db2.gz GUSZIBSJYYMTIE-UHFFFAOYSA-N 1 3 304.503 3.610 20 0 DHADHO CSc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047971198 1025581023 /nfs/dbraw/zinc/58/10/23/1025581023.db2.gz KKWNLZPNUJYCCH-UHFFFAOYSA-N 1 3 304.503 3.716 20 0 DHADHO CN(C)CC1(C[NH2+][C@@H]2CCSc3ccccc32)CCCC1 ZINC000355072414 1025598998 /nfs/dbraw/zinc/59/89/98/1025598998.db2.gz XKWPAIWRNUTXFQ-MRXNPFEDSA-N 1 3 304.503 3.935 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc(-c4ccncc4)c3)CC[C@H]21 ZINC000355205265 1025636736 /nfs/dbraw/zinc/63/67/36/1025636736.db2.gz JBPACQJKZGQMBW-LEWJYISDSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc(-c4ccncc4)c3)CC[C@H]21 ZINC000355205265 1025636741 /nfs/dbraw/zinc/63/67/41/1025636741.db2.gz JBPACQJKZGQMBW-LEWJYISDSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@H]2C[N@H+](Cc3cccc(-c4ccncc4)c3)CC[C@H]21 ZINC000355205265 1025636745 /nfs/dbraw/zinc/63/67/45/1025636745.db2.gz JBPACQJKZGQMBW-LEWJYISDSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)CC[C@H]21 ZINC000355205265 1025636750 /nfs/dbraw/zinc/63/67/50/1025636750.db2.gz JBPACQJKZGQMBW-LEWJYISDSA-N 1 3 321.468 3.665 20 0 DHADHO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1cccc(Br)c1 ZINC000049554189 1025715623 /nfs/dbraw/zinc/71/56/23/1025715623.db2.gz WBLKIUHYGOSWPT-SWLSCSKDSA-N 1 3 313.283 3.830 20 0 DHADHO C[C@@H](CCO)C1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000359893020 1025723833 /nfs/dbraw/zinc/72/38/33/1025723833.db2.gz CHJMYBDEFKQJEM-KRWDZBQOSA-N 1 3 322.537 3.562 20 0 DHADHO Cc1cc(Cl)nc(CNC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000886607137 1025732095 /nfs/dbraw/zinc/73/20/95/1025732095.db2.gz LMFQYJHZCNBCQK-UHFFFAOYSA-N 1 3 321.896 3.930 20 0 DHADHO CCC1(N2CCC2)CC[NH+](CCCCC2CCOCC2)CC1 ZINC000886718336 1025831785 /nfs/dbraw/zinc/83/17/85/1025831785.db2.gz XMAYRAXKWBNEPP-UHFFFAOYSA-N 1 3 308.510 3.534 20 0 DHADHO [NH3+]C1(c2ccccc2C(F)(F)F)CCN([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917253 1025925021 /nfs/dbraw/zinc/92/50/21/1025925021.db2.gz LJWUGNCGUYGDJI-WDNDVIMCSA-N 1 3 324.390 3.754 20 0 DHADHO CC(C)[N@@H+](CC[C@H](C)CCCC(C)(C)O)[C@@H]1CCCNCC1 ZINC001206584340 1026105344 /nfs/dbraw/zinc/10/53/44/1026105344.db2.gz YNYRDKIWKXJVPA-QZTJIDSGSA-N 1 3 312.542 3.806 20 0 DHADHO CC(C)[N@H+](CC[C@H](C)CCCC(C)(C)O)[C@@H]1CCCNCC1 ZINC001206584340 1026105355 /nfs/dbraw/zinc/10/53/55/1026105355.db2.gz YNYRDKIWKXJVPA-QZTJIDSGSA-N 1 3 312.542 3.806 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261747620 1026247260 /nfs/dbraw/zinc/24/72/60/1026247260.db2.gz BYNOWFUWOMPNJM-GXTWGEPZSA-N 1 3 300.368 3.573 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000513656950 1026552437 /nfs/dbraw/zinc/55/24/37/1026552437.db2.gz ZLRAVIXZNLMYGE-PMPSAXMXSA-N 1 3 312.379 3.668 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000513656950 1026552446 /nfs/dbraw/zinc/55/24/46/1026552446.db2.gz ZLRAVIXZNLMYGE-PMPSAXMXSA-N 1 3 312.379 3.668 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000513656950 1026552453 /nfs/dbraw/zinc/55/24/53/1026552453.db2.gz ZLRAVIXZNLMYGE-PMPSAXMXSA-N 1 3 312.379 3.668 20 0 DHADHO Cc1csc(CCCC[NH2+]C2CCN(CCC(C)C)CC2)n1 ZINC000924920591 1026782612 /nfs/dbraw/zinc/78/26/12/1026782612.db2.gz PUYHIWPRXWEOHU-UHFFFAOYSA-N 1 3 323.550 3.874 20 0 DHADHO CC[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCO1 ZINC000421385154 1026976089 /nfs/dbraw/zinc/97/60/89/1026976089.db2.gz NHMUNMYCKNBQKP-OQIJWPOYSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccncc1Cl ZINC000421822406 1027056247 /nfs/dbraw/zinc/05/62/47/1027056247.db2.gz WTYIUCQOJJNOHA-HUUCEWRRSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccncc1Cl ZINC000421822406 1027056255 /nfs/dbraw/zinc/05/62/55/1027056255.db2.gz WTYIUCQOJJNOHA-HUUCEWRRSA-N 1 3 309.885 3.898 20 0 DHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000561956506 1027141902 /nfs/dbraw/zinc/14/19/02/1027141902.db2.gz HRGURFJVPFUQJU-MOPGFXCFSA-N 1 3 323.569 3.549 20 0 DHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000561956506 1027141909 /nfs/dbraw/zinc/14/19/09/1027141909.db2.gz HRGURFJVPFUQJU-MOPGFXCFSA-N 1 3 323.569 3.549 20 0 DHADHO C[C@H](NC1(c2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271986125 1027193074 /nfs/dbraw/zinc/19/30/74/1027193074.db2.gz KQLAXAAGIJYXFZ-KRWDZBQOSA-N 1 3 324.468 3.967 20 0 DHADHO Cc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422698264 1027295780 /nfs/dbraw/zinc/29/57/80/1027295780.db2.gz YKLVAMGDICPZLF-CTNGQTDRSA-N 1 3 322.452 3.649 20 0 DHADHO Cc1cccc2[nH]cc(CCN[C@@H]3C[C@@H]([NH3+])c4ccccc43)c21 ZINC000422723199 1027306429 /nfs/dbraw/zinc/30/64/29/1027306429.db2.gz ZVWGIVURZAOIHK-IEBWSBKVSA-N 1 3 305.425 3.753 20 0 DHADHO [NH3+][C@H]1C[C@H](NCCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000422758368 1027306804 /nfs/dbraw/zinc/30/68/04/1027306804.db2.gz JKANJUWYRPAPHN-HKUYNNGSSA-N 1 3 309.388 3.584 20 0 DHADHO [NH3+][C@H]1C[C@H](NCCCCOCCc2ccccc2)c2ccccc21 ZINC000422724286 1027308224 /nfs/dbraw/zinc/30/82/24/1027308224.db2.gz VGDGYSXSDXVPPO-SFTDATJTSA-N 1 3 324.468 3.760 20 0 DHADHO CN(CCCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422745044 1027309475 /nfs/dbraw/zinc/30/94/75/1027309475.db2.gz XBLJYOVPKAZHQR-WOJBJXKFSA-N 1 3 309.457 3.637 20 0 DHADHO Cc1cccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000422777387 1027316820 /nfs/dbraw/zinc/31/68/20/1027316820.db2.gz FMPFEBYNGRZXPJ-HNNXBMFYSA-N 1 3 311.473 3.786 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000422798032 1027321386 /nfs/dbraw/zinc/32/13/86/1027321386.db2.gz PLSYPQRHCNTKNM-XFKAJCMBSA-N 1 3 322.880 3.618 20 0 DHADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H]1CN)c1cccc(C(F)(F)F)c1 ZINC000422810827 1027330851 /nfs/dbraw/zinc/33/08/51/1027330851.db2.gz NYLBKXKGXLLWNA-IVMMDQJWSA-N 1 3 314.395 3.916 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000422835423 1027337777 /nfs/dbraw/zinc/33/77/77/1027337777.db2.gz IVFAOEGURPMWET-ZIAGYGMSSA-N 1 3 301.261 3.740 20 0 DHADHO c1ccc2c(c1)CCS[C@@H]2CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422839243 1027338075 /nfs/dbraw/zinc/33/80/75/1027338075.db2.gz QCCDPVJELSIGNG-FCGDIQPGSA-N 1 3 316.514 3.527 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924958205 1027338940 /nfs/dbraw/zinc/33/89/40/1027338940.db2.gz CWHQIIIFXALOOI-DLBZAZTESA-N 1 3 318.505 3.685 20 0 DHADHO N[C@@H]1C[C@@H]([NH2+]C[C@H]2SCCc3ccccc32)c2ccccc21 ZINC000422838284 1027339813 /nfs/dbraw/zinc/33/98/13/1027339813.db2.gz OALKGLJOTKBXJD-GUDVDZBRSA-N 1 3 310.466 3.751 20 0 DHADHO CC(C)(CN[C@H]1CCC[C@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000422835421 1027340058 /nfs/dbraw/zinc/34/00/58/1027340058.db2.gz IVFAOEGURPMWET-KGLIPLIRSA-N 1 3 301.261 3.740 20 0 DHADHO Cc1csc(CCCCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000422911238 1027358955 /nfs/dbraw/zinc/35/89/55/1027358955.db2.gz SJAFKGFJEQLUGS-HZPDHXFCSA-N 1 3 301.459 3.509 20 0 DHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cc2ccccc2o1 ZINC000422924238 1027362924 /nfs/dbraw/zinc/36/29/24/1027362924.db2.gz TWCNBYFAKSIVPC-KXBFYZLASA-N 1 3 308.425 3.523 20 0 DHADHO Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422942261 1027370095 /nfs/dbraw/zinc/37/00/95/1027370095.db2.gz WHUAVANGOLQRMV-AVGNSLFASA-N 1 3 303.475 3.895 20 0 DHADHO Fc1ccc(C2(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000423016771 1027390843 /nfs/dbraw/zinc/39/08/43/1027390843.db2.gz UNQMOIZQQQTRFQ-ZTFGCOKTSA-N 1 3 320.427 3.507 20 0 DHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1cccc2c1CC[C@H]2[NH3+] ZINC001170686684 1027410406 /nfs/dbraw/zinc/41/04/06/1027410406.db2.gz YWXVTOKESODZAY-SUMWQHHRSA-N 1 3 318.424 3.505 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423098629 1027414605 /nfs/dbraw/zinc/41/46/05/1027414605.db2.gz CZLPPGYUVGWXJV-JSGCOSHPSA-N 1 3 300.899 3.831 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423128584 1027422219 /nfs/dbraw/zinc/42/22/19/1027422219.db2.gz LDJBAYXZZRCTIM-VLIAUNLRSA-N 1 3 309.457 3.693 20 0 DHADHO CCSc1cccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423133620 1027435471 /nfs/dbraw/zinc/43/54/71/1027435471.db2.gz QQUQNPQURUANIZ-CYBMUJFWSA-N 1 3 315.486 3.812 20 0 DHADHO C[C@@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc[nH]1 ZINC000812840886 1027440597 /nfs/dbraw/zinc/44/05/97/1027440597.db2.gz KCVWNNBPNLJCPT-OAHLLOKOSA-N 1 3 315.436 3.512 20 0 DHADHO C[C@@H](CCCc1cccnc1)[NH2+]CCNC1CCCCCC1 ZINC000423272362 1027489116 /nfs/dbraw/zinc/48/91/16/1027489116.db2.gz HXDZKHOETWAGCI-KRWDZBQOSA-N 1 3 303.494 3.695 20 0 DHADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423314851 1027497681 /nfs/dbraw/zinc/49/76/81/1027497681.db2.gz HYWHMLHMYAZOPV-NHYWBVRUSA-N 1 3 304.434 3.942 20 0 DHADHO C[C@@H](C[NH3+])CN[C@H](Cc1ccccc1Cl)c1cccs1 ZINC000423316373 1027498677 /nfs/dbraw/zinc/49/86/77/1027498677.db2.gz ZZGMHUMXPSLCQM-SWLSCSKDSA-N 1 3 308.878 3.870 20 0 DHADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423318787 1027498852 /nfs/dbraw/zinc/49/88/52/1027498852.db2.gz DQQMGSLFVXGBAS-OAHLLOKOSA-N 1 3 310.441 3.894 20 0 DHADHO Cc1c([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cnn1C(C)C ZINC000423296170 1027504564 /nfs/dbraw/zinc/50/45/64/1027504564.db2.gz YMPJCFBKNWNWAU-ZIAGYGMSSA-N 1 3 300.450 3.643 20 0 DHADHO Clc1ccc([C@@H](NCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423348642 1027507889 /nfs/dbraw/zinc/50/78/89/1027507889.db2.gz UTCXVSQPHXXYPE-IBGZPJMESA-N 1 3 312.844 3.939 20 0 DHADHO COc1cccc([C@@H](NCCCC[NH3+])c2ccccc2Cl)c1 ZINC000423323427 1027508444 /nfs/dbraw/zinc/50/84/44/1027508444.db2.gz JKOUUWNEHWDNRL-GOSISDBHSA-N 1 3 318.848 3.767 20 0 DHADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(OCc2ccccc2)cc1 ZINC000423333510 1027514198 /nfs/dbraw/zinc/51/41/98/1027514198.db2.gz RUYLHNSCIYLPKN-MRXNPFEDSA-N 1 3 310.441 3.798 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423363021 1027519958 /nfs/dbraw/zinc/51/99/58/1027519958.db2.gz AERMAERONVCAGX-YIYPIFLZSA-N 1 3 303.475 3.518 20 0 DHADHO COc1ccc2oc([C@H](C)N[C@@H]3CCC[C@@H]([NH3+])C3)c(C)c2c1 ZINC000423363700 1027521102 /nfs/dbraw/zinc/52/11/02/1027521102.db2.gz AFCPFKAUKBEUAO-BFHYXJOUSA-N 1 3 302.418 3.670 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000423369013 1027524275 /nfs/dbraw/zinc/52/42/75/1027524275.db2.gz DRAXKJYDXDOACT-WCFLWFBJSA-N 1 3 302.340 3.506 20 0 DHADHO Cc1cc(OCCC[C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)ccc1Cl ZINC000423388044 1027530924 /nfs/dbraw/zinc/53/09/24/1027530924.db2.gz SXJBZAGRTYKNPA-ARFHVFGLSA-N 1 3 324.896 3.926 20 0 DHADHO Cc1cc([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000296075551 1027535299 /nfs/dbraw/zinc/53/52/99/1027535299.db2.gz SIRJOYCYVBSZHW-OAHLLOKOSA-N 1 3 318.486 3.848 20 0 DHADHO CC(C)[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423395654 1027535327 /nfs/dbraw/zinc/53/53/27/1027535327.db2.gz NIWWASLIZQIFSK-WQVCFCJDSA-N 1 3 314.395 3.990 20 0 DHADHO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)[C@@H](C)N)CCC3)cc1 ZINC000423447434 1027545478 /nfs/dbraw/zinc/54/54/78/1027545478.db2.gz OZXNMYXGEMFKSU-VNHYZAJKSA-N 1 3 315.486 3.821 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1)[C@H](C)N ZINC000423452409 1027547410 /nfs/dbraw/zinc/54/74/10/1027547410.db2.gz WFJFAHHTNOVJMJ-ZNMIVQPWSA-N 1 3 316.420 3.791 20 0 DHADHO Cc1cc(N)cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000423471873 1027557457 /nfs/dbraw/zinc/55/74/57/1027557457.db2.gz FOMYVSRTUKRJGG-FXAWDEMLSA-N 1 3 323.484 3.577 20 0 DHADHO Cc1cc(N)cc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000423471873 1027557464 /nfs/dbraw/zinc/55/74/64/1027557464.db2.gz FOMYVSRTUKRJGG-FXAWDEMLSA-N 1 3 323.484 3.577 20 0 DHADHO Cc1cc(N)cc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000423471873 1027557471 /nfs/dbraw/zinc/55/74/71/1027557471.db2.gz FOMYVSRTUKRJGG-FXAWDEMLSA-N 1 3 323.484 3.577 20 0 DHADHO C[C@@H](NCCC[NH2+]C1CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000423518994 1027578423 /nfs/dbraw/zinc/57/84/23/1027578423.db2.gz CXHNALMXNKNPJB-CHWSQXEVSA-N 1 3 303.475 3.520 20 0 DHADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCNC1CC1 ZINC000423545034 1027587180 /nfs/dbraw/zinc/58/71/80/1027587180.db2.gz DNLWZCGYUMSWJW-OAHLLOKOSA-N 1 3 313.489 3.956 20 0 DHADHO Cc1cnccc1CNCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000296511508 1027656627 /nfs/dbraw/zinc/65/66/27/1027656627.db2.gz RMNZXRJORYEVQT-KRWDZBQOSA-N 1 3 323.484 3.912 20 0 DHADHO Cc1cnccc1CNCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000296511508 1027656634 /nfs/dbraw/zinc/65/66/34/1027656634.db2.gz RMNZXRJORYEVQT-KRWDZBQOSA-N 1 3 323.484 3.912 20 0 DHADHO C[NH+](C)Cc1cccc(CNCc2ccc(C(F)F)cc2)c1 ZINC000527523636 1027744627 /nfs/dbraw/zinc/74/46/27/1027744627.db2.gz YNJXJPSUVGDPQT-UHFFFAOYSA-N 1 3 304.384 3.976 20 0 DHADHO Cc1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccn1 ZINC000527666392 1027812748 /nfs/dbraw/zinc/81/27/48/1027812748.db2.gz NLGVMIFUWVLZRK-AEFFLSMTSA-N 1 3 315.486 3.624 20 0 DHADHO Cc1cc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccn1 ZINC000527666392 1027812769 /nfs/dbraw/zinc/81/27/69/1027812769.db2.gz NLGVMIFUWVLZRK-AEFFLSMTSA-N 1 3 315.486 3.624 20 0 DHADHO Cc1ccc(NC2CC[NH+](CCCN3CCCCC3)CC2)cc1 ZINC000364585376 1027848184 /nfs/dbraw/zinc/84/81/84/1027848184.db2.gz ZVFPHHYBVAKYDL-UHFFFAOYSA-N 1 3 315.505 3.747 20 0 DHADHO COc1cccc(Cl)c1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000577681240 1027881980 /nfs/dbraw/zinc/88/19/80/1027881980.db2.gz NHSGNQMRKUFSSX-HNNXBMFYSA-N 1 3 322.880 3.512 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](C[C@@H]2CCC=CO2)CC1 ZINC000365797492 1028006063 /nfs/dbraw/zinc/00/60/63/1028006063.db2.gz SKMRVFVZAKJMMG-UXHICEINSA-N 1 3 314.473 3.666 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC000365797492 1028006084 /nfs/dbraw/zinc/00/60/84/1028006084.db2.gz SKMRVFVZAKJMMG-UXHICEINSA-N 1 3 314.473 3.666 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](C[C@@H]2CCC=CO2)CC1 ZINC000365797491 1028006953 /nfs/dbraw/zinc/00/69/53/1028006953.db2.gz SKMRVFVZAKJMMG-PMACEKPBSA-N 1 3 314.473 3.666 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC000365797491 1028006972 /nfs/dbraw/zinc/00/69/72/1028006972.db2.gz SKMRVFVZAKJMMG-PMACEKPBSA-N 1 3 314.473 3.666 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](C)c2cc(F)cc(F)c2)C[C@@H]1C ZINC000449031145 1028269363 /nfs/dbraw/zinc/26/93/63/1028269363.db2.gz UMNZYPJTWOGBHQ-GLJUWKHASA-N 1 3 310.432 3.873 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](C)c2cc(F)cc(F)c2)C[C@@H]1C ZINC000449031145 1028269384 /nfs/dbraw/zinc/26/93/84/1028269384.db2.gz UMNZYPJTWOGBHQ-GLJUWKHASA-N 1 3 310.432 3.873 20 0 DHADHO C[C@H]([NH2+]C1CC(c2ccccn2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000368031649 1028282894 /nfs/dbraw/zinc/28/28/94/1028282894.db2.gz VLWJWGORELGMLV-KNXWPPODSA-N 1 3 313.489 3.570 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC000449092721 1028364801 /nfs/dbraw/zinc/36/48/01/1028364801.db2.gz MYXJUYBHDAGQHX-HZPDHXFCSA-N 1 3 300.446 3.685 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+]C2CCC3(CCCC3)CC2)C[C@H](C)O1 ZINC000564410549 1028434911 /nfs/dbraw/zinc/43/49/11/1028434911.db2.gz RSTUDUWNTUVMBB-HDICACEKSA-N 1 3 322.537 3.968 20 0 DHADHO Cc1cccc(CC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000449232890 1028472348 /nfs/dbraw/zinc/47/23/48/1028472348.db2.gz JOQBGKAGSDUCHD-PKOBYXMFSA-N 1 3 300.490 3.780 20 0 DHADHO Cc1cnc(C2CC[NH+](CC[C@H]3CCCCN3C)CC2)s1 ZINC000369365817 1028481774 /nfs/dbraw/zinc/48/17/74/1028481774.db2.gz GWTABWXZOARLCT-MRXNPFEDSA-N 1 3 307.507 3.505 20 0 DHADHO CC(C)(C[NH2+]C1CCC(OC2CCCC2)CC1)CN1CCCC1 ZINC000449285173 1028510113 /nfs/dbraw/zinc/51/01/13/1028510113.db2.gz QGGLPDWUNHRLPH-UHFFFAOYSA-N 1 3 322.537 3.968 20 0 DHADHO COc1cc2ccccc2cc1CN1CCCC12CC[NH+](C)CC2 ZINC000449262165 1028512938 /nfs/dbraw/zinc/51/29/38/1028512938.db2.gz BSCFXFSJFHGNQZ-UHFFFAOYSA-N 1 3 324.468 3.909 20 0 DHADHO COc1cc2ccccc2cc1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000449262165 1028512957 /nfs/dbraw/zinc/51/29/57/1028512957.db2.gz BSCFXFSJFHGNQZ-UHFFFAOYSA-N 1 3 324.468 3.909 20 0 DHADHO COc1cc2ccccc2cc1C[N@H+]1CCCC12CCN(C)CC2 ZINC000449262165 1028512972 /nfs/dbraw/zinc/51/29/72/1028512972.db2.gz BSCFXFSJFHGNQZ-UHFFFAOYSA-N 1 3 324.468 3.909 20 0 DHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CSC2(C)C)CC1 ZINC000449314895 1028549315 /nfs/dbraw/zinc/54/93/15/1028549315.db2.gz SLCDOMKHVXKBTG-CRAIPNDOSA-N 1 3 318.530 3.566 20 0 DHADHO C[C@@H]1CCC[C@@]1(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449344629 1028556767 /nfs/dbraw/zinc/55/67/67/1028556767.db2.gz RXZPRXPNPYBXML-OXQOHEQNSA-N 1 3 324.553 3.806 20 0 DHADHO CC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449353954 1028588533 /nfs/dbraw/zinc/58/85/33/1028588533.db2.gz IQLHBMJCFPKRRZ-FGTMMUONSA-N 1 3 322.443 3.922 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc(COc3ccccc3)c2)C1 ZINC000565610312 1028611232 /nfs/dbraw/zinc/61/12/32/1028611232.db2.gz XZIFACNDGLOSJG-RBUKOAKNSA-N 1 3 310.441 3.625 20 0 DHADHO Cc1cc(Cl)cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000565880750 1028646484 /nfs/dbraw/zinc/64/64/84/1028646484.db2.gz WOSSJRHVJLULAB-HZPDHXFCSA-N 1 3 324.896 3.627 20 0 DHADHO Fc1ccc([C@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000566683500 1028764229 /nfs/dbraw/zinc/76/42/29/1028764229.db2.gz KUZGXBXVRDDDHB-HXUWFJFHSA-N 1 3 310.416 3.809 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1Cl ZINC000567192395 1028852095 /nfs/dbraw/zinc/85/20/95/1028852095.db2.gz SBKNJUNHHUGFHK-PRTUASRFSA-N 1 3 308.853 3.624 20 0 DHADHO C[C@H]([NH2+]C1CCC2(CCCO2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000372688773 1028883715 /nfs/dbraw/zinc/88/37/15/1028883715.db2.gz ICKBJTXVUUOTCG-VWYCLODISA-N 1 3 320.521 3.721 20 0 DHADHO CCO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449760907 1028966918 /nfs/dbraw/zinc/96/69/18/1028966918.db2.gz SIVRWAMQEHOXCD-VBSBHUPXSA-N 1 3 322.537 3.967 20 0 DHADHO CCO[C@@H]1CCCC[C@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449760907 1028966929 /nfs/dbraw/zinc/96/69/29/1028966929.db2.gz SIVRWAMQEHOXCD-VBSBHUPXSA-N 1 3 322.537 3.967 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2cnc(C)o2)CC1)CC(C)C ZINC000628279986 1028989078 /nfs/dbraw/zinc/98/90/78/1028989078.db2.gz KDZFYGIQCOPZQR-UHFFFAOYSA-N 1 3 307.482 3.563 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2cnc(C)o2)CC1)CC(C)C ZINC000628279986 1028989093 /nfs/dbraw/zinc/98/90/93/1028989093.db2.gz KDZFYGIQCOPZQR-UHFFFAOYSA-N 1 3 307.482 3.563 20 0 DHADHO CN1CCCC[C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000628425752 1029053205 /nfs/dbraw/zinc/05/32/05/1029053205.db2.gz UKQFQUROAMVTCK-MJJDPTRDSA-N 1 3 308.416 3.532 20 0 DHADHO CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000568814313 1029130126 /nfs/dbraw/zinc/13/01/26/1029130126.db2.gz BYKZCUKLJDMICS-CVEARBPZSA-N 1 3 306.519 3.659 20 0 DHADHO Cc1cccc(C)c1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817908185 1029272512 /nfs/dbraw/zinc/27/25/12/1029272512.db2.gz PUFVZIVABGLWQW-CTNGQTDRSA-N 1 3 322.452 3.649 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170892496 1029357355 /nfs/dbraw/zinc/35/73/55/1029357355.db2.gz HLKRKMKFQFTGIG-QGZVFWFLSA-N 1 3 320.908 3.909 20 0 DHADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000450326083 1029375641 /nfs/dbraw/zinc/37/56/41/1029375641.db2.gz XBRSVNAUTNZTFR-IRXDYDNUSA-N 1 3 314.464 3.866 20 0 DHADHO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000571037904 1029445482 /nfs/dbraw/zinc/44/54/82/1029445482.db2.gz PVSILOYFCVPOTB-QILLFSRXSA-N 1 3 306.469 3.933 20 0 DHADHO FC1(F)CCCC[C@@H]1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000450419977 1029466179 /nfs/dbraw/zinc/46/61/79/1029466179.db2.gz BHEMFZXLCDNPPH-CVEARBPZSA-N 1 3 300.437 3.762 20 0 DHADHO Cc1[nH]c2ccc(F)cc2c1CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000530218527 1029779955 /nfs/dbraw/zinc/77/99/55/1029779955.db2.gz GQTIDHIMRZCFFB-QUCCMNQESA-N 1 3 323.415 3.892 20 0 DHADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000392248905 1029815473 /nfs/dbraw/zinc/81/54/73/1029815473.db2.gz SEBANFAQDMLDCC-GFCCVEGCSA-N 1 3 307.507 3.662 20 0 DHADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000392248905 1029815481 /nfs/dbraw/zinc/81/54/81/1029815481.db2.gz SEBANFAQDMLDCC-GFCCVEGCSA-N 1 3 307.507 3.662 20 0 DHADHO CC(C)[NH+]1CCC(CCNCc2nc3c(s2)CCCC3)CC1 ZINC000865717221 1029986647 /nfs/dbraw/zinc/98/66/47/1029986647.db2.gz SMAVFSRPQBUWTR-UHFFFAOYSA-N 1 3 321.534 3.622 20 0 DHADHO C1CC([NH2+]C2CCN(C3CCCCC3)CC2)([C@H]2CCCCO2)C1 ZINC000865856358 1030061137 /nfs/dbraw/zinc/06/11/37/1030061137.db2.gz GRWXTBKRJSCAKD-LJQANCHMSA-N 1 3 320.521 3.865 20 0 DHADHO C1CC(NC2CC[NH+](C3CCCCC3)CC2)([C@H]2CCCCO2)C1 ZINC000865856358 1030061145 /nfs/dbraw/zinc/06/11/45/1030061145.db2.gz GRWXTBKRJSCAKD-LJQANCHMSA-N 1 3 320.521 3.865 20 0 DHADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1ccc2[nH]cnc2c1 ZINC000530953231 1030099638 /nfs/dbraw/zinc/09/96/38/1030099638.db2.gz SCALAKCFNTXIKI-IRXDYDNUSA-N 1 3 314.477 3.553 20 0 DHADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1ccc2nc[nH]c2c1 ZINC000530953231 1030099650 /nfs/dbraw/zinc/09/96/50/1030099650.db2.gz SCALAKCFNTXIKI-IRXDYDNUSA-N 1 3 314.477 3.553 20 0 DHADHO COc1cc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000925008055 1030247349 /nfs/dbraw/zinc/24/73/49/1030247349.db2.gz BCSHDWKTIGFADG-CVEARBPZSA-N 1 3 312.457 3.841 20 0 DHADHO COc1cc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc2ccccc21 ZINC000925008055 1030247361 /nfs/dbraw/zinc/24/73/61/1030247361.db2.gz BCSHDWKTIGFADG-CVEARBPZSA-N 1 3 312.457 3.841 20 0 DHADHO CCCC[NH+]1CCC(N(C)[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171014338 1030250732 /nfs/dbraw/zinc/25/07/32/1030250732.db2.gz YPKGRURXKQJXBM-SFHVURJKSA-N 1 3 318.480 3.879 20 0 DHADHO CC1CCC(O)(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000357997445 1030272739 /nfs/dbraw/zinc/27/27/39/1030272739.db2.gz CZPRYALOZOYNBU-NUVZVAJJSA-N 1 3 322.537 3.514 20 0 DHADHO CC1CCC(O)(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000357997445 1030272753 /nfs/dbraw/zinc/27/27/53/1030272753.db2.gz CZPRYALOZOYNBU-NUVZVAJJSA-N 1 3 322.537 3.514 20 0 DHADHO CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(OC)c1 ZINC000358011148 1030279930 /nfs/dbraw/zinc/27/99/30/1030279930.db2.gz FFEOEETUXSPFLN-SFHVURJKSA-N 1 3 304.478 3.999 20 0 DHADHO COCCSc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000358110683 1030331676 /nfs/dbraw/zinc/33/16/76/1030331676.db2.gz MYNHKEDTTUWCPG-YQQAZPJKSA-N 1 3 322.518 3.558 20 0 DHADHO COCCSc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000358110683 1030331693 /nfs/dbraw/zinc/33/16/93/1030331693.db2.gz MYNHKEDTTUWCPG-YQQAZPJKSA-N 1 3 322.518 3.558 20 0 DHADHO CC(C)CCN1CCC([NH2+][C@@H](C)C[C@@H](O)c2cccs2)CC1 ZINC000925290803 1030332676 /nfs/dbraw/zinc/33/26/76/1030332676.db2.gz DSQHRISPSUZRAH-DOTOQJQBSA-N 1 3 324.534 3.660 20 0 DHADHO CC(C)CC[NH+]1CCC(N[C@@H](C)C[C@@H](O)c2cccs2)CC1 ZINC000925290803 1030332690 /nfs/dbraw/zinc/33/26/90/1030332690.db2.gz DSQHRISPSUZRAH-DOTOQJQBSA-N 1 3 324.534 3.660 20 0 DHADHO CCO[C@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCCC2 ZINC000151983860 1030371717 /nfs/dbraw/zinc/37/17/17/1030371717.db2.gz RAPLSSQJHILHLA-OALUTQOASA-N 1 3 320.521 3.721 20 0 DHADHO Cc1cccc2c1OCC[C@@H]2N[C@@H](CCC[NH3+])c1ccccc1 ZINC000925546652 1030396870 /nfs/dbraw/zinc/39/68/70/1030396870.db2.gz LYRCGZGILDDVDB-OALUTQOASA-N 1 3 310.441 3.888 20 0 DHADHO C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000925635611 1030429734 /nfs/dbraw/zinc/42/97/34/1030429734.db2.gz STPUKDOAHHFJOJ-HRAATJIYSA-N 1 3 323.484 3.586 20 0 DHADHO [NH3+][C@H]1C[C@H](N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C12CCC2 ZINC000925657933 1030443648 /nfs/dbraw/zinc/44/36/48/1030443648.db2.gz VJDQDRQGSYSKFW-TUUVXOQKSA-N 1 3 324.390 3.811 20 0 DHADHO FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925681619 1030451439 /nfs/dbraw/zinc/45/14/39/1030451439.db2.gz WGZXUBYSSIGEMX-OAGGEKHMSA-N 1 3 300.437 3.570 20 0 DHADHO COc1cc(F)cc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000925676930 1030451588 /nfs/dbraw/zinc/45/15/88/1030451588.db2.gz UTEJMZWQWAKNPG-AWEZNQCLSA-N 1 3 316.420 3.747 20 0 DHADHO C[C@]1(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1(Cl)Cl ZINC000925694984 1030455987 /nfs/dbraw/zinc/45/59/87/1030455987.db2.gz VQLJLFSTFXKOLO-ILXRZTDVSA-N 1 3 319.320 3.718 20 0 DHADHO C[C@]1(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1(Cl)Cl ZINC000925694987 1030456376 /nfs/dbraw/zinc/45/63/76/1030456376.db2.gz VQLJLFSTFXKOLO-KFWWJZLASA-N 1 3 319.320 3.718 20 0 DHADHO CC(C)(C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)CC(F)(F)F ZINC000925718468 1030462327 /nfs/dbraw/zinc/46/23/27/1030462327.db2.gz WRAOMUWPDQQSHD-KGLIPLIRSA-N 1 3 306.416 3.723 20 0 DHADHO CC(C)[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccccc1Cl ZINC000925781666 1030494346 /nfs/dbraw/zinc/49/43/46/1030494346.db2.gz JGYNMQQRGHVDFW-IUODEOHRSA-N 1 3 316.823 3.872 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc2ccccc2c1 ZINC000925781263 1030495065 /nfs/dbraw/zinc/49/50/65/1030495065.db2.gz XQINGXWAUDLSSL-DYVFJYSZSA-N 1 3 304.384 3.735 20 0 DHADHO FC1(F)CC[NH2+]C[C@H]1CN[C@H](c1cccs1)C1CCCC1 ZINC000925787242 1030498622 /nfs/dbraw/zinc/49/86/22/1030498622.db2.gz ZKGCTELREWNFBI-ZFWWWQNUSA-N 1 3 314.445 3.814 20 0 DHADHO Cc1nc([C@H](C)NCCCCCC2CC[NH2+]CC2)c(C)s1 ZINC000925807865 1030506329 /nfs/dbraw/zinc/50/63/29/1030506329.db2.gz KYTSEFXXQGIFQU-ZDUSSCGKSA-N 1 3 309.523 3.971 20 0 DHADHO FC1(F)[C@@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000925840237 1030517647 /nfs/dbraw/zinc/51/76/47/1030517647.db2.gz UTNWAPMCJZBKGQ-ILOCAZANSA-N 1 3 320.427 3.546 20 0 DHADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423776 1030570616 /nfs/dbraw/zinc/57/06/16/1030570616.db2.gz RPGKNOGCJDHYEF-CTNGQTDRSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423776 1030570630 /nfs/dbraw/zinc/57/06/30/1030570630.db2.gz RPGKNOGCJDHYEF-CTNGQTDRSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423776 1030570640 /nfs/dbraw/zinc/57/06/40/1030570640.db2.gz RPGKNOGCJDHYEF-CTNGQTDRSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423776 1030570649 /nfs/dbraw/zinc/57/06/49/1030570649.db2.gz RPGKNOGCJDHYEF-CTNGQTDRSA-N 1 3 321.468 3.665 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2ccccn2)CC1)CC(C)C ZINC000358739045 1030607600 /nfs/dbraw/zinc/60/76/00/1030607600.db2.gz UUKNCYPFOZOZSH-UHFFFAOYSA-N 1 3 303.494 3.662 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2ccccn2)CC1)CC(C)C ZINC000358739045 1030607605 /nfs/dbraw/zinc/60/76/05/1030607605.db2.gz UUKNCYPFOZOZSH-UHFFFAOYSA-N 1 3 303.494 3.662 20 0 DHADHO Cc1nc2c(s1)[C@@H]([NH2+]C1CCN(CCC(C)C)CC1)CCC2 ZINC000926117119 1030624065 /nfs/dbraw/zinc/62/40/65/1030624065.db2.gz OZTLJAFCEWRNIQ-KRWDZBQOSA-N 1 3 321.534 3.929 20 0 DHADHO Cc1cnc([C@@H](C)C[NH2+]C2CCN(CCC(C)C)CC2)s1 ZINC000926161278 1030638148 /nfs/dbraw/zinc/63/81/48/1030638148.db2.gz TUIASKBBXOPDAS-AWEZNQCLSA-N 1 3 309.523 3.655 20 0 DHADHO Cc1cnc([C@@H](C)CNC2CC[NH+](CCC(C)C)CC2)s1 ZINC000926161278 1030638156 /nfs/dbraw/zinc/63/81/56/1030638156.db2.gz TUIASKBBXOPDAS-AWEZNQCLSA-N 1 3 309.523 3.655 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)N(C)CCC1CC[NH2+]CC1 ZINC000359212658 1030844711 /nfs/dbraw/zinc/84/47/11/1030844711.db2.gz DXCWTXOPGCBSOG-ZDUSSCGKSA-N 1 3 303.475 3.679 20 0 DHADHO C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926698321 1030869035 /nfs/dbraw/zinc/86/90/35/1030869035.db2.gz ALZJWUFKUVEUCP-VHKYSDTDSA-N 1 3 310.441 3.577 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171096300 1030906118 /nfs/dbraw/zinc/90/61/18/1030906118.db2.gz UHOYIWWATHPJTN-IBGZPJMESA-N 1 3 320.908 3.909 20 0 DHADHO CC[C@H](NCCC[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000359360610 1030926237 /nfs/dbraw/zinc/92/62/37/1030926237.db2.gz GHSIJMKHCRNRET-IBGZPJMESA-N 1 3 300.446 3.841 20 0 DHADHO CC[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000872027080 1031411374 /nfs/dbraw/zinc/41/13/74/1031411374.db2.gz BUBMVQRNUCJPJE-QUCCMNQESA-N 1 3 322.537 3.826 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000360416234 1031417943 /nfs/dbraw/zinc/41/79/43/1031417943.db2.gz FDBPVOFPANQELD-IAGOWNOFSA-N 1 3 309.457 3.741 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCOc1cccc(C(C)(C)C)c1 ZINC000536870082 1031463460 /nfs/dbraw/zinc/46/34/60/1031463460.db2.gz LHPAJKHIGSPQFW-GJYPPUQNSA-N 1 3 318.505 3.681 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCOc1cccc(C(C)(C)C)c1 ZINC000536870082 1031463466 /nfs/dbraw/zinc/46/34/66/1031463466.db2.gz LHPAJKHIGSPQFW-GJYPPUQNSA-N 1 3 318.505 3.681 20 0 DHADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3c[nH]cc4ccnc3-4)c2c1 ZINC001171169609 1031507132 /nfs/dbraw/zinc/50/71/32/1031507132.db2.gz QGKYKFYZESHAEP-CYBMUJFWSA-N 1 3 304.397 3.705 20 0 DHADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cncc4cc[nH]c43)c2c1 ZINC001171169609 1031507139 /nfs/dbraw/zinc/50/71/39/1031507139.db2.gz QGKYKFYZESHAEP-CYBMUJFWSA-N 1 3 304.397 3.705 20 0 DHADHO c1cnc2cccc(C[NH2+]C3CCN(C4CCCC4)CC3)c2c1 ZINC000872124842 1031515539 /nfs/dbraw/zinc/51/55/39/1031515539.db2.gz VOJYRXUMXMYWEH-UHFFFAOYSA-N 1 3 309.457 3.731 20 0 DHADHO C[C@H](C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)CN(C)C ZINC000293634813 1031549400 /nfs/dbraw/zinc/54/94/00/1031549400.db2.gz KKZFOBQPDKHFHO-MGPQQGTHSA-N 1 3 305.491 3.576 20 0 DHADHO C[C@H](CN[C@H](C)[C@@H](C)c1nc2ccccc2s1)C[NH+](C)C ZINC000293634813 1031549413 /nfs/dbraw/zinc/54/94/13/1031549413.db2.gz KKZFOBQPDKHFHO-MGPQQGTHSA-N 1 3 305.491 3.576 20 0 DHADHO COc1cc(Cl)cc(CN2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC001144489840 1031641098 /nfs/dbraw/zinc/64/10/98/1031641098.db2.gz QOIDSMLFTDJEBN-UHFFFAOYSA-N 1 3 322.880 3.656 20 0 DHADHO COc1ccc(F)cc1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC000360984021 1031657599 /nfs/dbraw/zinc/65/75/99/1031657599.db2.gz PNDAPIVDLOOUAN-OAHLLOKOSA-N 1 3 308.441 3.579 20 0 DHADHO COc1ccc(F)cc1CNCCCC[N@H+]1CCCC[C@H]1C ZINC000360984021 1031657611 /nfs/dbraw/zinc/65/76/11/1031657611.db2.gz PNDAPIVDLOOUAN-OAHLLOKOSA-N 1 3 308.441 3.579 20 0 DHADHO CC(C)(NCc1cc2c(s1)CC[NH2+]C2)c1ccc(F)c(F)c1 ZINC000873207106 1031759549 /nfs/dbraw/zinc/75/95/49/1031759549.db2.gz QSXIDYTZRYBTNL-UHFFFAOYSA-N 1 3 322.424 3.697 20 0 DHADHO CC1(C)[C@H](C(F)(F)F)CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211118 1031759726 /nfs/dbraw/zinc/75/97/26/1031759726.db2.gz VWYPTHZIYJVCTD-CYBMUJFWSA-N 1 3 318.408 3.557 20 0 DHADHO Cc1cc(C[N@@H+]2CC[C@@](CN)(C(C)(C)C)C2)cc2cccnc12 ZINC000873223974 1031764701 /nfs/dbraw/zinc/76/47/01/1031764701.db2.gz VVUAADZQKLQOKU-FQEVSTJZSA-N 1 3 311.473 3.740 20 0 DHADHO Cc1cc(C[N@H+]2CC[C@@](CN)(C(C)(C)C)C2)cc2cccnc12 ZINC000873223974 1031764716 /nfs/dbraw/zinc/76/47/16/1031764716.db2.gz VVUAADZQKLQOKU-FQEVSTJZSA-N 1 3 311.473 3.740 20 0 DHADHO COCc1ccc(CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000873231693 1031766505 /nfs/dbraw/zinc/76/65/05/1031766505.db2.gz AENDFPMEFJYNLL-KXBFYZLASA-N 1 3 320.477 3.546 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCSCCC(F)(F)F ZINC000873252960 1031774599 /nfs/dbraw/zinc/77/45/99/1031774599.db2.gz SYPGRPHZAPOWMQ-CHWSQXEVSA-N 1 3 312.445 3.572 20 0 DHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCSCCC(F)(F)F ZINC000873252962 1031775422 /nfs/dbraw/zinc/77/54/22/1031775422.db2.gz SYPGRPHZAPOWMQ-QWHCGFSZSA-N 1 3 312.445 3.572 20 0 DHADHO [NH3+]CCCCCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000846221840 1031932536 /nfs/dbraw/zinc/93/25/36/1031932536.db2.gz RCNNHOKWTHQRIO-OAHLLOKOSA-N 1 3 303.475 3.952 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000044534155 1032056714 /nfs/dbraw/zinc/05/67/14/1032056714.db2.gz WZYACFWESYKGQN-OLZOCXBDSA-N 1 3 300.368 3.698 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000044534155 1032056726 /nfs/dbraw/zinc/05/67/26/1032056726.db2.gz WZYACFWESYKGQN-OLZOCXBDSA-N 1 3 300.368 3.698 20 0 DHADHO CC(C)CN(Cc1cccnc1Cl)CC1CC[NH+](C)CC1 ZINC000877767924 1033441767 /nfs/dbraw/zinc/44/17/67/1033441767.db2.gz ZDJJFUCZVIXFJD-UHFFFAOYSA-N 1 3 309.885 3.535 20 0 DHADHO CO[C@@H]1CCC[C@H](N2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001172929660 1033472150 /nfs/dbraw/zinc/47/21/50/1033472150.db2.gz ORMPUYTWVBARMP-DLBZAZTESA-N 1 3 322.880 3.547 20 0 DHADHO C1CCC(N2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)C1 ZINC001173042806 1033507554 /nfs/dbraw/zinc/50/75/54/1033507554.db2.gz MCWISXKFZOFVIF-UHFFFAOYSA-N 1 3 320.521 3.722 20 0 DHADHO CC(C)[N@H+](CCCN)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173082442 1033533941 /nfs/dbraw/zinc/53/39/41/1033533941.db2.gz MDLMKRPSMGZLGM-ZDUSSCGKSA-N 1 3 318.383 3.575 20 0 DHADHO CC(C)[N@@H+](CCCN)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173082442 1033533950 /nfs/dbraw/zinc/53/39/50/1033533950.db2.gz MDLMKRPSMGZLGM-ZDUSSCGKSA-N 1 3 318.383 3.575 20 0 DHADHO C[NH+](C)CC1CCN(Cc2ccc3ccc(Cl)cc3n2)CC1 ZINC000877971400 1033537705 /nfs/dbraw/zinc/53/77/05/1033537705.db2.gz XTEXDQLQSBECOP-UHFFFAOYSA-N 1 3 317.864 3.662 20 0 DHADHO CN1CCN(c2cccc(Nc3cc[nH+]c(C(C)(C)C)c3)c2)CC1 ZINC001212711828 1033587968 /nfs/dbraw/zinc/58/79/68/1033587968.db2.gz VKEMYUKXPYBWAC-UHFFFAOYSA-N 1 3 324.472 3.875 20 0 DHADHO CCSC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC001173291045 1033681574 /nfs/dbraw/zinc/68/15/74/1033681574.db2.gz JRPAGGOIDXQPJB-WZGPROSRSA-N 1 3 318.530 3.628 20 0 DHADHO CCCCO[C@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000479518782 1033796517 /nfs/dbraw/zinc/79/65/17/1033796517.db2.gz SFOYXHXSZJDWMK-FOIPXRHGSA-N 1 3 308.510 3.577 20 0 DHADHO c1ccc2nc(CNC3CCC([NH+]4CCCCC4)CC3)cnc2c1 ZINC000862283516 1033808666 /nfs/dbraw/zinc/80/86/66/1033808666.db2.gz JAKHXBBRRJMQEV-UHFFFAOYSA-N 1 3 324.472 3.517 20 0 DHADHO CN1CC2(C1)CC[NH+](C1CCC3(CCc4ccccc43)CC1)CC2 ZINC001173692161 1033836986 /nfs/dbraw/zinc/83/69/86/1033836986.db2.gz RDCKWOHIKSHHRZ-UHFFFAOYSA-N 1 3 324.512 3.841 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncc1 ZINC000174021449 1033898616 /nfs/dbraw/zinc/89/86/16/1033898616.db2.gz WHMJUMBJZSQVFU-HZPDHXFCSA-N 1 3 315.486 3.706 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccncc1 ZINC000174021449 1033898630 /nfs/dbraw/zinc/89/86/30/1033898630.db2.gz WHMJUMBJZSQVFU-HZPDHXFCSA-N 1 3 315.486 3.706 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000863546586 1034125851 /nfs/dbraw/zinc/12/58/51/1034125851.db2.gz GLXQOPXJIQFIHY-KZULUSFZSA-N 1 3 315.848 3.840 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cn(C(F)F)c2ccccc12 ZINC000863547967 1034126367 /nfs/dbraw/zinc/12/63/67/1034126367.db2.gz SQQUAUQSXNJTGT-WFASDCNBSA-N 1 3 307.388 3.514 20 0 DHADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(CO)c1 ZINC000183212217 1034363138 /nfs/dbraw/zinc/36/31/38/1034363138.db2.gz PWZNCMYHAPVIHC-QGZVFWFLSA-N 1 3 324.468 3.626 20 0 DHADHO COCCC1(C[NH2+]CC(C)(C)CN2CCCC2)CCCCC1 ZINC000480920566 1034510320 /nfs/dbraw/zinc/51/03/20/1034510320.db2.gz LZFCAZNYJBSZRM-UHFFFAOYSA-N 1 3 310.526 3.685 20 0 DHADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168032 1034537602 /nfs/dbraw/zinc/53/76/02/1034537602.db2.gz OWZAXYSLPDTDLF-IHPCNDPISA-N 1 3 300.490 3.890 20 0 DHADHO CCSc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000185473423 1034550289 /nfs/dbraw/zinc/55/02/89/1034550289.db2.gz CIVVGZVUUWBWCG-UHFFFAOYSA-N 1 3 304.503 3.763 20 0 DHADHO Cc1cccc(CCCN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000481078288 1034577781 /nfs/dbraw/zinc/57/77/81/1034577781.db2.gz QXSHOAMHDVSHHH-HXUWFJFHSA-N 1 3 300.490 3.735 20 0 DHADHO Cc1cccc(CCC[N@@H+]2CC[C@H](CN3CCCCC3)C2)c1 ZINC000481078288 1034577808 /nfs/dbraw/zinc/57/78/08/1034577808.db2.gz QXSHOAMHDVSHHH-HXUWFJFHSA-N 1 3 300.490 3.735 20 0 DHADHO Cc1cccc(CCC[N@H+]2CC[C@H](CN3CCCCC3)C2)c1 ZINC000481078288 1034577856 /nfs/dbraw/zinc/57/78/56/1034577856.db2.gz QXSHOAMHDVSHHH-HXUWFJFHSA-N 1 3 300.490 3.735 20 0 DHADHO Cc1ccc(Cl)c(CCNC2CC[NH+](CC3CC3)CC2)c1F ZINC001168365640 1034665183 /nfs/dbraw/zinc/66/51/83/1034665183.db2.gz BGPVOBYGMDZJSN-UHFFFAOYSA-N 1 3 324.871 3.794 20 0 DHADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186846630 1034667598 /nfs/dbraw/zinc/66/75/98/1034667598.db2.gz QDYNADIJCRNXBC-BFJAYTPKSA-N 1 3 314.395 3.651 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)[C@@H](C)C1 ZINC000482003807 1035043264 /nfs/dbraw/zinc/04/32/64/1035043264.db2.gz VSFSBMGZQPECAS-JXFKEZNVSA-N 1 3 313.489 3.947 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)[C@@H](C)C1 ZINC000482003807 1035043269 /nfs/dbraw/zinc/04/32/69/1035043269.db2.gz VSFSBMGZQPECAS-JXFKEZNVSA-N 1 3 313.489 3.947 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000482062193 1035052689 /nfs/dbraw/zinc/05/26/89/1035052689.db2.gz QWYIBGDTWQXZRX-IXMFHKDUSA-N 1 3 324.871 3.986 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000482062193 1035052699 /nfs/dbraw/zinc/05/26/99/1035052699.db2.gz QWYIBGDTWQXZRX-IXMFHKDUSA-N 1 3 324.871 3.986 20 0 DHADHO C[C@H]1C[C@H](NC2CC(F)(c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000482075970 1035056098 /nfs/dbraw/zinc/05/60/98/1035056098.db2.gz NCHIVTGSBZGIBY-YLWZXWFESA-N 1 3 310.844 3.740 20 0 DHADHO C[C@H]1C[C@H](NC2CC(F)(c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000482075970 1035056105 /nfs/dbraw/zinc/05/61/05/1035056105.db2.gz NCHIVTGSBZGIBY-YLWZXWFESA-N 1 3 310.844 3.740 20 0 DHADHO COc1ccccc1C1([NH2+]C2CCN(CC3CC3)CC2)CCC1 ZINC001168366509 1035078982 /nfs/dbraw/zinc/07/89/82/1035078982.db2.gz UUIGSRVZWQZZGW-UHFFFAOYSA-N 1 3 314.473 3.538 20 0 DHADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1C ZINC000482330907 1035084966 /nfs/dbraw/zinc/08/49/66/1035084966.db2.gz JDVPLIUTJIEGQF-IQUTYRLHSA-N 1 3 313.489 3.911 20 0 DHADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1C ZINC000482330907 1035084972 /nfs/dbraw/zinc/08/49/72/1035084972.db2.gz JDVPLIUTJIEGQF-IQUTYRLHSA-N 1 3 313.489 3.911 20 0 DHADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CCC[NH+]1CCCCC1 ZINC000482687289 1035161166 /nfs/dbraw/zinc/16/11/66/1035161166.db2.gz BRGOIKDUKIGRTP-SJLPKXTDSA-N 1 3 304.453 3.880 20 0 DHADHO CC[N@H+](CCCN1CCCC1)Cc1cc2ccncc2s1 ZINC000668166229 1035202093 /nfs/dbraw/zinc/20/20/93/1035202093.db2.gz VAJJPXYOCNVHNN-UHFFFAOYSA-N 1 3 303.475 3.604 20 0 DHADHO CC[N@@H+](CCCN1CCCC1)Cc1cc2ccncc2s1 ZINC000668166229 1035202100 /nfs/dbraw/zinc/20/21/00/1035202100.db2.gz VAJJPXYOCNVHNN-UHFFFAOYSA-N 1 3 303.475 3.604 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c(OC)c1 ZINC000483209750 1035241234 /nfs/dbraw/zinc/24/12/34/1035241234.db2.gz ZNDDKECYEYIRES-KSSFIOAISA-N 1 3 322.493 3.721 20 0 DHADHO COc1cccc2c1CC[C@H]2N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000483208648 1035241730 /nfs/dbraw/zinc/24/17/30/1035241730.db2.gz ZBAUBTDVAHICRJ-AEFFLSMTSA-N 1 3 304.478 3.639 20 0 DHADHO COC1(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCCC1 ZINC000483299429 1035254058 /nfs/dbraw/zinc/25/40/58/1035254058.db2.gz UYCNRIFYFPMGPL-QZTJIDSGSA-N 1 3 308.510 3.532 20 0 DHADHO COC1(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCCC1 ZINC000483299429 1035254063 /nfs/dbraw/zinc/25/40/63/1035254063.db2.gz UYCNRIFYFPMGPL-QZTJIDSGSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC001206292911 1035348519 /nfs/dbraw/zinc/34/85/19/1035348519.db2.gz FPUQKSCRAXNWOB-HNNXBMFYSA-N 1 3 301.261 3.944 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cccc(O)c1 ZINC000194971238 1035381566 /nfs/dbraw/zinc/38/15/66/1035381566.db2.gz IUBXHUWALFAYJS-FUHWJXTLSA-N 1 3 310.441 3.565 20 0 DHADHO [NH3+]CCc1ccc(CNCc2ccc(C(F)F)c(F)c2)cc1 ZINC000904354411 1035403739 /nfs/dbraw/zinc/40/37/39/1035403739.db2.gz XMNYYNHCRSMAQL-UHFFFAOYSA-N 1 3 308.347 3.554 20 0 DHADHO Cc1ccc(C)c(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904476971 1035418724 /nfs/dbraw/zinc/41/87/24/1035418724.db2.gz VQRGDWKUFKIRBJ-CTNGQTDRSA-N 1 3 322.452 3.649 20 0 DHADHO CCN(CC)CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001194133002 1035837075 /nfs/dbraw/zinc/83/70/75/1035837075.db2.gz OFFKAFROYSQKOH-VAMGGRTRSA-N 1 3 300.490 3.986 20 0 DHADHO CCN(CC)CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001194133002 1035837091 /nfs/dbraw/zinc/83/70/91/1035837091.db2.gz OFFKAFROYSQKOH-VAMGGRTRSA-N 1 3 300.490 3.986 20 0 DHADHO COc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1C(C)(C)C ZINC001181534335 1035935348 /nfs/dbraw/zinc/93/53/48/1035935348.db2.gz JTTQJUVDEWREOD-MAUKXSAKSA-N 1 3 318.505 3.765 20 0 DHADHO COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1C(C)(C)C ZINC001181534335 1035935360 /nfs/dbraw/zinc/93/53/60/1035935360.db2.gz JTTQJUVDEWREOD-MAUKXSAKSA-N 1 3 318.505 3.765 20 0 DHADHO C[NH+]1CCC(C)(CNCc2c(Cl)cccc2Cl)CC1 ZINC000227327421 1036070835 /nfs/dbraw/zinc/07/08/35/1036070835.db2.gz ABOGKNWGHNHROJ-UHFFFAOYSA-N 1 3 301.261 3.815 20 0 DHADHO CCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1F ZINC000494961313 1036145646 /nfs/dbraw/zinc/14/56/46/1036145646.db2.gz UKFIPZKEMVSSFM-GOEBONIOSA-N 1 3 308.441 3.529 20 0 DHADHO CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1F ZINC000494961313 1036145686 /nfs/dbraw/zinc/14/56/86/1036145686.db2.gz UKFIPZKEMVSSFM-GOEBONIOSA-N 1 3 308.441 3.529 20 0 DHADHO C[C@@H](NCCOC1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601699 1036384652 /nfs/dbraw/zinc/38/46/52/1036384652.db2.gz NBIFVNRUUXCIPN-MSOLQXFVSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@@H](NCCOC1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601699 1036384675 /nfs/dbraw/zinc/38/46/75/1036384675.db2.gz NBIFVNRUUXCIPN-MSOLQXFVSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@@H]([NH2+]CCOC1CCCCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000541601699 1036384698 /nfs/dbraw/zinc/38/46/98/1036384698.db2.gz NBIFVNRUUXCIPN-MSOLQXFVSA-N 1 3 322.537 3.968 20 0 DHADHO CN1CCCC[C@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC001182902240 1036480905 /nfs/dbraw/zinc/48/09/05/1036480905.db2.gz LACLIZCEBYRNRD-CQSZACIVSA-N 1 3 312.860 3.733 20 0 DHADHO CC(C)COc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206549621 1036490587 /nfs/dbraw/zinc/49/05/87/1036490587.db2.gz PGBXIWREGBPZRT-LJQANCHMSA-N 1 3 304.478 3.672 20 0 DHADHO C[C@H](C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)CN(C)C ZINC000491596329 1036608640 /nfs/dbraw/zinc/60/86/40/1036608640.db2.gz JJWBMXZBQNMRJZ-SNVBAGLBSA-N 1 3 308.775 3.646 20 0 DHADHO CCN(CC)CC[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)c1ccccc1 ZINC001184339708 1036818583 /nfs/dbraw/zinc/81/85/83/1036818583.db2.gz RTUCSZKEIXIPSG-HBFSDRIKSA-N 1 3 318.505 3.864 20 0 DHADHO C[C@H](C[NH2+]C[C@@H]1CCCN(CC2CC2)C1)Cc1ccccc1 ZINC000668818306 1036825186 /nfs/dbraw/zinc/82/51/86/1036825186.db2.gz GIUKJKXHEZKGKR-PXNSSMCTSA-N 1 3 300.490 3.577 20 0 DHADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCC(C)(c4ccccc4)CC3)[C@@H]2C1 ZINC001184386683 1036828005 /nfs/dbraw/zinc/82/80/05/1036828005.db2.gz CPMDVTHAKXVXKA-OLEYIWRESA-N 1 3 312.501 3.817 20 0 DHADHO C[N@@H+]1C[C@@H]2CN(CCCSc3ccccc3Cl)C[C@]2(C)C1 ZINC001198259782 1036977127 /nfs/dbraw/zinc/97/71/27/1036977127.db2.gz CJALBSPKGITCPD-PBHICJAKSA-N 1 3 324.921 3.706 20 0 DHADHO C[N@H+]1C[C@@H]2CN(CCCSc3ccccc3Cl)C[C@]2(C)C1 ZINC001198259782 1036977148 /nfs/dbraw/zinc/97/71/48/1036977148.db2.gz CJALBSPKGITCPD-PBHICJAKSA-N 1 3 324.921 3.706 20 0 DHADHO CC(C)N1CCC([N@H+](C)Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488352876 1036978119 /nfs/dbraw/zinc/97/81/19/1036978119.db2.gz TXGSJBMYBPNMJK-UHFFFAOYSA-N 1 3 303.425 3.612 20 0 DHADHO CC(C)N1CCC([N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488352876 1036978133 /nfs/dbraw/zinc/97/81/33/1036978133.db2.gz TXGSJBMYBPNMJK-UHFFFAOYSA-N 1 3 303.425 3.612 20 0 DHADHO c1ccc(C[N@H+]2CC[C@H](CN[C@H]3CCc4ccccc43)C2)cc1 ZINC000309696547 1037171683 /nfs/dbraw/zinc/17/16/83/1037171683.db2.gz FEHMCYWYSOPNOL-NQIIRXRSSA-N 1 3 306.453 3.786 20 0 DHADHO c1ccc(C[N@@H+]2CC[C@H](CN[C@H]3CCc4ccccc43)C2)cc1 ZINC000309696547 1037171685 /nfs/dbraw/zinc/17/16/85/1037171685.db2.gz FEHMCYWYSOPNOL-NQIIRXRSSA-N 1 3 306.453 3.786 20 0 DHADHO Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309730072 1037176703 /nfs/dbraw/zinc/17/67/03/1037176703.db2.gz RIFNGKINBNYEQU-RXVVDRJESA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccccc1CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309730072 1037176712 /nfs/dbraw/zinc/17/67/12/1037176712.db2.gz RIFNGKINBNYEQU-RXVVDRJESA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccccc1CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309730072 1037176720 /nfs/dbraw/zinc/17/67/20/1037176720.db2.gz RIFNGKINBNYEQU-RXVVDRJESA-N 1 3 308.469 3.995 20 0 DHADHO C[C@@H]([NH2+]CCOc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000393832522 1037233170 /nfs/dbraw/zinc/23/31/70/1037233170.db2.gz LBZXCVHUGKXOKT-QUCCMNQESA-N 1 3 324.468 3.566 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205913727 1037577380 /nfs/dbraw/zinc/57/73/80/1037577380.db2.gz JGLYOAKBKMRDCJ-STQMWFEESA-N 1 3 300.368 3.573 20 0 DHADHO c1ccc(CN2CC3(C2)CC[NH+](C[C@H]2CC=CCC2)CC3)cc1 ZINC001201421357 1037661147 /nfs/dbraw/zinc/66/11/47/1037661147.db2.gz AXJOAKUJSKTKPV-IBGZPJMESA-N 1 3 310.485 3.941 20 0 DHADHO CCCCCN1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001201727309 1037855533 /nfs/dbraw/zinc/85/55/33/1037855533.db2.gz QENVUMFDIJRWPY-UHFFFAOYSA-N 1 3 319.493 3.912 20 0 DHADHO CCCCCN1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001201727309 1037855549 /nfs/dbraw/zinc/85/55/49/1037855549.db2.gz QENVUMFDIJRWPY-UHFFFAOYSA-N 1 3 319.493 3.912 20 0 DHADHO CSCCC[N@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001201690061 1037861627 /nfs/dbraw/zinc/86/16/27/1037861627.db2.gz QGNRLFRRUSNABO-FHWLQOOXSA-N 1 3 318.530 3.850 20 0 DHADHO CSCCC[N@@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001201690061 1037861645 /nfs/dbraw/zinc/86/16/45/1037861645.db2.gz QGNRLFRRUSNABO-FHWLQOOXSA-N 1 3 318.530 3.850 20 0 DHADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)[C@@H](C)C2 ZINC000491057840 1037902403 /nfs/dbraw/zinc/90/24/03/1037902403.db2.gz XCZRZUQKCDJBAR-SQGPQFPESA-N 1 3 300.490 3.938 20 0 DHADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)[C@@H](C)C2 ZINC000491057840 1037902408 /nfs/dbraw/zinc/90/24/08/1037902408.db2.gz XCZRZUQKCDJBAR-SQGPQFPESA-N 1 3 300.490 3.938 20 0 DHADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@H+](C(C)C)C1)[C@@H](C)C2 ZINC000491057840 1037902412 /nfs/dbraw/zinc/90/24/12/1037902412.db2.gz XCZRZUQKCDJBAR-SQGPQFPESA-N 1 3 300.490 3.938 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000125742167 1037953225 /nfs/dbraw/zinc/95/32/25/1037953225.db2.gz YUOJGBPMYYIPPF-QUCCMNQESA-N 1 3 300.490 3.718 20 0 DHADHO CC(C)(C)CCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001202115299 1038043207 /nfs/dbraw/zinc/04/32/07/1038043207.db2.gz RLQPQDUSIKJILQ-RBUKOAKNSA-N 1 3 300.490 3.877 20 0 DHADHO CC(C)(C)CCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001202115299 1038043222 /nfs/dbraw/zinc/04/32/22/1038043222.db2.gz RLQPQDUSIKJILQ-RBUKOAKNSA-N 1 3 300.490 3.877 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]CC(C)C)cc1CN1CCCCC1 ZINC000775364295 1038277161 /nfs/dbraw/zinc/27/71/61/1038277161.db2.gz RLHLLEWQDCIKNC-MRXNPFEDSA-N 1 3 304.478 3.988 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC(C)(C)OC)ccc1OC ZINC000775399921 1038356249 /nfs/dbraw/zinc/35/62/49/1038356249.db2.gz GXSQBQSEWQFMJN-OAHLLOKOSA-N 1 3 322.493 3.613 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCSC2)ccc1OC ZINC000775412981 1038384329 /nfs/dbraw/zinc/38/43/29/1038384329.db2.gz SXLUNXVYBFTEOM-RHSMWYFYSA-N 1 3 322.518 3.693 20 0 DHADHO CCN(Cc1ccc(C)c(C)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168389776 1038470281 /nfs/dbraw/zinc/47/02/81/1038470281.db2.gz VTTLVDRQVMFVFY-UHFFFAOYSA-N 1 3 300.490 4.000 20 0 DHADHO C[C@H]([NH2+]CCNc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775513303 1038604581 /nfs/dbraw/zinc/60/45/81/1038604581.db2.gz WERFHAATHNBIID-AZUAARDMSA-N 1 3 323.484 3.599 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168405664 1039912718 /nfs/dbraw/zinc/91/27/18/1039912718.db2.gz TVLAFNCIQNBBKV-BEFAXECRSA-N 1 3 304.453 3.537 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1(C)C ZINC001168412171 1040900499 /nfs/dbraw/zinc/90/04/99/1040900499.db2.gz KVAGPSDOZFUZST-QGZVFWFLSA-N 1 3 318.480 3.924 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623503989 1041098208 /nfs/dbraw/zinc/09/82/08/1041098208.db2.gz WWSFJFZUMHVXLM-OAHLLOKOSA-N 1 3 314.395 3.976 20 0 DHADHO C[C@H]([NH3+])C1CCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC000110644037 194346014 /nfs/dbraw/zinc/34/60/14/194346014.db2.gz SRUYKEQGPYRHJA-RYUDHWBXSA-N 1 3 311.267 3.569 20 0 DHADHO Cc1cncc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000274419160 130233407 /nfs/dbraw/zinc/23/34/07/130233407.db2.gz TWMXLHHSTSIGGM-BJLQDIEVSA-N 1 3 323.484 3.951 20 0 DHADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000274972592 130278921 /nfs/dbraw/zinc/27/89/21/130278921.db2.gz YFDLWVRFXAWJHM-CABCVRRESA-N 1 3 309.885 3.898 20 0 DHADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000274972592 130278924 /nfs/dbraw/zinc/27/89/24/130278924.db2.gz YFDLWVRFXAWJHM-CABCVRRESA-N 1 3 309.885 3.898 20 0 DHADHO C[N@H+](CCCCCF)CCC1CCN(c2ccncc2)CC1 ZINC000284124154 131051181 /nfs/dbraw/zinc/05/11/81/131051181.db2.gz NUFFEWTVFRILAF-UHFFFAOYSA-N 1 3 307.457 3.760 20 0 DHADHO C[N@@H+](CCCCCF)CCC1CCN(c2ccncc2)CC1 ZINC000284124154 131051182 /nfs/dbraw/zinc/05/11/82/131051182.db2.gz NUFFEWTVFRILAF-UHFFFAOYSA-N 1 3 307.457 3.760 20 0 DHADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)CC1 ZINC000284443716 131081497 /nfs/dbraw/zinc/08/14/97/131081497.db2.gz SZDKORBXKYMUOA-IBGZPJMESA-N 1 3 314.473 3.582 20 0 DHADHO c1c2ccccc2oc1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297301113 132008603 /nfs/dbraw/zinc/00/86/03/132008603.db2.gz ABFMGFQJMLKMNC-UHFFFAOYSA-N 1 3 321.424 3.629 20 0 DHADHO c1ccc(C2CC([NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000298466248 132064413 /nfs/dbraw/zinc/06/44/13/132064413.db2.gz ORTNTHINWHVOEV-UHFFFAOYSA-N 1 3 307.441 3.586 20 0 DHADHO c1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298497452 132065236 /nfs/dbraw/zinc/06/52/36/132065236.db2.gz QFUCPNUVYAKBDJ-RTWAWAEBSA-N 1 3 321.468 3.976 20 0 DHADHO C[C@H](C[NH2+][C@H](C)CCc1ccc(F)cc1F)CN1CCCC1 ZINC000570649473 332791046 /nfs/dbraw/zinc/79/10/46/332791046.db2.gz ORMOIEQNVGFGFL-HUUCEWRRSA-N 1 3 310.432 3.607 20 0 DHADHO Cc1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C1CC1 ZINC000556584281 331717068 /nfs/dbraw/zinc/71/70/68/331717068.db2.gz SVDCZAXZPUAHAV-AABGKKOBSA-N 1 3 300.490 3.779 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000556872999 331746245 /nfs/dbraw/zinc/74/62/45/331746245.db2.gz SXAFTJJHCRIBJL-XYPHTWIQSA-N 1 3 310.432 3.748 20 0 DHADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)CC2 ZINC000317730345 332139928 /nfs/dbraw/zinc/13/99/28/332139928.db2.gz VRTRBUABNLGSQG-KXBFYZLASA-N 1 3 302.462 3.537 20 0 DHADHO FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000449433780 332185673 /nfs/dbraw/zinc/18/56/73/332185673.db2.gz NUOMFIXUKAXWNE-XQLPTFJDSA-N 1 3 304.400 3.714 20 0 DHADHO OCCC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000165601253 332739038 /nfs/dbraw/zinc/73/90/38/332739038.db2.gz AZBXVXIRUNWPIK-UHFFFAOYSA-N 1 3 322.537 3.706 20 0 DHADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2csc3ccccc23)C1 ZINC000580259497 333043360 /nfs/dbraw/zinc/04/33/60/333043360.db2.gz KIWZFPZWDDUDFF-WMLDXEAASA-N 1 3 300.471 3.817 20 0 DHADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2csc3ccccc23)C1 ZINC000580259497 333043361 /nfs/dbraw/zinc/04/33/61/333043361.db2.gz KIWZFPZWDDUDFF-WMLDXEAASA-N 1 3 300.471 3.817 20 0 DHADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2csc3ccccc23)C1 ZINC000580259497 333043362 /nfs/dbraw/zinc/04/33/62/333043362.db2.gz KIWZFPZWDDUDFF-WMLDXEAASA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2csc3ccccc23)C1 ZINC000580259497 333043363 /nfs/dbraw/zinc/04/33/63/333043363.db2.gz KIWZFPZWDDUDFF-WMLDXEAASA-N 1 3 300.471 3.817 20 0 DHADHO CC[C@H]1CCCC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000181751766 333064307 /nfs/dbraw/zinc/06/43/07/333064307.db2.gz FUMMVBUIVZMECW-PKOBYXMFSA-N 1 3 301.478 3.856 20 0 DHADHO CCCCOc1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000314037616 333083499 /nfs/dbraw/zinc/08/34/99/333083499.db2.gz DHDLIZWYPUCAMJ-UHFFFAOYSA-N 1 3 304.478 3.831 20 0 DHADHO COc1ccc([C@@H](NCCCC[NH+](C)C)c2ccccc2)cc1 ZINC000390628348 333307965 /nfs/dbraw/zinc/30/79/65/333307965.db2.gz ILXUCIWAXZWIBP-FQEVSTJZSA-N 1 3 312.457 3.716 20 0 DHADHO CCC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000390708855 333317096 /nfs/dbraw/zinc/31/70/96/333317096.db2.gz WBIKTHMBVOWCGU-RAFMOHDBSA-N 1 3 316.489 3.587 20 0 DHADHO CCC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000390708855 333317098 /nfs/dbraw/zinc/31/70/98/333317098.db2.gz WBIKTHMBVOWCGU-RAFMOHDBSA-N 1 3 316.489 3.587 20 0 DHADHO CC(C)SCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000390738825 333322393 /nfs/dbraw/zinc/32/23/93/333322393.db2.gz AKMGLLFLINTSAA-GBESFXJTSA-N 1 3 318.530 3.628 20 0 DHADHO CN(CCC[NH2+][C@@H]1CCCC12CCOCC2)C1CCCCC1 ZINC000319620754 333323650 /nfs/dbraw/zinc/32/36/50/333323650.db2.gz LHSPQMRGMZOCTM-GOSISDBHSA-N 1 3 308.510 3.580 20 0 DHADHO COC[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C(C)C ZINC000390785364 333393446 /nfs/dbraw/zinc/39/34/46/333393446.db2.gz VZRPVQDUCLZCJZ-PMACEKPBSA-N 1 3 318.505 3.549 20 0 DHADHO c1ccc(CN2CCCC[C@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000390818303 333396086 /nfs/dbraw/zinc/39/60/86/333396086.db2.gz QMUWBHDBKIBNCC-GOSISDBHSA-N 1 3 318.530 3.774 20 0 DHADHO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000414539974 334012918 /nfs/dbraw/zinc/01/29/18/334012918.db2.gz SZLKLRLQLOHTJQ-QZTJIDSGSA-N 1 3 301.478 3.855 20 0 DHADHO COc1ccccc1-c1ccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414666988 334062294 /nfs/dbraw/zinc/06/22/94/334062294.db2.gz XFPVTZUFKBQJHB-VQIMIIECSA-N 1 3 324.468 3.921 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2cn(C(C)C)nc2C)CC1 ZINC000343529927 335175225 /nfs/dbraw/zinc/17/52/25/335175225.db2.gz DUICNCRDTNHAHE-UHFFFAOYSA-N 1 3 320.525 3.716 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2cn(C(C)C)nc2C)CC1 ZINC000343529927 335175227 /nfs/dbraw/zinc/17/52/27/335175227.db2.gz DUICNCRDTNHAHE-UHFFFAOYSA-N 1 3 320.525 3.716 20 0 DHADHO CCN(Cc1ccc2cc(OC)ccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000414717297 334073282 /nfs/dbraw/zinc/07/32/82/334073282.db2.gz POSQXHYPCSNYKY-IBGZPJMESA-N 1 3 312.457 3.812 20 0 DHADHO C[C@@H]1CCCC[C@H]1CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000414720462 334074284 /nfs/dbraw/zinc/07/42/84/334074284.db2.gz YQTTXRFCKSTISI-HBFSDRIKSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@@H](CN(C)[C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414731109 334075378 /nfs/dbraw/zinc/07/53/78/334075378.db2.gz FDXUGRVMASILEK-XJKSGUPXSA-N 1 3 314.395 3.883 20 0 DHADHO C[C@@H](C[N@H+](C)[C@@H]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414731109 334075379 /nfs/dbraw/zinc/07/53/79/334075379.db2.gz FDXUGRVMASILEK-XJKSGUPXSA-N 1 3 314.395 3.883 20 0 DHADHO C[C@@H](C[N@@H+](C)[C@@H]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414731109 334075381 /nfs/dbraw/zinc/07/53/81/334075381.db2.gz FDXUGRVMASILEK-XJKSGUPXSA-N 1 3 314.395 3.883 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000343507508 335172564 /nfs/dbraw/zinc/17/25/64/335172564.db2.gz YASTWXWIIZKBME-XWSJACJDSA-N 1 3 313.489 3.633 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000343507508 335172565 /nfs/dbraw/zinc/17/25/65/335172565.db2.gz YASTWXWIIZKBME-XWSJACJDSA-N 1 3 313.489 3.633 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000343507508 335172567 /nfs/dbraw/zinc/17/25/67/335172567.db2.gz YASTWXWIIZKBME-XWSJACJDSA-N 1 3 313.489 3.633 20 0 DHADHO Cc1cccc(-c2n[nH]cc2CNCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414808878 334104913 /nfs/dbraw/zinc/10/49/13/334104913.db2.gz LDKPTVCSHOOOCO-OAHLLOKOSA-N 1 3 320.440 3.695 20 0 DHADHO CCCC[C@H](CN)[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000414818628 334107963 /nfs/dbraw/zinc/10/79/63/334107963.db2.gz WGWYHYCMAZNJNB-OAHLLOKOSA-N 1 3 303.475 3.726 20 0 DHADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000414835299 334111379 /nfs/dbraw/zinc/11/13/79/334111379.db2.gz IINCLLHSWIZELJ-SNRMKQJTSA-N 1 3 304.478 3.555 20 0 DHADHO C[NH2+]C[C@H](C)CN[C@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000414835299 334111380 /nfs/dbraw/zinc/11/13/80/334111380.db2.gz IINCLLHSWIZELJ-SNRMKQJTSA-N 1 3 304.478 3.555 20 0 DHADHO C[C@@H](CCc1ccc(Cl)s1)NCC1([NH3+])CCCCC1 ZINC000414837384 334111806 /nfs/dbraw/zinc/11/18/06/334111806.db2.gz HCWUVWSEBWVAJT-LBPRGKRZSA-N 1 3 300.899 3.974 20 0 DHADHO COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CCN(CC(C)C)CC1 ZINC000281369355 334125338 /nfs/dbraw/zinc/12/53/38/334125338.db2.gz WNINZZCVHLDQOQ-GOSISDBHSA-N 1 3 320.452 3.532 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c(C)c1OC ZINC000286248168 334152377 /nfs/dbraw/zinc/15/23/77/334152377.db2.gz UGTFFVBSHUBCGV-XHSDSOJGSA-N 1 3 320.477 3.536 20 0 DHADHO C[C@H](CNCC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000414909630 334172040 /nfs/dbraw/zinc/17/20/40/334172040.db2.gz TXLDMKSSQHMHNN-IUODEOHRSA-N 1 3 300.368 3.541 20 0 DHADHO C[N@H+]1CC=C(CN[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000366695438 334191958 /nfs/dbraw/zinc/19/19/58/334191958.db2.gz MKNCWOLKLRQVGU-GOSISDBHSA-N 1 3 312.457 3.675 20 0 DHADHO C[N@@H+]1CC=C(CN[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000366695438 334191959 /nfs/dbraw/zinc/19/19/59/334191959.db2.gz MKNCWOLKLRQVGU-GOSISDBHSA-N 1 3 312.457 3.675 20 0 DHADHO CC(C)O[C@@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)c1ccccc1 ZINC000292805353 334192641 /nfs/dbraw/zinc/19/26/41/334192641.db2.gz LAZNJKVNYHBTPU-MOPGFXCFSA-N 1 3 304.478 3.569 20 0 DHADHO CC(C)O[C@@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)c1ccccc1 ZINC000292805353 334192642 /nfs/dbraw/zinc/19/26/42/334192642.db2.gz LAZNJKVNYHBTPU-MOPGFXCFSA-N 1 3 304.478 3.569 20 0 DHADHO N[C@H]1CCC[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000414932181 334195265 /nfs/dbraw/zinc/19/52/65/334195265.db2.gz VMQUTVQFHLJLDD-NWDGAFQWSA-N 1 3 301.261 3.786 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NCCCc2c(Cl)cccc2Cl)C1 ZINC000414932181 334195266 /nfs/dbraw/zinc/19/52/66/334195266.db2.gz VMQUTVQFHLJLDD-NWDGAFQWSA-N 1 3 301.261 3.786 20 0 DHADHO C[C@H]1CNCC[C@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414943996 334203439 /nfs/dbraw/zinc/20/34/39/334203439.db2.gz OTOCQOMHOFHEQZ-PGRDOPGGSA-N 1 3 322.496 3.676 20 0 DHADHO Fc1ccccc1-c1ccc(CNCCC[C@H]2CCC[NH2+]2)o1 ZINC000414962280 334213052 /nfs/dbraw/zinc/21/30/52/334213052.db2.gz CBCRUBNYERNGPU-AWEZNQCLSA-N 1 3 302.393 3.708 20 0 DHADHO CC(C)[C@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000415085507 334274137 /nfs/dbraw/zinc/27/41/37/334274137.db2.gz QHXOEKRURJBQRS-NEWSRXKRSA-N 1 3 303.494 3.722 20 0 DHADHO COc1cc(Cl)c(CNC[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414996212 334235263 /nfs/dbraw/zinc/23/52/63/334235263.db2.gz GGYDWLXGYOGUSN-PWSUYJOCSA-N 1 3 317.260 3.609 20 0 DHADHO C[C@@H](CCCC[NH3+])NCc1cc(C(F)(F)F)ccc1Cl ZINC000415008175 334250836 /nfs/dbraw/zinc/25/08/36/334250836.db2.gz CMELSERARQDDHE-JTQLQIEISA-N 1 3 308.775 3.966 20 0 DHADHO [NH3+]C[C@H]1CC[C@H](CNCc2csc(-c3ccsc3)n2)CC1 ZINC000415021740 334259698 /nfs/dbraw/zinc/25/96/98/334259698.db2.gz ICSKHWXVRFDTHK-JOCQHMNTSA-N 1 3 321.515 3.726 20 0 DHADHO CC(C)c1ncc(CN[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000415059264 334262069 /nfs/dbraw/zinc/26/20/69/334262069.db2.gz UZQPGOZGRBANCN-INIZCTEOSA-N 1 3 303.475 3.836 20 0 DHADHO c1sc2ccccc2c1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415089872 334279934 /nfs/dbraw/zinc/27/99/34/334279934.db2.gz YIIFKFVYIKWVDZ-KZNAEPCWSA-N 1 3 314.498 3.954 20 0 DHADHO COc1cccc2c1CC[C@@H]2N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415092211 334280315 /nfs/dbraw/zinc/28/03/15/334280315.db2.gz SHIOKJWUSXSEFY-LSTHTHJFSA-N 1 3 322.452 3.765 20 0 DHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415115492 334283618 /nfs/dbraw/zinc/28/36/18/334283618.db2.gz YLUGCBLTKCFPRC-LEAZDLGRSA-N 1 3 316.489 3.665 20 0 DHADHO C[C@@H](CN[C@@H]1CCC[NH2+][C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000415141945 334285972 /nfs/dbraw/zinc/28/59/72/334285972.db2.gz OSFFEASNJUPSSG-YWPYICTPSA-N 1 3 300.368 3.539 20 0 DHADHO CC[C@H]([NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1)C(C)C ZINC000531949668 334303934 /nfs/dbraw/zinc/30/39/34/334303934.db2.gz RYQQFJILZPQFED-FQEVSTJZSA-N 1 3 318.505 3.931 20 0 DHADHO Clc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000534973438 334351262 /nfs/dbraw/zinc/35/12/62/334351262.db2.gz ROXKLNUBTHRYTK-ACJLOTCBSA-N 1 3 304.865 3.791 20 0 DHADHO Clc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000534973438 334351264 /nfs/dbraw/zinc/35/12/64/334351264.db2.gz ROXKLNUBTHRYTK-ACJLOTCBSA-N 1 3 304.865 3.791 20 0 DHADHO Cc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000443961852 338464492 /nfs/dbraw/zinc/46/44/92/338464492.db2.gz FOBZUUVQUPKSPI-HZPDHXFCSA-N 1 3 324.896 3.627 20 0 DHADHO CC(C)c1cccc2c1OCCC[C@@H]2NCC1=CC[N@H+](C)CC1 ZINC000344335452 335241780 /nfs/dbraw/zinc/24/17/80/335241780.db2.gz TYEYGOKNNQEITB-IBGZPJMESA-N 1 3 314.473 3.875 20 0 DHADHO CC(C)c1cccc2c1OCCC[C@@H]2NCC1=CC[N@@H+](C)CC1 ZINC000344335452 335241782 /nfs/dbraw/zinc/24/17/82/335241782.db2.gz TYEYGOKNNQEITB-IBGZPJMESA-N 1 3 314.473 3.875 20 0 DHADHO C[C@@H](c1nc2ccccc2o1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863731 335247983 /nfs/dbraw/zinc/24/79/83/335247983.db2.gz HHSODGFJAQATKI-HNNXBMFYSA-N 1 3 313.445 3.697 20 0 DHADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1oc2ccccc2c1C ZINC000165966222 335294781 /nfs/dbraw/zinc/29/47/81/335294781.db2.gz QBVLGRNOYBATBJ-JKSUJKDBSA-N 1 3 318.461 3.749 20 0 DHADHO Fc1ccc2oc(CN3CCC([C@H]4CCC[NH2+]4)CC3)cc2c1 ZINC000347114226 335466914 /nfs/dbraw/zinc/46/69/14/335466914.db2.gz SUGCPAMBNPMBSS-QGZVFWFLSA-N 1 3 302.393 3.536 20 0 DHADHO C[C@@H]([NH2+]CCC1(F)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000348322358 335576903 /nfs/dbraw/zinc/57/69/03/335576903.db2.gz IMOSQSYLFIAPGW-OAHLLOKOSA-N 1 3 308.441 3.560 20 0 DHADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cccc(OC(F)(F)F)c1 ZINC000519402085 335844257 /nfs/dbraw/zinc/84/42/57/335844257.db2.gz XIGYHIGPTSNPPR-LBPRGKRZSA-N 1 3 324.346 3.895 20 0 DHADHO C[NH+]1CCC2(CCCN2Cc2cc3cc(F)ccc3o2)CC1 ZINC000351494440 336038292 /nfs/dbraw/zinc/03/82/92/336038292.db2.gz NQAHIWMIVYUCHF-UHFFFAOYSA-N 1 3 302.393 3.632 20 0 DHADHO CN1CCC2(CCC[N@@H+]2Cc2cc3cc(F)ccc3o2)CC1 ZINC000351494440 336038293 /nfs/dbraw/zinc/03/82/93/336038293.db2.gz NQAHIWMIVYUCHF-UHFFFAOYSA-N 1 3 302.393 3.632 20 0 DHADHO CN1CCC2(CCC[N@H+]2Cc2cc3cc(F)ccc3o2)CC1 ZINC000351494440 336038295 /nfs/dbraw/zinc/03/82/95/336038295.db2.gz NQAHIWMIVYUCHF-UHFFFAOYSA-N 1 3 302.393 3.632 20 0 DHADHO CN1CCC2(CCC[N@@H+]2Cc2cccc(-c3ccncc3)c2)CC1 ZINC000351494481 336038466 /nfs/dbraw/zinc/03/84/66/336038466.db2.gz ODRYDEXVZOOMHF-UHFFFAOYSA-N 1 3 321.468 3.809 20 0 DHADHO CN1CCC2(CCC[N@H+]2Cc2cccc(-c3ccncc3)c2)CC1 ZINC000351494481 336038468 /nfs/dbraw/zinc/03/84/68/336038468.db2.gz ODRYDEXVZOOMHF-UHFFFAOYSA-N 1 3 321.468 3.809 20 0 DHADHO Cc1cc(N2CCC(C[NH+]3CCCC3)CC2)c2ccccc2n1 ZINC000301354299 336302179 /nfs/dbraw/zinc/30/21/79/336302179.db2.gz JWMNITORYPNSCA-UHFFFAOYSA-N 1 3 309.457 3.855 20 0 DHADHO CCc1c(C)nc2ccccc2c1N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000302028766 336344048 /nfs/dbraw/zinc/34/40/48/336344048.db2.gz JDYWLTICYILWBC-INIZCTEOSA-N 1 3 311.473 3.884 20 0 DHADHO CCc1c(C)nc2ccccc2c1N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000302028766 336344049 /nfs/dbraw/zinc/34/40/49/336344049.db2.gz JDYWLTICYILWBC-INIZCTEOSA-N 1 3 311.473 3.884 20 0 DHADHO CCc1c(C)nc2ccccc2c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000302057727 336346123 /nfs/dbraw/zinc/34/61/23/336346123.db2.gz QZZJJTJYOOAYLQ-CVEARBPZSA-N 1 3 309.457 3.779 20 0 DHADHO CCc1c(C)nc2ccccc2c1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000302057727 336346124 /nfs/dbraw/zinc/34/61/24/336346124.db2.gz QZZJJTJYOOAYLQ-CVEARBPZSA-N 1 3 309.457 3.779 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000514104546 336352250 /nfs/dbraw/zinc/35/22/50/336352250.db2.gz KSOUJFIQRDMXHU-HRCADAONSA-N 1 3 312.379 3.668 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000514104546 336352251 /nfs/dbraw/zinc/35/22/51/336352251.db2.gz KSOUJFIQRDMXHU-HRCADAONSA-N 1 3 312.379 3.668 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000514104546 336352252 /nfs/dbraw/zinc/35/22/52/336352252.db2.gz KSOUJFIQRDMXHU-HRCADAONSA-N 1 3 312.379 3.668 20 0 DHADHO COC[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)C(C)C ZINC000357838183 336600918 /nfs/dbraw/zinc/60/09/18/336600918.db2.gz WBWFNLWBYZFMLB-FQEVSTJZSA-N 1 3 318.505 3.679 20 0 DHADHO C[C@@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCO[C@@H]1C1CC1 ZINC000372097499 336921999 /nfs/dbraw/zinc/92/19/99/336921999.db2.gz ZUUSHDFMSYNQBZ-UXHICEINSA-N 1 3 320.521 3.578 20 0 DHADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000376081328 337026530 /nfs/dbraw/zinc/02/65/30/337026530.db2.gz JOTVSEOFHJPFQZ-FPMFFAJLSA-N 1 3 310.894 3.745 20 0 DHADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000377121616 337047284 /nfs/dbraw/zinc/04/72/84/337047284.db2.gz WJNLARLHTSEXDC-TZIWHRDSSA-N 1 3 323.484 3.959 20 0 DHADHO C[C@@H](CCNC1CC(c2ccccn2)C1)[N@H+](C)Cc1ccccc1 ZINC000377653407 337057696 /nfs/dbraw/zinc/05/76/96/337057696.db2.gz RSHVREFGLWLNSQ-KKXNLOMOSA-N 1 3 323.484 3.828 20 0 DHADHO C[C@@H](CCNC1CC(c2ccccn2)C1)[N@@H+](C)Cc1ccccc1 ZINC000377653407 337057697 /nfs/dbraw/zinc/05/76/97/337057697.db2.gz RSHVREFGLWLNSQ-KKXNLOMOSA-N 1 3 323.484 3.828 20 0 DHADHO Cc1ccc(F)cc1C[N@@H+](C)C1CCN(c2ccncc2)CC1 ZINC000377699335 337058956 /nfs/dbraw/zinc/05/89/56/337058956.db2.gz LXJGCGMTEAAOQE-UHFFFAOYSA-N 1 3 313.420 3.630 20 0 DHADHO Cc1ccc(F)cc1C[N@H+](C)C1CCN(c2ccncc2)CC1 ZINC000377699335 337058957 /nfs/dbraw/zinc/05/89/57/337058957.db2.gz LXJGCGMTEAAOQE-UHFFFAOYSA-N 1 3 313.420 3.630 20 0 DHADHO C[N@H+](Cc1cccc2[nH]ccc21)C1CCN(c2ccncc2)CC1 ZINC000377706713 337059222 /nfs/dbraw/zinc/05/92/22/337059222.db2.gz VLMSPIRUMIKMQA-UHFFFAOYSA-N 1 3 320.440 3.664 20 0 DHADHO C[N@@H+](Cc1cccc2[nH]ccc21)C1CCN(c2ccncc2)CC1 ZINC000377706713 337059223 /nfs/dbraw/zinc/05/92/23/337059223.db2.gz VLMSPIRUMIKMQA-UHFFFAOYSA-N 1 3 320.440 3.664 20 0 DHADHO Cc1ccc(CNC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000377759335 337060208 /nfs/dbraw/zinc/06/02/08/337060208.db2.gz GCVUEEQCAHJBFU-FUHWJXTLSA-N 1 3 300.471 3.839 20 0 DHADHO Cc1ccc(CNC[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000377759335 337060209 /nfs/dbraw/zinc/06/02/09/337060209.db2.gz GCVUEEQCAHJBFU-FUHWJXTLSA-N 1 3 300.471 3.839 20 0 DHADHO C[N@@H+]1CC[C@H](CNCc2cccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000377763567 337060441 /nfs/dbraw/zinc/06/04/41/337060441.db2.gz RILJHZDSKWUFGC-NQIIRXRSSA-N 1 3 319.452 3.951 20 0 DHADHO C[N@H+]1CC[C@H](CNCc2cccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000377763567 337060442 /nfs/dbraw/zinc/06/04/42/337060442.db2.gz RILJHZDSKWUFGC-NQIIRXRSSA-N 1 3 319.452 3.951 20 0 DHADHO Cc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(C)s1 ZINC000178034423 337159918 /nfs/dbraw/zinc/15/99/18/337159918.db2.gz PXHBJUBTPCZTIH-FMKPAKJESA-N 1 3 324.534 3.905 20 0 DHADHO C[NH+]1CCC(CNCc2ccc(Oc3ccccc3)o2)CC1 ZINC000180879968 337178347 /nfs/dbraw/zinc/17/83/47/337178347.db2.gz MWGVQOXITSRBHL-UHFFFAOYSA-N 1 3 300.402 3.503 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1 ZINC000398000928 337303471 /nfs/dbraw/zinc/30/34/71/337303471.db2.gz VZTUWMXLZCSXJH-NQIIRXRSSA-N 1 3 324.468 3.566 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1 ZINC000398000928 337303472 /nfs/dbraw/zinc/30/34/72/337303472.db2.gz VZTUWMXLZCSXJH-NQIIRXRSSA-N 1 3 324.468 3.566 20 0 DHADHO CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccccc1Cl ZINC000192931810 337308597 /nfs/dbraw/zinc/30/85/97/337308597.db2.gz LMTJOKAEJFRXEA-UYTSQGDYSA-N 1 3 322.880 3.712 20 0 DHADHO CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccccc1Cl ZINC000192931810 337308598 /nfs/dbraw/zinc/30/85/98/337308598.db2.gz LMTJOKAEJFRXEA-UYTSQGDYSA-N 1 3 322.880 3.712 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000422719542 337684079 /nfs/dbraw/zinc/68/40/79/337684079.db2.gz YQANPIXCQGYVSH-GOEBONIOSA-N 1 3 311.473 3.866 20 0 DHADHO CCc1ccc([C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)N(C)C)cc1 ZINC000422734974 337684526 /nfs/dbraw/zinc/68/45/26/337684526.db2.gz VFRAYZZBQWXURU-NJYVYQBISA-N 1 3 323.484 3.586 20 0 DHADHO c1sc2ccccc2c1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422763427 337685531 /nfs/dbraw/zinc/68/55/31/337685531.db2.gz OPNKBILBKMHJKB-BRWVUGGUSA-N 1 3 300.471 3.912 20 0 DHADHO c1ccc(SCCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422764933 337685614 /nfs/dbraw/zinc/68/56/14/337685614.db2.gz VOQAPXBNRILOCD-KZNAEPCWSA-N 1 3 304.503 3.679 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)N[C@@H]3CCC[C@@H]3C[NH3+])cc2)cs1 ZINC000422800534 337687111 /nfs/dbraw/zinc/68/71/11/337687111.db2.gz CCPDXXKIVGSQEP-JCURWCKSSA-N 1 3 315.486 3.897 20 0 DHADHO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000422815451 337687767 /nfs/dbraw/zinc/68/77/67/337687767.db2.gz BTJRECLWVNHMOW-XNRPHZJLSA-N 1 3 307.507 3.564 20 0 DHADHO CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C1CCCC1 ZINC000422817355 337687999 /nfs/dbraw/zinc/68/79/99/337687999.db2.gz CXTMBNOWINAARP-MTQWCTHYSA-N 1 3 322.537 3.872 20 0 DHADHO CSc1cc(C)ccc1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422875233 337689520 /nfs/dbraw/zinc/68/95/20/337689520.db2.gz OPDJRZKRKPHQQW-ZDUSSCGKSA-N 1 3 315.486 3.730 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422904243 337690510 /nfs/dbraw/zinc/69/05/10/337690510.db2.gz GMLIMJHTJHWVHZ-DOTOQJQBSA-N 1 3 304.503 3.809 20 0 DHADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422904246 337690541 /nfs/dbraw/zinc/69/05/41/337690541.db2.gz GMLIMJHTJHWVHZ-WBVHZDCISA-N 1 3 304.503 3.809 20 0 DHADHO CC[C@H](CN[C@H](C)C[C@@H](C)[NH3+])Oc1ccccc1C(F)(F)F ZINC000422917450 337691343 /nfs/dbraw/zinc/69/13/43/337691343.db2.gz DXJCYLDVWVWHIC-JHJVBQTASA-N 1 3 318.383 3.578 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422957292 337694915 /nfs/dbraw/zinc/69/49/15/337694915.db2.gz NCUYXMXCFSITKY-NWDGAFQWSA-N 1 3 300.368 3.800 20 0 DHADHO CCCNc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423069354 337698112 /nfs/dbraw/zinc/69/81/12/337698112.db2.gz AUQZDYLODLUTRB-IPMKNSEASA-N 1 3 301.478 3.519 20 0 DHADHO CCCNc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423080683 337698609 /nfs/dbraw/zinc/69/86/09/337698609.db2.gz ZVOMUMDISXSOGH-SLFFLAALSA-N 1 3 315.505 3.909 20 0 DHADHO Cc1cccc(OCCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000423085069 337698717 /nfs/dbraw/zinc/69/87/17/337698717.db2.gz JFRBTRYHCNTUGK-OTWHNJEPSA-N 1 3 316.489 3.583 20 0 DHADHO Fc1cccc([C@H]2C[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000423093129 337698948 /nfs/dbraw/zinc/69/89/48/337698948.db2.gz FWOUYTIMSLDEQD-ONSCTEFMSA-N 1 3 316.464 3.972 20 0 DHADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095112 337699103 /nfs/dbraw/zinc/69/91/03/337699103.db2.gz DHQPTUTVDUIUQJ-QROZZAMVSA-N 1 3 310.844 3.832 20 0 DHADHO CC(C)c1ccc(O[C@H](C)CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423111589 337700182 /nfs/dbraw/zinc/70/01/82/337700182.db2.gz QQNLZRNOLKHCKT-FCEWJHQRSA-N 1 3 304.478 3.555 20 0 DHADHO Cc1cc2cc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423115794 337700249 /nfs/dbraw/zinc/70/02/49/337700249.db2.gz YSCAIEXTMBQHRR-YZGWKJHDSA-N 1 3 311.473 3.877 20 0 DHADHO COc1ccc2cc([C@H](C)N[C@H](C)[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000423212376 337704507 /nfs/dbraw/zinc/70/45/07/337704507.db2.gz IJAMLWVLNBUNRT-QMTMVMCOSA-N 1 3 312.457 3.887 20 0 DHADHO COc1ccc([C@@H](CCC(C)C)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423219092 337705150 /nfs/dbraw/zinc/70/51/50/337705150.db2.gz WBLXDEPKUMJSEN-VQIMIIECSA-N 1 3 304.478 3.762 20 0 DHADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423256042 337707762 /nfs/dbraw/zinc/70/77/62/337707762.db2.gz DGFUTHZCHKHOPH-GJZGRUSLSA-N 1 3 315.486 3.850 20 0 DHADHO COc1cc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)ccc1F ZINC000423293851 337710573 /nfs/dbraw/zinc/71/05/73/337710573.db2.gz SFYKVNYJOQTTIJ-OLZOCXBDSA-N 1 3 302.393 3.705 20 0 DHADHO C[C@H](C[NH3+])CN[C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423300605 337711217 /nfs/dbraw/zinc/71/12/17/337711217.db2.gz SASVODMWLFRKKG-BXUZGUMPSA-N 1 3 319.449 3.511 20 0 DHADHO Clc1ccc([C@H](NCC2=CC[NH2+]CC2)C2CC2)cc1Cl ZINC000423330226 337712252 /nfs/dbraw/zinc/71/22/52/337712252.db2.gz BPLSHZUODIMRJC-MRXNPFEDSA-N 1 3 311.256 3.954 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C12CCCCC2 ZINC000423405699 337715994 /nfs/dbraw/zinc/71/59/94/337715994.db2.gz YIFNAVSYEUONAT-RBUKOAKNSA-N 1 3 314.473 3.507 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)c(F)c1 ZINC000423395767 337718759 /nfs/dbraw/zinc/71/87/59/337718759.db2.gz RXFICSUUXKXOQO-MVWJERBFSA-N 1 3 315.230 3.509 20 0 DHADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1nc(-c2ccccc2)cs1 ZINC000423473298 337721323 /nfs/dbraw/zinc/72/13/23/337721323.db2.gz GRVRVCGYWHIZLW-GDBMZVCRSA-N 1 3 315.486 3.993 20 0 DHADHO Cc1cccc([C@H](N[C@H]2CC[C@@H](C[NH3+])C2)c2cccc(F)c2)c1 ZINC000423509261 337723809 /nfs/dbraw/zinc/72/38/09/337723809.db2.gz ONLYJGMTPNWWGE-XPGWFJOJSA-N 1 3 312.432 3.941 20 0 DHADHO CCC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000426345725 338028166 /nfs/dbraw/zinc/02/81/66/338028166.db2.gz ARAJPIBPIPOZOG-UHFFFAOYSA-N 1 3 308.510 3.580 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCSCc2ccccc2)C[C@@H]1C ZINC000430758988 338113962 /nfs/dbraw/zinc/11/39/62/338113962.db2.gz FATSQYFTXNAJSE-WMZOPIPTSA-N 1 3 306.519 3.724 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCSCc2ccccc2)C[C@@H]1C ZINC000430758988 338113963 /nfs/dbraw/zinc/11/39/63/338113963.db2.gz FATSQYFTXNAJSE-WMZOPIPTSA-N 1 3 306.519 3.724 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCOc3c(C(C)C)cccc32)C1 ZINC000431347773 338128848 /nfs/dbraw/zinc/12/88/48/338128848.db2.gz HNGMHDSCZIYECL-LPHOPBHVSA-N 1 3 316.489 3.955 20 0 DHADHO C[NH+]1CCC(CCNCc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432249361 338150748 /nfs/dbraw/zinc/15/07/48/338150748.db2.gz FAPWVMORBSTZJY-UHFFFAOYSA-N 1 3 319.251 3.954 20 0 DHADHO CCC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccsc1 ZINC000432419195 338155793 /nfs/dbraw/zinc/15/57/93/338155793.db2.gz ZVIVDRAMAWHXBG-DOTOQJQBSA-N 1 3 310.507 3.680 20 0 DHADHO CCC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccsc1 ZINC000432419195 338155794 /nfs/dbraw/zinc/15/57/94/338155794.db2.gz ZVIVDRAMAWHXBG-DOTOQJQBSA-N 1 3 310.507 3.680 20 0 DHADHO c1csc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435425660 338239808 /nfs/dbraw/zinc/23/98/08/338239808.db2.gz DZQPMHJNSTZWTR-MRXNPFEDSA-N 1 3 318.511 3.954 20 0 DHADHO COCCC1(C[NH2+]CCCN2CCC(C)CC2)CCCCC1 ZINC000436270775 338264832 /nfs/dbraw/zinc/26/48/32/338264832.db2.gz BKBZDMGFOADWKW-UHFFFAOYSA-N 1 3 310.526 3.685 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436274961 338265068 /nfs/dbraw/zinc/26/50/68/338265068.db2.gz NXNZYOHNCKHSCO-VAMGGRTRSA-N 1 3 300.490 3.719 20 0 DHADHO COCCC1(C[NH2+]CC[C@H](C)N2CCCCC2)CCCCC1 ZINC000436422141 338272219 /nfs/dbraw/zinc/27/22/19/338272219.db2.gz YORBWYMOFLEGLO-SFHVURJKSA-N 1 3 310.526 3.828 20 0 DHADHO COc1ccc(CN2CCC(C[NH2+]CCC(C)(C)C)CC2)cc1 ZINC000438213814 338336881 /nfs/dbraw/zinc/33/68/81/338336881.db2.gz JFYBDPSAZSJAEC-UHFFFAOYSA-N 1 3 318.505 3.933 20 0 DHADHO CC(C)[C@H](CC(F)(F)F)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459500529 339032859 /nfs/dbraw/zinc/03/28/59/339032859.db2.gz CGFAUQUPWYJWNJ-HNNXBMFYSA-N 1 3 315.383 3.617 20 0 DHADHO CN1CCC(Oc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)CC1 ZINC000459526516 339034122 /nfs/dbraw/zinc/03/41/22/339034122.db2.gz ONXQBKBPRMSTLM-UHFFFAOYSA-N 1 3 314.473 3.582 20 0 DHADHO C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1C ZINC000459537482 339034659 /nfs/dbraw/zinc/03/46/59/339034659.db2.gz YDSFFNRNFRFLED-ZACQAIPSSA-N 1 3 301.478 3.712 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2cnc(-c3cccs3)s2)C1 ZINC000459723733 339044448 /nfs/dbraw/zinc/04/44/48/339044448.db2.gz CRYBNEWDTYXKFB-ZDUSSCGKSA-N 1 3 321.515 3.693 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2cnc(-c3cccs3)s2)C1 ZINC000459723733 339044449 /nfs/dbraw/zinc/04/44/49/339044449.db2.gz CRYBNEWDTYXKFB-ZDUSSCGKSA-N 1 3 321.515 3.693 20 0 DHADHO CC[NH2+]CC1CCN(Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000470003668 339308067 /nfs/dbraw/zinc/30/80/67/339308067.db2.gz NFETWUDBMPDXIV-UHFFFAOYSA-N 1 3 300.446 3.871 20 0 DHADHO CC[N@@H+]1CC[C@@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@@H](C)C1 ZINC000470165055 339312383 /nfs/dbraw/zinc/31/23/83/339312383.db2.gz CTSANDQPNJQAPN-IFXJQAMLSA-N 1 3 313.489 3.913 20 0 DHADHO CC[N@H+]1CC[C@@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@@H](C)C1 ZINC000470165055 339312384 /nfs/dbraw/zinc/31/23/84/339312384.db2.gz CTSANDQPNJQAPN-IFXJQAMLSA-N 1 3 313.489 3.913 20 0 DHADHO C[C@@H](CCc1ccccc1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472446655 339372072 /nfs/dbraw/zinc/37/20/72/339372072.db2.gz AMHFTTPTLWVJJA-FXAWDEMLSA-N 1 3 300.490 3.671 20 0 DHADHO C[C@@H](CCc1ccccc1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472446655 339372073 /nfs/dbraw/zinc/37/20/73/339372073.db2.gz AMHFTTPTLWVJJA-FXAWDEMLSA-N 1 3 300.490 3.671 20 0 DHADHO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000472446655 339372074 /nfs/dbraw/zinc/37/20/74/339372074.db2.gz AMHFTTPTLWVJJA-FXAWDEMLSA-N 1 3 300.490 3.671 20 0 DHADHO C[C@@H](CCc1ccccc1)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000472446655 339372075 /nfs/dbraw/zinc/37/20/75/339372075.db2.gz AMHFTTPTLWVJJA-FXAWDEMLSA-N 1 3 300.490 3.671 20 0 DHADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)C1CCC(F)(F)CC1 ZINC000474048993 339399158 /nfs/dbraw/zinc/39/91/58/339399158.db2.gz ZBMMFZJEHALSMI-LSDHHAIUSA-N 1 3 302.453 3.912 20 0 DHADHO CN(CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C1CCCCC1 ZINC000474053300 339399543 /nfs/dbraw/zinc/39/95/43/339399543.db2.gz COONGGUPMQIKQW-DFQSSKMNSA-N 1 3 322.537 3.826 20 0 DHADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000474057032 339399646 /nfs/dbraw/zinc/39/96/46/339399646.db2.gz VXYJYPRLOQMVMT-LJDSDSDDSA-N 1 3 322.537 3.539 20 0 DHADHO CC(C)[C@H](NCC1(C)CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000479460507 339536195 /nfs/dbraw/zinc/53/61/95/339536195.db2.gz KZLLPZHADDYHGJ-KRWDZBQOSA-N 1 3 310.432 3.983 20 0 DHADHO C(=C/c1ccncc1)\CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000486933709 339738618 /nfs/dbraw/zinc/73/86/18/339738618.db2.gz AIERBAWWNDQGLO-SNAWJCMRSA-N 1 3 321.468 3.871 20 0 DHADHO CCOc1ccc(CNCCCC[NH+]2CCC(C)CC2)cc1F ZINC000486976608 339741093 /nfs/dbraw/zinc/74/10/93/339741093.db2.gz ZINJDKYIZXSBCK-UHFFFAOYSA-N 1 3 322.468 3.826 20 0 DHADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCCN1CCCC1 ZINC000499910357 340046967 /nfs/dbraw/zinc/04/69/67/340046967.db2.gz WKBBOGZJKSVCCD-AWEZNQCLSA-N 1 3 312.404 3.767 20 0 DHADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CCCN1CCCC1 ZINC000499910357 340046968 /nfs/dbraw/zinc/04/69/68/340046968.db2.gz WKBBOGZJKSVCCD-AWEZNQCLSA-N 1 3 312.404 3.767 20 0 DHADHO C[N@H+](CCC1CCCC1)CC1CCN(c2ccncc2)CC1 ZINC000501070302 340073702 /nfs/dbraw/zinc/07/37/02/340073702.db2.gz SNMNRIGAJDLMOB-UHFFFAOYSA-N 1 3 301.478 3.810 20 0 DHADHO C[N@@H+](CCC1CCCC1)CC1CCN(c2ccncc2)CC1 ZINC000501070302 340073703 /nfs/dbraw/zinc/07/37/03/340073703.db2.gz SNMNRIGAJDLMOB-UHFFFAOYSA-N 1 3 301.478 3.810 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000501375478 340079467 /nfs/dbraw/zinc/07/94/67/340079467.db2.gz BNVCCHQAFBZDJI-MSOLQXFVSA-N 1 3 318.505 3.964 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000501375478 340079468 /nfs/dbraw/zinc/07/94/68/340079468.db2.gz BNVCCHQAFBZDJI-MSOLQXFVSA-N 1 3 318.505 3.964 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000501416394 340080424 /nfs/dbraw/zinc/08/04/24/340080424.db2.gz DOSVSYBATUJXSA-MSOLQXFVSA-N 1 3 318.505 3.964 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000501416394 340080425 /nfs/dbraw/zinc/08/04/25/340080425.db2.gz DOSVSYBATUJXSA-MSOLQXFVSA-N 1 3 318.505 3.964 20 0 DHADHO C/C(=C/c1ccccc1C(F)(F)F)CNC1CC[NH+](C)CC1 ZINC000501456835 340081482 /nfs/dbraw/zinc/08/14/82/340081482.db2.gz VKQJCXIDTHDOSP-QBFSEMIESA-N 1 3 312.379 3.793 20 0 DHADHO CN(C)CCOc1cccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)c1 ZINC000503033663 340119273 /nfs/dbraw/zinc/11/92/73/340119273.db2.gz JCOGSDAZJVBMEQ-CTNGQTDRSA-N 1 3 324.468 3.520 20 0 DHADHO CC[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@H]2CN(CC)CC)CCO1 ZINC000503556103 340130273 /nfs/dbraw/zinc/13/02/73/340130273.db2.gz BGITWCLDPQEEIK-HCXYKTFWSA-N 1 3 310.526 3.682 20 0 DHADHO CC(C)CCOc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000506942817 340204037 /nfs/dbraw/zinc/20/40/37/340204037.db2.gz LDKGAUVQOIVVBC-UHFFFAOYSA-N 1 3 318.505 3.885 20 0 DHADHO CC[C@@H]1C[C@@H](CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000507802431 340232092 /nfs/dbraw/zinc/23/20/92/340232092.db2.gz HDAPAQAZQVATSU-XUVXKRRUSA-N 1 3 322.537 3.780 20 0 DHADHO CC[C@@H]1C[C@H](CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000507802430 340232124 /nfs/dbraw/zinc/23/21/24/340232124.db2.gz HDAPAQAZQVATSU-VAMGGRTRSA-N 1 3 322.537 3.780 20 0 DHADHO COCc1ccccc1/C=C(\C)C[NH2+]CCCN1CCCCC1 ZINC000509684576 340276865 /nfs/dbraw/zinc/27/68/65/340276865.db2.gz LUWKNDSAXDTXRC-OBGWFSINSA-N 1 3 316.489 3.702 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000510688738 340306769 /nfs/dbraw/zinc/30/67/69/340306769.db2.gz SIGHSBDPNQGRNJ-FSPWUOQZSA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000510688738 340306770 /nfs/dbraw/zinc/30/67/70/340306770.db2.gz SIGHSBDPNQGRNJ-FSPWUOQZSA-N 1 3 308.416 3.502 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510707790 340307514 /nfs/dbraw/zinc/30/75/14/340307514.db2.gz YGTWKPOSJVYJMK-LSDHHAIUSA-N 1 3 310.432 3.607 20 0 DHADHO CSCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512632173 340370067 /nfs/dbraw/zinc/37/00/67/340370067.db2.gz XSIBSNZBYQHDDP-GUDVDZBRSA-N 1 3 318.530 3.630 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3(CCO)CCCC3)CC2)C1 ZINC000512964857 340385932 /nfs/dbraw/zinc/38/59/32/340385932.db2.gz WCSNMBWAOLLFBE-MJGOQNOKSA-N 1 3 322.537 3.562 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(CCO)CCCC3)CC2)C1 ZINC000512964857 340385933 /nfs/dbraw/zinc/38/59/33/340385933.db2.gz WCSNMBWAOLLFBE-MJGOQNOKSA-N 1 3 322.537 3.562 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CCc2c[nH]c3cc(F)ccc23)CC1 ZINC000513066465 340391717 /nfs/dbraw/zinc/39/17/17/340391717.db2.gz ZRCKDSFPLXVWIA-UHFFFAOYSA-N 1 3 317.452 3.702 20 0 DHADHO C[C@@H](NCCO[C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529037 341012314 /nfs/dbraw/zinc/01/23/14/341012314.db2.gz KUDHFVVVKKGTLT-MLYOOKFZSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H](NCCO[C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529037 341012315 /nfs/dbraw/zinc/01/23/15/341012315.db2.gz KUDHFVVVKKGTLT-MLYOOKFZSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)[C@@H]1CCCN(C2CCC2)C1 ZINC000542529037 341012316 /nfs/dbraw/zinc/01/23/16/341012316.db2.gz KUDHFVVVKKGTLT-MLYOOKFZSA-N 1 3 322.537 3.824 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000543446150 341045025 /nfs/dbraw/zinc/04/50/25/341045025.db2.gz CNPCMDBASPWAFJ-UYAOXDASSA-N 1 3 302.506 3.823 20 0 DHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCCCCC1 ZINC000544379545 341079216 /nfs/dbraw/zinc/07/92/16/341079216.db2.gz PCERJTWOYAJROS-KSZLIROESA-N 1 3 310.526 3.824 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(OC2CCCCC2)cc1 ZINC000133434229 341175088 /nfs/dbraw/zinc/17/50/88/341175088.db2.gz IRUMKLVLZIZZNA-UZLBHIALSA-N 1 3 316.489 3.828 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(OC2CCCCC2)cc1 ZINC000133434229 341175089 /nfs/dbraw/zinc/17/50/89/341175089.db2.gz IRUMKLVLZIZZNA-UZLBHIALSA-N 1 3 316.489 3.828 20 0 DHADHO CC(C)c1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000236649098 341192157 /nfs/dbraw/zinc/19/21/57/341192157.db2.gz VFSPUSXODHZQRN-QZTJIDSGSA-N 1 3 318.505 3.789 20 0 DHADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000237054745 341206484 /nfs/dbraw/zinc/20/64/84/341206484.db2.gz MXVGOCQDTZVTLY-HOTGVXAUSA-N 1 3 314.395 3.959 20 0 DHADHO Cc1cc(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000237667166 341217805 /nfs/dbraw/zinc/21/78/05/341217805.db2.gz XHTPVVLWPCXKFO-KDURUIRLSA-N 1 3 318.505 3.591 20 0 DHADHO Cc1cc(C)c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000237667585 341218032 /nfs/dbraw/zinc/21/80/32/341218032.db2.gz SINXHPNHWAQJLZ-OALUTQOASA-N 1 3 318.505 3.591 20 0 DHADHO CCCCOc1ccccc1CN(C)CC1CC[NH+](C)CC1 ZINC000136187257 341254594 /nfs/dbraw/zinc/25/45/94/341254594.db2.gz NRLOZBVXHITDRJ-UHFFFAOYSA-N 1 3 304.478 3.639 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000261543601 341296540 /nfs/dbraw/zinc/29/65/40/341296540.db2.gz DBRWLBZUTRKYRE-PZJWPPBQSA-N 1 3 324.468 3.525 20 0 DHADHO C[C@H]1CC(CC[NH2+]C2CCN(C3CCCCC3)CC2)C[C@H](C)O1 ZINC000549612053 341299046 /nfs/dbraw/zinc/29/90/46/341299046.db2.gz UTLYPLOYCDYLEK-IRXDYDNUSA-N 1 3 322.537 3.967 20 0 DHADHO COc1cccc(Cl)c1CNCCCCC[NH+]1CCCC1 ZINC000549869197 341305574 /nfs/dbraw/zinc/30/55/74/341305574.db2.gz DLOVWEAZHNSIHR-UHFFFAOYSA-N 1 3 310.869 3.704 20 0 DHADHO CC(C)Oc1ccccc1CNCCCCC[NH+]1CCCC1 ZINC000550263335 341313771 /nfs/dbraw/zinc/31/37/71/341313771.db2.gz YSVUECDUQSRWIS-UHFFFAOYSA-N 1 3 304.478 3.830 20 0 DHADHO CC1(C)Cc2cccc(CNCCCCC[NH+]3CCCC3)c2O1 ZINC000550265619 341313897 /nfs/dbraw/zinc/31/38/97/341313897.db2.gz UFRCUBNTQUPKEA-UHFFFAOYSA-N 1 3 316.489 3.756 20 0 DHADHO COc1ccc([C@@H](C)NCCCCC[NH+]2CCCC2)c(F)c1 ZINC000550882187 341325221 /nfs/dbraw/zinc/32/52/21/341325221.db2.gz JVSNVNWKOKNZIC-OAHLLOKOSA-N 1 3 308.441 3.751 20 0 DHADHO CCCCOc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000551529138 341343977 /nfs/dbraw/zinc/34/39/77/341343977.db2.gz CBNMVLFCIAVSCV-IRXDYDNUSA-N 1 3 304.478 3.858 20 0 DHADHO CCCCOc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000551529138 341343978 /nfs/dbraw/zinc/34/39/78/341343978.db2.gz CBNMVLFCIAVSCV-IRXDYDNUSA-N 1 3 304.478 3.858 20 0 DHADHO CC(C)[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1CC1 ZINC000551815622 341352860 /nfs/dbraw/zinc/35/28/60/341352860.db2.gz CMZDPWLYTVAIMR-HXUWFJFHSA-N 1 3 316.489 3.684 20 0 DHADHO COc1ccc2cc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)ccc2c1 ZINC000246864528 341357895 /nfs/dbraw/zinc/35/78/95/341357895.db2.gz SNNBDPBSWPCSTA-TZIWHRDSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)ccc2c1 ZINC000246864528 341357896 /nfs/dbraw/zinc/35/78/96/341357896.db2.gz SNNBDPBSWPCSTA-TZIWHRDSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(C[N@@H+]3CC[C@@H]4[C@H](CCCN4C)C3)ccc2c1 ZINC000246864528 341357897 /nfs/dbraw/zinc/35/78/97/341357897.db2.gz SNNBDPBSWPCSTA-TZIWHRDSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(C[N@H+]3CC[C@@H]4[C@H](CCCN4C)C3)ccc2c1 ZINC000246864528 341357898 /nfs/dbraw/zinc/35/78/98/341357898.db2.gz SNNBDPBSWPCSTA-TZIWHRDSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000246902767 341358480 /nfs/dbraw/zinc/35/84/80/341358480.db2.gz FHHIFRFWSMETFC-FZCLSBEQSA-N 1 3 304.478 3.650 20 0 DHADHO COCc1ccccc1/C=C(/C)CN(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000552043887 341364474 /nfs/dbraw/zinc/36/44/74/341364474.db2.gz FMSJMAIHIDVTPJ-BGHSRAONSA-N 1 3 316.489 3.508 20 0 DHADHO COCc1ccccc1/C=C(/C)CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000552043887 341364475 /nfs/dbraw/zinc/36/44/75/341364475.db2.gz FMSJMAIHIDVTPJ-BGHSRAONSA-N 1 3 316.489 3.508 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccccc2C)[C@@H](C)C1 ZINC000247881020 341370933 /nfs/dbraw/zinc/37/09/33/341370933.db2.gz BQOPWQRWQUTKCO-BJLQDIEVSA-N 1 3 318.505 3.783 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccccc2C)[C@@H](C)C1 ZINC000247881020 341370934 /nfs/dbraw/zinc/37/09/34/341370934.db2.gz BQOPWQRWQUTKCO-BJLQDIEVSA-N 1 3 318.505 3.783 20 0 DHADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000249140990 341394529 /nfs/dbraw/zinc/39/45/29/341394529.db2.gz QDYNADIJCRNXBC-XOUADPBQSA-N 1 3 314.395 3.651 20 0 DHADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H]3CCC34CCCC4)C2)cc1 ZINC000249145983 341394611 /nfs/dbraw/zinc/39/46/11/341394611.db2.gz WVYNWQJSJBCMJV-PMACEKPBSA-N 1 3 312.501 3.863 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3nc(C)ccc3c2)[C@@H](C)C1 ZINC000249498901 341398375 /nfs/dbraw/zinc/39/83/75/341398375.db2.gz HBNOOQILGBGXDQ-MGPUTAFESA-N 1 3 311.473 3.705 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3nc(C)ccc3c2)[C@@H](C)C1 ZINC000249498901 341398376 /nfs/dbraw/zinc/39/83/76/341398376.db2.gz HBNOOQILGBGXDQ-MGPUTAFESA-N 1 3 311.473 3.705 20 0 DHADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](CC)c1ccc(Cl)s1 ZINC000166048738 341715568 /nfs/dbraw/zinc/71/55/68/341715568.db2.gz IVQSVGLRDRXRSM-QWHCGFSZSA-N 1 3 318.914 3.799 20 0 DHADHO COCCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)c1ccc(Cl)cc1 ZINC000423100369 518053929 /nfs/dbraw/zinc/05/39/29/518053929.db2.gz GUJGYMNSCAXMEC-JFIYKMOQSA-N 1 3 324.896 3.567 20 0 DHADHO CCCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000154535207 521214579 /nfs/dbraw/zinc/21/45/79/521214579.db2.gz GIPYNSLRNPACGI-YJBOKZPZSA-N 1 3 317.477 3.517 20 0 DHADHO CCCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000154535207 521214581 /nfs/dbraw/zinc/21/45/81/521214581.db2.gz GIPYNSLRNPACGI-YJBOKZPZSA-N 1 3 317.477 3.517 20 0 DHADHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293244 522618794 /nfs/dbraw/zinc/61/87/94/522618794.db2.gz ZDAHZBGNAUKGEW-BBRMVZONSA-N 1 3 312.404 3.671 20 0 DHADHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293244 522618807 /nfs/dbraw/zinc/61/88/07/522618807.db2.gz ZDAHZBGNAUKGEW-BBRMVZONSA-N 1 3 312.404 3.671 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293244 522618815 /nfs/dbraw/zinc/61/88/15/522618815.db2.gz ZDAHZBGNAUKGEW-BBRMVZONSA-N 1 3 312.404 3.671 20 0 DHADHO C[NH+](C)CCCCNCc1cc(Br)ccc1Cl ZINC000225267042 524052957 /nfs/dbraw/zinc/05/29/57/524052957.db2.gz LHULDOPZFMPFLN-UHFFFAOYSA-N 1 3 319.674 3.534 20 0 DHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3cccn3C)cc2)C1 ZINC000265652781 524095387 /nfs/dbraw/zinc/09/53/87/524095387.db2.gz OAXHFGMZPJEIDM-KRWDZBQOSA-N 1 3 311.473 3.547 20 0 DHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3cccn3C)cc2)C1 ZINC000265652781 524095389 /nfs/dbraw/zinc/09/53/89/524095389.db2.gz OAXHFGMZPJEIDM-KRWDZBQOSA-N 1 3 311.473 3.547 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337340779 524108546 /nfs/dbraw/zinc/10/85/46/524108546.db2.gz PSJSPMZXRNUXAV-QWFCFKBJSA-N 1 3 315.505 3.962 20 0 DHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3cccn3C)cc2)C1 ZINC000265652783 524232029 /nfs/dbraw/zinc/23/20/29/524232029.db2.gz OAXHFGMZPJEIDM-QGZVFWFLSA-N 1 3 311.473 3.547 20 0 DHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3cccn3C)cc2)C1 ZINC000265652783 524232035 /nfs/dbraw/zinc/23/20/35/524232035.db2.gz OAXHFGMZPJEIDM-QGZVFWFLSA-N 1 3 311.473 3.547 20 0 DHADHO C[C@H]1C[N@H+](CCCNCc2ccc(C3CCC3)cc2)CCCO1 ZINC000339375978 524592587 /nfs/dbraw/zinc/59/25/87/524592587.db2.gz OTOKJZBQWUWKTD-KRWDZBQOSA-N 1 3 316.489 3.545 20 0 DHADHO C[C@H]1C[N@@H+](CCCNCc2ccc(C3CCC3)cc2)CCCO1 ZINC000339375978 524592594 /nfs/dbraw/zinc/59/25/94/524592594.db2.gz OTOKJZBQWUWKTD-KRWDZBQOSA-N 1 3 316.489 3.545 20 0 DHADHO C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000366430565 525396833 /nfs/dbraw/zinc/39/68/33/525396833.db2.gz IUTUEIKRWLUBNX-PPDQVPDSSA-N 1 3 324.472 3.540 20 0 DHADHO C[C@H](NCc1cccc2[nH]ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101857 525459134 /nfs/dbraw/zinc/45/91/34/525459134.db2.gz OVQZWVFQBYZINQ-DOTOQJQBSA-N 1 3 311.473 3.911 20 0 DHADHO C[C@H](NCc1cccc2[nH]ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101857 525459146 /nfs/dbraw/zinc/45/91/46/525459146.db2.gz OVQZWVFQBYZINQ-DOTOQJQBSA-N 1 3 311.473 3.911 20 0 DHADHO C[C@H]([NH2+]Cc1cccc2[nH]ccc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000183101857 525459152 /nfs/dbraw/zinc/45/91/52/525459152.db2.gz OVQZWVFQBYZINQ-DOTOQJQBSA-N 1 3 311.473 3.911 20 0 DHADHO C[C@@H](NCc1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000131738416 525524184 /nfs/dbraw/zinc/52/41/84/525524184.db2.gz UCGFSDYSRRQZPZ-OAHLLOKOSA-N 1 3 316.420 3.617 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2cccnc2)cc1 ZINC000157869148 525567731 /nfs/dbraw/zinc/56/77/31/525567731.db2.gz UFJSVOXGQSNXHN-TWOQFEAHSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2cccnc2)cc1 ZINC000157869148 525567738 /nfs/dbraw/zinc/56/77/38/525567738.db2.gz UFJSVOXGQSNXHN-TWOQFEAHSA-N 1 3 309.457 3.882 20 0 DHADHO [NH3+]CCCCCCC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000238007935 527174278 /nfs/dbraw/zinc/17/42/78/527174278.db2.gz VUNJPXASMMEEKD-UHFFFAOYSA-N 1 3 317.477 3.520 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000037644570 1013201308 /nfs/dbraw/zinc/20/13/08/1013201308.db2.gz WEGJPOKDVHOVIV-SWLSCSKDSA-N 1 3 310.894 3.808 20 0 DHADHO C[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1(F)F ZINC001167985121 1013519992 /nfs/dbraw/zinc/51/99/92/1013519992.db2.gz VUNSKIHOKRWADY-JTUUTPGSSA-N 1 3 312.448 3.759 20 0 DHADHO C[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1(F)F ZINC001167985121 1013519997 /nfs/dbraw/zinc/51/99/97/1013519997.db2.gz VUNSKIHOKRWADY-JTUUTPGSSA-N 1 3 312.448 3.759 20 0 DHADHO C[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCC1(F)F ZINC001167985121 1013520009 /nfs/dbraw/zinc/52/00/09/1013520009.db2.gz VUNSKIHOKRWADY-JTUUTPGSSA-N 1 3 312.448 3.759 20 0 DHADHO C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCC1(F)F ZINC001167985121 1013520012 /nfs/dbraw/zinc/52/00/12/1013520012.db2.gz VUNSKIHOKRWADY-JTUUTPGSSA-N 1 3 312.448 3.759 20 0 DHADHO CC[NH+]1CCC(CNCc2c(Cl)oc3ccccc32)CC1 ZINC000133189044 1013552821 /nfs/dbraw/zinc/55/28/21/1013552821.db2.gz LJDBPXQIOIVFJT-UHFFFAOYSA-N 1 3 306.837 3.908 20 0 DHADHO Cc1ccncc1CCCNCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000580059255 1014009943 /nfs/dbraw/zinc/00/99/43/1014009943.db2.gz ZQZWUEHQTHIEJZ-CALCHBBNSA-N 1 3 317.521 3.669 20 0 DHADHO Cc1ccncc1CCCNCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000580059255 1014009945 /nfs/dbraw/zinc/00/99/45/1014009945.db2.gz ZQZWUEHQTHIEJZ-CALCHBBNSA-N 1 3 317.521 3.669 20 0 DHADHO c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001167429367 1014281366 /nfs/dbraw/zinc/28/13/66/1014281366.db2.gz ISPCXEMLFRJKFS-QUCCMNQESA-N 1 3 312.501 3.914 20 0 DHADHO c1ccc2c(c1)CC[C@H]2CC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001167429367 1014281371 /nfs/dbraw/zinc/28/13/71/1014281371.db2.gz ISPCXEMLFRJKFS-QUCCMNQESA-N 1 3 312.501 3.914 20 0 DHADHO c1ccc2c(c1)CC[C@H]2CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001167429367 1014281376 /nfs/dbraw/zinc/28/13/76/1014281376.db2.gz ISPCXEMLFRJKFS-QUCCMNQESA-N 1 3 312.501 3.914 20 0 DHADHO CC[N@H+](CCCN1CCCC1)Cc1cc2cc(F)ccc2o1 ZINC000349342943 1014312256 /nfs/dbraw/zinc/31/22/56/1014312256.db2.gz FMORJCXOGHAYNU-UHFFFAOYSA-N 1 3 304.409 3.880 20 0 DHADHO CC[N@@H+](CCCN1CCCC1)Cc1cc2cc(F)ccc2o1 ZINC000349342943 1014312298 /nfs/dbraw/zinc/31/22/98/1014312298.db2.gz FMORJCXOGHAYNU-UHFFFAOYSA-N 1 3 304.409 3.880 20 0 DHADHO Cc1cc(F)ccc1C[C@@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000665235743 1014507637 /nfs/dbraw/zinc/50/76/37/1014507637.db2.gz ZEJFJATUAIXEGC-ZIAGYGMSSA-N 1 3 315.436 3.578 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+]CCCCCOc2ccccc2)C1 ZINC000521115923 1014648198 /nfs/dbraw/zinc/64/81/98/1014648198.db2.gz BBTJDMSHMCQMPX-GOSISDBHSA-N 1 3 304.478 3.556 20 0 DHADHO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000581269458 1014665360 /nfs/dbraw/zinc/66/53/60/1014665360.db2.gz PSWVOHXQOVIWLS-LJDSDSDDSA-N 1 3 316.464 3.767 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000166355135 1014975017 /nfs/dbraw/zinc/97/50/17/1014975017.db2.gz HXMLTLQNOPCATC-TWOQFEAHSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000166355135 1014975021 /nfs/dbraw/zinc/97/50/21/1014975021.db2.gz HXMLTLQNOPCATC-TWOQFEAHSA-N 1 3 309.457 3.882 20 0 DHADHO CC[C@@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000166399066 1014984070 /nfs/dbraw/zinc/98/40/70/1014984070.db2.gz YSNQZHJUHZCYJV-IVMMDQJWSA-N 1 3 312.404 3.811 20 0 DHADHO CC[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000166399066 1014984078 /nfs/dbraw/zinc/98/40/78/1014984078.db2.gz YSNQZHJUHZCYJV-IVMMDQJWSA-N 1 3 312.404 3.811 20 0 DHADHO CC[NH+]1CCC(CNCc2csc(Cl)c2Cl)CC1 ZINC000581585366 1015019096 /nfs/dbraw/zinc/01/90/96/1015019096.db2.gz ODXFAWNZXREZMK-UHFFFAOYSA-N 1 3 307.290 3.876 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000895587064 1015214115 /nfs/dbraw/zinc/21/41/15/1015214115.db2.gz GXSGQKQYKBZTHP-HLIUYOAVSA-N 1 3 308.416 3.532 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2ccc(COC)o2)CC1 ZINC000341537320 1015469159 /nfs/dbraw/zinc/46/91/59/1015469159.db2.gz VBWGEAOYNQYASU-UHFFFAOYSA-N 1 3 322.493 3.760 20 0 DHADHO Cc1ccc([C@@H](N[C@H](C)C2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000684557811 1015737141 /nfs/dbraw/zinc/73/71/41/1015737141.db2.gz JDXQZHVATBMXRC-DYESRHJHSA-N 1 3 323.484 3.799 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657348193 1016396816 /nfs/dbraw/zinc/39/68/16/1016396816.db2.gz NGZDWLZUSMEVNO-AWEZNQCLSA-N 1 3 303.475 3.506 20 0 DHADHO Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCCO2 ZINC000152377026 1016573344 /nfs/dbraw/zinc/57/33/44/1016573344.db2.gz HCMBQCIZDYVTGR-DYVFJYSZSA-N 1 3 320.864 3.628 20 0 DHADHO CCC[N@H+](Cc1cccc(-c2ccccn2)c1)C1CCNCC1 ZINC000347166574 1016767507 /nfs/dbraw/zinc/76/75/07/1016767507.db2.gz KBTVKHWXSGEIRA-UHFFFAOYSA-N 1 3 309.457 3.713 20 0 DHADHO CCC[N@@H+](Cc1cccc(-c2ccccn2)c1)C1CCNCC1 ZINC000347166574 1016767520 /nfs/dbraw/zinc/76/75/20/1016767520.db2.gz KBTVKHWXSGEIRA-UHFFFAOYSA-N 1 3 309.457 3.713 20 0 DHADHO CCCN(Cc1cccc(-c2ccccn2)c1)C1CC[NH2+]CC1 ZINC000347166574 1016767530 /nfs/dbraw/zinc/76/75/30/1016767530.db2.gz KBTVKHWXSGEIRA-UHFFFAOYSA-N 1 3 309.457 3.713 20 0 DHADHO COc1ccc([C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000623343267 1016971802 /nfs/dbraw/zinc/97/18/02/1016971802.db2.gz JKWWAYMXXUWMKV-SJLPKXTDSA-N 1 3 304.478 3.855 20 0 DHADHO COc1ccc([C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000623343267 1016971811 /nfs/dbraw/zinc/97/18/11/1016971811.db2.gz JKWWAYMXXUWMKV-SJLPKXTDSA-N 1 3 304.478 3.855 20 0 DHADHO CN1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623344309 1016972176 /nfs/dbraw/zinc/97/21/76/1016972176.db2.gz GEYLLJCWXZJBFK-CQSZACIVSA-N 1 3 300.368 3.668 20 0 DHADHO COc1ccc([C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623344687 1016975560 /nfs/dbraw/zinc/97/55/60/1016975560.db2.gz ZIVHMVPCGLRFJM-AEFFLSMTSA-N 1 3 302.462 3.609 20 0 DHADHO COc1ccc([C@@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623344687 1016975571 /nfs/dbraw/zinc/97/55/71/1016975571.db2.gz ZIVHMVPCGLRFJM-AEFFLSMTSA-N 1 3 302.462 3.609 20 0 DHADHO CCN(CC)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623356914 1016985114 /nfs/dbraw/zinc/98/51/14/1016985114.db2.gz OKYZEXIUIDCTDV-IAGOWNOFSA-N 1 3 323.550 3.593 20 0 DHADHO CCN(CC)[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623356914 1016985121 /nfs/dbraw/zinc/98/51/21/1016985121.db2.gz OKYZEXIUIDCTDV-IAGOWNOFSA-N 1 3 323.550 3.593 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccncc2Cl)C1 ZINC000623358758 1016985191 /nfs/dbraw/zinc/98/51/91/1016985191.db2.gz QTYVRLMAPQGFGL-GASCZTMLSA-N 1 3 309.885 3.583 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccncc2Cl)C1 ZINC000623358758 1016985202 /nfs/dbraw/zinc/98/52/02/1016985202.db2.gz QTYVRLMAPQGFGL-GASCZTMLSA-N 1 3 309.885 3.583 20 0 DHADHO Cc1cccc(C)c1OC[C@H](C)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623374781 1017005962 /nfs/dbraw/zinc/00/59/62/1017005962.db2.gz OQGPPTVNSPRZBH-IRXDYDNUSA-N 1 3 304.478 3.533 20 0 DHADHO Cc1cccc(C)c1OC[C@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623374781 1017005977 /nfs/dbraw/zinc/00/59/77/1017005977.db2.gz OQGPPTVNSPRZBH-IRXDYDNUSA-N 1 3 304.478 3.533 20 0 DHADHO C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(N2CCCC2)c1 ZINC000623444554 1017051076 /nfs/dbraw/zinc/05/10/76/1017051076.db2.gz KOCYSOSTJHQNSF-SJLPKXTDSA-N 1 3 315.505 3.810 20 0 DHADHO C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(N2CCCC2)c1 ZINC000623444554 1017051088 /nfs/dbraw/zinc/05/10/88/1017051088.db2.gz KOCYSOSTJHQNSF-SJLPKXTDSA-N 1 3 315.505 3.810 20 0 DHADHO Cc1cnccc1CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000294800878 1032160680 /nfs/dbraw/zinc/16/06/80/1032160680.db2.gz PIJFRQHMFRJEKH-UHFFFAOYSA-N 1 3 309.457 3.666 20 0 DHADHO CCc1nc(C)c([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)s1 ZINC000089512826 1032345604 /nfs/dbraw/zinc/34/56/04/1032345604.db2.gz FGTITMGLQMQVSD-LBPRGKRZSA-N 1 3 309.523 3.927 20 0 DHADHO CCCOc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c(C)c1 ZINC000623504910 1017082836 /nfs/dbraw/zinc/08/28/36/1017082836.db2.gz DZMIPMUAQVKEHX-QGZVFWFLSA-N 1 3 304.478 3.746 20 0 DHADHO C[C@@H]1Cc2ccccc2[C@H]1NCc1ccccc1OCC[NH+](C)C ZINC000122321313 1032534034 /nfs/dbraw/zinc/53/40/34/1032534034.db2.gz YSNDGQHUZZPFKL-IERDGZPVSA-N 1 3 324.468 3.650 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171400051 1032587371 /nfs/dbraw/zinc/58/73/71/1032587371.db2.gz CBRTXEZZPPJSHX-DOTOQJQBSA-N 1 3 304.453 3.537 20 0 DHADHO COc1ccc([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000424277764 1011970918 /nfs/dbraw/zinc/97/09/18/1011970918.db2.gz AUSUIDCWWOFGKP-UONOGXRCSA-N 1 3 310.869 3.731 20 0 DHADHO COc1ccc([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000424277764 1011970936 /nfs/dbraw/zinc/97/09/36/1011970936.db2.gz AUSUIDCWWOFGKP-UONOGXRCSA-N 1 3 310.869 3.731 20 0 DHADHO CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1OC ZINC000424373182 1012013658 /nfs/dbraw/zinc/01/36/58/1012013658.db2.gz JBDCAZWKYLIZRF-DJIMGWMZSA-N 1 3 320.477 3.795 20 0 DHADHO Cc1nccn1-c1ccc([C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546517 1012089733 /nfs/dbraw/zinc/08/97/33/1012089733.db2.gz PWIUQUVNIQKSTG-CRAIPNDOSA-N 1 3 324.472 3.506 20 0 DHADHO CC(C)CO[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(C)C ZINC000538394681 1012542837 /nfs/dbraw/zinc/54/28/37/1012542837.db2.gz KDCCUUPGCXIZRT-RBUKOAKNSA-N 1 3 322.537 3.823 20 0 DHADHO Clc1cccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000366661596 1012841516 /nfs/dbraw/zinc/84/15/16/1012841516.db2.gz DFSTWUDCDJORPA-LEUOFYLZSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1cccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000366661596 1012841535 /nfs/dbraw/zinc/84/15/35/1012841535.db2.gz DFSTWUDCDJORPA-LEUOFYLZSA-N 1 3 304.865 3.802 20 0 DHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1 ZINC000178037804 1017151569 /nfs/dbraw/zinc/15/15/69/1017151569.db2.gz AABWRRRDUBBGNA-OAGGEKHMSA-N 1 3 324.896 3.880 20 0 DHADHO COc1cc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc2ccccc21 ZINC000925143127 1017263919 /nfs/dbraw/zinc/26/39/19/1017263919.db2.gz QMGNHOKWLDEIFD-VKJFTORMSA-N 1 3 312.457 3.982 20 0 DHADHO COc1cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc2ccccc21 ZINC000925143127 1017263925 /nfs/dbraw/zinc/26/39/25/1017263925.db2.gz QMGNHOKWLDEIFD-VKJFTORMSA-N 1 3 312.457 3.982 20 0 DHADHO C[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1(F)F ZINC000716731670 1032705136 /nfs/dbraw/zinc/70/51/36/1032705136.db2.gz MFLAZAWFWCLGOY-XLAORIBOSA-N 1 3 320.427 3.674 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2C(F)(F)F)C1 ZINC000623867164 1017557002 /nfs/dbraw/zinc/55/70/02/1017557002.db2.gz SAOVKKFJKURKPX-RYUDHWBXSA-N 1 3 318.358 3.837 20 0 DHADHO C[C@H]1CC([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@H](C)C1 ZINC000657613516 1017571339 /nfs/dbraw/zinc/57/13/39/1017571339.db2.gz MHTUPSRGKDSOSQ-IAGOWNOFSA-N 1 3 315.505 3.708 20 0 DHADHO Cc1csc([C@@H](C)NCC2CC[NH+](CCC(C)C)CC2)n1 ZINC000623903359 1017574581 /nfs/dbraw/zinc/57/45/81/1017574581.db2.gz DDJPIAWNLYKIIT-OAHLLOKOSA-N 1 3 309.523 3.860 20 0 DHADHO Cc1ccc(C)c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657613358 1017574501 /nfs/dbraw/zinc/57/45/01/1017574501.db2.gz ZPTDBSNUUDYXSP-UHFFFAOYSA-N 1 3 323.484 3.700 20 0 DHADHO CC1(C)CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613730 1017582542 /nfs/dbraw/zinc/58/25/42/1017582542.db2.gz PYXGUUPXUXCHSC-IBGZPJMESA-N 1 3 315.505 3.852 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cnc2ccsc2c1 ZINC000624120541 1017691654 /nfs/dbraw/zinc/69/16/54/1017691654.db2.gz BLAGFXMGZIXHAM-KBPBESRZSA-N 1 3 303.475 3.679 20 0 DHADHO CN1CCCC[C@H](C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000624121726 1017695299 /nfs/dbraw/zinc/69/52/99/1017695299.db2.gz BZLXZIKUJLIQHB-MXWWQKGMSA-N 1 3 306.881 3.908 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cc(C)ccc1OC ZINC000624122255 1017696839 /nfs/dbraw/zinc/69/68/39/1017696839.db2.gz NDUCIGVNJSUJLI-WMZOPIPTSA-N 1 3 304.478 3.776 20 0 DHADHO Clc1ccccc1C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000090940946 1017834828 /nfs/dbraw/zinc/83/48/28/1017834828.db2.gz ZBECKDXVPOCZMO-HUUCEWRRSA-N 1 3 304.865 3.588 20 0 DHADHO Clc1ccccc1C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090940946 1017834852 /nfs/dbraw/zinc/83/48/52/1017834852.db2.gz ZBECKDXVPOCZMO-HUUCEWRRSA-N 1 3 304.865 3.588 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2C2CC2)C[C@@H](C)O1 ZINC000674334583 1017954450 /nfs/dbraw/zinc/95/44/50/1017954450.db2.gz YIUGXDXFUFXOLX-IAGOWNOFSA-N 1 3 316.489 3.543 20 0 DHADHO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C(C)(C)C(C)(C)N ZINC001172872505 1033443769 /nfs/dbraw/zinc/44/37/69/1033443769.db2.gz BTCZWIDTPAUOOA-NSHDSACASA-N 1 3 300.899 3.926 20 0 DHADHO Cc1cc(F)cc(Cl)c1CN1CCC2(C1)CC[NH+](C)CC2 ZINC001238784192 1018236995 /nfs/dbraw/zinc/23/69/95/1018236995.db2.gz FIVIDRBYJXFHLR-UHFFFAOYSA-N 1 3 310.844 3.705 20 0 DHADHO Cc1cccc(C)c1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381517217 1018263043 /nfs/dbraw/zinc/26/30/43/1018263043.db2.gz RPCUZFABOUVHES-FQEVSTJZSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1cccc(C)c1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381517217 1018263056 /nfs/dbraw/zinc/26/30/56/1018263056.db2.gz RPCUZFABOUVHES-FQEVSTJZSA-N 1 3 308.469 3.915 20 0 DHADHO COc1ccc2oc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)N4C)cc2c1 ZINC000126090509 1018351470 /nfs/dbraw/zinc/35/14/70/1018351470.db2.gz WPWSRVXVNWRSEH-MQVJKMGUSA-N 1 3 314.429 3.546 20 0 DHADHO Cc1ccc(CN(C)Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000093049257 1018435196 /nfs/dbraw/zinc/43/51/96/1018435196.db2.gz COGYOPAFTJWIDP-UHFFFAOYSA-N 1 3 318.486 3.629 20 0 DHADHO COCCC[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1 ZINC000635009792 1018512024 /nfs/dbraw/zinc/51/20/24/1018512024.db2.gz HTJSOUFHLUDPEZ-ROUUACIJSA-N 1 3 322.468 3.661 20 0 DHADHO COc1ccc2cc([C@@H](C)N[C@H](C)CC[NH+](C)C)ccc2c1 ZINC000315399599 1032774953 /nfs/dbraw/zinc/77/49/53/1032774953.db2.gz UYBFYPLACAZCFI-HUUCEWRRSA-N 1 3 300.446 3.839 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000926523622 1018652319 /nfs/dbraw/zinc/65/23/19/1018652319.db2.gz DYZKPPRGFKZLGQ-HKUYNNGSSA-N 1 3 310.526 3.538 20 0 DHADHO Clc1cnccc1CNC1CCC([NH+]2CCCCC2)CC1 ZINC000858148529 1032783287 /nfs/dbraw/zinc/78/32/87/1032783287.db2.gz ANMADGGSOLKWBA-UHFFFAOYSA-N 1 3 307.869 3.622 20 0 DHADHO Fc1ccc(CNCC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000657813297 1018805439 /nfs/dbraw/zinc/80/54/39/1018805439.db2.gz NLYGDBSXZMUMBJ-UHFFFAOYSA-N 1 3 310.844 3.691 20 0 DHADHO Clc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000676712475 1018814727 /nfs/dbraw/zinc/81/47/27/1018814727.db2.gz HVZOUFKXNKNPDH-CRAIPNDOSA-N 1 3 304.865 3.789 20 0 DHADHO Clc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000676712475 1018814747 /nfs/dbraw/zinc/81/47/47/1018814747.db2.gz HVZOUFKXNKNPDH-CRAIPNDOSA-N 1 3 304.865 3.789 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000584008126 1018834338 /nfs/dbraw/zinc/83/43/38/1018834338.db2.gz CWNNCDHKNHFLRM-KXBFYZLASA-N 1 3 320.908 3.983 20 0 DHADHO CSc1ccccc1C[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995787 1032803724 /nfs/dbraw/zinc/80/37/24/1032803724.db2.gz ZXPHXRGXBIXNSN-ZBFHGGJFSA-N 1 3 304.503 3.604 20 0 DHADHO COc1cccc(CCC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171618741 1032804570 /nfs/dbraw/zinc/80/45/70/1032804570.db2.gz BDLKCSDOSRIHGI-UHFFFAOYSA-N 1 3 318.505 3.869 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)CC3 ZINC000666995445 1032806786 /nfs/dbraw/zinc/80/67/86/1032806786.db2.gz NYHZRQSSAKQFGV-JKSUJKDBSA-N 1 3 323.484 3.598 20 0 DHADHO FC(F)(F)Cc1ccccc1CNC1CC[NH+](C2CC2)CC1 ZINC000624308375 1019290913 /nfs/dbraw/zinc/29/09/13/1019290913.db2.gz KOMGWRVDXUNZES-UHFFFAOYSA-N 1 3 312.379 3.508 20 0 DHADHO COc1cccc2c1CCC[C@@H]2[NH2+]C1CCN(CC(C)C)CC1 ZINC000194843845 1019351354 /nfs/dbraw/zinc/35/13/54/1019351354.db2.gz BWTJYCKFZPDDAJ-IBGZPJMESA-N 1 3 316.489 3.783 20 0 DHADHO Cc1ccc(CC[C@@H](C)[NH+]2CCC(N(C)C3CC3)CC2)cc1 ZINC001171682864 1032836155 /nfs/dbraw/zinc/83/61/55/1032836155.db2.gz XNASKCYBIGBCKV-QGZVFWFLSA-N 1 3 300.490 3.875 20 0 DHADHO C[NH+](C)CCOc1ccc(CNCc2coc3ccccc23)cc1 ZINC000114508981 1019520423 /nfs/dbraw/zinc/52/04/23/1019520423.db2.gz LZJHOQBDRBRKAX-UHFFFAOYSA-N 1 3 324.424 3.663 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000163301708 1019571142 /nfs/dbraw/zinc/57/11/42/1019571142.db2.gz GEAOQMOTPMRRMQ-IUODEOHRSA-N 1 3 310.894 3.808 20 0 DHADHO COCc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000093769280 1019579818 /nfs/dbraw/zinc/57/98/18/1019579818.db2.gz WFFNRGJPERZNBF-UHFFFAOYSA-N 1 3 320.477 3.514 20 0 DHADHO c1ccc(SC2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166560538 1019640014 /nfs/dbraw/zinc/64/00/14/1019640014.db2.gz RVDDNQVUVXLEKJ-HZPDHXFCSA-N 1 3 302.487 3.528 20 0 DHADHO c1ccc(SC2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166560538 1019640025 /nfs/dbraw/zinc/64/00/25/1019640025.db2.gz RVDDNQVUVXLEKJ-HZPDHXFCSA-N 1 3 302.487 3.528 20 0 DHADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]CCCN(C)C)cc1 ZINC000151921822 1019752079 /nfs/dbraw/zinc/75/20/79/1019752079.db2.gz SKIHRNANXYPCMR-INIZCTEOSA-N 1 3 312.457 3.965 20 0 DHADHO CCc1ccc(C(C)(C)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166796661 1019820569 /nfs/dbraw/zinc/82/05/69/1019820569.db2.gz YTQPXEXDKBZMRA-RBUKOAKNSA-N 1 3 300.490 3.743 20 0 DHADHO CCc1ccc(C(C)(C)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166796661 1019820591 /nfs/dbraw/zinc/82/05/91/1019820591.db2.gz YTQPXEXDKBZMRA-RBUKOAKNSA-N 1 3 300.490 3.743 20 0 DHADHO COc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1SC ZINC000069220929 1020048128 /nfs/dbraw/zinc/04/81/28/1020048128.db2.gz OTNLQVABTRDGLW-UHFFFAOYSA-N 1 3 322.518 3.581 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000093770717 1020071662 /nfs/dbraw/zinc/07/16/62/1020071662.db2.gz HHOAFCHUNSWRMX-INIZCTEOSA-N 1 3 312.457 3.622 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000093770717 1020071671 /nfs/dbraw/zinc/07/16/71/1020071671.db2.gz HHOAFCHUNSWRMX-INIZCTEOSA-N 1 3 312.457 3.622 20 0 DHADHO CCc1[nH]nc(Cl)c1CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC000922504548 1020105919 /nfs/dbraw/zinc/10/59/19/1020105919.db2.gz OHOOWPVQQLEBTO-UHFFFAOYSA-N 1 3 324.900 3.512 20 0 DHADHO C[C@@H]1CCCCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165225 1020197863 /nfs/dbraw/zinc/19/78/63/1020197863.db2.gz QGXWFEHCHLQZLL-YLJYHZDGSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H](C)C1 ZINC000658165792 1020198047 /nfs/dbraw/zinc/19/80/47/1020198047.db2.gz LVBOYFJCYHEJNN-HLIPFELVSA-N 1 3 315.505 3.708 20 0 DHADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H](C)C1 ZINC000658165794 1020198822 /nfs/dbraw/zinc/19/88/22/1020198822.db2.gz LVBOYFJCYHEJNN-MBOZVWFJSA-N 1 3 315.505 3.708 20 0 DHADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C1CCCC1 ZINC000658313611 1020296169 /nfs/dbraw/zinc/29/61/69/1020296169.db2.gz DWHVGEZATDDGDR-PWIZWCRZSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H](CC[NH2+][C@@H]1CCCNc2ccccc21)N1CCCCC1 ZINC000193281368 1020392643 /nfs/dbraw/zinc/39/26/43/1020392643.db2.gz XUBKXLACGZKPND-QFBILLFUSA-N 1 3 301.478 3.788 20 0 DHADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC000733614183 1020418855 /nfs/dbraw/zinc/41/88/55/1020418855.db2.gz BTIBFMBKHKUFRM-INIZCTEOSA-N 1 3 308.425 3.970 20 0 DHADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC000733614183 1020418862 /nfs/dbraw/zinc/41/88/62/1020418862.db2.gz BTIBFMBKHKUFRM-INIZCTEOSA-N 1 3 308.425 3.970 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000291082543 1020576243 /nfs/dbraw/zinc/57/62/43/1020576243.db2.gz CCAUTCWFAUSAQP-GOSISDBHSA-N 1 3 302.462 3.622 20 0 DHADHO Fc1cc(F)cc(C2CC(N[C@@H]3CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC000570503664 1020745428 /nfs/dbraw/zinc/74/54/28/1020745428.db2.gz KGWAFNMRKMJTAJ-ZCDVPAHGSA-N 1 3 320.427 3.817 20 0 DHADHO Fc1cc(F)cc(C2CC(N[C@@H]3CC[N@H+](C4CCCC4)C3)C2)c1 ZINC000570503664 1020745435 /nfs/dbraw/zinc/74/54/35/1020745435.db2.gz KGWAFNMRKMJTAJ-ZCDVPAHGSA-N 1 3 320.427 3.817 20 0 DHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)N(C)CCC[NH+](C)C ZINC001171967771 1032937085 /nfs/dbraw/zinc/93/70/85/1032937085.db2.gz BIBCDZUFLXBZMB-ZDUSSCGKSA-N 1 3 302.384 3.520 20 0 DHADHO CO[C@@](C)([C@H](C)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000414228003 1021015875 /nfs/dbraw/zinc/01/58/75/1021015875.db2.gz DCACWHBZYMMCNZ-GJJHYRHESA-N 1 3 322.537 3.823 20 0 DHADHO CO[C@@](C)([C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000414228003 1021015883 /nfs/dbraw/zinc/01/58/83/1021015883.db2.gz DCACWHBZYMMCNZ-GJJHYRHESA-N 1 3 322.537 3.823 20 0 DHADHO CO[C@@](C)([C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000414231592 1021018448 /nfs/dbraw/zinc/01/84/48/1021018448.db2.gz HJGPSEQCKINLKP-BEFAXECRSA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@@](C)([C@@H](C)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000414231592 1021018452 /nfs/dbraw/zinc/01/84/52/1021018452.db2.gz HJGPSEQCKINLKP-BEFAXECRSA-N 1 3 308.510 3.577 20 0 DHADHO COC1([C@H](C)NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000414308958 1021081032 /nfs/dbraw/zinc/08/10/32/1021081032.db2.gz QWZVHUWJSRRCOU-SOLBZPMBSA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000537964267 1032954625 /nfs/dbraw/zinc/95/46/25/1032954625.db2.gz KZTMVMMDAMHWEH-RDTXWAMCSA-N 1 3 322.468 3.754 20 0 DHADHO C[C@H](N[C@@H]1C[C@H]1c1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414341591 1021110734 /nfs/dbraw/zinc/11/07/34/1021110734.db2.gz IAXFCVORCCIREE-GDAAHCPNSA-N 1 3 310.441 3.636 20 0 DHADHO C[C@H](N[C@@H]1C[C@H]1c1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414341591 1021110740 /nfs/dbraw/zinc/11/07/40/1021110740.db2.gz IAXFCVORCCIREE-GDAAHCPNSA-N 1 3 310.441 3.636 20 0 DHADHO c1coc([C@@H]2C[C@H]2N[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000414347870 1021118420 /nfs/dbraw/zinc/11/84/20/1021118420.db2.gz NWUPPKJAJYYVBO-LJDSDSDDSA-N 1 3 322.452 3.636 20 0 DHADHO c1coc([C@@H]2C[C@H]2N[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000414347870 1021118423 /nfs/dbraw/zinc/11/84/23/1021118423.db2.gz NWUPPKJAJYYVBO-LJDSDSDDSA-N 1 3 322.452 3.636 20 0 DHADHO c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000414347870 1021118427 /nfs/dbraw/zinc/11/84/27/1021118427.db2.gz NWUPPKJAJYYVBO-LJDSDSDDSA-N 1 3 322.452 3.636 20 0 DHADHO Cc1n[nH]cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180517591 1021134649 /nfs/dbraw/zinc/13/46/49/1021134649.db2.gz FTUDBFYWSDCAKU-FMJMRLDVSA-N 1 3 324.472 3.564 20 0 DHADHO CC[N@H+](C)C[C@@H]1CCN(CCCSCc2ccccc2)C1 ZINC000090551760 1021232895 /nfs/dbraw/zinc/23/28/95/1021232895.db2.gz GBCMBMWRBFKNSS-SFHVURJKSA-N 1 3 306.519 3.584 20 0 DHADHO CC[N@@H+](C)C[C@@H]1CCN(CCCSCc2ccccc2)C1 ZINC000090551760 1021232899 /nfs/dbraw/zinc/23/28/99/1021232899.db2.gz GBCMBMWRBFKNSS-SFHVURJKSA-N 1 3 306.519 3.584 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+](CCCSCc2ccccc2)C1 ZINC000090551760 1021232912 /nfs/dbraw/zinc/23/29/12/1021232912.db2.gz GBCMBMWRBFKNSS-SFHVURJKSA-N 1 3 306.519 3.584 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+](CCCSCc2ccccc2)C1 ZINC000090551760 1021232919 /nfs/dbraw/zinc/23/29/19/1021232919.db2.gz GBCMBMWRBFKNSS-SFHVURJKSA-N 1 3 306.519 3.584 20 0 DHADHO CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423481504 1021258455 /nfs/dbraw/zinc/25/84/55/1021258455.db2.gz WWMACEMYNQCDEP-AITUJVMLSA-N 1 3 304.453 3.543 20 0 DHADHO C[C@@H]1C[N@@H+]([C@H]2CCN(Cc3ccccc3)C(C)(C)C2)[C@H](C)CO1 ZINC001171986194 1032969986 /nfs/dbraw/zinc/96/99/86/1032969986.db2.gz GJWRQOAZSGVJCP-LMMKCTJWSA-N 1 3 316.489 3.539 20 0 DHADHO C[C@@H]1C[N@H+]([C@H]2CCN(Cc3ccccc3)C(C)(C)C2)[C@H](C)CO1 ZINC001171986194 1032969990 /nfs/dbraw/zinc/96/99/90/1032969990.db2.gz GJWRQOAZSGVJCP-LMMKCTJWSA-N 1 3 316.489 3.539 20 0 DHADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCC2 ZINC000166149691 1021387781 /nfs/dbraw/zinc/38/77/81/1021387781.db2.gz JEYPXAAJMKUYFQ-RTBURBONSA-N 1 3 320.521 3.721 20 0 DHADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000166149691 1021387798 /nfs/dbraw/zinc/38/77/98/1021387798.db2.gz JEYPXAAJMKUYFQ-RTBURBONSA-N 1 3 320.521 3.721 20 0 DHADHO N[C@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1F ZINC001206154417 1032977349 /nfs/dbraw/zinc/97/73/49/1032977349.db2.gz IXQSOFVYKDOSPI-MOPGFXCFSA-N 1 3 314.404 3.740 20 0 DHADHO N[C@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1F ZINC001206154417 1032977358 /nfs/dbraw/zinc/97/73/58/1032977358.db2.gz IXQSOFVYKDOSPI-MOPGFXCFSA-N 1 3 314.404 3.740 20 0 DHADHO N[C@@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1F ZINC001206154419 1032977411 /nfs/dbraw/zinc/97/74/11/1032977411.db2.gz IXQSOFVYKDOSPI-RBUKOAKNSA-N 1 3 314.404 3.740 20 0 DHADHO N[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1F ZINC001206154419 1032977423 /nfs/dbraw/zinc/97/74/23/1032977423.db2.gz IXQSOFVYKDOSPI-RBUKOAKNSA-N 1 3 314.404 3.740 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(COc2ccccc2)c1 ZINC000129529513 1021505931 /nfs/dbraw/zinc/50/59/31/1021505931.db2.gz DSQBWVWIFWPHMC-UTKZUKDTSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(COc2ccccc2)c1 ZINC000129529513 1021505943 /nfs/dbraw/zinc/50/59/43/1021505943.db2.gz DSQBWVWIFWPHMC-UTKZUKDTSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@H](c1cccc(Br)c1)N1CCC(CC[NH3+])CC1 ZINC000070183604 1021585006 /nfs/dbraw/zinc/58/50/06/1021585006.db2.gz SBSXAZVODRCABZ-GFCCVEGCSA-N 1 3 311.267 3.571 20 0 DHADHO CN(CCc1ccccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172126494 1032993381 /nfs/dbraw/zinc/99/33/81/1032993381.db2.gz WIGWSPOJPMKUOC-BJWYYQGGSA-N 1 3 306.881 3.830 20 0 DHADHO CN(CCc1ccccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172126494 1032993383 /nfs/dbraw/zinc/99/33/83/1032993383.db2.gz WIGWSPOJPMKUOC-BJWYYQGGSA-N 1 3 306.881 3.830 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000924608380 1021665285 /nfs/dbraw/zinc/66/52/85/1021665285.db2.gz NVIPJOWARBEVQJ-HXUWFJFHSA-N 1 3 309.457 3.774 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3cccc(Cl)c3C1)C2 ZINC001172128334 1032997054 /nfs/dbraw/zinc/99/70/54/1032997054.db2.gz REHOJSVJXMFTKE-ZSHCYNCHSA-N 1 3 304.865 3.713 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3cccc(Cl)c3C1)C2 ZINC001172128334 1032997068 /nfs/dbraw/zinc/99/70/68/1032997068.db2.gz REHOJSVJXMFTKE-ZSHCYNCHSA-N 1 3 304.865 3.713 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1cccnc1Cl)C1CC1)C2 ZINC001172110512 1033012361 /nfs/dbraw/zinc/01/23/61/1033012361.db2.gz NUXZRGMLZPPTTH-MPTYRVRUSA-N 1 3 319.880 3.791 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000556872844 1021914982 /nfs/dbraw/zinc/91/49/82/1021914982.db2.gz RWYLFCXKGFEPBO-CVEARBPZSA-N 1 3 324.459 3.996 20 0 DHADHO COc1cccc(CN2CCCC3(CC[NH+](C)CC3)C2)c1Cl ZINC000852006931 1022056999 /nfs/dbraw/zinc/05/69/99/1022056999.db2.gz GOAIPIGKCBEUAY-UHFFFAOYSA-N 1 3 322.880 3.656 20 0 DHADHO Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000390561542 1022074365 /nfs/dbraw/zinc/07/43/65/1022074365.db2.gz AQNDBZUDISURHI-IHWFROFDSA-N 1 3 322.452 3.677 20 0 DHADHO CCCCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(C)C ZINC000766450671 1022120653 /nfs/dbraw/zinc/12/06/53/1022120653.db2.gz CDFSXYKRRLLJEO-RTBURBONSA-N 1 3 322.537 3.967 20 0 DHADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000853093009 1022218217 /nfs/dbraw/zinc/21/82/17/1022218217.db2.gz ZDLLGTXAWZBUHN-BZUAXINKSA-N 1 3 318.427 3.819 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cnc(-c3ccccc3)s1)C2 ZINC001169096483 1022244128 /nfs/dbraw/zinc/24/41/28/1022244128.db2.gz XKLTXXKRGXUFFF-MUJYYYPQSA-N 1 3 313.470 3.525 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000659989620 1022307106 /nfs/dbraw/zinc/30/71/06/1022307106.db2.gz PUTVETVKHUDMMZ-WSTZPKSXSA-N 1 3 300.490 3.844 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000659989620 1022307126 /nfs/dbraw/zinc/30/71/26/1022307126.db2.gz PUTVETVKHUDMMZ-WSTZPKSXSA-N 1 3 300.490 3.844 20 0 DHADHO C[C@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654925 1022383665 /nfs/dbraw/zinc/38/36/65/1022383665.db2.gz KBGVSQAKSZSJHO-DOTOQJQBSA-N 1 3 306.881 3.648 20 0 DHADHO C[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654925 1022383685 /nfs/dbraw/zinc/38/36/85/1022383685.db2.gz KBGVSQAKSZSJHO-DOTOQJQBSA-N 1 3 306.881 3.648 20 0 DHADHO CCN(CC)Cc1cccc(NC(C)(C)CC[NH+](C)C)c1F ZINC001169718199 1022516395 /nfs/dbraw/zinc/51/63/95/1022516395.db2.gz TVYBANJMXNPUHI-UHFFFAOYSA-N 1 3 309.473 3.810 20 0 DHADHO CCC(CC)N1CCC([NH2+][C@@H]2CSc3ccccc3C2)CC1 ZINC001172200578 1033061257 /nfs/dbraw/zinc/06/12/57/1033061257.db2.gz LCPGVWRDAGRUBC-KRWDZBQOSA-N 1 3 318.530 3.946 20 0 DHADHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000158230336 1022618097 /nfs/dbraw/zinc/61/80/97/1022618097.db2.gz LNQRUQIRYPXMGD-BBRMVZONSA-N 1 3 312.404 3.671 20 0 DHADHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000158230336 1022618101 /nfs/dbraw/zinc/61/81/01/1022618101.db2.gz LNQRUQIRYPXMGD-BBRMVZONSA-N 1 3 312.404 3.671 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158613228 1022650441 /nfs/dbraw/zinc/65/04/41/1022650441.db2.gz PXICJSQTPRUXLI-AEFFLSMTSA-N 1 3 306.881 3.689 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158613228 1022650443 /nfs/dbraw/zinc/65/04/43/1022650443.db2.gz PXICJSQTPRUXLI-AEFFLSMTSA-N 1 3 306.881 3.689 20 0 DHADHO CCCc1ccc([C@@H](C)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000159117871 1022690740 /nfs/dbraw/zinc/69/07/40/1022690740.db2.gz MUVZGHZDONWMTG-QGZVFWFLSA-N 1 3 318.505 3.791 20 0 DHADHO CC(C)[C@@H](CN1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000584839343 1022797400 /nfs/dbraw/zinc/79/74/00/1022797400.db2.gz JUOLXRSSZUFFOS-HXUWFJFHSA-N 1 3 300.490 3.890 20 0 DHADHO CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CCCCC1 ZINC000660256405 1022824150 /nfs/dbraw/zinc/82/41/50/1022824150.db2.gz LUKLUUMDBYMTSA-YVWKXTFCSA-N 1 3 322.537 3.824 20 0 DHADHO CO[C@H](CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CCCCC1 ZINC000660256405 1022824167 /nfs/dbraw/zinc/82/41/67/1022824167.db2.gz LUKLUUMDBYMTSA-YVWKXTFCSA-N 1 3 322.537 3.824 20 0 DHADHO CO[C@H](CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCCCC1 ZINC000660256405 1022824182 /nfs/dbraw/zinc/82/41/82/1022824182.db2.gz LUKLUUMDBYMTSA-YVWKXTFCSA-N 1 3 322.537 3.824 20 0 DHADHO CCCCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600865 1022837045 /nfs/dbraw/zinc/83/70/45/1022837045.db2.gz YBLPNZFNAKFACQ-IBGZPJMESA-N 1 3 319.493 3.565 20 0 DHADHO CCCCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600865 1022837066 /nfs/dbraw/zinc/83/70/66/1022837066.db2.gz YBLPNZFNAKFACQ-IBGZPJMESA-N 1 3 319.493 3.565 20 0 DHADHO CCCCC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600866 1022838141 /nfs/dbraw/zinc/83/81/41/1022838141.db2.gz YBLPNZFNAKFACQ-LJQANCHMSA-N 1 3 319.493 3.565 20 0 DHADHO CCCCC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600866 1022838155 /nfs/dbraw/zinc/83/81/55/1022838155.db2.gz YBLPNZFNAKFACQ-LJQANCHMSA-N 1 3 319.493 3.565 20 0 DHADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)CCCO2 ZINC000768108866 1022891303 /nfs/dbraw/zinc/89/13/03/1022891303.db2.gz RWHRVDDMOWCUSO-QYZOEREBSA-N 1 3 316.489 3.925 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000414908390 1022904233 /nfs/dbraw/zinc/90/42/33/1022904233.db2.gz BGVFNFUYSKTPDX-WDEREUQCSA-N 1 3 306.759 3.718 20 0 DHADHO Cc1cc(CNCc2cccc(C[NH+](C)C)c2)c2c(n1)CCCC2 ZINC000893330436 1022926892 /nfs/dbraw/zinc/92/68/92/1022926892.db2.gz JEGBGZJMXZNNOV-UHFFFAOYSA-N 1 3 323.484 3.620 20 0 DHADHO CN1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000250150668 1023070819 /nfs/dbraw/zinc/07/08/19/1023070819.db2.gz WZKKEBXUPZBDPG-OXJNMPFZSA-N 1 3 312.432 3.847 20 0 DHADHO CCc1nc2c(s1)[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)CCC2 ZINC000089513185 1023088988 /nfs/dbraw/zinc/08/89/88/1023088988.db2.gz XHCBKWGBTLWMRP-AWEZNQCLSA-N 1 3 321.534 3.935 20 0 DHADHO CC(C)CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000538569669 1033107876 /nfs/dbraw/zinc/10/78/76/1033107876.db2.gz RXNSZAUYSDJMBX-YQVWRLOYSA-N 1 3 318.505 3.930 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000769876532 1023238273 /nfs/dbraw/zinc/23/82/73/1023238273.db2.gz SVEVHYZAJHCCJR-OAGGEKHMSA-N 1 3 321.509 3.954 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000769876891 1023238988 /nfs/dbraw/zinc/23/89/88/1023238988.db2.gz UXXOUHIJBOPMEW-GJZGRUSLSA-N 1 3 307.482 3.708 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000769876891 1023238995 /nfs/dbraw/zinc/23/89/95/1023238995.db2.gz UXXOUHIJBOPMEW-GJZGRUSLSA-N 1 3 307.482 3.708 20 0 DHADHO ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925701987 1023276738 /nfs/dbraw/zinc/27/67/38/1023276738.db2.gz IYFKLZZFGCLYBX-RRFJBIMHSA-N 1 3 319.320 3.718 20 0 DHADHO CN1CC[C@@]2(C1)CCC[N@H+](CCOc1cccc3ccccc31)C2 ZINC000660657034 1023365432 /nfs/dbraw/zinc/36/54/32/1023365432.db2.gz ZLPUMSXIKMJKRC-OAQYLSRUSA-N 1 3 324.468 3.636 20 0 DHADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCOc1cccc3ccccc31)C2 ZINC000660657034 1023365439 /nfs/dbraw/zinc/36/54/39/1023365439.db2.gz ZLPUMSXIKMJKRC-OAQYLSRUSA-N 1 3 324.468 3.636 20 0 DHADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCc1ccc3ccccc3c1)C2 ZINC000660660958 1023367500 /nfs/dbraw/zinc/36/75/00/1023367500.db2.gz XVCHMSQVOYEKPW-NRFANRHFSA-N 1 3 308.469 3.800 20 0 DHADHO C[N@H+]1CC[C@]2(C1)CCCN(CCc1ccc3ccccc3c1)C2 ZINC000660660958 1023367506 /nfs/dbraw/zinc/36/75/06/1023367506.db2.gz XVCHMSQVOYEKPW-NRFANRHFSA-N 1 3 308.469 3.800 20 0 DHADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCc1ccc3ccccc3c1)C2 ZINC000660660959 1023368299 /nfs/dbraw/zinc/36/82/99/1023368299.db2.gz XVCHMSQVOYEKPW-OAQYLSRUSA-N 1 3 308.469 3.800 20 0 DHADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCc1ccc3ccccc3c1)C2 ZINC000660660959 1023368305 /nfs/dbraw/zinc/36/83/05/1023368305.db2.gz XVCHMSQVOYEKPW-OAQYLSRUSA-N 1 3 308.469 3.800 20 0 DHADHO C[C@@H]1CC[C@H]([NH+]2CCC(N)(Cc3cccc(F)c3)CC2)C[C@H]1C ZINC001172371628 1033151896 /nfs/dbraw/zinc/15/18/96/1033151896.db2.gz VNVAUNLCICZAAG-MDZRGWNJSA-N 1 3 318.480 3.986 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCCOc2ccccc2C)C[C@H]1C ZINC000531141197 1024033144 /nfs/dbraw/zinc/03/31/44/1024033144.db2.gz RVHLHZIASLSZEP-MSOLQXFVSA-N 1 3 304.478 3.569 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCCOc2ccccc2C)C[C@H]1C ZINC000531141197 1024033157 /nfs/dbraw/zinc/03/31/57/1024033157.db2.gz RVHLHZIASLSZEP-MSOLQXFVSA-N 1 3 304.478 3.569 20 0 DHADHO [NH3+]C[C@H](NCCSc1ccc(F)cc1F)C1CCCCC1 ZINC000662276325 1024060083 /nfs/dbraw/zinc/06/00/83/1024060083.db2.gz HHTAQBXXLBODFB-HNNXBMFYSA-N 1 3 314.445 3.554 20 0 DHADHO CC[C@@H](CC(C)C)[NH+]1CCC(N)(Cc2cccc(OC)c2)CC1 ZINC001172398476 1033185107 /nfs/dbraw/zinc/18/51/07/1033185107.db2.gz GJICZHCLJXXWMT-SFHVURJKSA-N 1 3 318.505 3.856 20 0 DHADHO C[C@@H](c1c(F)cccc1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297430 1024080144 /nfs/dbraw/zinc/08/01/44/1024080144.db2.gz PRHCWQRPSNXBRA-ZFWWWQNUSA-N 1 3 308.416 3.737 20 0 DHADHO CCCOc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000193507966 1024156987 /nfs/dbraw/zinc/15/69/87/1024156987.db2.gz JDVRBYRNJNJCKB-CVEARBPZSA-N 1 3 302.462 3.610 20 0 DHADHO CCCOc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000193507966 1024156992 /nfs/dbraw/zinc/15/69/92/1024156992.db2.gz JDVRBYRNJNJCKB-CVEARBPZSA-N 1 3 302.462 3.610 20 0 DHADHO CC[C@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(OC)cc1 ZINC000269003793 1024217402 /nfs/dbraw/zinc/21/74/02/1024217402.db2.gz MFTYRMVSIIGAJY-IBGZPJMESA-N 1 3 302.462 3.753 20 0 DHADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc2c(c1)COC2 ZINC000269057046 1024231860 /nfs/dbraw/zinc/23/18/60/1024231860.db2.gz JHEVQIWFDVTLKX-OAHLLOKOSA-N 1 3 314.473 3.774 20 0 DHADHO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000531735965 1024289594 /nfs/dbraw/zinc/28/95/94/1024289594.db2.gz LSXHDCAXCCKONJ-VUHPKUFZSA-N 1 3 318.505 3.991 20 0 DHADHO c1cc(-c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)ccn1 ZINC000531723075 1024295536 /nfs/dbraw/zinc/29/55/36/1024295536.db2.gz ODISOXDVKMUTBY-UHFFFAOYSA-N 1 3 321.468 3.713 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccncc1 ZINC000453106317 1024332873 /nfs/dbraw/zinc/33/28/73/1024332873.db2.gz IQCPGDJMIIJTNZ-TZIWHRDSSA-N 1 3 323.484 3.687 20 0 DHADHO C[C@H](CCCc1cccnc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000453146579 1024351341 /nfs/dbraw/zinc/35/13/41/1024351341.db2.gz XFRKKVNCZPATMW-QGZVFWFLSA-N 1 3 315.505 3.789 20 0 DHADHO CC[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000790749426 1024371215 /nfs/dbraw/zinc/37/12/15/1024371215.db2.gz DHCNMOGZXTVAKO-GOSISDBHSA-N 1 3 316.489 3.784 20 0 DHADHO C[C@H](CCCc1cccnc1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000453192164 1024392397 /nfs/dbraw/zinc/39/23/97/1024392397.db2.gz JAMCSUJVBZDWLB-QZTJIDSGSA-N 1 3 303.494 3.647 20 0 DHADHO Fc1ccc(C2CC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663467415 1024405577 /nfs/dbraw/zinc/40/55/77/1024405577.db2.gz FPIWMKAVVNNYBV-VQSBYGRUSA-N 1 3 316.464 3.783 20 0 DHADHO C[C@@H](CCc1ccsc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663464674 1024406323 /nfs/dbraw/zinc/40/63/23/1024406323.db2.gz FXDHHHIGBKKZFE-MAUKXSAKSA-N 1 3 306.519 3.781 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000663467098 1024409802 /nfs/dbraw/zinc/40/98/02/1024409802.db2.gz ZOXIAUUMHIRHLW-LAVFITLUSA-N 1 3 318.530 3.952 20 0 DHADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCC4(COC4)CC3)CC2)C1 ZINC000883379285 1024410562 /nfs/dbraw/zinc/41/05/62/1024410562.db2.gz VOHUANTVTAMQMO-LPHOPBHVSA-N 1 3 320.521 3.578 20 0 DHADHO c1ccc([C@@H](C[C@H]2CCOC2)NCCC[NH+]2CCCCC2)cc1 ZINC000166027034 1024447711 /nfs/dbraw/zinc/44/77/11/1024447711.db2.gz CWAFIVCZPWXPHD-UYAOXDASSA-N 1 3 316.489 3.620 20 0 DHADHO C[C@H](NCC1CC[NH+](Cc2cccs2)CC1)c1cscn1 ZINC000271126225 1024458523 /nfs/dbraw/zinc/45/85/23/1024458523.db2.gz KRHSMUGTTHMNNC-ZDUSSCGKSA-N 1 3 321.515 3.767 20 0 DHADHO CC1(C)C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000453428285 1024519957 /nfs/dbraw/zinc/51/99/57/1024519957.db2.gz PQVYCHXEBMVXCJ-INIZCTEOSA-N 1 3 308.510 3.578 20 0 DHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000271497481 1024523207 /nfs/dbraw/zinc/52/32/07/1024523207.db2.gz LLIFCFGDHMPBFS-UGSOOPFHSA-N 1 3 321.428 3.632 20 0 DHADHO CCSc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925786930 1024525229 /nfs/dbraw/zinc/52/52/29/1024525229.db2.gz YCDSQLWMWQJCJR-OCCSQVGLSA-N 1 3 314.445 3.694 20 0 DHADHO C[N@H+](CCCCNCc1csc(-c2cccs2)n1)C1CC1 ZINC000453590746 1024546627 /nfs/dbraw/zinc/54/66/27/1024546627.db2.gz BELVBNXBXCZKCK-UHFFFAOYSA-N 1 3 321.515 3.836 20 0 DHADHO C[N@@H+](CCCCNCc1csc(-c2cccs2)n1)C1CC1 ZINC000453590746 1024546635 /nfs/dbraw/zinc/54/66/35/1024546635.db2.gz BELVBNXBXCZKCK-UHFFFAOYSA-N 1 3 321.515 3.836 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@H]2NC2CC[NH+](C(C)C)CC2)cc1 ZINC000532235239 1024586001 /nfs/dbraw/zinc/58/60/01/1024586001.db2.gz SPNMIQTWTYHJMS-UXHICEINSA-N 1 3 316.489 3.678 20 0 DHADHO CC[NH+](CC)CCC[C@@H](C)N(C)Cc1nc2ccccc2o1 ZINC001167838487 1024622653 /nfs/dbraw/zinc/62/26/53/1024622653.db2.gz VMODRIYRDAZQLH-OAHLLOKOSA-N 1 3 303.450 3.770 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC001170387222 1024760551 /nfs/dbraw/zinc/76/05/51/1024760551.db2.gz RTOJYCKXYFLXNT-RTBURBONSA-N 1 3 318.505 3.692 20 0 DHADHO c1ccc(OCCCCCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000187353659 1025002759 /nfs/dbraw/zinc/00/27/59/1025002759.db2.gz YGTWSLPZKUBZGO-LJQANCHMSA-N 1 3 316.489 3.653 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCSc3c(F)cccc32)[C@@H]2CCC[C@@H]21 ZINC000353401802 1025054578 /nfs/dbraw/zinc/05/45/78/1025054578.db2.gz IGLBROGYCGCMCV-SJWGOKEGSA-N 1 3 320.477 3.825 20 0 DHADHO C[N@H+]1CC[C@H](N[C@@H]2CCSc3c(F)cccc32)[C@@H]2CCC[C@@H]21 ZINC000353401802 1025054594 /nfs/dbraw/zinc/05/45/94/1025054594.db2.gz IGLBROGYCGCMCV-SJWGOKEGSA-N 1 3 320.477 3.825 20 0 DHADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)N(C)CCC[NH+](C)C ZINC001172572507 1033268030 /nfs/dbraw/zinc/26/80/30/1033268030.db2.gz YQDGSYRIMUEZLH-LBPRGKRZSA-N 1 3 318.839 3.823 20 0 DHADHO CCc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000539073628 1033268297 /nfs/dbraw/zinc/26/82/97/1033268297.db2.gz NZXBOFSIRAGVOT-KURKYZTESA-N 1 3 318.505 3.789 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000122920841 1025243010 /nfs/dbraw/zinc/24/30/10/1025243010.db2.gz GLTZIHDOGNFDQD-OBJOEFQTSA-N 1 3 316.367 3.719 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000122920841 1025243017 /nfs/dbraw/zinc/24/30/17/1025243017.db2.gz GLTZIHDOGNFDQD-OBJOEFQTSA-N 1 3 316.367 3.719 20 0 DHADHO Cc1nc2ccc(NC3CC(C)(C)[NH+](C)C(C)(C)C3)cc2[nH]1 ZINC001170450360 1025291102 /nfs/dbraw/zinc/29/11/02/1025291102.db2.gz IHWLVBJGUPPREB-UHFFFAOYSA-N 1 3 300.450 3.935 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000124143731 1025322606 /nfs/dbraw/zinc/32/26/06/1025322606.db2.gz MHRMYQZDIIUXGL-STQMWFEESA-N 1 3 316.367 3.578 20 0 DHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000877314891 1033280215 /nfs/dbraw/zinc/28/02/15/1033280215.db2.gz GYEFPGZIPKBHSQ-MRUHUIDDSA-N 1 3 318.442 3.564 20 0 DHADHO CC1CC[NH+](C2CCC(NCc3ccc(Cl)cn3)CC2)CC1 ZINC000886043651 1025449412 /nfs/dbraw/zinc/44/94/12/1025449412.db2.gz HAVRUBOKHWMJJR-UHFFFAOYSA-N 1 3 321.896 3.868 20 0 DHADHO Cc1noc(C)c1[C@@H](C)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924685251 1033287033 /nfs/dbraw/zinc/28/70/33/1033287033.db2.gz OGPRXLKRQSSIKH-QLFBSQMISA-N 1 3 307.482 3.700 20 0 DHADHO Cc1noc(C)c1[C@@H](C)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924685251 1033287047 /nfs/dbraw/zinc/28/70/47/1033287047.db2.gz OGPRXLKRQSSIKH-QLFBSQMISA-N 1 3 307.482 3.700 20 0 DHADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cn2c(n1)CCCC2 ZINC000924685488 1033289935 /nfs/dbraw/zinc/28/99/35/1033289935.db2.gz JKWQBCXMHXBKIB-DLBZAZTESA-N 1 3 318.509 3.525 20 0 DHADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cn2c(n1)CCCC2 ZINC000924685488 1033289941 /nfs/dbraw/zinc/28/99/41/1033289941.db2.gz JKWQBCXMHXBKIB-DLBZAZTESA-N 1 3 318.509 3.525 20 0 DHADHO CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1cccc(OC)c1 ZINC000131171369 1025686361 /nfs/dbraw/zinc/68/63/61/1025686361.db2.gz IUJANOYMUNJLEL-IBGZPJMESA-N 1 3 304.478 3.856 20 0 DHADHO CC1([NH+]2CCCC2)CCC(NCc2cccnc2Cl)CC1 ZINC000886636400 1025750966 /nfs/dbraw/zinc/75/09/66/1025750966.db2.gz NASDISBDBDGZCC-UHFFFAOYSA-N 1 3 307.869 3.622 20 0 DHADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1N(C)C ZINC000089512857 1026053417 /nfs/dbraw/zinc/05/34/17/1026053417.db2.gz BVZVZGKNMZVINK-HNNXBMFYSA-N 1 3 303.494 3.666 20 0 DHADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccccc1N(C)C ZINC000093941883 1026134635 /nfs/dbraw/zinc/13/46/35/1026134635.db2.gz PXVWANAZTWTYSP-INIZCTEOSA-N 1 3 311.473 3.665 20 0 DHADHO CC(C)N1CCN(CCC[N@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419341520 1026186245 /nfs/dbraw/zinc/18/62/45/1026186245.db2.gz YUWZBLZEFSQZFW-OALUTQOASA-N 1 3 323.569 3.549 20 0 DHADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419341520 1026186256 /nfs/dbraw/zinc/18/62/56/1026186256.db2.gz YUWZBLZEFSQZFW-OALUTQOASA-N 1 3 323.569 3.549 20 0 DHADHO COc1ccc2ccccc2c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000289857738 1026203201 /nfs/dbraw/zinc/20/32/01/1026203201.db2.gz VFWPXESASYUZMS-JWTNVVGKSA-N 1 3 324.468 3.905 20 0 DHADHO COc1ccc2ccccc2c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000289857738 1026203211 /nfs/dbraw/zinc/20/32/11/1026203211.db2.gz VFWPXESASYUZMS-JWTNVVGKSA-N 1 3 324.468 3.905 20 0 DHADHO Cc1cccc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000357017618 1026277691 /nfs/dbraw/zinc/27/76/91/1026277691.db2.gz SZPOXWOOZOWTNL-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1cccc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000357017618 1026277701 /nfs/dbraw/zinc/27/77/01/1026277701.db2.gz SZPOXWOOZOWTNL-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO Clc1nccc2cc(CNC[C@H]3CC[N@@H+](C4CC4)C3)sc21 ZINC000894171862 1026313392 /nfs/dbraw/zinc/31/33/92/1026313392.db2.gz CHOUAAGZXJNTEH-LLVKDONJSA-N 1 3 321.877 3.524 20 0 DHADHO Clc1nccc2cc(CNC[C@H]3CC[N@H+](C4CC4)C3)sc21 ZINC000894171862 1026313404 /nfs/dbraw/zinc/31/34/04/1026313404.db2.gz CHOUAAGZXJNTEH-LLVKDONJSA-N 1 3 321.877 3.524 20 0 DHADHO Cc1ccoc1CNCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513544362 1026538036 /nfs/dbraw/zinc/53/80/36/1026538036.db2.gz HFKPNJVSRIIKFG-PKOBYXMFSA-N 1 3 312.457 3.978 20 0 DHADHO Cc1ccoc1CNCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513544362 1026538039 /nfs/dbraw/zinc/53/80/39/1026538039.db2.gz HFKPNJVSRIIKFG-PKOBYXMFSA-N 1 3 312.457 3.978 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2csc3ccccc23)[C@H]2CCC[C@H]21 ZINC000513664960 1026559462 /nfs/dbraw/zinc/55/94/62/1026559462.db2.gz AGVHDETYZHROJN-IXDOHACOSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@H+]1CC[C@H](NCc2csc3ccccc23)[C@H]2CCC[C@H]21 ZINC000513664960 1026559468 /nfs/dbraw/zinc/55/94/68/1026559468.db2.gz AGVHDETYZHROJN-IXDOHACOSA-N 1 3 300.471 3.864 20 0 DHADHO c1cncc([C@H]([NH2+]C2CCN(C3CCCC3)CC2)C2CCC2)c1 ZINC000280428138 1026651874 /nfs/dbraw/zinc/65/18/74/1026651874.db2.gz BSQYSZIIHSHGCN-HXUWFJFHSA-N 1 3 313.489 3.919 20 0 DHADHO CC(C)c1ccccc1OCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000513707747 1026755045 /nfs/dbraw/zinc/75/50/45/1026755045.db2.gz IIRLWONNXXVGHQ-GUDVDZBRSA-N 1 3 316.489 3.651 20 0 DHADHO CC(C)c1ccccc1OCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000513707750 1026755356 /nfs/dbraw/zinc/75/53/56/1026755356.db2.gz IIRLWONNXXVGHQ-QRVBRYPASA-N 1 3 316.489 3.651 20 0 DHADHO C[C@H](c1nc2ccccc2s1)N(C)CC[C@@H]1CCC[NH2+]C1 ZINC000420300340 1026799333 /nfs/dbraw/zinc/79/93/33/1026799333.db2.gz KCFGSQLTTHIOIK-KGLIPLIRSA-N 1 3 303.475 3.679 20 0 DHADHO Cc1cccc(-c2c[nH]c([C@H]3CCCN3CC[C@H]3CC[NH2+]C3)n2)c1 ZINC000420308029 1026800996 /nfs/dbraw/zinc/80/09/96/1026800996.db2.gz CHKLIVSCERIUBK-VQIMIIECSA-N 1 3 324.472 3.522 20 0 DHADHO Cc1occc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000414452439 1026806280 /nfs/dbraw/zinc/80/62/80/1026806280.db2.gz LCXARALNBFQQIN-VQTJNVASSA-N 1 3 310.441 3.542 20 0 DHADHO Cc1occc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000414452439 1026806289 /nfs/dbraw/zinc/80/62/89/1026806289.db2.gz LCXARALNBFQQIN-VQTJNVASSA-N 1 3 310.441 3.542 20 0 DHADHO CC1(C)CNCC[C@H]1[NH2+]CCCOc1cccc2ccccc21 ZINC000420371502 1026810261 /nfs/dbraw/zinc/81/02/61/1026810261.db2.gz WVRGXDAQARNFSC-LJQANCHMSA-N 1 3 312.457 3.586 20 0 DHADHO Cc1cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000420385005 1026811546 /nfs/dbraw/zinc/81/15/46/1026811546.db2.gz FAPSOJKYHAVUAT-OXQOHEQNSA-N 1 3 309.457 3.507 20 0 DHADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000421822437 1027056686 /nfs/dbraw/zinc/05/66/86/1027056686.db2.gz XACISUISHGPREK-DAXOMENPSA-N 1 3 310.844 3.627 20 0 DHADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000421822437 1027056695 /nfs/dbraw/zinc/05/66/95/1027056695.db2.gz XACISUISHGPREK-DAXOMENPSA-N 1 3 310.844 3.627 20 0 DHADHO COC1([C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CCCC1 ZINC000421831735 1027061159 /nfs/dbraw/zinc/06/11/59/1027061159.db2.gz LTNGFIMTCZZLPD-INIZCTEOSA-N 1 3 308.510 3.721 20 0 DHADHO COC1([C@H](C)NC2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000421831735 1027061168 /nfs/dbraw/zinc/06/11/68/1027061168.db2.gz LTNGFIMTCZZLPD-INIZCTEOSA-N 1 3 308.510 3.721 20 0 DHADHO C[C@H](CN1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1cccc(Cl)c1 ZINC000561982347 1027158569 /nfs/dbraw/zinc/15/85/69/1027158569.db2.gz MNCHLBZWUNTZKZ-UWWQBHOKSA-N 1 3 306.881 3.860 20 0 DHADHO C[C@H](CN1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1cccc(Cl)c1 ZINC000561982347 1027158578 /nfs/dbraw/zinc/15/85/78/1027158578.db2.gz MNCHLBZWUNTZKZ-UWWQBHOKSA-N 1 3 306.881 3.860 20 0 DHADHO C[C@H](NC1(c2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271987662 1027197609 /nfs/dbraw/zinc/19/76/09/1027197609.db2.gz LDODTYAMZUXAJY-KRWDZBQOSA-N 1 3 324.468 3.967 20 0 DHADHO CCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(C)c1 ZINC000573512143 1027299953 /nfs/dbraw/zinc/29/99/53/1027299953.db2.gz SGZVZUMJQVAESL-AQNXPRMDSA-N 1 3 316.489 3.746 20 0 DHADHO CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(C)c1 ZINC000573512143 1027299969 /nfs/dbraw/zinc/29/99/69/1027299969.db2.gz SGZVZUMJQVAESL-AQNXPRMDSA-N 1 3 316.489 3.746 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000422758377 1027308589 /nfs/dbraw/zinc/30/85/89/1027308589.db2.gz JKANJUWYRPAPHN-PKOBYXMFSA-N 1 3 309.388 3.584 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000422747124 1027310084 /nfs/dbraw/zinc/31/00/84/1027310084.db2.gz PDZRMXASCOECDR-VXGBXAGGSA-N 1 3 303.837 3.914 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000422778231 1027320584 /nfs/dbraw/zinc/32/05/84/1027320584.db2.gz GXHVCUWNJJFFNA-AWEZNQCLSA-N 1 3 311.473 3.997 20 0 DHADHO [NH3+][C@H]1CCC[C@H]1NCCSCc1cccc2ccccc21 ZINC000422761600 1027321070 /nfs/dbraw/zinc/32/10/70/1027321070.db2.gz MZITZWXTCNCDOS-ZWKOTPCHSA-N 1 3 300.471 3.542 20 0 DHADHO Cc1ccc(SCC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422763036 1027323995 /nfs/dbraw/zinc/32/39/95/1027323995.db2.gz ITJVLXOZXSLRHT-AWEZNQCLSA-N 1 3 315.486 3.600 20 0 DHADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H]2SCCc3ccccc32)c2ccccc21 ZINC000422838285 1027336950 /nfs/dbraw/zinc/33/69/50/1027336950.db2.gz OALKGLJOTKBXJD-QRVBRYPASA-N 1 3 310.466 3.751 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NCc1ccccc1COCc1ccccc1 ZINC000422852426 1027340552 /nfs/dbraw/zinc/34/05/52/1027340552.db2.gz ANOXBOSDGQLFRA-DLBZAZTESA-N 1 3 312.457 3.619 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)c1c(Cl)cccc1Cl ZINC000422884417 1027349410 /nfs/dbraw/zinc/34/94/10/1027349410.db2.gz WXMNXPBOJJBTFN-GYSYKLTISA-N 1 3 301.261 3.814 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)c1c(Cl)cccc1Cl ZINC000422884420 1027351643 /nfs/dbraw/zinc/35/16/43/1027351643.db2.gz WXMNXPBOJJBTFN-UHIISALHSA-N 1 3 301.261 3.814 20 0 DHADHO Cc1csc(CCCCN[C@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000422911236 1027359309 /nfs/dbraw/zinc/35/93/09/1027359309.db2.gz SJAFKGFJEQLUGS-CVEARBPZSA-N 1 3 301.459 3.509 20 0 DHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cc2ccccc2o1 ZINC000422924235 1027363370 /nfs/dbraw/zinc/36/33/70/1027363370.db2.gz TWCNBYFAKSIVPC-BEFAXECRSA-N 1 3 308.425 3.523 20 0 DHADHO COc1cc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])ccc1OCCC(C)C ZINC000422942496 1027368351 /nfs/dbraw/zinc/36/83/51/1027368351.db2.gz KMJIFCWFUJRIBO-PMPSAXMXSA-N 1 3 322.493 3.897 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CCc2c1cccc2Cl ZINC000422944596 1027374636 /nfs/dbraw/zinc/37/46/36/1027374636.db2.gz ZYOSBUVNAULDKG-XIKOKIGWSA-N 1 3 315.848 3.840 20 0 DHADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1cccc(Cl)c1Cl ZINC000422948254 1027374694 /nfs/dbraw/zinc/37/46/94/1027374694.db2.gz QZTYDJSKGVYVAE-ZIAGYGMSSA-N 1 3 301.261 3.786 20 0 DHADHO Cc1ccccc1O[C@@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422994512 1027383397 /nfs/dbraw/zinc/38/33/97/1027383397.db2.gz HXWVNNBKAFAIIE-RUBXOHKTSA-N 1 3 314.473 3.558 20 0 DHADHO C[C@@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422984425 1027386583 /nfs/dbraw/zinc/38/65/83/1027386583.db2.gz AWEZKFFLFTYVMU-BPAFIMBUSA-N 1 3 308.425 3.593 20 0 DHADHO CC[C@@H](CSc1ccc(C)c(C)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000422999024 1027388281 /nfs/dbraw/zinc/38/82/81/1027388281.db2.gz DMHMIBGLPPIEQN-DLBZAZTESA-N 1 3 306.519 3.906 20 0 DHADHO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423011734 1027391728 /nfs/dbraw/zinc/39/17/28/1027391728.db2.gz BLBGJFISCBXFQQ-BTINSWFASA-N 1 3 314.404 3.636 20 0 DHADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423024133 1027393251 /nfs/dbraw/zinc/39/32/51/1027393251.db2.gz LBMRARBNAYUHHI-HOTGVXAUSA-N 1 3 310.844 3.760 20 0 DHADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000423019963 1027394882 /nfs/dbraw/zinc/39/48/82/1027394882.db2.gz YBLYGFFNFBYSIX-HUUCEWRRSA-N 1 3 313.272 3.885 20 0 DHADHO Cc1cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)ccc1Cl ZINC000423039078 1027401319 /nfs/dbraw/zinc/40/13/19/1027401319.db2.gz PQTMTZDJNRETRQ-GFCCVEGCSA-N 1 3 303.837 3.661 20 0 DHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092338 1027415383 /nfs/dbraw/zinc/41/53/83/1027415383.db2.gz BKRQZTHGEHOFFP-SJFSSXKUSA-N 1 3 312.432 3.620 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCCCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000423117273 1027418642 /nfs/dbraw/zinc/41/86/42/1027418642.db2.gz UPQQFQHQNDSRNL-AZUAARDMSA-N 1 3 323.415 3.974 20 0 DHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000423119362 1027418709 /nfs/dbraw/zinc/41/87/09/1027418709.db2.gz CFCPVTLBRBNEFM-XHSDSOJGSA-N 1 3 314.395 3.657 20 0 DHADHO C[C@@H](N[C@@H](C)c1cccc(-c2ccncc2)c1)[C@H]1CCC[NH2+]C1 ZINC000423208754 1027446525 /nfs/dbraw/zinc/44/65/25/1027446525.db2.gz DQENLLOHPVMXIG-YRNRMSPPSA-N 1 3 309.457 3.787 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423212912 1027453547 /nfs/dbraw/zinc/45/35/47/1027453547.db2.gz JELYDCHZSHHTEK-KHYOSLBOSA-N 1 3 311.473 3.831 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(SC(F)F)cc1 ZINC000158246822 1027458298 /nfs/dbraw/zinc/45/82/98/1027458298.db2.gz FGLXVDZLHLZTNG-OLZOCXBDSA-N 1 3 314.445 3.994 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(SC(F)F)cc1 ZINC000158246822 1027458310 /nfs/dbraw/zinc/45/83/10/1027458310.db2.gz FGLXVDZLHLZTNG-OLZOCXBDSA-N 1 3 314.445 3.994 20 0 DHADHO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(C)ccc1OC ZINC000295926777 1027491806 /nfs/dbraw/zinc/49/18/06/1027491806.db2.gz KIHHWEFVKKRWBT-MMNRESRNSA-N 1 3 302.462 3.670 20 0 DHADHO CC(C)[C@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423274518 1027492430 /nfs/dbraw/zinc/49/24/30/1027492430.db2.gz MEAVOFMKNXFWQE-HUUCEWRRSA-N 1 3 315.486 3.760 20 0 DHADHO CCOc1ccc([C@@H](CC)[NH2+]C[C@@H](N)C(C)C)cc1OCC ZINC000423280656 1027494509 /nfs/dbraw/zinc/49/45/09/1027494509.db2.gz UFBBKGJQNBXDER-HZPDHXFCSA-N 1 3 308.466 3.508 20 0 DHADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000423310712 1027497955 /nfs/dbraw/zinc/49/79/55/1027497955.db2.gz AVJWDMHXSPONBY-HZMBPMFUSA-N 1 3 318.408 3.729 20 0 DHADHO C[C@H](CN)C[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000423295948 1027505187 /nfs/dbraw/zinc/50/51/87/1027505187.db2.gz FXZHFDGTOPZVDZ-KCXAZCMYSA-N 1 3 314.395 3.916 20 0 DHADHO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)CN)cc1 ZINC000423303966 1027507465 /nfs/dbraw/zinc/50/74/65/1027507465.db2.gz XVEIJPFUFIRWSF-IRXDYDNUSA-N 1 3 304.478 3.537 20 0 DHADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000423324074 1027507686 /nfs/dbraw/zinc/50/76/86/1027507686.db2.gz KEFTVDHGBYGLLU-LLVKDONJSA-N 1 3 318.408 3.873 20 0 DHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC1(N)CCC1 ZINC000423332113 1027510873 /nfs/dbraw/zinc/51/08/73/1027510873.db2.gz QPMHDNNHHOTHCJ-ZDUSSCGKSA-N 1 3 315.486 3.959 20 0 DHADHO C[C@H](NCC[C@H]1CCC[NH2+]1)[C@H](C)c1nc2ccccc2s1 ZINC000423356644 1027521122 /nfs/dbraw/zinc/52/11/22/1027521122.db2.gz HBCMDDGPNRFTPV-MELADBBJSA-N 1 3 303.475 3.520 20 0 DHADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423382104 1027526263 /nfs/dbraw/zinc/52/62/63/1027526263.db2.gz DFYXTXBHYWDBAS-DAYGRLMNSA-N 1 3 313.489 3.812 20 0 DHADHO Cc1cc(OCCC[C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)ccc1Cl ZINC000423389315 1027529762 /nfs/dbraw/zinc/52/97/62/1027529762.db2.gz JHZJXUZPIGBKDU-MPGHIAIKSA-N 1 3 324.896 3.784 20 0 DHADHO Cc1cc(OCCC[C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)ccc1Cl ZINC000423388046 1027531077 /nfs/dbraw/zinc/53/10/77/1027531077.db2.gz SXJBZAGRTYKNPA-HRCADAONSA-N 1 3 324.896 3.926 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423404195 1027537584 /nfs/dbraw/zinc/53/75/84/1027537584.db2.gz ZAISQAQYLRULDF-YUELXQCFSA-N 1 3 312.910 3.941 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423404195 1027537591 /nfs/dbraw/zinc/53/75/91/1027537591.db2.gz ZAISQAQYLRULDF-YUELXQCFSA-N 1 3 312.910 3.941 20 0 DHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H](C)[C@H](C)N ZINC000423442164 1027545257 /nfs/dbraw/zinc/54/52/57/1027545257.db2.gz JLUOQLBUWXQXHL-AVGNSLFASA-N 1 3 303.475 3.813 20 0 DHADHO Cc1cc(N)cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000423485636 1027570999 /nfs/dbraw/zinc/57/09/99/1027570999.db2.gz VKEQPKKPTSSMRM-DYESRHJHSA-N 1 3 323.484 3.577 20 0 DHADHO Cc1cc(N)cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000423485636 1027571003 /nfs/dbraw/zinc/57/10/03/1027571003.db2.gz VKEQPKKPTSSMRM-DYESRHJHSA-N 1 3 323.484 3.577 20 0 DHADHO C[C@@H]1[C@@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000423509332 1027574114 /nfs/dbraw/zinc/57/41/14/1027574114.db2.gz JMMBOCCBBANMKM-DXUGQKIESA-N 1 3 306.453 3.524 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CNC[C@H]1c1ccccc1)C1CCC(F)(F)CC1 ZINC000423526711 1027581675 /nfs/dbraw/zinc/58/16/75/1027581675.db2.gz LLECYZQLOCOYIH-XOKHGSTOSA-N 1 3 308.416 3.546 20 0 DHADHO C[C@@H](CCc1ccco1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000578209439 1028091667 /nfs/dbraw/zinc/09/16/67/1028091667.db2.gz BKECHJHYUSOXOU-WMZOPIPTSA-N 1 3 304.478 3.987 20 0 DHADHO C[C@@H](CCc1ccco1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000578209439 1028091686 /nfs/dbraw/zinc/09/16/86/1028091686.db2.gz BKECHJHYUSOXOU-WMZOPIPTSA-N 1 3 304.478 3.987 20 0 DHADHO C[NH2+]C[C@H]1CCN(CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000578506335 1028168663 /nfs/dbraw/zinc/16/86/63/1028168663.db2.gz CWPLZEDHNMLWSB-CQSZACIVSA-N 1 3 315.288 3.857 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000578617380 1028196925 /nfs/dbraw/zinc/19/69/25/1028196925.db2.gz JWTMJFFWDQUOJL-ZYSHUDEJSA-N 1 3 323.484 3.911 20 0 DHADHO C[C@H]([NH2+]C1CC(c2ccccn2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000368031652 1028285421 /nfs/dbraw/zinc/28/54/21/1028285421.db2.gz VLWJWGORELGMLV-VYMRPNJYSA-N 1 3 313.489 3.570 20 0 DHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCc2ccco2)CC1 ZINC000449063325 1028299734 /nfs/dbraw/zinc/29/97/34/1028299734.db2.gz PAAZCNOPLYBHPF-KRWDZBQOSA-N 1 3 312.457 3.507 20 0 DHADHO c1ccc2c(c1)C[C@@H]1[C@@H](NC3CC[NH+](C4CCCCC4)CC3)[C@H]21 ZINC000368591638 1028379441 /nfs/dbraw/zinc/37/94/41/1028379441.db2.gz IDLJTORCLHHXQD-PWRODBHTSA-N 1 3 310.485 3.711 20 0 DHADHO c1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)[C@H]21 ZINC000368591638 1028379450 /nfs/dbraw/zinc/37/94/50/1028379450.db2.gz IDLJTORCLHHXQD-PWRODBHTSA-N 1 3 310.485 3.711 20 0 DHADHO CC(C)[C@H](O)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449153614 1028404919 /nfs/dbraw/zinc/40/49/19/1028404919.db2.gz KJLVVDRSGZVQCF-QGZVFWFLSA-N 1 3 312.542 3.662 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000449214316 1028448261 /nfs/dbraw/zinc/44/82/61/1028448261.db2.gz YECJZXXQCDWHDE-QZTJIDSGSA-N 1 3 322.537 3.823 20 0 DHADHO CC(F)(F)CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000449348195 1028562040 /nfs/dbraw/zinc/56/20/40/1028562040.db2.gz BNJKUYPILCFBAN-KZNAEPCWSA-N 1 3 322.443 3.922 20 0 DHADHO Cc1cc(F)ccc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000815570015 1028564445 /nfs/dbraw/zinc/56/44/45/1028564445.db2.gz OFXMNJWJTCEJSI-BBWFWOEESA-N 1 3 322.468 3.674 20 0 DHADHO CC1(F)CC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000449376758 1028584866 /nfs/dbraw/zinc/58/48/66/1028584866.db2.gz PALKHVAPFZOOOT-YTENZGMBSA-N 1 3 316.464 3.767 20 0 DHADHO CC1(F)CC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000449376756 1028585179 /nfs/dbraw/zinc/58/51/79/1028585179.db2.gz PALKHVAPFZOOOT-DQAKRJAASA-N 1 3 316.464 3.767 20 0 DHADHO CC[C@H](C)[C@H](CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)OC ZINC000449402075 1028620340 /nfs/dbraw/zinc/62/03/40/1028620340.db2.gz JOPGKTVWJKATIP-DKKFBQAASA-N 1 3 310.526 3.680 20 0 DHADHO C[C@H](NC1CC[NH+](CCc2ccncc2)CC1)c1ccsc1 ZINC000372064422 1028803523 /nfs/dbraw/zinc/80/35/23/1028803523.db2.gz CWELZCCDMSECAX-HNNXBMFYSA-N 1 3 315.486 3.501 20 0 DHADHO CCO[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449761089 1028967302 /nfs/dbraw/zinc/96/73/02/1028967302.db2.gz URBCZWJEMXDVQY-RTBURBONSA-N 1 3 308.510 3.721 20 0 DHADHO CCO[C@@H]1CCCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000449761089 1028967314 /nfs/dbraw/zinc/96/73/14/1028967314.db2.gz URBCZWJEMXDVQY-RTBURBONSA-N 1 3 308.510 3.721 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000817909032 1029272928 /nfs/dbraw/zinc/27/29/28/1029272928.db2.gz WMEKNAIRFSDVKZ-STQMWFEESA-N 1 3 317.864 3.784 20 0 DHADHO FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCNC1 ZINC000817941882 1029282322 /nfs/dbraw/zinc/28/23/22/1029282322.db2.gz SUDVQIVYRPFSOC-DOMZBBRYSA-N 1 3 312.429 3.720 20 0 DHADHO COc1cccc2cc([C@H](C)NCc3ccc(CC[NH3+])cc3)oc21 ZINC000817947230 1029291339 /nfs/dbraw/zinc/29/13/39/1029291339.db2.gz AOEFTYNSCRJIEO-AWEZNQCLSA-N 1 3 324.424 3.793 20 0 DHADHO C[C@H](C[NH3+])CN[C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817961793 1029302296 /nfs/dbraw/zinc/30/22/96/1029302296.db2.gz CLFDFAKEYJBGEG-QMTHXVAHSA-N 1 3 300.418 3.563 20 0 DHADHO C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccc(SC(F)F)cc1 ZINC000817966987 1029308309 /nfs/dbraw/zinc/30/83/09/1029308309.db2.gz BCXQNWCIXNKJMK-SUNKGSAMSA-N 1 3 300.418 3.650 20 0 DHADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)nc1 ZINC000817980901 1029317473 /nfs/dbraw/zinc/31/74/73/1029317473.db2.gz FPNFOYJDUBLPKA-CZUORRHYSA-N 1 3 303.837 3.866 20 0 DHADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)cc1CN1CCCCC1 ZINC000818355919 1029381824 /nfs/dbraw/zinc/38/18/24/1029381824.db2.gz LBKGHDOSNVFEKI-DNVCBOLYSA-N 1 3 314.473 3.884 20 0 DHADHO CCC(O)(CC)C(C)(C)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000570652794 1029400199 /nfs/dbraw/zinc/40/01/99/1029400199.db2.gz VPYCFUZDBPLLBX-UHFFFAOYSA-N 1 3 310.526 3.560 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2ccccc2)[C@@H](C)C1 ZINC000120875799 1029414519 /nfs/dbraw/zinc/41/45/19/1029414519.db2.gz QRMZWDZZGZSYIR-SXLOBPIMSA-N 1 3 318.505 3.864 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2ccccc2)[C@@H](C)C1 ZINC000120875799 1029414523 /nfs/dbraw/zinc/41/45/23/1029414523.db2.gz QRMZWDZZGZSYIR-SXLOBPIMSA-N 1 3 318.505 3.864 20 0 DHADHO O[C@H](CNC1CC[NH+](CC2CCCCC2)CC1)CC1CCCC1 ZINC000818984000 1029447449 /nfs/dbraw/zinc/44/74/49/1029447449.db2.gz TVOLRSMKQPTKBV-FQEVSTJZSA-N 1 3 322.537 3.562 20 0 DHADHO O[C@H](C[NH2+]C1CCN(CC2CCCCC2)CC1)CC1CCCC1 ZINC000818984000 1029447458 /nfs/dbraw/zinc/44/74/58/1029447458.db2.gz TVOLRSMKQPTKBV-FQEVSTJZSA-N 1 3 322.537 3.562 20 0 DHADHO Cc1cnccc1CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000530216409 1029785017 /nfs/dbraw/zinc/78/50/17/1029785017.db2.gz BGNVKAGYPJAJIC-LEWJYISDSA-N 1 3 323.484 3.562 20 0 DHADHO Fc1cccc2c1C[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC001170960341 1029820877 /nfs/dbraw/zinc/82/08/77/1029820877.db2.gz CUFYMAMETCLBNP-KRWDZBQOSA-N 1 3 316.464 3.680 20 0 DHADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000470021190 1029991355 /nfs/dbraw/zinc/99/13/55/1029991355.db2.gz RTSDJQXFCUMCEG-LBPRGKRZSA-N 1 3 306.862 3.849 20 0 DHADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1ccc2[nH]cnc2c1 ZINC000530953232 1030098551 /nfs/dbraw/zinc/09/85/51/1030098551.db2.gz SCALAKCFNTXIKI-SJORKVTESA-N 1 3 314.477 3.553 20 0 DHADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1ccc2nc[nH]c2c1 ZINC000530953232 1030098568 /nfs/dbraw/zinc/09/85/68/1030098568.db2.gz SCALAKCFNTXIKI-SJORKVTESA-N 1 3 314.477 3.553 20 0 DHADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1ccc2[nH]cnc2c1 ZINC000530953229 1030100728 /nfs/dbraw/zinc/10/07/28/1030100728.db2.gz SCALAKCFNTXIKI-DLBZAZTESA-N 1 3 314.477 3.553 20 0 DHADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1ccc2nc[nH]c2c1 ZINC000530953229 1030100734 /nfs/dbraw/zinc/10/07/34/1030100734.db2.gz SCALAKCFNTXIKI-DLBZAZTESA-N 1 3 314.477 3.553 20 0 DHADHO C[C@H]1CCC[N@H+](CCCCN[C@H]2CCc3c2nccc3Cl)C1 ZINC000924684253 1030157049 /nfs/dbraw/zinc/15/70/49/1030157049.db2.gz DGFCNWCDCNOUNK-YOEHRIQHSA-N 1 3 321.896 3.824 20 0 DHADHO C[C@H]1CCC[N@@H+](CCCCN[C@H]2CCc3c2nccc3Cl)C1 ZINC000924684253 1030157053 /nfs/dbraw/zinc/15/70/53/1030157053.db2.gz DGFCNWCDCNOUNK-YOEHRIQHSA-N 1 3 321.896 3.824 20 0 DHADHO c1ccc(SC2CC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000924700376 1030162172 /nfs/dbraw/zinc/16/21/72/1030162172.db2.gz WKZBYTLQJZFGSV-CTMQZQKCSA-N 1 3 302.487 3.526 20 0 DHADHO c1ccc(SC2CC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000924700376 1030162181 /nfs/dbraw/zinc/16/21/81/1030162181.db2.gz WKZBYTLQJZFGSV-CTMQZQKCSA-N 1 3 302.487 3.526 20 0 DHADHO c1ccc(SC2CC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000924700377 1030163528 /nfs/dbraw/zinc/16/35/28/1030163528.db2.gz WKZBYTLQJZFGSV-JBCIKUTRSA-N 1 3 302.487 3.526 20 0 DHADHO c1ccc(SC2CC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000924700377 1030163536 /nfs/dbraw/zinc/16/35/36/1030163536.db2.gz WKZBYTLQJZFGSV-JBCIKUTRSA-N 1 3 302.487 3.526 20 0 DHADHO CCCC[NH+]1CCC(N(C)[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171014336 1030251125 /nfs/dbraw/zinc/25/11/25/1030251125.db2.gz YPKGRURXKQJXBM-GOSISDBHSA-N 1 3 318.480 3.879 20 0 DHADHO C[C@H]1CCc2ccc(F)cc2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000866368316 1030259380 /nfs/dbraw/zinc/25/93/80/1030259380.db2.gz ZXQXOAMJNYDVDV-UZXQVTOVSA-N 1 3 302.437 3.664 20 0 DHADHO C[C@H]1CCc2ccc(F)cc2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000866368316 1030259398 /nfs/dbraw/zinc/25/93/98/1030259398.db2.gz ZXQXOAMJNYDVDV-UZXQVTOVSA-N 1 3 302.437 3.664 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccnc(Cl)c1F ZINC000823653719 1030355078 /nfs/dbraw/zinc/35/50/78/1030355078.db2.gz BSMWNEUOFLXSIA-ZDUSSCGKSA-N 1 3 313.848 3.618 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccnc(Cl)c1F ZINC000823653719 1030355095 /nfs/dbraw/zinc/35/50/95/1030355095.db2.gz BSMWNEUOFLXSIA-ZDUSSCGKSA-N 1 3 313.848 3.618 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000925492432 1030375647 /nfs/dbraw/zinc/37/56/47/1030375647.db2.gz IPAAGLKWDFBYBS-PKOBYXMFSA-N 1 3 310.526 3.538 20 0 DHADHO CCOCCC1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCCC1 ZINC000925556130 1030401106 /nfs/dbraw/zinc/40/11/06/1030401106.db2.gz KLTDBXSPADSEHX-RTBURBONSA-N 1 3 322.537 3.731 20 0 DHADHO c1ccc(C[NH+]2CCC(N[C@H](c3cccnc3)C3CC3)CC2)cc1 ZINC000358352410 1030451158 /nfs/dbraw/zinc/45/11/58/1030451158.db2.gz IVVYBFNWSQKMDZ-NRFANRHFSA-N 1 3 321.468 3.787 20 0 DHADHO CC(C)(C)c1ccncc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925697959 1030458385 /nfs/dbraw/zinc/45/83/85/1030458385.db2.gz QAYXEVHNSNLWKH-LJQANCHMSA-N 1 3 311.473 3.949 20 0 DHADHO CCC1([NH3+])CCN([C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000925757456 1030483124 /nfs/dbraw/zinc/48/31/24/1030483124.db2.gz HDEQLHZPWCLRNB-MSOLQXFVSA-N 1 3 316.489 3.574 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Cl)cc1 ZINC000925778760 1030491423 /nfs/dbraw/zinc/49/14/23/1030491423.db2.gz KUNAJXUCIJFTSH-TZMCWYRMSA-N 1 3 302.796 3.626 20 0 DHADHO CCSc1ccccc1[C@H](C)[NH2+]C[C@H]1CNCCC1(F)F ZINC000925786519 1030497634 /nfs/dbraw/zinc/49/76/34/1030497634.db2.gz WRZXYMAAZYNEJB-QWHCGFSZSA-N 1 3 314.445 3.694 20 0 DHADHO CCSc1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925786928 1030498935 /nfs/dbraw/zinc/49/89/35/1030498935.db2.gz YCDSQLWMWQJCJR-GXTWGEPZSA-N 1 3 314.445 3.694 20 0 DHADHO C[C@@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1ccc2ccccc2c1 ZINC000925795776 1030499679 /nfs/dbraw/zinc/49/96/79/1030499679.db2.gz PVUWGIFHXFQJMO-OXQOHEQNSA-N 1 3 324.468 3.649 20 0 DHADHO c1cnc2ccc(CC[NH2+][C@H]3CCNC[C@H]3C3CCCC3)cc2c1 ZINC000925815363 1030509788 /nfs/dbraw/zinc/50/97/88/1030509788.db2.gz XBMRQQILWQMGKA-FPOVZHCZSA-N 1 3 323.484 3.535 20 0 DHADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c2ccccc21 ZINC000925838695 1030517101 /nfs/dbraw/zinc/51/71/01/1030517101.db2.gz NPPLSQOWZLKKOL-BRSBDYLESA-N 1 3 314.379 3.770 20 0 DHADHO Cc1ccc([C@H](NCC2(C)CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000926114111 1030621196 /nfs/dbraw/zinc/62/11/96/1030621196.db2.gz KCXSYLXRCILYAC-FQEVSTJZSA-N 1 3 323.484 3.801 20 0 DHADHO Cc1nc2c(s1)[C@H]([NH2+]C1CCN(CCC(C)C)CC1)CCC2 ZINC000926117120 1030623038 /nfs/dbraw/zinc/62/30/38/1030623038.db2.gz OZTLJAFCEWRNIQ-QGZVFWFLSA-N 1 3 321.534 3.929 20 0 DHADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246459450 1030786322 /nfs/dbraw/zinc/78/63/22/1030786322.db2.gz KFKKABINKICKFO-ITDIGPHOSA-N 1 3 301.261 3.784 20 0 DHADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1C[C@@](C)(N)C1 ZINC001246459450 1030786340 /nfs/dbraw/zinc/78/63/40/1030786340.db2.gz KFKKABINKICKFO-ITDIGPHOSA-N 1 3 301.261 3.784 20 0 DHADHO Cc1ccc([C@H](NCC[C@@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000926571799 1030800012 /nfs/dbraw/zinc/80/00/12/1030800012.db2.gz CMQSFEUPJWISKB-RXVVDRJESA-N 1 3 323.484 3.801 20 0 DHADHO Cc1ccc([C@H](NCC[C@@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000926571799 1030800024 /nfs/dbraw/zinc/80/00/24/1030800024.db2.gz CMQSFEUPJWISKB-RXVVDRJESA-N 1 3 323.484 3.801 20 0 DHADHO CCC[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ncccc1Cl ZINC000926574100 1030805957 /nfs/dbraw/zinc/80/59/57/1030805957.db2.gz RZFMFLFZPLMHFM-ZBFHGGJFSA-N 1 3 309.885 3.898 20 0 DHADHO CCC[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ncccc1Cl ZINC000926574100 1030805977 /nfs/dbraw/zinc/80/59/77/1030805977.db2.gz RZFMFLFZPLMHFM-ZBFHGGJFSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926698318 1030870665 /nfs/dbraw/zinc/87/06/65/1030870665.db2.gz ALZJWUFKUVEUCP-GKCIPKSASA-N 1 3 310.441 3.577 20 0 DHADHO C[C@H](O)[C@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000926731965 1030892122 /nfs/dbraw/zinc/89/21/22/1030892122.db2.gz NOCNTQFRWVCWFQ-FTRWYGJKSA-N 1 3 312.457 3.521 20 0 DHADHO CC(C)CCN1CCC([NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000926778851 1030921911 /nfs/dbraw/zinc/92/19/11/1030921911.db2.gz ONZLWASILPHVGQ-UXHICEINSA-N 1 3 316.489 3.617 20 0 DHADHO CC(C)CCN1CCC([NH2+]Cc2cccc3ncccc23)CC1 ZINC000926835583 1030948668 /nfs/dbraw/zinc/94/86/68/1030948668.db2.gz XGRGMVLJCRFZQP-UHFFFAOYSA-N 1 3 311.473 3.835 20 0 DHADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCCC1)CCCO2 ZINC000359615925 1031063783 /nfs/dbraw/zinc/06/37/83/1031063783.db2.gz AJCKTIYSDAENSN-GOSISDBHSA-N 1 3 302.462 3.674 20 0 DHADHO C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCCCO1 ZINC000347401811 1031221421 /nfs/dbraw/zinc/22/14/21/1031221421.db2.gz SGWATBOOYXILFJ-MOPGFXCFSA-N 1 3 308.510 3.534 20 0 DHADHO CC(C)[N@H+](CCCN)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139269 1031242521 /nfs/dbraw/zinc/24/25/21/1031242521.db2.gz KOKZOCMFNGWNNH-AWEZNQCLSA-N 1 3 315.288 3.910 20 0 DHADHO CC(C)[N@@H+](CCCN)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139269 1031242529 /nfs/dbraw/zinc/24/25/29/1031242529.db2.gz KOKZOCMFNGWNNH-AWEZNQCLSA-N 1 3 315.288 3.910 20 0 DHADHO CC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000872040741 1031426339 /nfs/dbraw/zinc/42/63/39/1031426339.db2.gz MVYUBCGQJFSSPJ-APWZRJJASA-N 1 3 308.510 3.578 20 0 DHADHO Fc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000191523204 1031429854 /nfs/dbraw/zinc/42/98/54/1031429854.db2.gz DTIDMBKAHJIAOO-UHFFFAOYSA-N 1 3 322.443 3.894 20 0 DHADHO Cc1cc(C)cc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000536855424 1031458116 /nfs/dbraw/zinc/45/81/16/1031458116.db2.gz AFNUXUHUQKTUQT-FHWLQOOXSA-N 1 3 318.505 3.843 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)o2)[C@H](C)C1 ZINC000929998102 1031671907 /nfs/dbraw/zinc/67/19/07/1031671907.db2.gz BRQSVPYWXDGXID-CRAIPNDOSA-N 1 3 313.445 3.504 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)o2)[C@H](C)C1 ZINC000929998102 1031671914 /nfs/dbraw/zinc/67/19/14/1031671914.db2.gz BRQSVPYWXDGXID-CRAIPNDOSA-N 1 3 313.445 3.504 20 0 DHADHO [NH3+]CCc1ccc(CNCc2ccc(SC(F)F)cc2)cc1 ZINC000841032024 1031724611 /nfs/dbraw/zinc/72/46/11/1031724611.db2.gz GTOSPDJZXIJNDL-UHFFFAOYSA-N 1 3 322.424 3.792 20 0 DHADHO c1ccc(CC2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000036237978 1031744659 /nfs/dbraw/zinc/74/46/59/1031744659.db2.gz IPPNTNSKOLFICB-UHFFFAOYSA-N 1 3 300.490 3.817 20 0 DHADHO Clc1ccc2c(c1)[C@@H](NCc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873211805 1031759584 /nfs/dbraw/zinc/75/95/84/1031759584.db2.gz BQPBYRPKHOOOKH-INIZCTEOSA-N 1 3 318.873 3.824 20 0 DHADHO Fc1cccc(C2(NCc3cc4c(s3)CC[NH2+]C4)CCC2)c1 ZINC000873213781 1031761003 /nfs/dbraw/zinc/76/10/03/1031761003.db2.gz PMFUNWKPHKOCDG-UHFFFAOYSA-N 1 3 316.445 3.702 20 0 DHADHO C[C@H](Cc1cccnc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000897971552 1031884741 /nfs/dbraw/zinc/88/47/41/1031884741.db2.gz ZMPSSYAJSKPDGN-QKLQHJQFSA-N 1 3 315.505 3.645 20 0 DHADHO C[C@H](Cc1cccnc1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000897969194 1031900146 /nfs/dbraw/zinc/90/01/46/1031900146.db2.gz GHSDDGKILIUWSB-HLIPFELVSA-N 1 3 315.505 3.645 20 0 DHADHO Cc1cccnc1[C@H]([NH2+]C1CCN(CC2CC2)CC1)C(C)(C)C ZINC000897995709 1031905046 /nfs/dbraw/zinc/90/50/46/1031905046.db2.gz RDKANCBLSNZDBC-IBGZPJMESA-N 1 3 315.505 3.941 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCOC34CCCC4)CC2)C1 ZINC000898110801 1031949559 /nfs/dbraw/zinc/94/95/59/1031949559.db2.gz HDTPSTKOPZUHLJ-BHIYHBOVSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCOC34CCCC4)CC2)C1 ZINC000898110801 1031949572 /nfs/dbraw/zinc/94/95/72/1031949572.db2.gz HDTPSTKOPZUHLJ-BHIYHBOVSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCOC23CCCC3)CC1 ZINC000898111191 1031949693 /nfs/dbraw/zinc/94/96/93/1031949693.db2.gz INFOHKNLCNIYRK-BHIYHBOVSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000044535401 1032056000 /nfs/dbraw/zinc/05/60/00/1032056000.db2.gz SHKPJZTVMIERQH-OLZOCXBDSA-N 1 3 300.368 3.698 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1C(F)(F)F ZINC000044535401 1032056017 /nfs/dbraw/zinc/05/60/17/1032056017.db2.gz SHKPJZTVMIERQH-OLZOCXBDSA-N 1 3 300.368 3.698 20 0 DHADHO CC[C@@H](N[C@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000643521514 1033331738 /nfs/dbraw/zinc/33/17/38/1033331738.db2.gz NQCBQLIUTYKKML-LSDHHAIUSA-N 1 3 311.267 3.632 20 0 DHADHO Brc1ccc([C@@H](N[C@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000643522556 1033338301 /nfs/dbraw/zinc/33/83/01/1033338301.db2.gz PGMMAMAEOCSEOV-HOTGVXAUSA-N 1 3 323.278 3.632 20 0 DHADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173039889 1033504498 /nfs/dbraw/zinc/50/44/98/1033504498.db2.gz RXXOKORMFOMONB-HDICACEKSA-N 1 3 322.537 3.683 20 0 DHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000553463410 1033706670 /nfs/dbraw/zinc/70/66/70/1033706670.db2.gz HSNOWYDPHNBFTQ-AZUAARDMSA-N 1 3 318.505 3.530 20 0 DHADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000553463410 1033706700 /nfs/dbraw/zinc/70/67/00/1033706700.db2.gz HSNOWYDPHNBFTQ-AZUAARDMSA-N 1 3 318.505 3.530 20 0 DHADHO CC[NH+](CC)CCn1cc(Nc2ccnc(C3CCC3)c2)cn1 ZINC001203255710 1033766996 /nfs/dbraw/zinc/76/69/96/1033766996.db2.gz BSLLIJHFXFUHMX-UHFFFAOYSA-N 1 3 313.449 3.631 20 0 DHADHO CC(C)[N@H+](CCCN)C1CCC2(CCc3ccccc32)CC1 ZINC001173685723 1033829511 /nfs/dbraw/zinc/82/95/11/1033829511.db2.gz BJEONHAYZONLKC-UHFFFAOYSA-N 1 3 300.490 3.872 20 0 DHADHO CC(C)[N@@H+](CCCN)C1CCC2(CCc3ccccc32)CC1 ZINC001173685723 1033829519 /nfs/dbraw/zinc/82/95/19/1033829519.db2.gz BJEONHAYZONLKC-UHFFFAOYSA-N 1 3 300.490 3.872 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000174628236 1033946816 /nfs/dbraw/zinc/94/68/16/1033946816.db2.gz LEGRLERNIHGYDP-DOMZBBRYSA-N 1 3 300.368 3.525 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)c2ccccc12 ZINC000480165331 1034108479 /nfs/dbraw/zinc/10/84/79/1034108479.db2.gz YYTFEIVINJBDMS-MRXNPFEDSA-N 1 3 312.457 3.985 20 0 DHADHO COc1ccc([C@@H](C)NCCC[NH+]2CCCC2)c2ccccc12 ZINC000480165331 1034108485 /nfs/dbraw/zinc/10/84/85/1034108485.db2.gz YYTFEIVINJBDMS-MRXNPFEDSA-N 1 3 312.457 3.985 20 0 DHADHO COC1(C[NH2+]C2CCN(CC3CCCC3)CC2)CCCCC1 ZINC000480309840 1034185202 /nfs/dbraw/zinc/18/52/02/1034185202.db2.gz LNHWRWWMPSYCHY-UHFFFAOYSA-N 1 3 308.510 3.580 20 0 DHADHO COC1(CNC2CC[NH+](CC3CCCC3)CC2)CCCCC1 ZINC000480309840 1034185209 /nfs/dbraw/zinc/18/52/09/1034185209.db2.gz LNHWRWWMPSYCHY-UHFFFAOYSA-N 1 3 308.510 3.580 20 0 DHADHO CCCCN1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000480342897 1034203879 /nfs/dbraw/zinc/20/38/79/1034203879.db2.gz PKGXQUTZKJINTG-UHFFFAOYSA-N 1 3 316.489 3.830 20 0 DHADHO c1ccc(CCCCN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000480546074 1034314274 /nfs/dbraw/zinc/31/42/74/1034314274.db2.gz FBZSRMWJPQDYBR-HXUWFJFHSA-N 1 3 300.490 3.817 20 0 DHADHO c1ccc(CCCC[N@@H+]2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000480546074 1034314289 /nfs/dbraw/zinc/31/42/89/1034314289.db2.gz FBZSRMWJPQDYBR-HXUWFJFHSA-N 1 3 300.490 3.817 20 0 DHADHO c1ccc(CCCC[N@H+]2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000480546074 1034314302 /nfs/dbraw/zinc/31/43/02/1034314302.db2.gz FBZSRMWJPQDYBR-HXUWFJFHSA-N 1 3 300.490 3.817 20 0 DHADHO CCc1nc2c(s1)[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)CCC2 ZINC000480913944 1034503744 /nfs/dbraw/zinc/50/37/44/1034503744.db2.gz YBVMHRZVWNUFSJ-HUUCEWRRSA-N 1 3 321.534 3.795 20 0 DHADHO CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)CCC2 ZINC000480913941 1034504976 /nfs/dbraw/zinc/50/49/76/1034504976.db2.gz YBVMHRZVWNUFSJ-CABCVRRESA-N 1 3 321.534 3.795 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](CCc2ccccc2)C(C)C)C1 ZINC000481016738 1034549740 /nfs/dbraw/zinc/54/97/40/1034549740.db2.gz BITXTXRVNABKRP-PMACEKPBSA-N 1 3 302.506 3.965 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)C1 ZINC000481320352 1034744160 /nfs/dbraw/zinc/74/41/60/1034744160.db2.gz ZQNVSWHCBJBQNL-GJZGRUSLSA-N 1 3 316.445 3.742 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)C1 ZINC000481320350 1034744342 /nfs/dbraw/zinc/74/43/42/1034744342.db2.gz ZQNVSWHCBJBQNL-CABCVRRESA-N 1 3 316.445 3.742 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)C1 ZINC000481320354 1034745413 /nfs/dbraw/zinc/74/54/13/1034745413.db2.gz ZQNVSWHCBJBQNL-HUUCEWRRSA-N 1 3 316.445 3.742 20 0 DHADHO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CCC[NH+]1CCCCC1 ZINC000482687288 1035161716 /nfs/dbraw/zinc/16/17/16/1035161716.db2.gz BRGOIKDUKIGRTP-FUHWJXTLSA-N 1 3 304.453 3.880 20 0 DHADHO COc1cccc2c1CC[C@@H]2N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000483208649 1035241157 /nfs/dbraw/zinc/24/11/57/1035241157.db2.gz ZBAUBTDVAHICRJ-FUHWJXTLSA-N 1 3 304.478 3.639 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000162528205 1035250014 /nfs/dbraw/zinc/25/00/14/1035250014.db2.gz BSUSGZSFZLAAHI-UHFFFAOYSA-N 1 3 318.358 3.809 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CCc3ccc4ccccc4c3)CC[C@@H]21 ZINC000483504874 1035274630 /nfs/dbraw/zinc/27/46/30/1035274630.db2.gz LZZRMPHWPJAAIU-SFTDATJTSA-N 1 3 308.469 3.798 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CCc3ccc4ccccc4c3)CC[C@@H]21 ZINC000483504874 1035274635 /nfs/dbraw/zinc/27/46/35/1035274635.db2.gz LZZRMPHWPJAAIU-SFTDATJTSA-N 1 3 308.469 3.798 20 0 DHADHO COc1ccccc1/C=C\CNCCC[N@H+](C)Cc1ccccc1 ZINC001177136784 1035352010 /nfs/dbraw/zinc/35/20/10/1035352010.db2.gz WQJTXTLNOHOGBJ-JYRVWZFOSA-N 1 3 324.468 3.820 20 0 DHADHO COc1ccccc1/C=C\CNCCC[N@@H+](C)Cc1ccccc1 ZINC001177136784 1035352016 /nfs/dbraw/zinc/35/20/16/1035352016.db2.gz WQJTXTLNOHOGBJ-JYRVWZFOSA-N 1 3 324.468 3.820 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2ccc3scnc3c2)CC1 ZINC001180123563 1035605243 /nfs/dbraw/zinc/60/52/43/1035605243.db2.gz BUTDBOHBBAYTTB-UHFFFAOYSA-N 1 3 317.502 3.850 20 0 DHADHO CCCCN1CCC([NH2+][C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191233653 1035671194 /nfs/dbraw/zinc/67/11/94/1035671194.db2.gz CVNKOYCTOGTMIJ-OAHLLOKOSA-N 1 3 306.498 3.688 20 0 DHADHO Cc1c([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)cnn1C(C)C ZINC000191293424 1035677337 /nfs/dbraw/zinc/67/73/37/1035677337.db2.gz JBMYONVELIXSPT-PBHICJAKSA-N 1 3 308.514 3.789 20 0 DHADHO Cc1c([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)cnn1C(C)C ZINC000191293472 1035677413 /nfs/dbraw/zinc/67/74/13/1035677413.db2.gz JBMYONVELIXSPT-WMLDXEAASA-N 1 3 308.514 3.789 20 0 DHADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1(CC)CC ZINC000539497114 1035756783 /nfs/dbraw/zinc/75/67/83/1035756783.db2.gz QHIKCCSZRYDPFI-RCCFBDPRSA-N 1 3 310.526 3.680 20 0 DHADHO C[C@H](Cc1cccc(F)c1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001168468828 1035918458 /nfs/dbraw/zinc/91/84/58/1035918458.db2.gz OVGYKLJOIYVQRZ-CQSZACIVSA-N 1 3 306.469 3.998 20 0 DHADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc3c(cccc3O)s2)C1 ZINC001181534522 1035934886 /nfs/dbraw/zinc/93/48/86/1035934886.db2.gz MDFKLABJRNGWIJ-XJKSGUPXSA-N 1 3 316.470 3.523 20 0 DHADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc3c(cccc3O)s2)C1 ZINC001181534522 1035934897 /nfs/dbraw/zinc/93/48/97/1035934897.db2.gz MDFKLABJRNGWIJ-XJKSGUPXSA-N 1 3 316.470 3.523 20 0 DHADHO CCCN(CCC[NH+](C)C)CCc1ccc(F)cc1Cl ZINC001181515716 1035938253 /nfs/dbraw/zinc/93/82/53/1035938253.db2.gz WVPOBHSBTSFLSP-UHFFFAOYSA-N 1 3 300.849 3.685 20 0 DHADHO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000540223120 1036017552 /nfs/dbraw/zinc/01/75/52/1036017552.db2.gz ZYPHJTUQFYFRIC-ZRGWGRIASA-N 1 3 316.489 3.792 20 0 DHADHO Cc1cc([C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)ccc1F ZINC000540261982 1036025913 /nfs/dbraw/zinc/02/59/13/1036025913.db2.gz UPIQQPCPEPXDJC-KUHUBIRLSA-N 1 3 302.437 3.659 20 0 DHADHO Cc1cc([C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CC2)ccc1F ZINC000540261982 1036025930 /nfs/dbraw/zinc/02/59/30/1036025930.db2.gz UPIQQPCPEPXDJC-KUHUBIRLSA-N 1 3 302.437 3.659 20 0 DHADHO Cc1ccc([C@@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)C2CCCC2)o1 ZINC000540474588 1036078246 /nfs/dbraw/zinc/07/82/46/1036078246.db2.gz CEBYSSHXYCYWJS-KXBFYZLASA-N 1 3 302.462 3.893 20 0 DHADHO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000540605544 1036109200 /nfs/dbraw/zinc/10/92/00/1036109200.db2.gz AUAHQVILULRHHR-KBXCAEBGSA-N 1 3 322.468 3.754 20 0 DHADHO C[C@@H]1CC(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)C[C@@H](C)C1 ZINC001182817153 1036464230 /nfs/dbraw/zinc/46/42/30/1036464230.db2.gz RERWLTDTBTZOKB-BEEJXANESA-N 1 3 322.537 3.682 20 0 DHADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC001182901315 1036481339 /nfs/dbraw/zinc/48/13/39/1036481339.db2.gz AYJNBTVNQLIJCU-YSIASYRMSA-N 1 3 300.490 3.953 20 0 DHADHO C/C(=C/c1ccccc1C(F)(F)F)CNC[C@@H](C)C[NH+](C)C ZINC000491598260 1036612683 /nfs/dbraw/zinc/61/26/83/1036612683.db2.gz DVPAGCKSBDSPQQ-RNQWEJQRSA-N 1 3 314.395 3.896 20 0 DHADHO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](C)CN(C)C ZINC000491598260 1036612691 /nfs/dbraw/zinc/61/26/91/1036612691.db2.gz DVPAGCKSBDSPQQ-RNQWEJQRSA-N 1 3 314.395 3.896 20 0 DHADHO Cc1cc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c(C)o1 ZINC001183697100 1036651989 /nfs/dbraw/zinc/65/19/89/1036651989.db2.gz PDRRJSCKJQLKAL-RTWAWAEBSA-N 1 3 324.468 3.850 20 0 DHADHO Cc1cc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c(C)o1 ZINC001183697100 1036652003 /nfs/dbraw/zinc/65/20/03/1036652003.db2.gz PDRRJSCKJQLKAL-RTWAWAEBSA-N 1 3 324.468 3.850 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@](C)([NH3+])CC1 ZINC001205280732 1036656371 /nfs/dbraw/zinc/65/63/71/1036656371.db2.gz HHYBGVZXQXDLKW-OAHLLOKOSA-N 1 3 300.368 3.717 20 0 DHADHO CC(C)[C@H](CNC1CC(c2ccccc2F)C1)[NH+]1CCCC1 ZINC000236672439 1036972434 /nfs/dbraw/zinc/97/24/34/1036972434.db2.gz BIFQZMLPHRENHF-RJYAGPCLSA-N 1 3 304.453 3.782 20 0 DHADHO CC(C)[C@@H](CNC1CC(c2ccccc2F)C1)[NH+]1CCCC1 ZINC000236691903 1036976372 /nfs/dbraw/zinc/97/63/72/1036976372.db2.gz BIFQZMLPHRENHF-LADRWXRNSA-N 1 3 304.453 3.782 20 0 DHADHO Clc1ccc(OCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000488417965 1037000650 /nfs/dbraw/zinc/00/06/50/1037000650.db2.gz HGKLKRYJYGSPEJ-UHFFFAOYSA-N 1 3 322.880 3.527 20 0 DHADHO CC(C)[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CS1 ZINC000488446242 1037030447 /nfs/dbraw/zinc/03/04/47/1037030447.db2.gz JXHSTUCKGJBLAE-SJLPKXTDSA-N 1 3 310.551 3.903 20 0 DHADHO CC(C)[C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000488446242 1037030462 /nfs/dbraw/zinc/03/04/62/1037030462.db2.gz JXHSTUCKGJBLAE-SJLPKXTDSA-N 1 3 310.551 3.903 20 0 DHADHO Cc1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c2ccccc2n1 ZINC000488724250 1037113812 /nfs/dbraw/zinc/11/38/12/1037113812.db2.gz XZCLIUYBXWVWAO-HNNXBMFYSA-N 1 3 309.457 3.854 20 0 DHADHO Cc1cc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c2ccccc2n1 ZINC000488724250 1037113816 /nfs/dbraw/zinc/11/38/16/1037113816.db2.gz XZCLIUYBXWVWAO-HNNXBMFYSA-N 1 3 309.457 3.854 20 0 DHADHO C[C@H](Cc1cccc(F)c1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001168455657 1037344650 /nfs/dbraw/zinc/34/46/50/1037344650.db2.gz HOTBYEUWZBGQEB-IXDOHACOSA-N 1 3 306.469 3.714 20 0 DHADHO C[C@H](Cc1cccc(F)c1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001168455657 1037344667 /nfs/dbraw/zinc/34/46/67/1037344667.db2.gz HOTBYEUWZBGQEB-IXDOHACOSA-N 1 3 306.469 3.714 20 0 DHADHO CC(C)[C@H]1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC001199923735 1037373092 /nfs/dbraw/zinc/37/30/92/1037373092.db2.gz AGZBSDNZVXNTFM-WOJBJXKFSA-N 1 3 322.537 3.824 20 0 DHADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000493945416 1037605034 /nfs/dbraw/zinc/60/50/34/1037605034.db2.gz QYLABNCHMNPCMG-AOIWGVFYSA-N 1 3 304.478 3.617 20 0 DHADHO Cc1nc2ccc(C[NH2+][C@@H]3CCC[C@H](N(C)C)C3)cc2s1 ZINC000494078734 1037642778 /nfs/dbraw/zinc/64/27/78/1037642778.db2.gz LPBVKZSCQCLFSV-CABCVRRESA-N 1 3 303.475 3.567 20 0 DHADHO C[C@@H]1CCC[C@H](CCN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629562012 1037870121 /nfs/dbraw/zinc/87/01/21/1037870121.db2.gz MGRMLLPWLIRHBC-KBUPBQIOSA-N 1 3 306.416 3.662 20 0 DHADHO C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000186330615 1037888021 /nfs/dbraw/zinc/88/80/21/1037888021.db2.gz NBAWZKYTDJFAPP-APWZRJJASA-N 1 3 317.521 3.530 20 0 DHADHO COCC[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000124475022 1037900875 /nfs/dbraw/zinc/90/08/75/1037900875.db2.gz QAUBVSRSCBODEJ-OAHLLOKOSA-N 1 3 324.896 3.567 20 0 DHADHO C[C@@H]1CC2(CC([NH2+]C3CCN(CC4CCCCC4)CC3)C2)CO1 ZINC000924857960 1037904296 /nfs/dbraw/zinc/90/42/96/1037904296.db2.gz WTLRBNUITMEZAK-PBPGXSGUSA-N 1 3 320.521 3.578 20 0 DHADHO CC(C)(C)CCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001202115300 1038043789 /nfs/dbraw/zinc/04/37/89/1038043789.db2.gz RLQPQDUSIKJILQ-RTBURBONSA-N 1 3 300.490 3.877 20 0 DHADHO CC(C)(C)CCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001202115300 1038043812 /nfs/dbraw/zinc/04/38/12/1038043812.db2.gz RLQPQDUSIKJILQ-RTBURBONSA-N 1 3 300.490 3.877 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(COCc3ccccc3)cc2)C1 ZINC000571537581 1038166833 /nfs/dbraw/zinc/16/68/33/1038166833.db2.gz KTCJNSGZQSWHPO-NHCUHLMSSA-N 1 3 324.468 3.763 20 0 DHADHO CCN(C/C=C\CN(CC)Cc1ccoc1)Cc1ccoc1 ZINC000588168933 1038265202 /nfs/dbraw/zinc/26/52/02/1038265202.db2.gz CLYJVPNITYVPRX-WAYWQWQTSA-N 1 3 302.418 3.773 20 0 DHADHO CCN(C/C=C\C[N@H+](CC)Cc1ccoc1)Cc1ccoc1 ZINC000588168933 1038265210 /nfs/dbraw/zinc/26/52/10/1038265210.db2.gz CLYJVPNITYVPRX-WAYWQWQTSA-N 1 3 302.418 3.773 20 0 DHADHO CCN(C/C=C\C[N@@H+](CC)Cc1ccoc1)Cc1ccoc1 ZINC000588168933 1038265218 /nfs/dbraw/zinc/26/52/18/1038265218.db2.gz CLYJVPNITYVPRX-WAYWQWQTSA-N 1 3 302.418 3.773 20 0 DHADHO COc1ccc(CN(Cc2ccc3c(c2)C[NH2+]CC3)C2CC2)cc1 ZINC000572048180 1038322938 /nfs/dbraw/zinc/32/29/38/1038322938.db2.gz IHONJUKIEDKFST-UHFFFAOYSA-N 1 3 322.452 3.506 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC000572205352 1038352068 /nfs/dbraw/zinc/35/20/68/1038352068.db2.gz FDZUUCJCROIIRQ-IKGGRYGDSA-N 1 3 304.478 3.507 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCSC2)ccc1OC ZINC000775412983 1038384041 /nfs/dbraw/zinc/38/40/41/1038384041.db2.gz SXLUNXVYBFTEOM-YOEHRIQHSA-N 1 3 322.518 3.693 20 0 DHADHO CC[NH+](CC)Cc1ccc(CNCc2n[nH]c3ccccc23)cc1 ZINC000589638195 1038524573 /nfs/dbraw/zinc/52/45/73/1038524573.db2.gz OIXKXHAMWFUSFL-UHFFFAOYSA-N 1 3 322.456 3.695 20 0 DHADHO CC[NH+](CC)Cc1ccc(CNCc2[nH]nc3ccccc32)cc1 ZINC000589638195 1038524583 /nfs/dbraw/zinc/52/45/83/1038524583.db2.gz OIXKXHAMWFUSFL-UHFFFAOYSA-N 1 3 322.456 3.695 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCCOc2ccccc2-c2ccccc2)C1 ZINC000573338599 1038914224 /nfs/dbraw/zinc/91/42/24/1038914224.db2.gz SMEHOWVPGNZFDI-MSOLQXFVSA-N 1 3 310.441 3.592 20 0 DHADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(c2ccc(F)cc2)CC1 ZINC000760881561 1038956124 /nfs/dbraw/zinc/95/61/24/1038956124.db2.gz MAYFJMGUQFSJTK-LJQANCHMSA-N 1 3 304.453 3.880 20 0 DHADHO C[N@H+]1CCCC[C@@H]1CCN1CCC(c2ccc(F)cc2)CC1 ZINC000760881561 1038956136 /nfs/dbraw/zinc/95/61/36/1038956136.db2.gz MAYFJMGUQFSJTK-LJQANCHMSA-N 1 3 304.453 3.880 20 0 DHADHO C[C@@H](N[C@H](C[NH3+])C1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000573793373 1039070337 /nfs/dbraw/zinc/07/03/37/1039070337.db2.gz IOQJROOGKXVBNO-FOIQADDNSA-N 1 3 309.457 3.917 20 0 DHADHO CN(c1ccccc1)c1ccc(CNC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000594785975 1039906265 /nfs/dbraw/zinc/90/62/65/1039906265.db2.gz ADNCOLAQCSHUGC-LJQANCHMSA-N 1 3 323.484 3.886 20 0 DHADHO CN(c1ccccc1)c1ccc(CNC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000594785975 1039906271 /nfs/dbraw/zinc/90/62/71/1039906271.db2.gz ADNCOLAQCSHUGC-LJQANCHMSA-N 1 3 323.484 3.886 20 0 DHADHO C[C@H](NC(C)(C)C[NH2+]Cc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000606913148 1040036204 /nfs/dbraw/zinc/03/62/04/1040036204.db2.gz HXQANTMGXNUMPU-HNNXBMFYSA-N 1 3 322.456 3.782 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000608067704 1040364842 /nfs/dbraw/zinc/36/48/42/1040364842.db2.gz NJEBTXMOTPYEGS-IAQYHMDHSA-N 1 3 301.261 3.813 20 0 DHADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccccc1F ZINC000092856857 185347043 /nfs/dbraw/zinc/34/70/43/185347043.db2.gz PVLPFHSJRGMXKX-HNNXBMFYSA-N 1 3 313.420 3.788 20 0 DHADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000092856868 185346897 /nfs/dbraw/zinc/34/68/97/185346897.db2.gz SGZTZHDMUHTOBV-HNNXBMFYSA-N 1 3 313.420 3.788 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000093944655 193331542 /nfs/dbraw/zinc/33/15/42/193331542.db2.gz KJKKJISZJCSVKO-DLBZAZTESA-N 1 3 303.494 3.524 20 0 DHADHO CC[NH+](CC)CCC[C@@H](C)NCc1ccc(Br)o1 ZINC000019914831 182164266 /nfs/dbraw/zinc/16/42/66/182164266.db2.gz PTIRKZHACYDLSN-GFCCVEGCSA-N 1 3 317.271 3.642 20 0 DHADHO CN(CC1(C[N@H+](C)C2CCCCC2)COC1)C1CCCCC1 ZINC000563846443 335048119 /nfs/dbraw/zinc/04/81/19/335048119.db2.gz GUKFYLAWISVSKS-UHFFFAOYSA-N 1 3 308.510 3.532 20 0 DHADHO CN(CC1(C[N@@H+](C)C2CCCCC2)COC1)C1CCCCC1 ZINC000563846443 335048120 /nfs/dbraw/zinc/04/81/20/335048120.db2.gz GUKFYLAWISVSKS-UHFFFAOYSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)[C@@H]1CCCN(C2CCC2)C1 ZINC000272668929 130051551 /nfs/dbraw/zinc/05/15/51/130051551.db2.gz JXRFNMVVSLWRKV-CRAIPNDOSA-N 1 3 311.473 3.911 20 0 DHADHO Cc1ccncc1CCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000278871206 130724045 /nfs/dbraw/zinc/72/40/45/130724045.db2.gz GEWOTLPMEFFXOV-IEBWSBKVSA-N 1 3 315.505 3.565 20 0 DHADHO COCc1cccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340185758 131020979 /nfs/dbraw/zinc/02/09/79/131020979.db2.gz PCPUQKZLOLAJOW-LEWJYISDSA-N 1 3 324.468 3.758 20 0 DHADHO COCc1cccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340185758 131020981 /nfs/dbraw/zinc/02/09/81/131020981.db2.gz PCPUQKZLOLAJOW-LEWJYISDSA-N 1 3 324.468 3.758 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCOC1(C)C ZINC000340186538 131027897 /nfs/dbraw/zinc/02/78/97/131027897.db2.gz SBRUGFZZQZUROQ-VQIMIIECSA-N 1 3 316.489 3.718 20 0 DHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCOC1(C)C ZINC000340186538 131027898 /nfs/dbraw/zinc/02/78/98/131027898.db2.gz SBRUGFZZQZUROQ-VQIMIIECSA-N 1 3 316.489 3.718 20 0 DHADHO COCCC[NH+]1CCC(N[C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000340218225 131213120 /nfs/dbraw/zinc/21/31/20/131213120.db2.gz GKSHAYZCSXEMST-MRXNPFEDSA-N 1 3 316.489 3.716 20 0 DHADHO C[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccncc1F ZINC000340308721 131370264 /nfs/dbraw/zinc/37/02/64/131370264.db2.gz CLLMTJZRBRXLBB-KLAILNCOSA-N 1 3 319.468 3.914 20 0 DHADHO C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1F ZINC000297711914 132030172 /nfs/dbraw/zinc/03/01/72/132030172.db2.gz RBUOJWPXZJEQTG-ZDUSSCGKSA-N 1 3 317.383 3.679 20 0 DHADHO c1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298134185 132047439 /nfs/dbraw/zinc/04/74/39/132047439.db2.gz QFUCPNUVYAKBDJ-LEWJYISDSA-N 1 3 321.468 3.976 20 0 DHADHO CC[NH+](CC)Cc1ccc(NC2CCN(C3CC3)CC2)cc1 ZINC000298165027 132049186 /nfs/dbraw/zinc/04/91/86/132049186.db2.gz SUXUSSHWFHRXBV-UHFFFAOYSA-N 1 3 301.478 3.567 20 0 DHADHO c1ccc(C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000298434713 132062761 /nfs/dbraw/zinc/06/27/61/132062761.db2.gz NFAFPABLDXSWDT-OAQYLSRUSA-N 1 3 321.468 3.661 20 0 DHADHO [NH3+][C@@H]1C[C@H](NC[C@@H](c2ccccc2)N2CCCC2)c2ccccc21 ZINC000261764027 332001319 /nfs/dbraw/zinc/00/13/19/332001319.db2.gz WAJHJCATJGPIFW-HKBOAZHASA-N 1 3 321.468 3.558 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NC[C@H](c2ccccc2)N2CCCC2)c2ccccc21 ZINC000261764030 332001408 /nfs/dbraw/zinc/00/14/08/332001408.db2.gz WAJHJCATJGPIFW-NJDAHSKKSA-N 1 3 321.468 3.558 20 0 DHADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000128091242 332009840 /nfs/dbraw/zinc/00/98/40/332009840.db2.gz ONHJPBZILICINU-NZSAHSFTSA-N 1 3 300.490 3.959 20 0 DHADHO C[C@H](CC(C)(C)c1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128091242 332009841 /nfs/dbraw/zinc/00/98/41/332009841.db2.gz ONHJPBZILICINU-NZSAHSFTSA-N 1 3 300.490 3.959 20 0 DHADHO C[C@H](CC(C)(C)c1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128091242 332009843 /nfs/dbraw/zinc/00/98/43/332009843.db2.gz ONHJPBZILICINU-NZSAHSFTSA-N 1 3 300.490 3.959 20 0 DHADHO C[NH+](C)[C@H](CNc1ccnc2ccccc21)c1cccc(F)c1 ZINC000518351934 332017104 /nfs/dbraw/zinc/01/71/04/332017104.db2.gz FPCFTWNDLWLCNT-LJQANCHMSA-N 1 3 309.388 3.511 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c(F)c1 ZINC000131783556 332033828 /nfs/dbraw/zinc/03/38/28/332033828.db2.gz IWHRFOLKVIAMFN-FFHGMXDLSA-N 1 3 306.425 3.500 20 0 DHADHO CC[C@H]1CC[C@@H]1[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000580109228 332945359 /nfs/dbraw/zinc/94/53/59/332945359.db2.gz MESKXFCCQRHEBC-ICSRJNTNSA-N 1 3 316.489 3.685 20 0 DHADHO CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000559854752 332285486 /nfs/dbraw/zinc/28/54/86/332285486.db2.gz LEMVHNMMLVXZAC-MISYRCLQSA-N 1 3 317.521 3.532 20 0 DHADHO CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000559854754 332285512 /nfs/dbraw/zinc/28/55/12/332285512.db2.gz LEMVHNMMLVXZAC-RLLQIKCJSA-N 1 3 317.521 3.532 20 0 DHADHO c1csc(CN2CCC(C[NH2+]C3CC4(CCC4)C3)CC2)c1 ZINC000448068801 332487691 /nfs/dbraw/zinc/48/76/91/332487691.db2.gz XOPGYEUPHIXQEB-UHFFFAOYSA-N 1 3 304.503 3.882 20 0 DHADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1cccnc1 ZINC000180157158 333027040 /nfs/dbraw/zinc/02/70/40/333027040.db2.gz BIYTWZJCKHZIET-LRGNLBRXSA-N 1 3 321.468 3.643 20 0 DHADHO CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1CCN(CC)C1 ZINC000314187392 333092533 /nfs/dbraw/zinc/09/25/33/333092533.db2.gz YCJGTVWPOSCZCS-LSDHHAIUSA-N 1 3 300.446 3.988 20 0 DHADHO CC(C)[N@H+](C)CC1CCN(CCSc2ccccc2)CC1 ZINC000522777170 333389225 /nfs/dbraw/zinc/38/92/25/333389225.db2.gz ZBDCFBJRAGTRSY-UHFFFAOYSA-N 1 3 306.519 3.831 20 0 DHADHO CC(C)[N@@H+](C)CC1CCN(CCSc2ccccc2)CC1 ZINC000522777170 333389227 /nfs/dbraw/zinc/38/92/27/333389227.db2.gz ZBDCFBJRAGTRSY-UHFFFAOYSA-N 1 3 306.519 3.831 20 0 DHADHO COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000390776564 333392109 /nfs/dbraw/zinc/39/21/09/333392109.db2.gz OZWBTDZPEAKLLD-IEBWSBKVSA-N 1 3 318.505 3.692 20 0 DHADHO COc1ccc(-c2ccc(CN[C@H]3CCC[C@@H]([NH3+])C3)s2)cc1 ZINC000571226403 333685474 /nfs/dbraw/zinc/68/54/74/333685474.db2.gz OOEVMKHGYYXNIF-CABCVRRESA-N 1 3 316.470 3.783 20 0 DHADHO CC[C@H](NCC1=CC[N@H+](C)CC1)c1ccccc1OC(F)F ZINC000271820824 334027236 /nfs/dbraw/zinc/02/72/36/334027236.db2.gz CJUAHADSECMNAR-HNNXBMFYSA-N 1 3 310.388 3.591 20 0 DHADHO CC[C@H](NCC1=CC[N@@H+](C)CC1)c1ccccc1OC(F)F ZINC000271820824 334027238 /nfs/dbraw/zinc/02/72/38/334027238.db2.gz CJUAHADSECMNAR-HNNXBMFYSA-N 1 3 310.388 3.591 20 0 DHADHO COc1ccc(-c2ccccc2C)cc1CN1CCC(C[NH3+])CC1 ZINC000414651058 334054926 /nfs/dbraw/zinc/05/49/26/334054926.db2.gz DUEIQNSLNCSIPP-UHFFFAOYSA-N 1 3 324.468 3.841 20 0 DHADHO C[NH2+]C[C@H]1CCCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414659212 334059000 /nfs/dbraw/zinc/05/90/00/334059000.db2.gz SIXNWWYQCXDYBA-ZIAGYGMSSA-N 1 3 314.395 3.740 20 0 DHADHO Cc1cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414663548 334061883 /nfs/dbraw/zinc/06/18/83/334061883.db2.gz SKGUPDOZVFGRAK-TZMCWYRMSA-N 1 3 300.368 3.573 20 0 DHADHO C[C@H](c1nc2ccccc2s1)N(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414675882 334066985 /nfs/dbraw/zinc/06/69/85/334066985.db2.gz GVRDXKNSCDFHIH-MCIONIFRSA-N 1 3 303.475 3.677 20 0 DHADHO C[C@@H]1CCCC[C@@H]1CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000414720461 334074167 /nfs/dbraw/zinc/07/41/67/334074167.db2.gz YQTTXRFCKSTISI-GGPKGHCWSA-N 1 3 315.505 3.852 20 0 DHADHO FC(F)(F)c1ccccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772930 334090436 /nfs/dbraw/zinc/09/04/36/334090436.db2.gz CTDWBVHLHLZEEN-UONOGXRCSA-N 1 3 312.379 3.527 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000343507483 335172547 /nfs/dbraw/zinc/17/25/47/335172547.db2.gz YASTWXWIIZKBME-FCGDIQPGSA-N 1 3 313.489 3.633 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000343507483 335172548 /nfs/dbraw/zinc/17/25/48/335172548.db2.gz YASTWXWIIZKBME-FCGDIQPGSA-N 1 3 313.489 3.633 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000343507483 335172549 /nfs/dbraw/zinc/17/25/49/335172549.db2.gz YASTWXWIIZKBME-FCGDIQPGSA-N 1 3 313.489 3.633 20 0 DHADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(OCC(F)F)cc2)cc1 ZINC000414803561 334102488 /nfs/dbraw/zinc/10/24/88/334102488.db2.gz DBPATBJUIBQGKE-ZDUSSCGKSA-N 1 3 320.383 3.640 20 0 DHADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414802031 334103266 /nfs/dbraw/zinc/10/32/66/334103266.db2.gz AYCCKDLJRUINDO-OAHLLOKOSA-N 1 3 319.493 3.634 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414822508 334108329 /nfs/dbraw/zinc/10/83/29/334108329.db2.gz MVQUUADYFRMNAB-JHJVBQTASA-N 1 3 300.899 3.700 20 0 DHADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000414825242 334109219 /nfs/dbraw/zinc/10/92/19/334109219.db2.gz GRIDOOXYQYQMAR-YGOACVGDSA-N 1 3 312.379 3.682 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)NCC1([NH3+])CCCCC1 ZINC000414837383 334111813 /nfs/dbraw/zinc/11/18/13/334111813.db2.gz HCWUVWSEBWVAJT-GFCCVEGCSA-N 1 3 300.899 3.974 20 0 DHADHO C[C@@H](NCc1ccc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414858324 334131839 /nfs/dbraw/zinc/13/18/39/334131839.db2.gz RKFILMAKIAHWDX-GDBMZVCRSA-N 1 3 300.471 3.893 20 0 DHADHO CNCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414862183 334133052 /nfs/dbraw/zinc/13/30/52/334133052.db2.gz VCSWEQIYUPAHQD-HUUCEWRRSA-N 1 3 300.368 3.541 20 0 DHADHO C[NH2+]CCCN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414862183 334133053 /nfs/dbraw/zinc/13/30/53/334133053.db2.gz VCSWEQIYUPAHQD-HUUCEWRRSA-N 1 3 300.368 3.541 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)NC[C@H]([NH3+])C1CC1 ZINC000414892059 334158543 /nfs/dbraw/zinc/15/85/43/334158543.db2.gz PFXSSCRUVLISQY-HIFRSBDPSA-N 1 3 301.261 3.641 20 0 DHADHO [NH3+][C@H](CN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000414894560 334159554 /nfs/dbraw/zinc/15/95/54/334159554.db2.gz TTYIGQCXMNSPIE-XHSDSOJGSA-N 1 3 312.379 3.668 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](N)C1)c1ccc(C(F)(F)F)cc1 ZINC000414920787 334181199 /nfs/dbraw/zinc/18/11/99/334181199.db2.gz ZGIGERYPAKOUTQ-BYCMXARLSA-N 1 3 300.368 3.668 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414926155 334187822 /nfs/dbraw/zinc/18/78/22/334187822.db2.gz MQIGCHKCWXQXBC-IJLUTSLNSA-N 1 3 301.261 3.784 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414926155 334187823 /nfs/dbraw/zinc/18/78/23/334187823.db2.gz MQIGCHKCWXQXBC-IJLUTSLNSA-N 1 3 301.261 3.784 20 0 DHADHO COC(C)(C)[C@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000340474997 334212096 /nfs/dbraw/zinc/21/20/96/334212096.db2.gz VCBZQNXQWSNZHM-INIZCTEOSA-N 1 3 304.478 3.576 20 0 DHADHO COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1CN1CCCCC1 ZINC000340474997 334212098 /nfs/dbraw/zinc/21/20/98/334212098.db2.gz VCBZQNXQWSNZHM-INIZCTEOSA-N 1 3 304.478 3.576 20 0 DHADHO c1ccc2cc(OCCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000415082441 334273306 /nfs/dbraw/zinc/27/33/06/334273306.db2.gz LSOFFGAKWSQOMV-HBMCJLEFSA-N 1 3 324.468 3.729 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](CNCc2c(Cl)cccc2N2CCCC2)C1 ZINC000414991220 334230828 /nfs/dbraw/zinc/23/08/28/334230828.db2.gz ATDALXHXHUUMSE-LSDHHAIUSA-N 1 3 321.896 3.547 20 0 DHADHO Cc1cccc(C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1 ZINC000414997647 334236488 /nfs/dbraw/zinc/23/64/88/334236488.db2.gz HQLSYRJJCOZYCZ-AZUAARDMSA-N 1 3 312.432 3.617 20 0 DHADHO FC(F)(F)c1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415036160 334260485 /nfs/dbraw/zinc/26/04/85/334260485.db2.gz FJYVPLIIOFOSNH-ZBFHGGJFSA-N 1 3 312.379 3.669 20 0 DHADHO [NH3+]CCC[C@@H](NCc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000415056299 334261636 /nfs/dbraw/zinc/26/16/36/334261636.db2.gz PUWFJPGQFQGHRV-MRXNPFEDSA-N 1 3 308.347 3.674 20 0 DHADHO CC(C)C[C@@H](N)C[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000415088133 334276424 /nfs/dbraw/zinc/27/64/24/334276424.db2.gz USRMEMNTMHUIQN-GOSISDBHSA-N 1 3 312.457 3.695 20 0 DHADHO C[C@@H]1C[C@@H](CN[C@H](CC(F)(F)F)c2ccc(F)cc2)CC[NH2+]1 ZINC000415089731 334279728 /nfs/dbraw/zinc/27/97/28/334279728.db2.gz WQLIYMVHCJBSJO-TYNCELHUSA-N 1 3 318.358 3.797 20 0 DHADHO CC(C)C[C@@H]([NH3+])CNC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415093628 334280705 /nfs/dbraw/zinc/28/07/05/334280705.db2.gz CHYFDYCODDIHRG-SWLSCSKDSA-N 1 3 302.384 3.772 20 0 DHADHO CCCN1CCC([N@H+](C)CCOc2ccccc2Cl)CC1 ZINC000111240566 334312318 /nfs/dbraw/zinc/31/23/18/334312318.db2.gz GFTRTNUOJOAMEH-UHFFFAOYSA-N 1 3 310.869 3.525 20 0 DHADHO CCCN1CCC([N@@H+](C)CCOc2ccccc2Cl)CC1 ZINC000111240566 334312319 /nfs/dbraw/zinc/31/23/19/334312319.db2.gz GFTRTNUOJOAMEH-UHFFFAOYSA-N 1 3 310.869 3.525 20 0 DHADHO COc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000535082850 334366707 /nfs/dbraw/zinc/36/67/07/334366707.db2.gz OKDWROSDSWTUKQ-UHFFFAOYSA-N 1 3 304.478 3.556 20 0 DHADHO COc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1C ZINC000535082850 334366708 /nfs/dbraw/zinc/36/67/08/334366708.db2.gz OKDWROSDSWTUKQ-UHFFFAOYSA-N 1 3 304.478 3.556 20 0 DHADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN(C)C)cc2)C12CCCC2 ZINC000344113808 335218340 /nfs/dbraw/zinc/21/83/40/335218340.db2.gz MSUWRDFJZUJQRJ-RTBURBONSA-N 1 3 316.489 3.576 20 0 DHADHO COCc1ccc(CNC2CCC([NH+]3CCC(C)CC3)CC2)o1 ZINC000344881488 335282633 /nfs/dbraw/zinc/28/26/33/335282633.db2.gz ILSBTXNOHLPGTG-UHFFFAOYSA-N 1 3 320.477 3.559 20 0 DHADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1oc2ccccc2c1C ZINC000165966331 335294870 /nfs/dbraw/zinc/29/48/70/335294870.db2.gz QBVLGRNOYBATBJ-CVEARBPZSA-N 1 3 318.461 3.749 20 0 DHADHO C([C@H]1CCC2(CCCCC2)O1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000190937533 335295068 /nfs/dbraw/zinc/29/50/68/335295068.db2.gz OSVDUABBXPQYBO-LJQANCHMSA-N 1 3 320.521 3.676 20 0 DHADHO CCc1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000352257592 336207451 /nfs/dbraw/zinc/20/74/51/336207451.db2.gz WAWVUTBJTDQOIM-UHFFFAOYSA-N 1 3 323.484 3.920 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1Cl ZINC000532454654 336248196 /nfs/dbraw/zinc/24/81/96/336248196.db2.gz JDHAFZRSTRNOHN-CQSZACIVSA-N 1 3 310.869 3.875 20 0 DHADHO CC(C)[C@H]([NH2+]Cc1ccc(OCCN2CCCC2)cc1)C1CC1 ZINC000532507222 336252848 /nfs/dbraw/zinc/25/28/48/336252848.db2.gz ZDHLAACLGGIAIC-FQEVSTJZSA-N 1 3 316.489 3.685 20 0 DHADHO Cc1ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192933917 336285285 /nfs/dbraw/zinc/28/52/85/336285285.db2.gz LYDKTPPZLXSJFJ-KRWDZBQOSA-N 1 3 300.471 3.668 20 0 DHADHO Cc1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000192933917 336285286 /nfs/dbraw/zinc/28/52/86/336285286.db2.gz LYDKTPPZLXSJFJ-KRWDZBQOSA-N 1 3 300.471 3.668 20 0 DHADHO CCCc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c2ccccc2n1 ZINC000301790550 336330090 /nfs/dbraw/zinc/33/00/90/336330090.db2.gz NFMCTUSIBDRQND-KRWDZBQOSA-N 1 3 309.457 3.862 20 0 DHADHO CCc1c(C)[nH+]c2ccccc2c1N1CC[C@@H](N2CC=CC2)C1 ZINC000302042973 336345070 /nfs/dbraw/zinc/34/50/70/336345070.db2.gz OFWBFEPKGXCLIQ-MRXNPFEDSA-N 1 3 307.441 3.556 20 0 DHADHO C[C@@H]1CC(C[NH2+]C2CCN(CC3CCCCC3)CC2)C[C@@H](C)O1 ZINC000369862713 336873272 /nfs/dbraw/zinc/87/32/72/336873272.db2.gz JUZGESSZMVZHNT-IAGOWNOFSA-N 1 3 322.537 3.824 20 0 DHADHO CC(C)C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000371486409 336906121 /nfs/dbraw/zinc/90/61/21/336906121.db2.gz WPHNLBORXIYCNO-AZUAARDMSA-N 1 3 322.537 3.967 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C/C=C/c1ccc(Cl)cc1)C2 ZINC000375758470 337018828 /nfs/dbraw/zinc/01/88/28/337018828.db2.gz AGCCRTVKOFDVNB-JAHQTHFBSA-N 1 3 304.865 3.910 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C/C=C/c1ccc(Cl)cc1)C2 ZINC000375758470 337018829 /nfs/dbraw/zinc/01/88/29/337018829.db2.gz AGCCRTVKOFDVNB-JAHQTHFBSA-N 1 3 304.865 3.910 20 0 DHADHO Cc1ccc(CNC[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000377759332 337060320 /nfs/dbraw/zinc/06/03/20/337060320.db2.gz GCVUEEQCAHJBFU-AEFFLSMTSA-N 1 3 300.471 3.839 20 0 DHADHO Cc1ccc(CNC[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)s1 ZINC000377759332 337060321 /nfs/dbraw/zinc/06/03/21/337060321.db2.gz GCVUEEQCAHJBFU-AEFFLSMTSA-N 1 3 300.471 3.839 20 0 DHADHO Cc1csc(C2CC[NH+](CC[C@@H]3CCCCN3C)CC2)n1 ZINC000378160813 337067430 /nfs/dbraw/zinc/06/74/30/337067430.db2.gz OIGYFKDOEGKZQK-INIZCTEOSA-N 1 3 307.507 3.505 20 0 DHADHO CCc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c2ccccc2n1 ZINC000582478535 337096225 /nfs/dbraw/zinc/09/62/25/337096225.db2.gz RAENAYYZWQZYPD-WBVHZDCISA-N 1 3 309.457 3.860 20 0 DHADHO CC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc(C)ccc1OC ZINC000179401119 337167786 /nfs/dbraw/zinc/16/77/86/337167786.db2.gz MXASVDJIUJJPRU-IBGZPJMESA-N 1 3 316.489 3.919 20 0 DHADHO FC1(F)CCC(CN2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000459333202 337170661 /nfs/dbraw/zinc/17/06/61/337170661.db2.gz ARVGZWKAWSUNAC-INIZCTEOSA-N 1 3 300.437 3.762 20 0 DHADHO C[C@@H]1C[C@@H](NCCc2nc(C3CCCCC3)cs2)CC[N@@H+]1C ZINC000181016116 337179327 /nfs/dbraw/zinc/17/93/27/337179327.db2.gz SVRGVQFNJMVVPP-ZBFHGGJFSA-N 1 3 321.534 3.806 20 0 DHADHO C[C@@H]1C[C@@H](NCCc2nc(C3CCCCC3)cs2)CC[N@H+]1C ZINC000181016116 337179328 /nfs/dbraw/zinc/17/93/28/337179328.db2.gz SVRGVQFNJMVVPP-ZBFHGGJFSA-N 1 3 321.534 3.806 20 0 DHADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C12CCC2 ZINC000183198518 337190285 /nfs/dbraw/zinc/19/02/85/337190285.db2.gz XCTLADPRJCRXPL-QFHJOOASSA-N 1 3 320.521 3.577 20 0 DHADHO Cc1nc2c(s1)[C@H]([NH2+]CC1(CN(C)C)CCCC1)CCC2 ZINC000183955289 337195822 /nfs/dbraw/zinc/19/58/22/337195822.db2.gz OIZIWBIUKMCDLF-CQSZACIVSA-N 1 3 307.507 3.541 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1 ZINC000398000932 337303450 /nfs/dbraw/zinc/30/34/50/337303450.db2.gz VZTUWMXLZCSXJH-WIYYLYMNSA-N 1 3 324.468 3.566 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1 ZINC000398000932 337303451 /nfs/dbraw/zinc/30/34/51/337303451.db2.gz VZTUWMXLZCSXJH-WIYYLYMNSA-N 1 3 324.468 3.566 20 0 DHADHO c1csc(CN(CC[C@H]2CC[NH2+]C2)Cc2cccs2)c1 ZINC000420321715 337499988 /nfs/dbraw/zinc/49/99/88/337499988.db2.gz RLFJUBPKAJHEKR-CQSZACIVSA-N 1 3 306.500 3.811 20 0 DHADHO COc1ccc([C@H](CN)C[NH2+][C@@H](c2ccccc2)C(C)C)cc1 ZINC000420377524 337500337 /nfs/dbraw/zinc/50/03/37/337500337.db2.gz SFEXIMUWDCKUGR-UYAOXDASSA-N 1 3 312.457 3.724 20 0 DHADHO Cc1ccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)s1 ZINC000162529714 337634490 /nfs/dbraw/zinc/63/44/90/337634490.db2.gz MDDFBJZBVKAZQC-OAHLLOKOSA-N 1 3 318.486 3.848 20 0 DHADHO c1csc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCCC2)c1 ZINC000422761193 337685393 /nfs/dbraw/zinc/68/53/93/337685393.db2.gz HJGUSBFCUXWQMA-XYPWUTKMSA-N 1 3 304.503 3.823 20 0 DHADHO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422769682 337685769 /nfs/dbraw/zinc/68/57/69/337685769.db2.gz WAJVWABBAYROTD-ICBNADEASA-N 1 3 322.537 3.728 20 0 DHADHO Cc1cccc(C(C)(C)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422776072 337685997 /nfs/dbraw/zinc/68/59/97/337685997.db2.gz CBYDCGUHPVQLFS-GUDVDZBRSA-N 1 3 300.490 3.783 20 0 DHADHO CCc1ccccc1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422785573 337686656 /nfs/dbraw/zinc/68/66/56/337686656.db2.gz PLPCVYUXAZWKHP-FPOVZHCZSA-N 1 3 322.452 3.595 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CCCc2ccccc21 ZINC000422810178 337687707 /nfs/dbraw/zinc/68/77/07/337687707.db2.gz SZRSCKCYFUDRSQ-RHSMWYFYSA-N 1 3 309.457 3.619 20 0 DHADHO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000422820397 337688087 /nfs/dbraw/zinc/68/80/87/337688087.db2.gz QJEPSIKNIDBCHJ-YYWYGQEZSA-N 1 3 310.551 3.951 20 0 DHADHO NC[C@H]1CCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422816952 337688094 /nfs/dbraw/zinc/68/80/94/337688094.db2.gz BTHSPBNNMULWAI-IUODEOHRSA-N 1 3 301.261 3.643 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825568 337688193 /nfs/dbraw/zinc/68/81/93/337688193.db2.gz JSMRSDRRUZDGAF-DQYPLSBCSA-N 1 3 324.415 3.643 20 0 DHADHO CC[C@H](CN[C@H](C)C[C@@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422840526 337688602 /nfs/dbraw/zinc/68/86/02/337688602.db2.gz TWCHLABJPRDURB-YRGRVCCFSA-N 1 3 318.383 3.578 20 0 DHADHO c1ccc2c(c1)CCS[C@@H]2CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422839244 337688667 /nfs/dbraw/zinc/68/86/67/337688667.db2.gz QCCDPVJELSIGNG-INDMIFKZSA-N 1 3 316.514 3.527 20 0 DHADHO c1sc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1C1CCCCC1 ZINC000422908352 337690824 /nfs/dbraw/zinc/69/08/24/337690824.db2.gz DFZBIKXQEFAURM-XYPWUTKMSA-N 1 3 319.518 3.606 20 0 DHADHO Clc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC000422912490 337691114 /nfs/dbraw/zinc/69/11/14/337691114.db2.gz WHDJVVOPLDBUMB-SJPCQFCGSA-N 1 3 304.865 3.634 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1ccccc1-c1ccccc1 ZINC000422939431 337692511 /nfs/dbraw/zinc/69/25/11/337692511.db2.gz RMDCIIFFEKUCPN-YLJYHZDGSA-N 1 3 324.468 3.710 20 0 DHADHO CC(C)(CCCc1ccccc1)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422979508 337693518 /nfs/dbraw/zinc/69/35/18/337693518.db2.gz JSPMWBQKQYIPEV-DFNIBXOVSA-N 1 3 300.490 3.908 20 0 DHADHO Cc1ccccc1O[C@H]1CCCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422994513 337693868 /nfs/dbraw/zinc/69/38/68/337693868.db2.gz HXWVNNBKAFAIIE-ZYGVUQDESA-N 1 3 314.473 3.558 20 0 DHADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423045536 337697003 /nfs/dbraw/zinc/69/70/03/337697003.db2.gz SOKJIQHJFGSAOF-MDASCCDHSA-N 1 3 302.437 3.739 20 0 DHADHO Cc1oc2ccccc2c1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423054832 337697376 /nfs/dbraw/zinc/69/73/76/337697376.db2.gz VGGONUVGQFSNPW-IPMKNSEASA-N 1 3 312.457 3.794 20 0 DHADHO Cc1ccccc1[C@H]([C@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21)N(C)C ZINC000423060293 337697776 /nfs/dbraw/zinc/69/77/76/337697776.db2.gz OBULKWRDZYGJGQ-NOOVBMIQSA-N 1 3 323.484 3.721 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423092023 337698897 /nfs/dbraw/zinc/69/88/97/337698897.db2.gz AEJMDKUXWLGSPA-SDADXPQNSA-N 1 3 312.379 3.668 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423093738 337699153 /nfs/dbraw/zinc/69/91/53/337699153.db2.gz AFZMDSFYVWDMMF-QCQGSNGOSA-N 1 3 313.272 3.956 20 0 DHADHO Cc1cccnc1C(C)(C)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423138394 337701253 /nfs/dbraw/zinc/70/12/53/337701253.db2.gz JEZOFXVFIHRATH-KZNAEPCWSA-N 1 3 315.505 3.568 20 0 DHADHO Cc1cc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)ccc1Cl ZINC000423140578 337701322 /nfs/dbraw/zinc/70/13/22/337701322.db2.gz MSUULVZJLHABGR-CYBMUJFWSA-N 1 3 317.864 3.704 20 0 DHADHO CCOc1ccc(Cl)cc1[C@H](C)NCC[C@@H]1CCC[NH2+]C1 ZINC000423254987 337707669 /nfs/dbraw/zinc/70/76/69/337707669.db2.gz AHCYMXHRXQTVQH-KBPBESRZSA-N 1 3 310.869 3.779 20 0 DHADHO Fc1ccc([C@@H](NCC[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423261379 337707971 /nfs/dbraw/zinc/70/79/71/337707971.db2.gz SBOZSZRQWNERAV-JXFKEZNVSA-N 1 3 312.432 3.894 20 0 DHADHO COc1cc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1SC ZINC000423274428 337708770 /nfs/dbraw/zinc/70/87/70/337708770.db2.gz KLPZPYZZCIPBCW-CFVMTHIKSA-N 1 3 308.491 3.585 20 0 DHADHO Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423277524 337708960 /nfs/dbraw/zinc/70/89/60/337708960.db2.gz OJBIXCNNIHLBGT-UBHSHLNASA-N 1 3 309.523 3.917 20 0 DHADHO C[C@@H](C[NH3+])CN[C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423300608 337711096 /nfs/dbraw/zinc/71/10/96/337711096.db2.gz SASVODMWLFRKKG-SMDDNHRTSA-N 1 3 319.449 3.511 20 0 DHADHO [NH3+]CCCCN[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423315881 337711675 /nfs/dbraw/zinc/71/16/75/337711675.db2.gz BEVBUNZPFAEFAF-QGZVFWFLSA-N 1 3 306.812 3.897 20 0 DHADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423398885 337715564 /nfs/dbraw/zinc/71/55/64/337715564.db2.gz UIWGDUVDJUZRDI-CYBMUJFWSA-N 1 3 300.833 3.664 20 0 DHADHO c1ccc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423384948 337717913 /nfs/dbraw/zinc/71/79/13/337717913.db2.gz LEFGZQLLQWPMHX-GHTZIAJQSA-N 1 3 306.453 3.791 20 0 DHADHO CN(C)Cc1ccc(C[NH2+]CCCCOc2ccccc2)cc1 ZINC000527116782 337731953 /nfs/dbraw/zinc/73/19/53/337731953.db2.gz CPZXCMIOXIUXQQ-UHFFFAOYSA-N 1 3 312.457 3.697 20 0 DHADHO CC[NH+](CC)CCCC1CCN(C/C=C/c2ccncc2)CC1 ZINC000426168158 338022000 /nfs/dbraw/zinc/02/20/00/338022000.db2.gz XZWCEGZRQNDFNF-VOTSOKGWSA-N 1 3 315.505 3.929 20 0 DHADHO C[N@@H+]1CC[C@@]2(CCN(CCCSc3ccccc3Cl)C2)C1 ZINC000428994445 338068180 /nfs/dbraw/zinc/06/81/80/338068180.db2.gz FSIHQPWESNWMMR-QGZVFWFLSA-N 1 3 324.921 3.850 20 0 DHADHO C[N@H+]1CC[C@@]2(CCN(CCCSc3ccccc3Cl)C2)C1 ZINC000428994445 338068181 /nfs/dbraw/zinc/06/81/81/338068181.db2.gz FSIHQPWESNWMMR-QGZVFWFLSA-N 1 3 324.921 3.850 20 0 DHADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429143682 338071827 /nfs/dbraw/zinc/07/18/27/338071827.db2.gz RMWQERNZVXDCTI-RDJZCZTQSA-N 1 3 324.921 3.991 20 0 DHADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429143682 338071828 /nfs/dbraw/zinc/07/18/28/338071828.db2.gz RMWQERNZVXDCTI-RDJZCZTQSA-N 1 3 324.921 3.991 20 0 DHADHO C[C@H](CCSc1ccccc1)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429539950 338083259 /nfs/dbraw/zinc/08/32/59/338083259.db2.gz METQVIPCDOTZKX-SJORKVTESA-N 1 3 306.519 3.973 20 0 DHADHO C[C@H](CCSc1ccccc1)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429539950 338083260 /nfs/dbraw/zinc/08/32/60/338083260.db2.gz METQVIPCDOTZKX-SJORKVTESA-N 1 3 306.519 3.973 20 0 DHADHO C[C@H](CCSc1ccccc1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000429539950 338083261 /nfs/dbraw/zinc/08/32/61/338083261.db2.gz METQVIPCDOTZKX-SJORKVTESA-N 1 3 306.519 3.973 20 0 DHADHO Cc1cc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)c(C)s1 ZINC000432418692 338155705 /nfs/dbraw/zinc/15/57/05/338155705.db2.gz UPUWNBAFXALZJD-HIFRSBDPSA-N 1 3 310.507 3.516 20 0 DHADHO Cc1cc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)c(C)s1 ZINC000432418692 338155706 /nfs/dbraw/zinc/15/57/06/338155706.db2.gz UPUWNBAFXALZJD-HIFRSBDPSA-N 1 3 310.507 3.516 20 0 DHADHO COc1ccc(C[N@@H+]2CCC[C@@H](N(C)C)CC2)c2ccccc12 ZINC000432799047 338168319 /nfs/dbraw/zinc/16/83/19/338168319.db2.gz VOFLPNZJQRVPRP-QGZVFWFLSA-N 1 3 312.457 3.765 20 0 DHADHO COc1ccc(C[N@H+]2CCC[C@@H](N(C)C)CC2)c2ccccc12 ZINC000432799047 338168320 /nfs/dbraw/zinc/16/83/20/338168320.db2.gz VOFLPNZJQRVPRP-QGZVFWFLSA-N 1 3 312.457 3.765 20 0 DHADHO Cc1ccc2cc(CN[C@H](CC[NH+](C)C)C(C)(C)C)ccc2n1 ZINC000438187211 338335667 /nfs/dbraw/zinc/33/56/67/338335667.db2.gz PLURDEBIIALKSD-LJQANCHMSA-N 1 3 313.489 3.999 20 0 DHADHO Cc1cc(F)c(CNCC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000459525550 339034082 /nfs/dbraw/zinc/03/40/82/339034082.db2.gz UYUMCQCGTWYFTD-UHFFFAOYSA-N 1 3 310.844 3.752 20 0 DHADHO CO[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C12CCC2 ZINC000459798380 339049126 /nfs/dbraw/zinc/04/91/26/339049126.db2.gz XMMVSFJFLFPUPU-WZGPROSRSA-N 1 3 320.521 3.577 20 0 DHADHO CO[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)C12CCC2 ZINC000459798380 339049127 /nfs/dbraw/zinc/04/91/27/339049127.db2.gz XMMVSFJFLFPUPU-WZGPROSRSA-N 1 3 320.521 3.577 20 0 DHADHO Cc1cccc2c1ncc(C)c2NC1CC[NH+](CC2CC2)CC1 ZINC000462492118 339080021 /nfs/dbraw/zinc/08/00/21/339080021.db2.gz FZCZWVNGADWRPK-UHFFFAOYSA-N 1 3 309.457 3.560 20 0 DHADHO CN(CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C1CCCCC1 ZINC000462791490 339088952 /nfs/dbraw/zinc/08/89/52/339088952.db2.gz LHZPCVBKXIKIQO-GBESFXJTSA-N 1 3 322.537 3.826 20 0 DHADHO C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000463267600 339112597 /nfs/dbraw/zinc/11/25/97/339112597.db2.gz PUXFKCQHOQJJLC-FMKPAKJESA-N 1 3 314.395 3.828 20 0 DHADHO C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000463267600 339112598 /nfs/dbraw/zinc/11/25/98/339112598.db2.gz PUXFKCQHOQJJLC-FMKPAKJESA-N 1 3 314.395 3.828 20 0 DHADHO CCCN(CCC)CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000464060405 339132313 /nfs/dbraw/zinc/13/23/13/339132313.db2.gz BVOYMBORCBBFEZ-GUDVDZBRSA-N 1 3 310.526 3.683 20 0 DHADHO C[N@H+](CCOc1ccccc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464842752 339156956 /nfs/dbraw/zinc/15/69/56/339156956.db2.gz LHLZNLACCIXVEK-FQEVSTJZSA-N 1 3 324.468 3.519 20 0 DHADHO C[N@@H+](CCOc1ccccc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464842752 339156957 /nfs/dbraw/zinc/15/69/57/339156957.db2.gz LHLZNLACCIXVEK-FQEVSTJZSA-N 1 3 324.468 3.519 20 0 DHADHO CC/C=C\CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000466236548 339197535 /nfs/dbraw/zinc/19/75/35/339197535.db2.gz PRLHMIPHCGSMSH-PLNGDYQASA-N 1 3 301.478 3.976 20 0 DHADHO CC/C=C\CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000466236548 339197536 /nfs/dbraw/zinc/19/75/36/339197536.db2.gz PRLHMIPHCGSMSH-PLNGDYQASA-N 1 3 301.478 3.976 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN2CCCC2)C1 ZINC000467372109 339234979 /nfs/dbraw/zinc/23/49/79/339234979.db2.gz ZIQSUUPFGCMJRZ-QXAKKESOSA-N 1 3 315.505 3.738 20 0 DHADHO COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H](C)CN1CCCCC1 ZINC000467389584 339236248 /nfs/dbraw/zinc/23/62/48/339236248.db2.gz LDISHDHCCXRHSN-KBXCAEBGSA-N 1 3 320.452 3.533 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@@H](C)C1 ZINC000468812134 339271505 /nfs/dbraw/zinc/27/15/05/339271505.db2.gz CTLZCICDTIQCCR-LPHOPBHVSA-N 1 3 316.489 3.828 20 0 DHADHO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000469303610 339285575 /nfs/dbraw/zinc/28/55/75/339285575.db2.gz VPUKKUANRISQPR-AOIWGVFYSA-N 1 3 318.505 3.992 20 0 DHADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000469853691 339302764 /nfs/dbraw/zinc/30/27/64/339302764.db2.gz KONVNAJXMVCMBZ-CHWSQXEVSA-N 1 3 304.434 3.723 20 0 DHADHO Cc1ccc2[nH]c(C[NH2+]C[C@@H]3CCCN(C(C)C)C3)cc2c1C ZINC000472049395 339360834 /nfs/dbraw/zinc/36/08/34/339360834.db2.gz QWAUAKPFWQDIJV-KRWDZBQOSA-N 1 3 313.489 3.995 20 0 DHADHO COc1cccc(C2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000472754998 339377113 /nfs/dbraw/zinc/37/71/13/339377113.db2.gz STUXJGJTYBKDDQ-LJQANCHMSA-N 1 3 316.489 3.749 20 0 DHADHO COc1cccc(C2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000472754998 339377114 /nfs/dbraw/zinc/37/71/14/339377114.db2.gz STUXJGJTYBKDDQ-LJQANCHMSA-N 1 3 316.489 3.749 20 0 DHADHO CN(CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C1CCCCC1 ZINC000474053302 339399496 /nfs/dbraw/zinc/39/94/96/339399496.db2.gz COONGGUPMQIKQW-MISYRCLQSA-N 1 3 322.537 3.826 20 0 DHADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)C(C)C)CC2)c1 ZINC000480218336 339563864 /nfs/dbraw/zinc/56/38/64/339563864.db2.gz CBUFLTDBHUZKFI-LJQANCHMSA-N 1 3 317.521 3.531 20 0 DHADHO COc1ccccc1[C@@H](C)NCCCC[NH+]1CCC(C)CC1 ZINC000480617284 339579862 /nfs/dbraw/zinc/57/98/62/339579862.db2.gz VICOEXZFZCABMW-QGZVFWFLSA-N 1 3 304.478 3.858 20 0 DHADHO Cc1cc2[nH]c(CN3CCC(CC[NH+](C)C)CC3)cc2c(C)c1 ZINC000481988032 339618675 /nfs/dbraw/zinc/61/86/75/339618675.db2.gz AUYAOGZLJBJEDC-UHFFFAOYSA-N 1 3 313.489 3.948 20 0 DHADHO CC(C)C[C@@H](C)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000499597013 340040236 /nfs/dbraw/zinc/04/02/36/340040236.db2.gz AKXDFFWWMGDVBQ-QGZVFWFLSA-N 1 3 303.494 3.912 20 0 DHADHO CC(C)C[C@@H](C)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000499597013 340040237 /nfs/dbraw/zinc/04/02/37/340040237.db2.gz AKXDFFWWMGDVBQ-QGZVFWFLSA-N 1 3 303.494 3.912 20 0 DHADHO C[C@H]([NH2+]CCCCC1CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000499624727 340041428 /nfs/dbraw/zinc/04/14/28/340041428.db2.gz JICIJKAQNSHNSR-HKUYNNGSSA-N 1 3 322.537 3.826 20 0 DHADHO C[C@H](c1ccccc1)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501042611 340073056 /nfs/dbraw/zinc/07/30/56/340073056.db2.gz BRMGADKZLONMCT-QGZVFWFLSA-N 1 3 309.457 3.991 20 0 DHADHO C[C@H](c1ccccc1)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501042611 340073057 /nfs/dbraw/zinc/07/30/57/340073057.db2.gz BRMGADKZLONMCT-QGZVFWFLSA-N 1 3 309.457 3.991 20 0 DHADHO C[N@H+](C/C=C\c1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000501069344 340073726 /nfs/dbraw/zinc/07/37/26/340073726.db2.gz PDUARAQJOBHHPW-YVMONPNESA-N 1 3 321.468 3.943 20 0 DHADHO C[N@@H+](C/C=C\c1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000501069344 340073727 /nfs/dbraw/zinc/07/37/27/340073727.db2.gz PDUARAQJOBHHPW-YVMONPNESA-N 1 3 321.468 3.943 20 0 DHADHO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000501876508 340089948 /nfs/dbraw/zinc/08/99/48/340089948.db2.gz NWOKJPHQSJOCDB-VQTJNVASSA-N 1 3 323.569 3.597 20 0 DHADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000501876506 340090255 /nfs/dbraw/zinc/09/02/55/340090255.db2.gz NWOKJPHQSJOCDB-PMACEKPBSA-N 1 3 323.569 3.597 20 0 DHADHO C[NH+]1CCC(C)(CNCc2ccc(Oc3ccccc3)o2)CC1 ZINC000503915261 340136701 /nfs/dbraw/zinc/13/67/01/340136701.db2.gz VKYZGPTUMFCILO-UHFFFAOYSA-N 1 3 314.429 3.893 20 0 DHADHO COc1cc([C@H](C)NCCCC[NH+]2CCC(C)CC2)ccc1F ZINC000504899838 340155370 /nfs/dbraw/zinc/15/53/70/340155370.db2.gz NFXHIRNIVVHHPU-INIZCTEOSA-N 1 3 322.468 3.997 20 0 DHADHO CCOc1cccc(CN2CCC(C[NH+](CC)CC)CC2)c1 ZINC000506925445 340203750 /nfs/dbraw/zinc/20/37/50/340203750.db2.gz IPIAVKQALSWOLE-UHFFFAOYSA-N 1 3 304.478 3.639 20 0 DHADHO CCC[N@@H+]1CC[C@H](CNC/C(C)=C\c2ccccc2COC)C1 ZINC000510122345 340289559 /nfs/dbraw/zinc/28/95/59/340289559.db2.gz VQIUBGWCRBXHEI-XUDLPTGHSA-N 1 3 316.489 3.558 20 0 DHADHO CCC[N@H+]1CC[C@H](CNC/C(C)=C\c2ccccc2COC)C1 ZINC000510122345 340289560 /nfs/dbraw/zinc/28/95/60/340289560.db2.gz VQIUBGWCRBXHEI-XUDLPTGHSA-N 1 3 316.489 3.558 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000510688739 340306852 /nfs/dbraw/zinc/30/68/52/340306852.db2.gz SIGHSBDPNQGRNJ-JEBQAFNWSA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000510688739 340306853 /nfs/dbraw/zinc/30/68/53/340306853.db2.gz SIGHSBDPNQGRNJ-JEBQAFNWSA-N 1 3 308.416 3.502 20 0 DHADHO CN(C)CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2CCCF)c1 ZINC000510753708 340309746 /nfs/dbraw/zinc/30/97/46/340309746.db2.gz PAUJGVKSBZTBMX-HKUYNNGSSA-N 1 3 322.468 3.635 20 0 DHADHO C[NH+](C)CC[C@@H](NC/C=C\c1ccc(F)c(F)c1)C(C)(C)C ZINC000512050637 340346741 /nfs/dbraw/zinc/34/67/41/340346741.db2.gz CYTBOWNTDYOUTG-JTGQJZMRSA-N 1 3 310.432 3.934 20 0 DHADHO CCC1(CC)[C@H]([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C[C@@H]1OC ZINC000512318380 340356873 /nfs/dbraw/zinc/35/68/73/340356873.db2.gz OTVRSSKTEZWGOS-JFRXWTBNSA-N 1 3 322.537 3.823 20 0 DHADHO Cc1cc(CNC2CC[NH+](Cc3ccccc3)CC2)cc(C)c1O ZINC000304300339 340362818 /nfs/dbraw/zinc/36/28/18/340362818.db2.gz SRPDBTTVFTYFBP-UHFFFAOYSA-N 1 3 324.468 3.763 20 0 DHADHO CSCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512632174 340370098 /nfs/dbraw/zinc/37/00/98/340370098.db2.gz XSIBSNZBYQHDDP-IPMKNSEASA-N 1 3 318.530 3.630 20 0 DHADHO CC[NH+]1CCC(CN[C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000521144995 340480979 /nfs/dbraw/zinc/48/09/79/340480979.db2.gz JJNRSLKUQJJLQR-CYBMUJFWSA-N 1 3 310.869 3.731 20 0 DHADHO Clc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000530244691 340783561 /nfs/dbraw/zinc/78/35/61/340783561.db2.gz MRJUMWZWVOFBFK-TVFCKZIOSA-N 1 3 304.865 3.838 20 0 DHADHO CCCN1CCC([N@H+](C)CCOc2ccc(SC)cc2)CC1 ZINC000072630390 341094514 /nfs/dbraw/zinc/09/45/14/341094514.db2.gz PRUUQVUVNWMESD-UHFFFAOYSA-N 1 3 322.518 3.594 20 0 DHADHO CCCN1CCC([N@@H+](C)CCOc2ccc(SC)cc2)CC1 ZINC000072630390 341094515 /nfs/dbraw/zinc/09/45/15/341094515.db2.gz PRUUQVUVNWMESD-UHFFFAOYSA-N 1 3 322.518 3.594 20 0 DHADHO C[C@H](NCC(C)(C)C[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000132139977 341117093 /nfs/dbraw/zinc/11/70/93/341117093.db2.gz IUEXZBXCNCRDHJ-KBPBESRZSA-N 1 3 319.518 3.966 20 0 DHADHO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)CN(C)C)cc1OCC ZINC000132175095 341117836 /nfs/dbraw/zinc/11/78/36/341117836.db2.gz YDVCUEBVOAKZOX-HNNXBMFYSA-N 1 3 322.493 3.722 20 0 DHADHO COc1ccc([C@@H](NCC2(C[NH+](C)C)CCCC2)C2CC2)cc1 ZINC000546226698 341158005 /nfs/dbraw/zinc/15/80/05/341158005.db2.gz AMDRSABKPYFZIG-IBGZPJMESA-N 1 3 316.489 3.858 20 0 DHADHO C[C@@H]1C[C@H]1c1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000564317716 341207153 /nfs/dbraw/zinc/20/71/53/341207153.db2.gz OBJGOONCUXLAET-QGPMSJSTSA-N 1 3 302.462 3.567 20 0 DHADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000261543602 341296506 /nfs/dbraw/zinc/29/65/06/341296506.db2.gz DBRWLBZUTRKYRE-TZIWHRDSSA-N 1 3 324.468 3.525 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000261543600 341296625 /nfs/dbraw/zinc/29/66/25/341296625.db2.gz DBRWLBZUTRKYRE-FPOVZHCZSA-N 1 3 324.468 3.525 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2cc3c(s2)CCCC3)[C@@H]2CCC[C@H]21 ZINC000552034846 341363774 /nfs/dbraw/zinc/36/37/74/341363774.db2.gz HOLAHIYGZLWODU-YESZJQIVSA-N 1 3 304.503 3.589 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cc3c(s2)CCCC3)[C@@H]2CCC[C@H]21 ZINC000552034846 341363775 /nfs/dbraw/zinc/36/37/75/341363775.db2.gz HOLAHIYGZLWODU-YESZJQIVSA-N 1 3 304.503 3.589 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cc3c(s2)CCCC3)[C@@H]2CCC[C@H]21 ZINC000552034846 341363776 /nfs/dbraw/zinc/36/37/76/341363776.db2.gz HOLAHIYGZLWODU-YESZJQIVSA-N 1 3 304.503 3.589 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@]2(O)CCCC2(C)C)CC1 ZINC000552111310 341370511 /nfs/dbraw/zinc/37/05/11/341370511.db2.gz WLWDYUWRKVNBQX-YVWKXTFCSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@]2(O)CCCC2(C)C)CC1 ZINC000552111310 341370512 /nfs/dbraw/zinc/37/05/12/341370512.db2.gz WLWDYUWRKVNBQX-YVWKXTFCSA-N 1 3 322.537 3.560 20 0 DHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccccc2F)[C@H](C)C1 ZINC000247979851 341371923 /nfs/dbraw/zinc/37/19/23/341371923.db2.gz MHEQHVPXHYKAQJ-MDZRGWNJSA-N 1 3 322.468 3.613 20 0 DHADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000261558419 341372169 /nfs/dbraw/zinc/37/21/69/341372169.db2.gz SJFWPFQLXJWZRS-CTNGQTDRSA-N 1 3 324.468 3.525 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248383637 341376048 /nfs/dbraw/zinc/37/60/48/341376048.db2.gz ATIHNRGBWSUNHF-WMZOPIPTSA-N 1 3 304.453 3.565 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248383637 341376049 /nfs/dbraw/zinc/37/60/49/341376049.db2.gz ATIHNRGBWSUNHF-WMZOPIPTSA-N 1 3 304.453 3.565 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248383637 341376050 /nfs/dbraw/zinc/37/60/50/341376050.db2.gz ATIHNRGBWSUNHF-WMZOPIPTSA-N 1 3 304.453 3.565 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248388474 341376246 /nfs/dbraw/zinc/37/62/46/341376246.db2.gz RDPOWRQFQJEUFX-AYBZRNKSSA-N 1 3 304.453 3.563 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248388474 341376247 /nfs/dbraw/zinc/37/62/47/341376247.db2.gz RDPOWRQFQJEUFX-AYBZRNKSSA-N 1 3 304.453 3.563 20 0 DHADHO CCC[NH+]1CCC(CN[C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000565732030 341536530 /nfs/dbraw/zinc/53/65/30/341536530.db2.gz DHRWHOYQNFDKPV-SFHVURJKSA-N 1 3 318.509 3.743 20 0 DHADHO c1c[nH]c([C@@H](NCCCCC[NH+]2CCCC2)C2CCCCC2)n1 ZINC000566611173 341563091 /nfs/dbraw/zinc/56/30/91/341563091.db2.gz GUSVVVCFLSAWFJ-SFHVURJKSA-N 1 3 318.509 3.887 20 0 DHADHO COc1cc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(C)C ZINC000567752731 341631692 /nfs/dbraw/zinc/63/16/92/341631692.db2.gz VYJAMCKTVFWYRK-UAGQMJEPSA-N 1 3 320.477 3.651 20 0 DHADHO CCC[NH+](CCC)CCCN[C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000576784511 341863136 /nfs/dbraw/zinc/86/31/36/341863136.db2.gz LMJVNACLQZFHSI-MSOLQXFVSA-N 1 3 320.525 3.548 20 0 DHADHO C[C@@H]1C[C@H](NCc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000515013575 518180764 /nfs/dbraw/zinc/18/07/64/518180764.db2.gz ITBDMDOGHNJXCW-UZLBHIALSA-N 1 3 324.468 3.965 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000337346104 519773320 /nfs/dbraw/zinc/77/33/20/519773320.db2.gz VTZRCZLLISUHJD-MSOLQXFVSA-N 1 3 318.505 3.822 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000337346104 519773321 /nfs/dbraw/zinc/77/33/21/519773321.db2.gz VTZRCZLLISUHJD-MSOLQXFVSA-N 1 3 318.505 3.822 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000159175657 523297067 /nfs/dbraw/zinc/29/70/67/523297067.db2.gz SSVNBMSUFWFMLS-OXQOHEQNSA-N 1 3 316.489 3.716 20 0 DHADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000338389414 523822650 /nfs/dbraw/zinc/82/26/50/523822650.db2.gz RYMSUCVHGBZHLP-ZIAGYGMSSA-N 1 3 304.400 3.525 20 0 DHADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000338389414 523822654 /nfs/dbraw/zinc/82/26/54/523822654.db2.gz RYMSUCVHGBZHLP-ZIAGYGMSSA-N 1 3 304.400 3.525 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccccn2)CC1 ZINC000158863651 524097328 /nfs/dbraw/zinc/09/73/28/524097328.db2.gz NEHKHUUJXLBDAE-QGZVFWFLSA-N 1 3 301.478 3.558 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccccn2)CC1 ZINC000158863651 524097341 /nfs/dbraw/zinc/09/73/41/524097341.db2.gz NEHKHUUJXLBDAE-QGZVFWFLSA-N 1 3 301.478 3.558 20 0 DHADHO Fc1ccc2oc(CNCCCCC[NH+]3CCCC3)cc2c1 ZINC000339504894 526378456 /nfs/dbraw/zinc/37/84/56/526378456.db2.gz LTMIQFZJCPJKIV-UHFFFAOYSA-N 1 3 304.409 3.928 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000297913827 535176850 /nfs/dbraw/zinc/17/68/50/535176850.db2.gz WSXBRLSSKLJHGD-GDBMZVCRSA-N 1 3 321.896 3.822 20 0 DHADHO CC1(c2ccccc2)CC([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298242728 535206525 /nfs/dbraw/zinc/20/65/25/535206525.db2.gz CODBQSJMKXCFKA-UHFFFAOYSA-N 1 3 321.468 3.760 20 0 DHADHO CCC[NH+]1CCC(CN[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180448179 1013090158 /nfs/dbraw/zinc/09/01/58/1013090158.db2.gz HNJGNAFFJRMBGM-NRFANRHFSA-N 1 3 323.484 3.883 20 0 DHADHO C[N@@H+]1CCC[C@@H](CNCc2ccc(-c3ccccc3)s2)C1 ZINC000044533225 1013099736 /nfs/dbraw/zinc/09/97/36/1013099736.db2.gz XIYPJWGDCCTENP-HNNXBMFYSA-N 1 3 300.471 3.847 20 0 DHADHO C[N@H+]1CCC[C@@H](CNCc2ccc(-c3ccccc3)s2)C1 ZINC000044533225 1013099752 /nfs/dbraw/zinc/09/97/52/1013099752.db2.gz XIYPJWGDCCTENP-HNNXBMFYSA-N 1 3 300.471 3.847 20 0 DHADHO C[NH2+]Cc1cn(-c2cc(N3CCCC3)ccn2)c2ccc(C)cc12 ZINC001167123515 1013225135 /nfs/dbraw/zinc/22/51/35/1013225135.db2.gz KZRAHYVYSAKCTE-UHFFFAOYSA-N 1 3 320.440 3.654 20 0 DHADHO COc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c2ccccc12 ZINC000325198313 1013679968 /nfs/dbraw/zinc/67/99/68/1013679968.db2.gz CRAZLTWMNMWONZ-PXNSSMCTSA-N 1 3 324.468 3.812 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281225 1013695590 /nfs/dbraw/zinc/69/55/90/1013695590.db2.gz PLEICSJVMVTXDF-HNAYVOBHSA-N 1 3 311.473 3.785 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281225 1013695596 /nfs/dbraw/zinc/69/55/96/1013695596.db2.gz PLEICSJVMVTXDF-HNAYVOBHSA-N 1 3 311.473 3.785 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281225 1013695598 /nfs/dbraw/zinc/69/55/98/1013695598.db2.gz PLEICSJVMVTXDF-HNAYVOBHSA-N 1 3 311.473 3.785 20 0 DHADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1csc(-c2ccccc2)n1 ZINC000655803843 1013727771 /nfs/dbraw/zinc/72/77/71/1013727771.db2.gz DZLAUDUQUZTMSH-OFQRWUPVSA-N 1 3 315.486 3.801 20 0 DHADHO CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@H]1CCCCO1 ZINC000655849410 1013775278 /nfs/dbraw/zinc/77/52/78/1013775278.db2.gz OOCXBAUBZOBMDH-OJAHFUOMSA-N 1 3 322.537 3.967 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)[C@H]1CCCCO1 ZINC000655849410 1013775283 /nfs/dbraw/zinc/77/52/83/1013775283.db2.gz OOCXBAUBZOBMDH-OJAHFUOMSA-N 1 3 322.537 3.967 20 0 DHADHO F[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000340525585 1013917164 /nfs/dbraw/zinc/91/71/64/1013917164.db2.gz WRZVNFWMQGANOV-HDDXRBDOSA-N 1 3 302.437 3.662 20 0 DHADHO Cc1ccncc1CCCNCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000580059257 1014010987 /nfs/dbraw/zinc/01/09/87/1014010987.db2.gz ZQZWUEHQTHIEJZ-IRXDYDNUSA-N 1 3 317.521 3.669 20 0 DHADHO CC[NH+](CC)C1CCC(NCC(=O)c2ccc(Cl)cc2)CC1 ZINC001173104613 1033543159 /nfs/dbraw/zinc/54/31/59/1033543159.db2.gz JMVPGWJCIIVJOC-UHFFFAOYSA-N 1 3 322.880 3.765 20 0 DHADHO c1cc2cc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2cn1 ZINC000683831837 1014056367 /nfs/dbraw/zinc/05/63/67/1014056367.db2.gz JICCOQDAZHBMTP-CTNGQTDRSA-N 1 3 321.468 3.684 20 0 DHADHO c1cc2cc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2cn1 ZINC000683831837 1014056377 /nfs/dbraw/zinc/05/63/77/1014056377.db2.gz JICCOQDAZHBMTP-CTNGQTDRSA-N 1 3 321.468 3.684 20 0 DHADHO c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001167429368 1014281914 /nfs/dbraw/zinc/28/19/14/1014281914.db2.gz ISPCXEMLFRJKFS-UYAOXDASSA-N 1 3 312.501 3.914 20 0 DHADHO c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001167429368 1014281920 /nfs/dbraw/zinc/28/19/20/1014281920.db2.gz ISPCXEMLFRJKFS-UYAOXDASSA-N 1 3 312.501 3.914 20 0 DHADHO c1ccc2c(c1)CC[C@@H]2CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001167429368 1014281931 /nfs/dbraw/zinc/28/19/31/1014281931.db2.gz ISPCXEMLFRJKFS-UYAOXDASSA-N 1 3 312.501 3.914 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC000665239008 1014512364 /nfs/dbraw/zinc/51/23/64/1014512364.db2.gz KBIVJLLBHJYRBD-KSMMKXTCSA-N 1 3 303.494 3.962 20 0 DHADHO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC12CC(C1)CN2 ZINC000665279855 1014662110 /nfs/dbraw/zinc/66/21/10/1014662110.db2.gz NQZVCKJNKDEQSK-BQTBQCLESA-N 1 3 311.473 3.566 20 0 DHADHO Clc1cccc([C@H]2CCC[C@H]([NH2+]CC34CC(C3)CN4)C2)c1 ZINC000665279421 1014666080 /nfs/dbraw/zinc/66/60/80/1014666080.db2.gz BYGXLUNXLRBNJA-LVMNEVGRSA-N 1 3 304.865 3.708 20 0 DHADHO Cc1ccccc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656682317 1015063985 /nfs/dbraw/zinc/06/39/85/1015063985.db2.gz ATSOBRITDIOZAM-GOSISDBHSA-N 1 3 323.484 3.953 20 0 DHADHO CCCn1nc(C)c(CN(C)CCCC[NH+]2CCCCC2)c1C ZINC000895683950 1015263227 /nfs/dbraw/zinc/26/32/27/1015263227.db2.gz YSWHJHXPSUGMMA-UHFFFAOYSA-N 1 3 320.525 3.608 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000341695212 1015674928 /nfs/dbraw/zinc/67/49/28/1015674928.db2.gz JZBJATRPXVSYFO-KXBFYZLASA-N 1 3 304.453 3.913 20 0 DHADHO CC(C)CCC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccccc1 ZINC000361891482 1032144749 /nfs/dbraw/zinc/14/47/49/1032144749.db2.gz XNLDTKCXKJKYRP-IBGZPJMESA-N 1 3 318.505 3.600 20 0 DHADHO CN(C)CC(C)(C)C[NH+]1CCC(Oc2ccc(Cl)cc2)CC1 ZINC001207278704 1016409863 /nfs/dbraw/zinc/40/98/63/1016409863.db2.gz CALLCGNCUMFMCU-UHFFFAOYSA-N 1 3 324.896 3.771 20 0 DHADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2cc(-c3ccccc3)cs2)C1 ZINC000347056556 1016708866 /nfs/dbraw/zinc/70/88/66/1016708866.db2.gz VLKVOCDNYOFWDF-HOCLYGCPSA-N 1 3 300.471 3.974 20 0 DHADHO C[N@@H+]1CC[C@H](NCCSc2ccc(Cl)cc2)CC1(C)C ZINC000623340830 1016972933 /nfs/dbraw/zinc/97/29/33/1016972933.db2.gz BCGANFSMQMADFX-AWEZNQCLSA-N 1 3 312.910 3.895 20 0 DHADHO C[N@H+]1CC[C@H](NCCSc2ccc(Cl)cc2)CC1(C)C ZINC000623340830 1016972951 /nfs/dbraw/zinc/97/29/51/1016972951.db2.gz BCGANFSMQMADFX-AWEZNQCLSA-N 1 3 312.910 3.895 20 0 DHADHO CCCCOc1cccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000623359780 1016989820 /nfs/dbraw/zinc/98/98/20/1016989820.db2.gz ATWMDZMZWHLRPE-QGZVFWFLSA-N 1 3 304.478 3.828 20 0 DHADHO CN1CC[C@@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)CC1(C)C ZINC000623496359 1017078969 /nfs/dbraw/zinc/07/89/69/1017078969.db2.gz RXGRMNIYHOXPTJ-HUUCEWRRSA-N 1 3 314.395 3.795 20 0 DHADHO CC1(C)CC([NH3+])CC(C)(C)N1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171340083 1032449867 /nfs/dbraw/zinc/44/98/67/1032449867.db2.gz HQBNBULWDJOXNC-OAHLLOKOSA-N 1 3 322.443 3.802 20 0 DHADHO COC(C)(C)C[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000121986272 1032497907 /nfs/dbraw/zinc/49/79/07/1032497907.db2.gz TZQZFAYIXQYOFQ-BQFCYCMXSA-N 1 3 310.526 3.823 20 0 DHADHO NCCC[N@H+](C1CCCCC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171395779 1032579146 /nfs/dbraw/zinc/57/91/46/1032579146.db2.gz IFLRBVWBZSUGBL-QGZVFWFLSA-N 1 3 304.453 3.667 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171395779 1032579154 /nfs/dbraw/zinc/57/91/54/1032579154.db2.gz IFLRBVWBZSUGBL-QGZVFWFLSA-N 1 3 304.453 3.667 20 0 DHADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171403587 1032590526 /nfs/dbraw/zinc/59/05/26/1032590526.db2.gz ZBUAMLIBOAWXOG-OAHLLOKOSA-N 1 3 304.453 3.663 20 0 DHADHO CC1(C)CC([NH3+])CC(C)(C)N1[C@@H]1CCc2c(F)cccc2C1 ZINC001171403587 1032590536 /nfs/dbraw/zinc/59/05/36/1032590536.db2.gz ZBUAMLIBOAWXOG-OAHLLOKOSA-N 1 3 304.453 3.663 20 0 DHADHO CC(C)[C@@H](CCc1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546094 1012094932 /nfs/dbraw/zinc/09/49/32/1012094932.db2.gz IFLAGHRWAHAIJI-RBUKOAKNSA-N 1 3 300.490 3.908 20 0 DHADHO CC(C)n1cncc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000425329790 1012457755 /nfs/dbraw/zinc/45/77/55/1012457755.db2.gz ANDRTNVCGJFTNI-UHFFFAOYSA-N 1 3 318.509 3.552 20 0 DHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCC=CO1 ZINC000253354896 1012627456 /nfs/dbraw/zinc/62/74/56/1012627456.db2.gz QVNMPVGZFOTXNM-VQTJNVASSA-N 1 3 314.473 3.523 20 0 DHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCC=CO1 ZINC000253354896 1012627467 /nfs/dbraw/zinc/62/74/67/1012627467.db2.gz QVNMPVGZFOTXNM-VQTJNVASSA-N 1 3 314.473 3.523 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000517168226 1012922048 /nfs/dbraw/zinc/92/20/48/1012922048.db2.gz UVWYJXUKTHLQDI-QAPCUYQASA-N 1 3 310.441 3.674 20 0 DHADHO [NH3+]C[C@@H]1CC[C@H](NCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000666962206 1032670546 /nfs/dbraw/zinc/67/05/46/1032670546.db2.gz LLZZBLOJONHTJA-BDAKNGLRSA-N 1 3 307.652 3.864 20 0 DHADHO C[C@@H](C[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl)CN(C)C ZINC000425918656 1012957665 /nfs/dbraw/zinc/95/76/65/1012957665.db2.gz ICNGOSKPRYRFBG-RYUDHWBXSA-N 1 3 303.277 3.712 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl)CN(C)C ZINC000425918652 1012958877 /nfs/dbraw/zinc/95/88/77/1012958877.db2.gz ICNGOSKPRYRFBG-NEPJUHHUSA-N 1 3 303.277 3.712 20 0 DHADHO C[NH+](C)CC1CCN(CCc2ccc(Cl)cc2Cl)CC1 ZINC001209082444 1012979505 /nfs/dbraw/zinc/97/95/05/1012979505.db2.gz SEHVHYGXAVJXMQ-UHFFFAOYSA-N 1 3 315.288 3.810 20 0 DHADHO C[C@@H]1C[C@H](CC[NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC000366682682 1012984604 /nfs/dbraw/zinc/98/46/04/1012984604.db2.gz TZIIDPAQIVKHIP-QZTJIDSGSA-N 1 3 322.537 3.826 20 0 DHADHO C[C@@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)CN(C)C ZINC000425942730 1012988992 /nfs/dbraw/zinc/98/89/92/1012988992.db2.gz GLUIXFWFRDFTHP-BONVTDFDSA-N 1 3 301.261 3.768 20 0 DHADHO CC[C@@H](NCc1ccccc1C[N@H+](C)C(C)C)c1cnn(C)c1 ZINC000154844087 1013032388 /nfs/dbraw/zinc/03/23/88/1013032388.db2.gz XKTAQLNXSZYWIR-LJQANCHMSA-N 1 3 314.477 3.501 20 0 DHADHO CC[C@@H](NCc1ccccc1C[N@@H+](C)C(C)C)c1cnn(C)c1 ZINC000154844087 1013032401 /nfs/dbraw/zinc/03/24/01/1013032401.db2.gz XKTAQLNXSZYWIR-LJQANCHMSA-N 1 3 314.477 3.501 20 0 DHADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000178036434 1017151997 /nfs/dbraw/zinc/15/19/97/1017151997.db2.gz NGHQARCIHPZNTG-OWCLPIDISA-N 1 3 310.507 3.678 20 0 DHADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1ccc(F)c2cccnc12 ZINC000075861169 1017345513 /nfs/dbraw/zinc/34/55/13/1017345513.db2.gz XPAKHKAULASLFP-MRXNPFEDSA-N 1 3 315.436 3.680 20 0 DHADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1ccc(F)c2cccnc12 ZINC000075861169 1017345528 /nfs/dbraw/zinc/34/55/28/1017345528.db2.gz XPAKHKAULASLFP-MRXNPFEDSA-N 1 3 315.436 3.680 20 0 DHADHO c1ccc(OCCCCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834947 1017365341 /nfs/dbraw/zinc/36/53/41/1017365341.db2.gz YXOUCIVJYBWYMD-IBGZPJMESA-N 1 3 316.489 3.653 20 0 DHADHO C[C@@]1(F)CCN(Cc2ccccc2CN2CC[C@@](C)(F)C2)C1 ZINC000347334872 1017490463 /nfs/dbraw/zinc/49/04/63/1017490463.db2.gz ACLJHVLXWXHMLQ-QZTJIDSGSA-N 1 3 308.416 3.554 20 0 DHADHO CCC1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000657612996 1017573414 /nfs/dbraw/zinc/57/34/14/1017573414.db2.gz SXKVDATZGQLGQL-UHFFFAOYSA-N 1 3 315.505 3.852 20 0 DHADHO c1cc(CN2CCC(C[NH2+]C3CCCCCC3)CC2)ccn1 ZINC000657612986 1017573887 /nfs/dbraw/zinc/57/38/87/1017573887.db2.gz SQZRUYALFILCNF-UHFFFAOYSA-N 1 3 301.478 3.606 20 0 DHADHO CCCCN(C)CCC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454014 1032715066 /nfs/dbraw/zinc/71/50/66/1032715066.db2.gz QNLLOJCYHGENTC-INIZCTEOSA-N 1 3 310.432 3.534 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(OC(F)F)cc1 ZINC000624120456 1017692389 /nfs/dbraw/zinc/69/23/89/1017692389.db2.gz ZNCHVWLLTTYABJ-KGLIPLIRSA-N 1 3 312.404 3.671 20 0 DHADHO COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CCCCN(C)C3)oc21 ZINC000624122060 1017696162 /nfs/dbraw/zinc/69/61/62/1017696162.db2.gz IXYMSWZUOALDIU-CABCVRRESA-N 1 3 316.445 3.824 20 0 DHADHO C[N@@H+]1CCCC[C@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124212 1017698479 /nfs/dbraw/zinc/69/84/79/1017698479.db2.gz ZXNAPRGNLLIMCJ-BEFAXECRSA-N 1 3 311.473 3.867 20 0 DHADHO C[N@H+]1CCCC[C@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124212 1017698484 /nfs/dbraw/zinc/69/84/84/1017698484.db2.gz ZXNAPRGNLLIMCJ-BEFAXECRSA-N 1 3 311.473 3.867 20 0 DHADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124212 1017698492 /nfs/dbraw/zinc/69/84/92/1017698492.db2.gz ZXNAPRGNLLIMCJ-BEFAXECRSA-N 1 3 311.473 3.867 20 0 DHADHO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183361509 1018014028 /nfs/dbraw/zinc/01/40/28/1018014028.db2.gz OQZWNFALQDZWJC-WMZOPIPTSA-N 1 3 306.469 3.811 20 0 DHADHO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000185669239 1018122790 /nfs/dbraw/zinc/12/27/90/1018122790.db2.gz JTRPHFOEOQIZKH-ZBFHGGJFSA-N 1 3 322.443 3.750 20 0 DHADHO Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000185715576 1018126368 /nfs/dbraw/zinc/12/63/68/1018126368.db2.gz IKXIDJBLSARZIB-IEBWSBKVSA-N 1 3 300.490 3.780 20 0 DHADHO CCO[C@H]1C[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000658161318 1018178493 /nfs/dbraw/zinc/17/84/93/1018178493.db2.gz LSGZWTYBCXLGKJ-QAQDUYKDSA-N 1 3 310.526 3.823 20 0 DHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccs1 ZINC000658168526 1018201998 /nfs/dbraw/zinc/20/19/98/1018201998.db2.gz URKBWHOXXFJUMX-OAHLLOKOSA-N 1 3 315.486 3.706 20 0 DHADHO CC1(C)CC2(CC([NH2+]C3CCN(C4CCCCC4)CC3)C2)CO1 ZINC000925204246 1018511952 /nfs/dbraw/zinc/51/19/52/1018511952.db2.gz FBJHKPJRMLVVIF-UHFFFAOYSA-N 1 3 320.521 3.721 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000675897592 1018620238 /nfs/dbraw/zinc/62/02/38/1018620238.db2.gz GRJKWRMDNORXBH-MAUKXSAKSA-N 1 3 322.880 3.525 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000675897592 1018620243 /nfs/dbraw/zinc/62/02/43/1018620243.db2.gz GRJKWRMDNORXBH-MAUKXSAKSA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000675897592 1018620246 /nfs/dbraw/zinc/62/02/46/1018620246.db2.gz GRJKWRMDNORXBH-MAUKXSAKSA-N 1 3 322.880 3.525 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CCCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000675897592 1018620251 /nfs/dbraw/zinc/62/02/51/1018620251.db2.gz GRJKWRMDNORXBH-MAUKXSAKSA-N 1 3 322.880 3.525 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000926523623 1018654576 /nfs/dbraw/zinc/65/45/76/1018654576.db2.gz DYZKPPRGFKZLGQ-IEBWSBKVSA-N 1 3 310.526 3.538 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@H]1CCCOc2cc(C)ccc21 ZINC000650756553 1018686514 /nfs/dbraw/zinc/68/65/14/1018686514.db2.gz DNLSNNLUIIENOZ-IBGZPJMESA-N 1 3 310.441 3.718 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCSc2ccc(F)cc21 ZINC000650758520 1018692254 /nfs/dbraw/zinc/69/22/54/1018692254.db2.gz RIRCMDQBLVMTIK-QGZVFWFLSA-N 1 3 316.445 3.872 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC000566777950 1018758883 /nfs/dbraw/zinc/75/88/83/1018758883.db2.gz LHNNYHMMRLBOFK-HZPDHXFCSA-N 1 3 300.446 3.684 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C[C@@H](C)O1 ZINC000765404338 1018776344 /nfs/dbraw/zinc/77/63/44/1018776344.db2.gz DCQFRAVJBDFWGH-OUUBHVDSSA-N 1 3 322.537 3.824 20 0 DHADHO CC[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C1CCOCC1 ZINC000765453107 1018794467 /nfs/dbraw/zinc/79/44/67/1018794467.db2.gz KZVRNTTWKPGMBZ-HXUWFJFHSA-N 1 3 322.537 3.826 20 0 DHADHO Clc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000676712477 1018812698 /nfs/dbraw/zinc/81/26/98/1018812698.db2.gz HVZOUFKXNKNPDH-QAPCUYQASA-N 1 3 304.865 3.789 20 0 DHADHO Clc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000676712477 1018812719 /nfs/dbraw/zinc/81/27/19/1018812719.db2.gz HVZOUFKXNKNPDH-QAPCUYQASA-N 1 3 304.865 3.789 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccnc(-c3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000624267485 1018824844 /nfs/dbraw/zinc/82/48/44/1018824844.db2.gz OIUVPRUNGOGPFZ-SVFBPWRDSA-N 1 3 321.468 3.711 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccnc(-c3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000624267485 1018824867 /nfs/dbraw/zinc/82/48/67/1018824867.db2.gz OIUVPRUNGOGPFZ-SVFBPWRDSA-N 1 3 321.468 3.711 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000624267485 1018824892 /nfs/dbraw/zinc/82/48/92/1018824892.db2.gz OIUVPRUNGOGPFZ-SVFBPWRDSA-N 1 3 321.468 3.711 20 0 DHADHO Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993869 1032791248 /nfs/dbraw/zinc/79/12/48/1032791248.db2.gz POPLWXJXFGDYSW-CYBMUJFWSA-N 1 3 310.844 3.676 20 0 DHADHO COc1ccc(C[C@@H](C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171629708 1032793115 /nfs/dbraw/zinc/79/31/15/1032793115.db2.gz DFSBRKHYEXBTFZ-OAHLLOKOSA-N 1 3 318.505 3.867 20 0 DHADHO CCc1[nH]nc(Cl)c1CNC1CCC([NH+]2CCCCC2)CC1 ZINC000921823111 1018913212 /nfs/dbraw/zinc/91/32/12/1018913212.db2.gz QBHMMUHGMHFMLK-UHFFFAOYSA-N 1 3 324.900 3.512 20 0 DHADHO CC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000129009039 1018937342 /nfs/dbraw/zinc/93/73/42/1018937342.db2.gz MOFLPOMPHLWXIL-CABCVRRESA-N 1 3 311.267 3.632 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168684219 1018968731 /nfs/dbraw/zinc/96/87/31/1018968731.db2.gz HHVKQAAIPGUKOJ-INIZCTEOSA-N 1 3 306.881 3.519 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168686526 1018980207 /nfs/dbraw/zinc/98/02/07/1018980207.db2.gz YUXOXOICAYTZCN-UXLLHSPISA-N 1 3 320.908 3.765 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168686526 1018980211 /nfs/dbraw/zinc/98/02/11/1018980211.db2.gz YUXOXOICAYTZCN-UXLLHSPISA-N 1 3 320.908 3.765 20 0 DHADHO C[NH+]1C(C)(C)CC(N[C@@H]2CSc3ccccc3C2)CC1(C)C ZINC001171630310 1032796983 /nfs/dbraw/zinc/79/69/83/1032796983.db2.gz MCQZSBBQLUVYQK-HNNXBMFYSA-N 1 3 318.530 3.944 20 0 DHADHO C[NH+]1C(C)(C)CC(NCCSCc2ccco2)CC1(C)C ZINC001171619864 1032802733 /nfs/dbraw/zinc/80/27/33/1032802733.db2.gz TUAKPRBTZHDAJX-UHFFFAOYSA-N 1 3 310.507 3.754 20 0 DHADHO CN1C(C)(C)CC([NH2+]CCSCc2ccco2)CC1(C)C ZINC001171619864 1032802745 /nfs/dbraw/zinc/80/27/45/1032802745.db2.gz TUAKPRBTZHDAJX-UHFFFAOYSA-N 1 3 310.507 3.754 20 0 DHADHO CN1C(C)(C)CC([NH2+]CCCc2ccccc2F)CC1(C)C ZINC001171623048 1032805004 /nfs/dbraw/zinc/80/50/04/1032805004.db2.gz IRZMXZCURFGPNM-UHFFFAOYSA-N 1 3 306.469 3.999 20 0 DHADHO Cc1nc(F)ccc1C[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000785483049 1019117562 /nfs/dbraw/zinc/11/75/62/1019117562.db2.gz REPOACJHTHUONR-HNNXBMFYSA-N 1 3 315.436 3.529 20 0 DHADHO CCC[N@H+](C)C[C@H]1CCN(CCCCOc2ccccc2)C1 ZINC000081578991 1019213952 /nfs/dbraw/zinc/21/39/52/1019213952.db2.gz KRUCIYBHRLPFFZ-GOSISDBHSA-N 1 3 304.478 3.509 20 0 DHADHO CCC[N@@H+](C)C[C@H]1CCN(CCCCOc2ccccc2)C1 ZINC000081578991 1019213961 /nfs/dbraw/zinc/21/39/61/1019213961.db2.gz KRUCIYBHRLPFFZ-GOSISDBHSA-N 1 3 304.478 3.509 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc(-c4ccncc4)c3)CC[C@@H]21 ZINC000092043405 1019500963 /nfs/dbraw/zinc/50/09/63/1019500963.db2.gz JBPACQJKZGQMBW-SFTDATJTSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc(-c4ccncc4)c3)CC[C@@H]21 ZINC000092043405 1019500980 /nfs/dbraw/zinc/50/09/80/1019500980.db2.gz JBPACQJKZGQMBW-SFTDATJTSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@H]2C[N@H+](Cc3cccc(-c4ccncc4)c3)CC[C@@H]21 ZINC000092043405 1019500984 /nfs/dbraw/zinc/50/09/84/1019500984.db2.gz JBPACQJKZGQMBW-SFTDATJTSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)CC[C@@H]21 ZINC000092043405 1019500998 /nfs/dbraw/zinc/50/09/98/1019500998.db2.gz JBPACQJKZGQMBW-SFTDATJTSA-N 1 3 321.468 3.665 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](c3cccnc3)C2)CC1(C)C ZINC001171637409 1032836338 /nfs/dbraw/zinc/83/63/38/1032836338.db2.gz MOADZYUPRJNSRW-MRXNPFEDSA-N 1 3 301.478 3.522 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](c3cccnc3)C2)CC1(C)C ZINC001171637409 1032836351 /nfs/dbraw/zinc/83/63/51/1032836351.db2.gz MOADZYUPRJNSRW-MRXNPFEDSA-N 1 3 301.478 3.522 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)[C@H](C)C1 ZINC000628219628 1019743420 /nfs/dbraw/zinc/74/34/20/1019743420.db2.gz SCTHELCBEWNXJT-ZYHUDNBSSA-N 1 3 306.397 3.587 20 0 DHADHO CCN(C)C[C@H]1CC[N@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000093770718 1020070224 /nfs/dbraw/zinc/07/02/24/1020070224.db2.gz HHOAFCHUNSWRMX-MRXNPFEDSA-N 1 3 312.457 3.622 20 0 DHADHO CCN(C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000093770718 1020070234 /nfs/dbraw/zinc/07/02/34/1020070234.db2.gz HHOAFCHUNSWRMX-MRXNPFEDSA-N 1 3 312.457 3.622 20 0 DHADHO Clc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166459175 1020089139 /nfs/dbraw/zinc/08/91/39/1020089139.db2.gz VJGHHGSVCZMNLO-ZWKOTPCHSA-N 1 3 318.892 3.978 20 0 DHADHO Clc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166459175 1020089150 /nfs/dbraw/zinc/08/91/50/1020089150.db2.gz VJGHHGSVCZMNLO-ZWKOTPCHSA-N 1 3 318.892 3.978 20 0 DHADHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000658161730 1020196173 /nfs/dbraw/zinc/19/61/73/1020196173.db2.gz AEZFGQTUHKQSAZ-HLIPFELVSA-N 1 3 315.505 3.708 20 0 DHADHO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166069 1020198094 /nfs/dbraw/zinc/19/80/94/1020198094.db2.gz MGWTUILTCMPOIW-UXHICEINSA-N 1 3 315.505 3.708 20 0 DHADHO CC(C)CC[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165450 1020199682 /nfs/dbraw/zinc/19/96/82/1020199682.db2.gz FKSDDOUALRYMBQ-QGZVFWFLSA-N 1 3 303.494 3.708 20 0 DHADHO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000658217680 1020246209 /nfs/dbraw/zinc/24/62/09/1020246209.db2.gz HIUMXUKFZYZPGW-UAGQMJEPSA-N 1 3 308.416 3.532 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3C(C)(C)C3(F)F)CC2)C1 ZINC000658283932 1020282327 /nfs/dbraw/zinc/28/23/27/1020282327.db2.gz XHNBFWGNHLTSLW-KBMXLJTQSA-N 1 3 314.464 3.910 20 0 DHADHO C[C@@H](NCC1CC[NH+](CC2CC2)CC1)c1ccncc1Cl ZINC000658353883 1020321279 /nfs/dbraw/zinc/32/12/79/1020321279.db2.gz SWPFSTFAHBAJKS-CYBMUJFWSA-N 1 3 307.869 3.508 20 0 DHADHO Fc1cccc2c1C[C@@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001171801258 1032893611 /nfs/dbraw/zinc/89/36/11/1032893611.db2.gz KLVOOMVIVOEGDC-ROUUACIJSA-N 1 3 316.464 3.633 20 0 DHADHO Fc1cccc2c1C[C@@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001171801258 1032893625 /nfs/dbraw/zinc/89/36/25/1032893625.db2.gz KLVOOMVIVOEGDC-ROUUACIJSA-N 1 3 316.464 3.633 20 0 DHADHO C[C@H](CC[NH2+][C@@H]1CCCNc2ccccc21)N1CCCCC1 ZINC000193281383 1020394156 /nfs/dbraw/zinc/39/41/56/1020394156.db2.gz XUBKXLACGZKPND-VQIMIIECSA-N 1 3 301.478 3.788 20 0 DHADHO C[C@H](Cc1ccccn1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000655836252 1020410625 /nfs/dbraw/zinc/41/06/25/1020410625.db2.gz GRQBJORKPOOGCA-SQGPQFPESA-N 1 3 315.505 3.645 20 0 DHADHO CC[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858490712 1032917737 /nfs/dbraw/zinc/91/77/37/1032917737.db2.gz MKBXZBJBFXQALF-VQIMIIECSA-N 1 3 316.489 3.784 20 0 DHADHO CC[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858490712 1032917749 /nfs/dbraw/zinc/91/77/49/1032917749.db2.gz MKBXZBJBFXQALF-VQIMIIECSA-N 1 3 316.489 3.784 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2c(c1)CCCO2 ZINC000858490712 1032917759 /nfs/dbraw/zinc/91/77/59/1032917759.db2.gz MKBXZBJBFXQALF-VQIMIIECSA-N 1 3 316.489 3.784 20 0 DHADHO C[NH+](C)CC[C@H](NCc1ccc2c(c1)CC(C)(C)O2)C(C)(C)C ZINC000734850549 1020669719 /nfs/dbraw/zinc/66/97/19/1020669719.db2.gz ZMUTZBHJNWQBKA-SFHVURJKSA-N 1 3 318.505 3.856 20 0 DHADHO C[C@H]1C[C@@H](NCc2cn(C(F)F)c3ccccc23)CC[N@@H+]1C ZINC000858537834 1032937536 /nfs/dbraw/zinc/93/75/36/1032937536.db2.gz XZABJOZWMCZYFD-JSGCOSHPSA-N 1 3 307.388 3.609 20 0 DHADHO C[C@H]1C[C@@H](NCc2cn(C(F)F)c3ccccc23)CC[N@H+]1C ZINC000858537834 1032937539 /nfs/dbraw/zinc/93/75/39/1032937539.db2.gz XZABJOZWMCZYFD-JSGCOSHPSA-N 1 3 307.388 3.609 20 0 DHADHO CO[C@@H](c1ccccc1Cl)[C@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000414122929 1020914477 /nfs/dbraw/zinc/91/44/77/1020914477.db2.gz AXRATLVYSGNRHN-SCLBCKFNSA-N 1 3 322.880 3.632 20 0 DHADHO CN([C@@H]1CCCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989797 1032950059 /nfs/dbraw/zinc/95/00/59/1032950059.db2.gz GMGURTNMYMZSPP-RTBURBONSA-N 1 3 316.489 3.540 20 0 DHADHO CN([C@@H]1CCCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989797 1032950066 /nfs/dbraw/zinc/95/00/66/1032950066.db2.gz GMGURTNMYMZSPP-RTBURBONSA-N 1 3 316.489 3.540 20 0 DHADHO COc1ccccc1[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000423407354 1021196689 /nfs/dbraw/zinc/19/66/89/1021196689.db2.gz ZYUWSPDFPDQWRR-GPMSIDNRSA-N 1 3 302.462 3.786 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(-c3ccccn3)c2)[C@H](C)C1 ZINC000093639319 1021636721 /nfs/dbraw/zinc/63/67/21/1021636721.db2.gz XXMJCPZHLNMRFO-UTKZUKDTSA-N 1 3 323.484 3.911 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(-c3ccccn3)c2)[C@H](C)C1 ZINC000093639319 1021636724 /nfs/dbraw/zinc/63/67/24/1021636724.db2.gz XXMJCPZHLNMRFO-UTKZUKDTSA-N 1 3 323.484 3.911 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@H](c2ccccn2)C2CCC2)c1 ZINC000924608376 1021663071 /nfs/dbraw/zinc/66/30/71/1021663071.db2.gz NVIPJOWARBEVQJ-FQEVSTJZSA-N 1 3 309.457 3.774 20 0 DHADHO CSC1(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC000556475441 1021730690 /nfs/dbraw/zinc/73/06/90/1021730690.db2.gz VPEUWEHZYZEFRR-DLBZAZTESA-N 1 3 310.551 3.859 20 0 DHADHO CSC1(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC000556475441 1021730695 /nfs/dbraw/zinc/73/06/95/1021730695.db2.gz VPEUWEHZYZEFRR-DLBZAZTESA-N 1 3 310.551 3.859 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCCc3cc(F)ccc31)C2 ZINC001172113970 1033014630 /nfs/dbraw/zinc/01/46/30/1033014630.db2.gz LFDSWVFKOJGMIA-SFNKJDCFSA-N 1 3 302.437 3.808 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCCc3cc(F)ccc31)C2 ZINC001172113970 1033014642 /nfs/dbraw/zinc/01/46/42/1033014642.db2.gz LFDSWVFKOJGMIA-SFNKJDCFSA-N 1 3 302.437 3.808 20 0 DHADHO COc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC001172113654 1033014761 /nfs/dbraw/zinc/01/47/61/1033014761.db2.gz FECXOQDHKWDGJX-NNZMDNLPSA-N 1 3 324.468 3.953 20 0 DHADHO COc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001172113654 1033014766 /nfs/dbraw/zinc/01/47/66/1033014766.db2.gz FECXOQDHKWDGJX-NNZMDNLPSA-N 1 3 324.468 3.953 20 0 DHADHO C[C@@H]1CN(Cc2cc(F)ccc2C(F)(F)F)CCC[C@H]1C[NH3+] ZINC001205995979 1022185189 /nfs/dbraw/zinc/18/51/89/1022185189.db2.gz SRXRPEDAIXCGAJ-NEPJUHHUSA-N 1 3 318.358 3.651 20 0 DHADHO FC(F)(F)C1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000853241472 1022241552 /nfs/dbraw/zinc/24/15/52/1022241552.db2.gz VPYYEJGYEAJIFW-FHERZECASA-N 1 3 318.427 3.819 20 0 DHADHO C[C@@H]([NH3+])[C@H](NC1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000925535724 1022260074 /nfs/dbraw/zinc/26/00/74/1022260074.db2.gz JVUOISSIUNTPIL-WPPJOMGTSA-N 1 3 300.368 3.786 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001169109600 1022268503 /nfs/dbraw/zinc/26/85/03/1022268503.db2.gz FQXNKXNPGKBPSR-RDGPPVDQSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001169109600 1022268506 /nfs/dbraw/zinc/26/85/06/1022268506.db2.gz FQXNKXNPGKBPSR-RDGPPVDQSA-N 1 3 302.437 3.882 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C)Cc1ccccc1C(F)(F)F)C2 ZINC001169142543 1022273921 /nfs/dbraw/zinc/27/39/21/1022273921.db2.gz CUNQOOBQHKMQBN-FICVDOATSA-N 1 3 312.379 3.762 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)Cc1ccccc1C(F)(F)F)C2 ZINC001169142543 1022273930 /nfs/dbraw/zinc/27/39/30/1022273930.db2.gz CUNQOOBQHKMQBN-FICVDOATSA-N 1 3 312.379 3.762 20 0 DHADHO C[N@H+](CC1CC1)C[C@H]1CCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000659974485 1022275108 /nfs/dbraw/zinc/27/51/08/1022275108.db2.gz MWBIYSVPCZBBPM-QUCCMNQESA-N 1 3 312.501 3.770 20 0 DHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000659974485 1022275114 /nfs/dbraw/zinc/27/51/14/1022275114.db2.gz MWBIYSVPCZBBPM-QUCCMNQESA-N 1 3 312.501 3.770 20 0 DHADHO CC(C)CO[C@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(C)C ZINC000538394680 1033049923 /nfs/dbraw/zinc/04/99/23/1033049923.db2.gz KDCCUUPGCXIZRT-OALUTQOASA-N 1 3 322.537 3.823 20 0 DHADHO C[C@H]([NH2+]Cc1cccs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272165483 1022493657 /nfs/dbraw/zinc/49/36/57/1022493657.db2.gz GOBFDQXVRCJEDD-RDJZCZTQSA-N 1 3 300.471 3.748 20 0 DHADHO C[C@H](NCc1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272165483 1022493665 /nfs/dbraw/zinc/49/36/65/1022493665.db2.gz GOBFDQXVRCJEDD-RDJZCZTQSA-N 1 3 300.471 3.748 20 0 DHADHO C[C@H](NCc1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272165483 1022493672 /nfs/dbraw/zinc/49/36/72/1022493672.db2.gz GOBFDQXVRCJEDD-RDJZCZTQSA-N 1 3 300.471 3.748 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272264903 1022496514 /nfs/dbraw/zinc/49/65/14/1022496514.db2.gz XPKJODRPGWZRBU-SQGPQFPESA-N 1 3 309.457 3.643 20 0 DHADHO CC[C@@H]1CCCCN1CC1(C[N@@H+]2CCCC[C@@H]2CC)COC1 ZINC000157315395 1022541530 /nfs/dbraw/zinc/54/15/30/1022541530.db2.gz JUHCCVLGSIOYJH-HDICACEKSA-N 1 3 308.510 3.532 20 0 DHADHO CC[C@@H]1CCCCN1CC1(C[N@H+]2CCCC[C@@H]2CC)COC1 ZINC000157315395 1022541534 /nfs/dbraw/zinc/54/15/34/1022541534.db2.gz JUHCCVLGSIOYJH-HDICACEKSA-N 1 3 308.510 3.532 20 0 DHADHO CC[C@@H]1CCCC[N@H+]1CC1(CN2CCCC[C@@H]2CC)COC1 ZINC000157315395 1022541540 /nfs/dbraw/zinc/54/15/40/1022541540.db2.gz JUHCCVLGSIOYJH-HDICACEKSA-N 1 3 308.510 3.532 20 0 DHADHO CC[C@@H]1CCCC[N@@H+]1CC1(CN2CCCC[C@@H]2CC)COC1 ZINC000157315395 1022541544 /nfs/dbraw/zinc/54/15/44/1022541544.db2.gz JUHCCVLGSIOYJH-HDICACEKSA-N 1 3 308.510 3.532 20 0 DHADHO OC[C@@H](CC1CCCCC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000417366704 1022710441 /nfs/dbraw/zinc/71/04/41/1022710441.db2.gz NMQNPJCNDSGQIR-LJQANCHMSA-N 1 3 322.537 3.704 20 0 DHADHO OC[C@@H](CC1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417366704 1022710454 /nfs/dbraw/zinc/71/04/54/1022710454.db2.gz NMQNPJCNDSGQIR-LJQANCHMSA-N 1 3 322.537 3.704 20 0 DHADHO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CCO1 ZINC000925631359 1022901515 /nfs/dbraw/zinc/90/15/15/1022901515.db2.gz XPIQCKBGOZGNAR-FYQPLNBISA-N 1 3 322.537 3.728 20 0 DHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCC2(CCCC2)O1 ZINC000859213684 1033100162 /nfs/dbraw/zinc/10/01/62/1033100162.db2.gz ZCGXOJCPLXHRFV-LJQANCHMSA-N 1 3 316.489 3.672 20 0 DHADHO [NH3+]CCC[C@H](NCc1ccnc(C(F)(F)F)c1)c1ccccc1 ZINC000925678366 1023088461 /nfs/dbraw/zinc/08/84/61/1023088461.db2.gz CYXMUAJMDZVJHI-HNNXBMFYSA-N 1 3 323.362 3.670 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000769870594 1023234743 /nfs/dbraw/zinc/23/47/43/1023234743.db2.gz ARPYWVKZAGBZPH-HUUCEWRRSA-N 1 3 307.482 3.851 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NCCCC[N@H+]1CCCC[C@H]1C ZINC000769870594 1023234750 /nfs/dbraw/zinc/23/47/50/1023234750.db2.gz ARPYWVKZAGBZPH-HUUCEWRRSA-N 1 3 307.482 3.851 20 0 DHADHO ClC1(Cl)C[C@@H]1CCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925701989 1023276012 /nfs/dbraw/zinc/27/60/12/1023276012.db2.gz IYFKLZZFGCLYBX-ZNMIVQPWSA-N 1 3 319.320 3.718 20 0 DHADHO c1ccc(CNC2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000660674956 1023376757 /nfs/dbraw/zinc/37/67/57/1023376757.db2.gz DKTNKXQDQQKNBD-NHCUHLMSSA-N 1 3 306.453 3.797 20 0 DHADHO FCC[C@H]1CCCN(CCC[N@@H+]2CCC[C@@H](CCF)C2)C1 ZINC000661690132 1023688059 /nfs/dbraw/zinc/68/80/59/1023688059.db2.gz JPEWVJPYTKCDFC-CALCHBBNSA-N 1 3 302.453 3.520 20 0 DHADHO FCC[C@H]1CCCN(CCC[N@H+]2CCC[C@@H](CCF)C2)C1 ZINC000661690132 1023688064 /nfs/dbraw/zinc/68/80/64/1023688064.db2.gz JPEWVJPYTKCDFC-CALCHBBNSA-N 1 3 302.453 3.520 20 0 DHADHO FCC[C@H]1CCC[N@@H+](CCCN2CCC[C@@H](CCF)C2)C1 ZINC000661690132 1023688067 /nfs/dbraw/zinc/68/80/67/1023688067.db2.gz JPEWVJPYTKCDFC-CALCHBBNSA-N 1 3 302.453 3.520 20 0 DHADHO FCC[C@H]1CCC[N@H+](CCCN2CCC[C@@H](CCF)C2)C1 ZINC000661690132 1023688070 /nfs/dbraw/zinc/68/80/70/1023688070.db2.gz JPEWVJPYTKCDFC-CALCHBBNSA-N 1 3 302.453 3.520 20 0 DHADHO CCOCC[C@H](C)N1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001172426870 1033165425 /nfs/dbraw/zinc/16/54/25/1033165425.db2.gz IODBNFSRXMCRKK-INIZCTEOSA-N 1 3 322.468 3.537 20 0 DHADHO CCOCC[C@H](C)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001172426870 1033165426 /nfs/dbraw/zinc/16/54/26/1033165426.db2.gz IODBNFSRXMCRKK-INIZCTEOSA-N 1 3 322.468 3.537 20 0 DHADHO C[NH+]1CCC(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000788488335 1023893787 /nfs/dbraw/zinc/89/37/87/1023893787.db2.gz KQQGNUNYSPYLAV-HNNXBMFYSA-N 1 3 318.358 3.751 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000246153951 1023898149 /nfs/dbraw/zinc/89/81/49/1023898149.db2.gz LEGRLERNIHGYDP-WFASDCNBSA-N 1 3 300.368 3.525 20 0 DHADHO C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001170118984 1024162201 /nfs/dbraw/zinc/16/22/01/1024162201.db2.gz VLNXEJATRNWDKM-YJBOKZPZSA-N 1 3 304.453 3.816 20 0 DHADHO COc1ccc2c(c1)CCC[C@H]2NC1CC[NH+](C2CCC2)CC1 ZINC000269048670 1024228972 /nfs/dbraw/zinc/22/89/72/1024228972.db2.gz VHDUNRVZQDCFSQ-HXUWFJFHSA-N 1 3 314.473 3.679 20 0 DHADHO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000269061867 1024232691 /nfs/dbraw/zinc/23/26/91/1024232691.db2.gz XXJNLTDOZIGFNH-MRXNPFEDSA-N 1 3 324.472 3.540 20 0 DHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCc3ccccc3)CC2)C1 ZINC000531677152 1024266171 /nfs/dbraw/zinc/26/61/71/1024266171.db2.gz XLFNSCYIUOMAHA-PXNSSMCTSA-N 1 3 300.490 3.862 20 0 DHADHO Cc1cc(N2CC[NH+]([C@H]3CC[C@H](C)C3)CC2)c2ccccc2n1 ZINC001170132844 1024274291 /nfs/dbraw/zinc/27/42/91/1024274291.db2.gz OGXBMBIDXGRRIX-RDJZCZTQSA-N 1 3 309.457 3.854 20 0 DHADHO CC(C)OCC[C@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001172439945 1033200758 /nfs/dbraw/zinc/20/07/58/1033200758.db2.gz HFLAAPRFCYKASG-ROUUACIJSA-N 1 3 308.510 3.600 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)[C@@H]1CCCOC1 ZINC000883352218 1024397198 /nfs/dbraw/zinc/39/71/98/1024397198.db2.gz WZIXJWBHKXOFDC-LFGUQSLTSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000663465467 1024399342 /nfs/dbraw/zinc/39/93/42/1024399342.db2.gz JZXQFJTVGQNGSP-OFCAXSSNSA-N 1 3 312.501 3.890 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000663467104 1024408022 /nfs/dbraw/zinc/40/80/22/1024408022.db2.gz ZOXIAUUMHIRHLW-LEUOFYLZSA-N 1 3 318.530 3.952 20 0 DHADHO CC(C)Cc1cccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000925778606 1024439238 /nfs/dbraw/zinc/43/92/38/1024439238.db2.gz UDYVQFMTXVISCX-WMLDXEAASA-N 1 3 310.432 3.781 20 0 DHADHO Cc1ccc(CCC[NH2+][C@@H](C)c2ccc(CN)nc2C)c(C)c1 ZINC000643457112 1024469563 /nfs/dbraw/zinc/46/95/63/1024469563.db2.gz WCCJFEFNUIAGSU-INIZCTEOSA-N 1 3 311.473 3.749 20 0 DHADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1nc2c(s1)CCCC2 ZINC000453390728 1024510517 /nfs/dbraw/zinc/51/05/17/1024510517.db2.gz DIAKLHQFQFTRDV-ZDUSSCGKSA-N 1 3 307.507 3.547 20 0 DHADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1nc2c(s1)CCCC2 ZINC000453390728 1024510527 /nfs/dbraw/zinc/51/05/27/1024510527.db2.gz DIAKLHQFQFTRDV-ZDUSSCGKSA-N 1 3 307.507 3.547 20 0 DHADHO Cc1ccc(C)c([C@H](C)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000532215253 1024578106 /nfs/dbraw/zinc/57/81/06/1024578106.db2.gz IFIYZHVPKSUZHG-SFHVURJKSA-N 1 3 316.489 3.599 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666084871 1024678096 /nfs/dbraw/zinc/67/80/96/1024678096.db2.gz OLTOTSNHBZEPMM-HOCLYGCPSA-N 1 3 306.881 3.519 20 0 DHADHO CC[C@H]1C[C@@H]([N@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001170247733 1024722232 /nfs/dbraw/zinc/72/22/32/1024722232.db2.gz YACBFVAUWAOGLD-OALUTQOASA-N 1 3 308.510 3.673 20 0 DHADHO CC[C@H]1C[C@@H]([N@@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001170247733 1024722239 /nfs/dbraw/zinc/72/22/39/1024722239.db2.gz YACBFVAUWAOGLD-OALUTQOASA-N 1 3 308.510 3.673 20 0 DHADHO Cc1ccc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350511435 1024822335 /nfs/dbraw/zinc/82/23/35/1024822335.db2.gz KNASLUVWJGJERO-NHCUHLMSSA-N 1 3 323.484 3.562 20 0 DHADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccccc1C(F)(F)F ZINC000021501111 1024948407 /nfs/dbraw/zinc/94/84/07/1024948407.db2.gz AZEJPHRFQUYTOM-GFCCVEGCSA-N 1 3 302.384 3.944 20 0 DHADHO Clc1ccc(CC[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000151505308 1025238285 /nfs/dbraw/zinc/23/82/85/1025238285.db2.gz TUKTWKCGMAYUFJ-UHFFFAOYSA-N 1 3 306.881 3.879 20 0 DHADHO Clc1ccc(CCNC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000151505308 1025238294 /nfs/dbraw/zinc/23/82/94/1025238294.db2.gz TUKTWKCGMAYUFJ-UHFFFAOYSA-N 1 3 306.881 3.879 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000122920475 1025242828 /nfs/dbraw/zinc/24/28/28/1025242828.db2.gz GLTZIHDOGNFDQD-SGMGOOAPSA-N 1 3 316.367 3.719 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000122920475 1025242843 /nfs/dbraw/zinc/24/28/43/1025242843.db2.gz GLTZIHDOGNFDQD-SGMGOOAPSA-N 1 3 316.367 3.719 20 0 DHADHO CC(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)cc1 ZINC001204089845 1033279340 /nfs/dbraw/zinc/27/93/40/1033279340.db2.gz RQVNXPYOOMIGAI-MISYRCLQSA-N 1 3 316.489 3.541 20 0 DHADHO Cc1nc2c(s1)[C@H](NCc1cccc(C[NH+](C)C)c1)CCC2 ZINC000123689560 1025394334 /nfs/dbraw/zinc/39/43/34/1025394334.db2.gz UMQGTWUFRRFIDH-MRXNPFEDSA-N 1 3 315.486 3.680 20 0 DHADHO CO[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000886008570 1025436142 /nfs/dbraw/zinc/43/61/42/1025436142.db2.gz PWVHVGOZRFPRCM-APWZRJJASA-N 1 3 308.510 3.721 20 0 DHADHO Cc1noc(C)c1[C@H](C)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924685255 1033287403 /nfs/dbraw/zinc/28/74/03/1033287403.db2.gz OGPRXLKRQSSIKH-ZNMIVQPWSA-N 1 3 307.482 3.700 20 0 DHADHO Cc1noc(C)c1[C@H](C)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924685255 1033287411 /nfs/dbraw/zinc/28/74/11/1033287411.db2.gz OGPRXLKRQSSIKH-ZNMIVQPWSA-N 1 3 307.482 3.700 20 0 DHADHO C[C@H]([NH2+]CC1(C(F)F)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000348365998 1025522920 /nfs/dbraw/zinc/52/29/20/1025522920.db2.gz DVPBKLRCKOQDJH-HOCLYGCPSA-N 1 3 308.416 3.532 20 0 DHADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cn2c(n1)CCCC2 ZINC000924685965 1033288673 /nfs/dbraw/zinc/28/86/73/1033288673.db2.gz JKWQBCXMHXBKIB-IRXDYDNUSA-N 1 3 318.509 3.525 20 0 DHADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cn2c(n1)CCCC2 ZINC000924685965 1033288681 /nfs/dbraw/zinc/28/86/81/1033288681.db2.gz JKWQBCXMHXBKIB-IRXDYDNUSA-N 1 3 318.509 3.525 20 0 DHADHO C([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCN(CC2CC2)C1 ZINC000886166893 1025542394 /nfs/dbraw/zinc/54/23/94/1025542394.db2.gz UTULWKPEHPIMGU-RBUKOAKNSA-N 1 3 320.521 3.580 20 0 DHADHO CC1(C)CO[C@@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000886306080 1025586483 /nfs/dbraw/zinc/58/64/83/1025586483.db2.gz YUYDEPKIOBNGOU-SFHVURJKSA-N 1 3 308.510 3.578 20 0 DHADHO Cc1cc(C[N@H+]2CCCC23CCN(C)CC3)cc2cccnc12 ZINC000355048872 1025592126 /nfs/dbraw/zinc/59/21/26/1025592126.db2.gz FWDHJGSJGJLOEM-UHFFFAOYSA-N 1 3 309.457 3.603 20 0 DHADHO Cc1cc(C[N@@H+]2CCCC23CCN(C)CC3)cc2cccnc12 ZINC000355048872 1025592132 /nfs/dbraw/zinc/59/21/32/1025592132.db2.gz FWDHJGSJGJLOEM-UHFFFAOYSA-N 1 3 309.457 3.603 20 0 DHADHO CC(C)c1cc(CNC2CCC(C)([NH+]3CCCC3)CC2)on1 ZINC000886527983 1025678028 /nfs/dbraw/zinc/67/80/28/1025678028.db2.gz DSIFUMJSCWAXNX-UHFFFAOYSA-N 1 3 305.466 3.685 20 0 DHADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000886588686 1025728362 /nfs/dbraw/zinc/72/83/62/1025728362.db2.gz XHDIHEBCYLMTGL-MJQMVNBJSA-N 1 3 308.510 3.577 20 0 DHADHO CC1([NH+]2CCCC2)CCC(NCc2noc3ccccc32)CC1 ZINC000886634800 1025749748 /nfs/dbraw/zinc/74/97/48/1025749748.db2.gz NJRPMOOBLRIBTJ-UHFFFAOYSA-N 1 3 313.445 3.715 20 0 DHADHO C[C@H]([NH2+]C[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccncc1 ZINC000136601470 1025873271 /nfs/dbraw/zinc/87/32/71/1025873271.db2.gz UITKDPRQSRCCQM-ZIFCJYIRSA-N 1 3 309.457 3.643 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2c(C)noc2C)CC1)CC1CC1 ZINC000355899939 1025879581 /nfs/dbraw/zinc/87/95/81/1025879581.db2.gz JZPFEAFBQQLESW-UHFFFAOYSA-N 1 3 319.493 3.625 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2c(C)noc2C)CC1)CC1CC1 ZINC000355899939 1025879596 /nfs/dbraw/zinc/87/95/96/1025879596.db2.gz JZPFEAFBQQLESW-UHFFFAOYSA-N 1 3 319.493 3.625 20 0 DHADHO C[C@H]1C[C@@H](N(C)Cc2cccc(-c3cccnc3)c2)CC[N@@H+]1C ZINC000093644218 1026118647 /nfs/dbraw/zinc/11/86/47/1026118647.db2.gz VSXFOPJJIIIQEB-JXFKEZNVSA-N 1 3 309.457 3.663 20 0 DHADHO C[C@H]1C[C@@H](N(C)Cc2cccc(-c3cccnc3)c2)CC[N@H+]1C ZINC000093644218 1026118652 /nfs/dbraw/zinc/11/86/52/1026118652.db2.gz VSXFOPJJIIIQEB-JXFKEZNVSA-N 1 3 309.457 3.663 20 0 DHADHO CC(C)c1ccc(OCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1 ZINC000513691155 1026617740 /nfs/dbraw/zinc/61/77/40/1026617740.db2.gz RQYNMDBWTPDMHG-ZCNNSNEGSA-N 1 3 316.489 3.651 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2cccc3c2NCCC3)c1 ZINC000894240647 1026652543 /nfs/dbraw/zinc/65/25/43/1026652543.db2.gz BPKAOTPEYCVDGW-UHFFFAOYSA-N 1 3 323.484 3.786 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2cccc3c2NCCC3)c1 ZINC000894240647 1026652548 /nfs/dbraw/zinc/65/25/48/1026652548.db2.gz BPKAOTPEYCVDGW-UHFFFAOYSA-N 1 3 323.484 3.786 20 0 DHADHO Cc1cccc(CN(CC[C@H]2CCC[NH2+]C2)Cc2ccccn2)c1 ZINC000420314012 1026799515 /nfs/dbraw/zinc/79/95/15/1026799515.db2.gz JRBGKDHOQUZSBC-LJQANCHMSA-N 1 3 323.484 3.782 20 0 DHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000420302874 1026800922 /nfs/dbraw/zinc/80/09/22/1026800922.db2.gz JUSUVJFKQYTRBW-TZIWHRDSSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000420302874 1026800933 /nfs/dbraw/zinc/80/09/33/1026800933.db2.gz JUSUVJFKQYTRBW-TZIWHRDSSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000420317131 1026803771 /nfs/dbraw/zinc/80/37/71/1026803771.db2.gz NGQYCAXBQPIIFW-AZUAARDMSA-N 1 3 310.441 3.575 20 0 DHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000420317131 1026803781 /nfs/dbraw/zinc/80/37/81/1026803781.db2.gz NGQYCAXBQPIIFW-AZUAARDMSA-N 1 3 310.441 3.575 20 0 DHADHO c1ccc2c(c1)-c1ccccc1C2N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420388895 1026812762 /nfs/dbraw/zinc/81/27/62/1026812762.db2.gz XIAXAYNPXLCPND-OAQYLSRUSA-N 1 3 304.437 3.832 20 0 DHADHO COc1ccc([C@@H](CN)C[NH2+][C@H](C)c2cccc(C)c2C)cc1 ZINC000420415728 1026814311 /nfs/dbraw/zinc/81/43/11/1026814311.db2.gz VDGDMHCKQBGSSV-AEFFLSMTSA-N 1 3 312.457 3.705 20 0 DHADHO FC(F)C1CC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000811518984 1027020493 /nfs/dbraw/zinc/02/04/93/1027020493.db2.gz UJFFMTUCHVCPGB-WWDZGPRUSA-N 1 3 322.443 3.922 20 0 DHADHO COC1([C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CCCC1 ZINC000421831736 1027060838 /nfs/dbraw/zinc/06/08/38/1027060838.db2.gz LTNGFIMTCZZLPD-MRXNPFEDSA-N 1 3 308.510 3.721 20 0 DHADHO COC1([C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000421831736 1027060844 /nfs/dbraw/zinc/06/08/44/1027060844.db2.gz LTNGFIMTCZZLPD-MRXNPFEDSA-N 1 3 308.510 3.721 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170657899 1027156906 /nfs/dbraw/zinc/15/69/06/1027156906.db2.gz HMUNVXCCFWKVMV-QGZVFWFLSA-N 1 3 322.443 3.534 20 0 DHADHO CCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(C)c1 ZINC000573512146 1027302265 /nfs/dbraw/zinc/30/22/65/1027302265.db2.gz SGZVZUMJQVAESL-XUVXKRRUSA-N 1 3 316.489 3.746 20 0 DHADHO CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(C)c1 ZINC000573512146 1027302287 /nfs/dbraw/zinc/30/22/87/1027302287.db2.gz SGZVZUMJQVAESL-XUVXKRRUSA-N 1 3 316.489 3.746 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000422749012 1027311568 /nfs/dbraw/zinc/31/15/68/1027311568.db2.gz WZYMYBVNAWMPPK-VXGBXAGGSA-N 1 3 303.837 3.914 20 0 DHADHO Clc1ccc(SCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422772190 1027316345 /nfs/dbraw/zinc/31/63/45/1027316345.db2.gz RVAGQGGMVYECHQ-ZACQAIPSSA-N 1 3 324.921 3.942 20 0 DHADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775258 1027318099 /nfs/dbraw/zinc/31/80/99/1027318099.db2.gz AWOCTEVTKJCNFH-DJIMGWMZSA-N 1 3 321.896 3.558 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000422798031 1027322643 /nfs/dbraw/zinc/32/26/43/1027322643.db2.gz PLSYPQRHCNTKNM-NKGKWGDASA-N 1 3 322.880 3.618 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)N[C@H]3CCC[C@H]3C[NH3+])cc2)cs1 ZINC000422800536 1027328576 /nfs/dbraw/zinc/32/85/76/1027328576.db2.gz CCPDXXKIVGSQEP-ZLIFDBKOSA-N 1 3 315.486 3.897 20 0 DHADHO Cc1ccc([C@@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C2CC2)cc1 ZINC000422816175 1027338570 /nfs/dbraw/zinc/33/85/70/1027338570.db2.gz ZHOIFUUQLUEAIS-FOIQADDNSA-N 1 3 309.457 3.959 20 0 DHADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000422862927 1027344103 /nfs/dbraw/zinc/34/41/03/1027344103.db2.gz OFKYSRHEMXCETL-LEWJYISDSA-N 1 3 324.468 3.620 20 0 DHADHO CCOCCC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCCC1 ZINC000422890436 1027349164 /nfs/dbraw/zinc/34/91/64/1027349164.db2.gz SDFFKFYGTIWZQW-MSOLQXFVSA-N 1 3 302.462 3.708 20 0 DHADHO CC(C)c1nc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cs1 ZINC000422906023 1027353292 /nfs/dbraw/zinc/35/32/92/1027353292.db2.gz TZCIGCROPVNPBL-BRWVUGGUSA-N 1 3 321.534 3.709 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)NC1(c2cccc(Br)c2)CCC1 ZINC000422940001 1027370771 /nfs/dbraw/zinc/37/07/71/1027370771.db2.gz MRQGIANOMLZWGH-NEPJUHHUSA-N 1 3 311.267 3.544 20 0 DHADHO C[C@@H](NCC1(c2ccc(C(C)(C)C)cc2)CCC1)C1C[NH2+]C1 ZINC000422949152 1027376819 /nfs/dbraw/zinc/37/68/19/1027376819.db2.gz UESSKOQOPXJZCP-OAHLLOKOSA-N 1 3 300.490 3.603 20 0 DHADHO CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000422978954 1027383936 /nfs/dbraw/zinc/38/39/36/1027383936.db2.gz LDKAULDDJOTHNR-WTGUMLROSA-N 1 3 315.505 3.633 20 0 DHADHO Cc1cccc(O[C@@H]2CCCC[C@@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423000838 1027387839 /nfs/dbraw/zinc/38/78/39/1027387839.db2.gz VTJFWKPCAPHTHH-HXIDAQGESA-N 1 3 314.473 3.558 20 0 DHADHO Cn1cc(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)c2ccc(F)cc21 ZINC000423045090 1027401393 /nfs/dbraw/zinc/40/13/93/1027401393.db2.gz BKFYIHVRWUJBKP-RBUKOAKNSA-N 1 3 323.415 3.594 20 0 DHADHO Cc1ccc2c(CCN[C@H]3C[C@H]([NH3+])c4ccccc43)cn(C)c2c1 ZINC000423064239 1027402808 /nfs/dbraw/zinc/40/28/08/1027402808.db2.gz YOTOTVJUTAEXBO-PMACEKPBSA-N 1 3 319.452 3.764 20 0 DHADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC000423066917 1027407304 /nfs/dbraw/zinc/40/73/04/1027407304.db2.gz YBFQXDQGFPQUCU-JKSUJKDBSA-N 1 3 310.844 3.760 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095116 1027414507 /nfs/dbraw/zinc/41/45/07/1027414507.db2.gz DHQPTUTVDUIUQJ-VWLISTAJSA-N 1 3 310.844 3.832 20 0 DHADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423124281 1027420845 /nfs/dbraw/zinc/42/08/45/1027420845.db2.gz ODEFRPBGYWFCNQ-ARFHVFGLSA-N 1 3 314.395 3.515 20 0 DHADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(C2CCCCC2)cc1 ZINC000423128947 1027424874 /nfs/dbraw/zinc/42/48/74/1027424874.db2.gz LKEQDTVABXAMRV-YSSFQJQWSA-N 1 3 316.489 3.576 20 0 DHADHO CSc1ccc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423107537 1027426197 /nfs/dbraw/zinc/42/61/97/1027426197.db2.gz SIRHYBWMBMFPCT-OLZOCXBDSA-N 1 3 315.486 3.982 20 0 DHADHO FC(F)(F)C1(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCC1 ZINC000423113326 1027427642 /nfs/dbraw/zinc/42/76/42/1027427642.db2.gz UCDMUTJQBIIILC-LSDHHAIUSA-N 1 3 312.379 3.802 20 0 DHADHO CC(C)c1ccc(O[C@H](C)CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423111590 1027428913 /nfs/dbraw/zinc/42/89/13/1027428913.db2.gz QQNLZRNOLKHCKT-FRQCXROJSA-N 1 3 304.478 3.555 20 0 DHADHO N[C@@H]1CCCCC[C@H]1[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000423150625 1027431781 /nfs/dbraw/zinc/43/17/81/1027431781.db2.gz BMUSHRMEJLFITA-FZZYSBJUSA-N 1 3 323.278 3.712 20 0 DHADHO NCCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423184750 1027437111 /nfs/dbraw/zinc/43/71/11/1027437111.db2.gz IOKDKLJSPSPXPG-HUUCEWRRSA-N 1 3 300.368 3.670 20 0 DHADHO CC[C@@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423173107 1027437522 /nfs/dbraw/zinc/43/75/22/1027437522.db2.gz WXZUPYLHUTXEHU-SBHAEUEKSA-N 1 3 322.452 3.983 20 0 DHADHO COc1cccc([C@H]2C[C@H](N[C@H](C)C[C@H]3CCCCC[NH2+]3)C2)c1 ZINC000423164204 1027437612 /nfs/dbraw/zinc/43/76/12/1027437612.db2.gz SIDQYCPQSLBYER-NXWXRZEISA-N 1 3 316.489 3.842 20 0 DHADHO C[NH+](C)Cc1cccc(CNCc2cc3ccc(F)cc3[nH]2)c1 ZINC000362913278 1027440008 /nfs/dbraw/zinc/44/00/08/1027440008.db2.gz LVBAWDXYNYYVPM-UHFFFAOYSA-N 1 3 311.404 3.658 20 0 DHADHO COCCC[C@H]([NH2+]CC1(N)CCCCC1)c1ccc(F)cc1 ZINC000423174611 1027442392 /nfs/dbraw/zinc/44/23/92/1027442392.db2.gz BJJOVFWLZTZTAQ-KRWDZBQOSA-N 1 3 308.441 3.545 20 0 DHADHO CCc1nc2c(s1)[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)CCC2 ZINC000423293209 1027490798 /nfs/dbraw/zinc/49/07/98/1027490798.db2.gz QGTGXSVYSUNFPH-WFASDCNBSA-N 1 3 315.486 3.892 20 0 DHADHO CC(=O)Nc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423294567 1027500252 /nfs/dbraw/zinc/50/02/52/1027500252.db2.gz UVZRKXSJJQMKJL-KGLIPLIRSA-N 1 3 311.429 3.516 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423325434 1027511501 /nfs/dbraw/zinc/51/15/01/1027511501.db2.gz JSEXZCXAMPRFOX-GLJUWKHASA-N 1 3 317.502 3.768 20 0 DHADHO C[C@H](NCC1=CC[NH2+]CC1)c1cc(Cl)ccc1OC(F)F ZINC000423349832 1027518418 /nfs/dbraw/zinc/51/84/18/1027518418.db2.gz XSTRNORRGBFBBT-JTQLQIEISA-N 1 3 316.779 3.512 20 0 DHADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423371547 1027522573 /nfs/dbraw/zinc/52/25/73/1027522573.db2.gz GOLGUWRKKKLBBT-YUTCNCBUSA-N 1 3 316.367 3.548 20 0 DHADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423371546 1027524486 /nfs/dbraw/zinc/52/44/86/1027524486.db2.gz GOLGUWRKKKLBBT-UBHSHLNASA-N 1 3 316.367 3.548 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423371545 1027525211 /nfs/dbraw/zinc/52/52/11/1027525211.db2.gz GOLGUWRKKKLBBT-IACUBPJLSA-N 1 3 316.367 3.548 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423382672 1027526178 /nfs/dbraw/zinc/52/61/78/1027526178.db2.gz DSZOKBNHGGMSES-NXHRZFHOSA-N 1 3 314.498 3.928 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423382672 1027526185 /nfs/dbraw/zinc/52/61/85/1027526185.db2.gz DSZOKBNHGGMSES-NXHRZFHOSA-N 1 3 314.498 3.928 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000423382671 1027526881 /nfs/dbraw/zinc/52/68/81/1027526881.db2.gz DSZOKBNHGGMSES-NJAFHUGGSA-N 1 3 314.498 3.928 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000423382671 1027526891 /nfs/dbraw/zinc/52/68/91/1027526891.db2.gz DSZOKBNHGGMSES-NJAFHUGGSA-N 1 3 314.498 3.928 20 0 DHADHO Cc1cc([C@H](C)NCc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000296075549 1027534391 /nfs/dbraw/zinc/53/43/91/1027534391.db2.gz SIRJOYCYVBSZHW-HNNXBMFYSA-N 1 3 318.486 3.848 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423409714 1027540500 /nfs/dbraw/zinc/54/05/00/1027540500.db2.gz ZBAIEBHTCYALDY-BJJXKVORSA-N 1 3 312.910 3.798 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423409714 1027540510 /nfs/dbraw/zinc/54/05/10/1027540510.db2.gz ZBAIEBHTCYALDY-BJJXKVORSA-N 1 3 312.910 3.798 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423409336 1027542120 /nfs/dbraw/zinc/54/21/20/1027542120.db2.gz YSVUIKXUGFRFKX-UHOFOFEASA-N 1 3 300.471 3.866 20 0 DHADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCc2c3ccccc3sc21 ZINC000423409336 1027542132 /nfs/dbraw/zinc/54/21/32/1027542132.db2.gz YSVUIKXUGFRFKX-UHOFOFEASA-N 1 3 300.471 3.866 20 0 DHADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423483439 1027571435 /nfs/dbraw/zinc/57/14/35/1027571435.db2.gz XUPQHKVQESNDOR-ZYHUDNBSSA-N 1 3 306.397 3.729 20 0 DHADHO C[C@@H](N[C@@H]1CCc2c1cccc2O)c1cccc(C[NH+](C)C)c1 ZINC000924966359 1027635646 /nfs/dbraw/zinc/63/56/46/1027635646.db2.gz DPIIKHHIRYCOLK-AUUYWEPGSA-N 1 3 310.441 3.792 20 0 DHADHO CCCN(CCC[NH+](C)C)Cc1cccc(-c2ccccn2)c1 ZINC000577026263 1027693719 /nfs/dbraw/zinc/69/37/19/1027693719.db2.gz KLFHYFBZMSMCRE-UHFFFAOYSA-N 1 3 311.473 3.912 20 0 DHADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2c1C ZINC000577131654 1027715866 /nfs/dbraw/zinc/71/58/66/1027715866.db2.gz WEAFVCDCVBTHID-POAQFYNOSA-N 1 3 311.473 3.747 20 0 DHADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2c1C ZINC000577131654 1027715885 /nfs/dbraw/zinc/71/58/85/1027715885.db2.gz WEAFVCDCVBTHID-POAQFYNOSA-N 1 3 311.473 3.747 20 0 DHADHO Cc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccn1 ZINC000527666397 1027815471 /nfs/dbraw/zinc/81/54/71/1027815471.db2.gz NLGVMIFUWVLZRK-WMZOPIPTSA-N 1 3 315.486 3.624 20 0 DHADHO Cc1cc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccn1 ZINC000527666397 1027815490 /nfs/dbraw/zinc/81/54/90/1027815490.db2.gz NLGVMIFUWVLZRK-WMZOPIPTSA-N 1 3 315.486 3.624 20 0 DHADHO C[N@@H+]1C[C@@H](CNCc2ccc3cc[nH]c3c2)[C@H](c2ccccc2)C1 ZINC000527724683 1027844659 /nfs/dbraw/zinc/84/46/59/1027844659.db2.gz QFXQEHULAQMXTI-UXHICEINSA-N 1 3 319.452 3.603 20 0 DHADHO C[N@H+]1C[C@@H](CNCc2ccc3cc[nH]c3c2)[C@H](c2ccccc2)C1 ZINC000527724683 1027844683 /nfs/dbraw/zinc/84/46/83/1027844683.db2.gz QFXQEHULAQMXTI-UXHICEINSA-N 1 3 319.452 3.603 20 0 DHADHO CC(C)c1nccn1[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000364579430 1027845426 /nfs/dbraw/zinc/84/54/26/1027845426.db2.gz MDWARLZZFFWINF-GOSISDBHSA-N 1 3 318.509 3.519 20 0 DHADHO CC(C)c1nccn1[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000364579430 1027845444 /nfs/dbraw/zinc/84/54/44/1027845444.db2.gz MDWARLZZFFWINF-GOSISDBHSA-N 1 3 318.509 3.519 20 0 DHADHO CC(C)N1CCC([NH2+]Cc2ccc(-c3ccncc3)cc2)CC1 ZINC000366228464 1028065349 /nfs/dbraw/zinc/06/53/49/1028065349.db2.gz FXIPYIQJEXOIQK-UHFFFAOYSA-N 1 3 309.457 3.711 20 0 DHADHO c1ccc2c(c1)OC[C@@H]2CNC1CC[NH+](C2CCCCC2)CC1 ZINC000367318088 1028165920 /nfs/dbraw/zinc/16/59/20/1028165920.db2.gz OUAISYYIHLFNNO-INIZCTEOSA-N 1 3 314.473 3.549 20 0 DHADHO COc1ccc(-c2csc(CN[C@H]3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000578882728 1028264129 /nfs/dbraw/zinc/26/41/29/1028264129.db2.gz PLUWXFURTXKPRW-CVEARBPZSA-N 1 3 316.470 3.783 20 0 DHADHO C[C@@H]([NH2+]C1CC(c2ccccn2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000368031651 1028284185 /nfs/dbraw/zinc/28/41/85/1028284185.db2.gz VLWJWGORELGMLV-VEZWFGLTSA-N 1 3 313.489 3.570 20 0 DHADHO COc1cc(C[NH2+]C2CCN(CC3CC3)CC2)cc2ccccc21 ZINC000449091862 1028364981 /nfs/dbraw/zinc/36/49/81/1028364981.db2.gz RADSSGUFBXANFM-UHFFFAOYSA-N 1 3 324.468 3.812 20 0 DHADHO Cc1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cs1 ZINC000449121327 1028377568 /nfs/dbraw/zinc/37/75/68/1028377568.db2.gz HHUAETCNVDHVTA-SFHVURJKSA-N 1 3 314.498 3.711 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000449130887 1028383458 /nfs/dbraw/zinc/38/34/58/1028383458.db2.gz IOUILAQRVAAAMF-CABCVRRESA-N 1 3 310.432 3.778 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000449130889 1028384476 /nfs/dbraw/zinc/38/44/76/1028384476.db2.gz IOUILAQRVAAAMF-HUUCEWRRSA-N 1 3 310.432 3.778 20 0 DHADHO C[C@H]1CN(CCCC[NH2+]C2CCC3(CCCC3)CC2)C[C@H](C)O1 ZINC000564410551 1028435607 /nfs/dbraw/zinc/43/56/07/1028435607.db2.gz RSTUDUWNTUVMBB-ROUUACIJSA-N 1 3 322.537 3.968 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@]2(C)CCCOC2)CC1 ZINC000449223127 1028462921 /nfs/dbraw/zinc/46/29/21/1028462921.db2.gz OAAPSHZEKGNWTO-LJQANCHMSA-N 1 3 310.526 3.824 20 0 DHADHO CCCN1CCC([NH2+]Cc2cc3ccccc3c(OC)c2)CC1 ZINC000449223333 1028463337 /nfs/dbraw/zinc/46/33/37/1028463337.db2.gz XXJNEWDFILUPKF-UHFFFAOYSA-N 1 3 312.457 3.812 20 0 DHADHO C[C@H]1C[C@H](NCc2ccc(C[NH3+])cc2)c2ccsc2S1 ZINC000564988387 1028525618 /nfs/dbraw/zinc/52/56/18/1028525618.db2.gz IJSIGFNGGOVMHI-NHYWBVRUSA-N 1 3 304.484 3.922 20 0 DHADHO COc1cccc2c(C[N@@H+]3CCC[C@H]4CN(C)CC[C@H]43)cccc12 ZINC000449330653 1028539504 /nfs/dbraw/zinc/53/95/04/1028539504.db2.gz LZIXOMDZFNSOLQ-FXAWDEMLSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(C[N@H+]3CCC[C@H]4CN(C)CC[C@H]43)cccc12 ZINC000449330653 1028539508 /nfs/dbraw/zinc/53/95/08/1028539508.db2.gz LZIXOMDZFNSOLQ-FXAWDEMLSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(CN3CC[C@@]4(C3)CCC[N@H+](C)C4)cccc12 ZINC000449345926 1028557975 /nfs/dbraw/zinc/55/79/75/1028557975.db2.gz XUBIZHGSWCCLQZ-NRFANRHFSA-N 1 3 324.468 3.766 20 0 DHADHO COc1cccc2c(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)cccc12 ZINC000449345926 1028557982 /nfs/dbraw/zinc/55/79/82/1028557982.db2.gz XUBIZHGSWCCLQZ-NRFANRHFSA-N 1 3 324.468 3.766 20 0 DHADHO Cc1cc(F)ccc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000815570018 1028564718 /nfs/dbraw/zinc/56/47/18/1028564718.db2.gz OFXMNJWJTCEJSI-ZACQAIPSSA-N 1 3 322.468 3.674 20 0 DHADHO CN1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@@H]1c1ccccc1 ZINC000371055070 1028665524 /nfs/dbraw/zinc/66/55/24/1028665524.db2.gz QGMFUEGPPYUTAI-LPHOPBHVSA-N 1 3 316.395 3.747 20 0 DHADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449560364 1028803787 /nfs/dbraw/zinc/80/37/87/1028803787.db2.gz JXBWJUQXCOYMMU-MZFYWZKRSA-N 1 3 304.865 3.958 20 0 DHADHO COc1ccc(CN(CCC[NH+]2CCCC2)C(C)(C)C)cc1 ZINC000567036892 1028825432 /nfs/dbraw/zinc/82/54/32/1028825432.db2.gz KTVQVSZVFTVZSL-UHFFFAOYSA-N 1 3 304.478 3.782 20 0 DHADHO CC[C@@H](O)[C@H](CC)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449646116 1028877416 /nfs/dbraw/zinc/87/74/16/1028877416.db2.gz NHMOUFBFWHDMCF-DLBZAZTESA-N 1 3 312.542 3.805 20 0 DHADHO COc1cc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(C)C ZINC000567752732 1028946888 /nfs/dbraw/zinc/94/68/88/1028946888.db2.gz VYJAMCKTVFWYRK-USXIJHARSA-N 1 3 320.477 3.651 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000373162730 1028963721 /nfs/dbraw/zinc/96/37/21/1028963721.db2.gz DKIZDIBZKWAGPT-HKUYNNGSSA-N 1 3 316.489 3.617 20 0 DHADHO CC(C)(C)[NH+]1CCC(N[C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000373162730 1028963739 /nfs/dbraw/zinc/96/37/39/1028963739.db2.gz DKIZDIBZKWAGPT-HKUYNNGSSA-N 1 3 316.489 3.617 20 0 DHADHO CCO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449751737 1028974361 /nfs/dbraw/zinc/97/43/61/1028974361.db2.gz AKMIITPDBYKNEL-JCHJZTRSSA-N 1 3 308.510 3.577 20 0 DHADHO CN1CCCC[C@H](C[NH2+]CCCCCOc2ccccc2)C1 ZINC000628425220 1029053262 /nfs/dbraw/zinc/05/32/62/1029053262.db2.gz DWXARYDZIDBYMX-GOSISDBHSA-N 1 3 304.478 3.557 20 0 DHADHO CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000568814314 1029129870 /nfs/dbraw/zinc/12/98/70/1029129870.db2.gz BYKZCUKLJDMICS-HOTGVXAUSA-N 1 3 306.519 3.659 20 0 DHADHO CC1CCN(Cc2cncc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000568832245 1029132341 /nfs/dbraw/zinc/13/23/41/1029132341.db2.gz FXZYBCGXAZYXPV-UHFFFAOYSA-N 1 3 301.478 3.545 20 0 DHADHO Fc1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000373840980 1029147393 /nfs/dbraw/zinc/14/73/93/1029147393.db2.gz ICSVSUHULFAIKF-GYTBAZASSA-N 1 3 322.855 3.942 20 0 DHADHO Fc1ccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000373840980 1029147395 /nfs/dbraw/zinc/14/73/95/1029147395.db2.gz ICSVSUHULFAIKF-GYTBAZASSA-N 1 3 322.855 3.942 20 0 DHADHO Cc1cc(NC[C@H](c2ccccc2Cl)N2CCCC2)cc[nH+]1 ZINC000569659790 1029243974 /nfs/dbraw/zinc/24/39/74/1029243974.db2.gz OGJHVBNDHOVMBM-GOSISDBHSA-N 1 3 315.848 3.714 20 0 DHADHO C[C@H]([NH3+])CCN[C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817951044 1029295888 /nfs/dbraw/zinc/29/58/88/1029295888.db2.gz ANPCVPIEUDDHAQ-HZMBPMFUSA-N 1 3 300.418 3.706 20 0 DHADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)nc1 ZINC000817980898 1029316858 /nfs/dbraw/zinc/31/68/58/1029316858.db2.gz FPNFOYJDUBLPKA-BBRMVZONSA-N 1 3 303.837 3.866 20 0 DHADHO CC(C)CC[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(Cl)cc1 ZINC000629521419 1029354791 /nfs/dbraw/zinc/35/47/91/1029354791.db2.gz PFWJAGFHVQRYEE-KRWDZBQOSA-N 1 3 324.896 3.915 20 0 DHADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000570442259 1029365510 /nfs/dbraw/zinc/36/55/10/1029365510.db2.gz ZZGSQYDEUBJADH-HYEGPXJVSA-N 1 3 304.453 3.687 20 0 DHADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CC(F)(F)C1 ZINC000529541018 1029381244 /nfs/dbraw/zinc/38/12/44/1029381244.db2.gz ZMGCSAOLHHZAHG-ZDUSSCGKSA-N 1 3 300.437 3.664 20 0 DHADHO C[C@H](CCN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629652886 1029406291 /nfs/dbraw/zinc/40/62/91/1029406291.db2.gz CGPAQVMFLXIYTH-VNQPRFMTSA-N 1 3 314.395 3.639 20 0 DHADHO C[C@H](CCN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629652884 1029407682 /nfs/dbraw/zinc/40/76/82/1029407682.db2.gz CGPAQVMFLXIYTH-FVQBIDKESA-N 1 3 314.395 3.639 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000450724326 1029636988 /nfs/dbraw/zinc/63/69/88/1029636988.db2.gz GFKJZAJGVVKAGM-KKUMJFAQSA-N 1 3 300.437 3.664 20 0 DHADHO Cc1nc(C)c(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000820812865 1029770518 /nfs/dbraw/zinc/77/05/18/1029770518.db2.gz UMEHHDWTSSADIG-LBPRGKRZSA-N 1 3 303.475 3.672 20 0 DHADHO C[C@@H]1C[C@@H](NCc2cc3nc(Cl)ccc3s2)CC[N@@H+]1C ZINC000585118219 1029781559 /nfs/dbraw/zinc/78/15/59/1029781559.db2.gz HDLVYUHCCSEPPK-MNOVXSKESA-N 1 3 309.866 3.522 20 0 DHADHO C[C@@H]1C[C@@H](NCc2cc3nc(Cl)ccc3s2)CC[N@H+]1C ZINC000585118219 1029781565 /nfs/dbraw/zinc/78/15/65/1029781565.db2.gz HDLVYUHCCSEPPK-MNOVXSKESA-N 1 3 309.866 3.522 20 0 DHADHO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC3CC3)CC1)CCC2 ZINC000530279371 1029800781 /nfs/dbraw/zinc/80/07/81/1029800781.db2.gz APHOEKWAEAOPDE-IBGZPJMESA-N 1 3 302.437 3.667 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)cc2)CC1(C)C ZINC000623404928 1029815542 /nfs/dbraw/zinc/81/55/42/1029815542.db2.gz QZEFAVGKLNOVPJ-KRWDZBQOSA-N 1 3 316.489 3.970 20 0 DHADHO C[C@@H](O)c1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924760339 1030180420 /nfs/dbraw/zinc/18/04/20/1030180420.db2.gz BDELPKNMHFVQOD-JKSUJKDBSA-N 1 3 312.457 3.652 20 0 DHADHO C[C@H](CCc1cccnc1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000866338249 1030240467 /nfs/dbraw/zinc/24/04/67/1030240467.db2.gz YYRQUGNIYYXAJV-AOIWGVFYSA-N 1 3 315.505 3.645 20 0 DHADHO COc1cc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000925008059 1030248761 /nfs/dbraw/zinc/24/87/61/1030248761.db2.gz BCSHDWKTIGFADG-HZPDHXFCSA-N 1 3 312.457 3.841 20 0 DHADHO COc1cc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc2ccccc21 ZINC000925008059 1030248777 /nfs/dbraw/zinc/24/87/77/1030248777.db2.gz BCSHDWKTIGFADG-HZPDHXFCSA-N 1 3 312.457 3.841 20 0 DHADHO C[C@@H]1CCc2ccc(F)cc2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000866368313 1030258687 /nfs/dbraw/zinc/25/86/87/1030258687.db2.gz ZXQXOAMJNYDVDV-FJXGPPQBSA-N 1 3 302.437 3.664 20 0 DHADHO C[C@@H]1CCc2ccc(F)cc2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000866368313 1030258693 /nfs/dbraw/zinc/25/86/93/1030258693.db2.gz ZXQXOAMJNYDVDV-FJXGPPQBSA-N 1 3 302.437 3.664 20 0 DHADHO CC[NH+](CC)CCC[C@H](C)NCc1ccnc(Cl)c1Cl ZINC000290959121 1030263815 /nfs/dbraw/zinc/26/38/15/1030263815.db2.gz WAIARKPHWSXJHL-LBPRGKRZSA-N 1 3 318.292 3.989 20 0 DHADHO CC[NH+](CC)CCC[C@@H](C)NCc1ccnc(Cl)c1Cl ZINC000290959112 1030264846 /nfs/dbraw/zinc/26/48/46/1030264846.db2.gz WAIARKPHWSXJHL-GFCCVEGCSA-N 1 3 318.292 3.989 20 0 DHADHO C[C@@H](NC1CC[NH+]([C@H](C)c2ccccc2)CC1)C1(Cl)CC1 ZINC000925080486 1030264940 /nfs/dbraw/zinc/26/49/40/1030264940.db2.gz UVTBKLGLSRTVGZ-HUUCEWRRSA-N 1 3 306.881 3.962 20 0 DHADHO Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925082241 1030265630 /nfs/dbraw/zinc/26/56/30/1030265630.db2.gz IRSCRDMLXDMSTG-KUHUBIRLSA-N 1 3 324.472 3.575 20 0 DHADHO CSc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000358037589 1030291061 /nfs/dbraw/zinc/29/10/61/1030291061.db2.gz RFZJKSCXQQDSCN-YJBOKZPZSA-N 1 3 316.514 3.857 20 0 DHADHO CSc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000358037589 1030291071 /nfs/dbraw/zinc/29/10/71/1030291071.db2.gz RFZJKSCXQQDSCN-YJBOKZPZSA-N 1 3 316.514 3.857 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3sccc32)C[C@@H](C)O1 ZINC000358040695 1030293430 /nfs/dbraw/zinc/29/34/30/1030293430.db2.gz SKJWIKHCGAAUAW-INMHGKMJSA-N 1 3 322.518 3.605 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3sccc32)C[C@H](C)O1 ZINC000358040699 1030294665 /nfs/dbraw/zinc/29/46/65/1030294665.db2.gz SKJWIKHCGAAUAW-UXLLHSPISA-N 1 3 322.518 3.605 20 0 DHADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925308357 1030341194 /nfs/dbraw/zinc/34/11/94/1030341194.db2.gz QHNJZKYTDVMBRX-HNNXBMFYSA-N 1 3 318.505 3.828 20 0 DHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171022584 1030346569 /nfs/dbraw/zinc/34/65/69/1030346569.db2.gz NSKPJDRIRDPZER-OWCLPIDISA-N 1 3 306.881 3.660 20 0 DHADHO COCC1CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000823747631 1030384392 /nfs/dbraw/zinc/38/43/92/1030384392.db2.gz GXTONUDPZAKDOX-UHFFFAOYSA-N 1 3 322.537 3.826 20 0 DHADHO CC(C)c1nc(CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)cs1 ZINC000925564369 1030404442 /nfs/dbraw/zinc/40/44/42/1030404442.db2.gz HXBFATOVGALVTA-IRXDYDNUSA-N 1 3 321.534 3.567 20 0 DHADHO Clc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000533536406 1030422249 /nfs/dbraw/zinc/42/22/49/1030422249.db2.gz LMNUMYSOJXCLKS-MAUKXSAKSA-N 1 3 304.865 3.789 20 0 DHADHO Clc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000533536406 1030422259 /nfs/dbraw/zinc/42/22/59/1030422259.db2.gz LMNUMYSOJXCLKS-MAUKXSAKSA-N 1 3 304.865 3.789 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCC2(c3ccc(C(F)(F)F)cc3)CC2)C12CCC2 ZINC000925645815 1030431832 /nfs/dbraw/zinc/43/18/32/1030431832.db2.gz TYVCUXLUHOMFPE-LSDHHAIUSA-N 1 3 324.390 3.597 20 0 DHADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC(F)(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925652003 1030440521 /nfs/dbraw/zinc/44/05/21/1030440521.db2.gz ABRSWIYFHGHWPI-WGBTXMCUSA-N 1 3 322.855 3.786 20 0 DHADHO [NH3+][C@H]1C[C@@H](N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C12CCC2 ZINC000925656819 1030444443 /nfs/dbraw/zinc/44/44/43/1030444443.db2.gz PNPJUAFSDHADBF-QCEMKRCNSA-N 1 3 324.390 3.811 20 0 DHADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925662546 1030446367 /nfs/dbraw/zinc/44/63/67/1030446367.db2.gz JDCBFIKLJNYHJU-XPMGTNJCSA-N 1 3 304.865 3.705 20 0 DHADHO C[C@H]([NH3+])[C@H](NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccccc1 ZINC000925733684 1030469512 /nfs/dbraw/zinc/46/95/12/1030469512.db2.gz LIJPSHHNVZLJNE-HNKHHVNMSA-N 1 3 312.379 3.809 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000925780043 1030496583 /nfs/dbraw/zinc/49/65/83/1030496583.db2.gz QZKBYKCGNKLFHG-GXSJLCMTSA-N 1 3 323.214 3.889 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCC1(c2ccccc2)CC1 ZINC000925804625 1030502899 /nfs/dbraw/zinc/50/28/99/1030502899.db2.gz KZQCHIOQWHGIFJ-OAHLLOKOSA-N 1 3 309.457 3.621 20 0 DHADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1cc(Cl)cc(Cl)c1F ZINC000925829621 1030512181 /nfs/dbraw/zinc/51/21/81/1030512181.db2.gz PKPYMSUHIXRPNN-ONGXEEELSA-N 1 3 323.239 3.537 20 0 DHADHO FC1(F)[C@@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000925840239 1030517441 /nfs/dbraw/zinc/51/74/41/1030517441.db2.gz UTNWAPMCJZBKGQ-TXTZMMAHSA-N 1 3 320.427 3.546 20 0 DHADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423777 1030571660 /nfs/dbraw/zinc/57/16/60/1030571660.db2.gz RPGKNOGCJDHYEF-FPOVZHCZSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423777 1030571666 /nfs/dbraw/zinc/57/16/66/1030571666.db2.gz RPGKNOGCJDHYEF-FPOVZHCZSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423777 1030571670 /nfs/dbraw/zinc/57/16/70/1030571670.db2.gz RPGKNOGCJDHYEF-FPOVZHCZSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423777 1030571677 /nfs/dbraw/zinc/57/16/77/1030571677.db2.gz RPGKNOGCJDHYEF-FPOVZHCZSA-N 1 3 321.468 3.665 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000824971700 1030688959 /nfs/dbraw/zinc/68/89/59/1030688959.db2.gz XCEZEIRTDCJUJN-AWEZNQCLSA-N 1 3 307.309 3.813 20 0 DHADHO CC(C)CCN1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000926333122 1030701615 /nfs/dbraw/zinc/70/16/15/1030701615.db2.gz NRWSAXHFVWESCM-UHFFFAOYSA-N 1 3 311.473 3.835 20 0 DHADHO CC(C)[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000359013500 1030728463 /nfs/dbraw/zinc/72/84/63/1030728463.db2.gz IQHHIDVERBFUGZ-TZIWHRDSSA-N 1 3 323.484 3.890 20 0 DHADHO CC(C)[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000359013500 1030728481 /nfs/dbraw/zinc/72/84/81/1030728481.db2.gz IQHHIDVERBFUGZ-TZIWHRDSSA-N 1 3 323.484 3.890 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171096301 1030905525 /nfs/dbraw/zinc/90/55/25/1030905525.db2.gz UHOYIWWATHPJTN-LJQANCHMSA-N 1 3 320.908 3.909 20 0 DHADHO CC(C)(F)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000926781005 1030922152 /nfs/dbraw/zinc/92/21/52/1030922152.db2.gz SSJPORBWLMZXFF-AYHJJNSGSA-N 1 3 304.453 3.910 20 0 DHADHO C[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1cccc(C[NH+](C)C)c1 ZINC000926920211 1030994611 /nfs/dbraw/zinc/99/46/11/1030994611.db2.gz PPUQUXZXZFFGIS-CVEARBPZSA-N 1 3 324.468 3.922 20 0 DHADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CCO1 ZINC000872027641 1031413079 /nfs/dbraw/zinc/41/30/79/1031413079.db2.gz FRWBHFAWFJPDES-MOPGFXCFSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H](CC[NH2+][C@@H](C)c1cccc(O)c1)N(C)Cc1ccccc1 ZINC000379649339 1031425526 /nfs/dbraw/zinc/42/55/26/1031425526.db2.gz ONAOXIUURRVSHY-SJORKVTESA-N 1 3 312.457 3.953 20 0 DHADHO C[C@H]1C[C@@H](NCCOc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379658030 1031436930 /nfs/dbraw/zinc/43/69/30/1031436930.db2.gz VEEPGROHWSDZMN-ICSRJNTNSA-N 1 3 324.468 3.708 20 0 DHADHO C[C@H]1C[C@@H](NCCOc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379658030 1031436942 /nfs/dbraw/zinc/43/69/42/1031436942.db2.gz VEEPGROHWSDZMN-ICSRJNTNSA-N 1 3 324.468 3.708 20 0 DHADHO CN(CCC[NH+](C)C)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171159234 1031456017 /nfs/dbraw/zinc/45/60/17/1031456017.db2.gz WQGCNRGYGDTMQV-AWEZNQCLSA-N 1 3 315.288 3.734 20 0 DHADHO CCC[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000537203207 1031538501 /nfs/dbraw/zinc/53/85/01/1031538501.db2.gz QXYHZVGJQHVYLH-AABGKKOBSA-N 1 3 300.490 3.986 20 0 DHADHO CCC[C@H](C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000537203207 1031538514 /nfs/dbraw/zinc/53/85/14/1031538514.db2.gz QXYHZVGJQHVYLH-AABGKKOBSA-N 1 3 300.490 3.986 20 0 DHADHO C[C@H](C[NH2+][C@H](c1cccnc1)C1CCC1)CN1CCCCC1 ZINC000360837781 1031581824 /nfs/dbraw/zinc/58/18/24/1031581824.db2.gz RITFCNRBCDLMSR-APWZRJJASA-N 1 3 301.478 3.634 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H]1C ZINC000929781392 1031605721 /nfs/dbraw/zinc/60/57/21/1031605721.db2.gz PJRGNUYRQDPGPF-VDHUWJSZSA-N 1 3 322.443 3.840 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H]1C ZINC000929781392 1031605728 /nfs/dbraw/zinc/60/57/28/1031605728.db2.gz PJRGNUYRQDPGPF-VDHUWJSZSA-N 1 3 322.443 3.840 20 0 DHADHO COCCN[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000361112169 1031733445 /nfs/dbraw/zinc/73/34/45/1031733445.db2.gz TWVCNDXHKXIQON-LJQANCHMSA-N 1 3 322.468 3.615 20 0 DHADHO CC(C)n1cc(CN2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232261 1031766469 /nfs/dbraw/zinc/76/64/69/1031766469.db2.gz NVRJJIZYHOWWNE-QFBILLFUSA-N 1 3 318.509 3.584 20 0 DHADHO Clc1cccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c1 ZINC000873250321 1031772972 /nfs/dbraw/zinc/77/29/72/1031772972.db2.gz QVMZNZLUCLTLEA-SJPCQFCGSA-N 1 3 304.865 3.634 20 0 DHADHO Cc1sccc1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000294194079 1031865038 /nfs/dbraw/zinc/86/50/38/1031865038.db2.gz RDMNXCVWASPYLN-UHFFFAOYSA-N 1 3 300.471 3.942 20 0 DHADHO COCc1cccc(CNC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000077289146 1031993211 /nfs/dbraw/zinc/99/32/11/1031993211.db2.gz CCQJVZCTWCVCLD-UHFFFAOYSA-N 1 3 324.468 3.587 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000044534159 1032054682 /nfs/dbraw/zinc/05/46/82/1032054682.db2.gz WZYACFWESYKGQN-CHWSQXEVSA-N 1 3 300.368 3.698 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000044534159 1032054695 /nfs/dbraw/zinc/05/46/95/1032054695.db2.gz WZYACFWESYKGQN-CHWSQXEVSA-N 1 3 300.368 3.698 20 0 DHADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000477857089 1033355724 /nfs/dbraw/zinc/35/57/24/1033355724.db2.gz JJDRHNUOVYSBJZ-KRWDZBQOSA-N 1 3 308.510 3.721 20 0 DHADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000477857093 1033356607 /nfs/dbraw/zinc/35/66/07/1033356607.db2.gz JJDRHNUOVYSBJZ-QGZVFWFLSA-N 1 3 308.510 3.721 20 0 DHADHO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477907393 1033364202 /nfs/dbraw/zinc/36/42/02/1033364202.db2.gz ALIGOWXTPWLJOF-MRXNPFEDSA-N 1 3 304.478 3.858 20 0 DHADHO CN1CC2(C1)CC[NH+](C1CCC(Cc3ccccc3)CC1)CC2 ZINC001172824704 1033385416 /nfs/dbraw/zinc/38/54/16/1033385416.db2.gz HIJAZFHTTZACAT-UHFFFAOYSA-N 1 3 312.501 3.816 20 0 DHADHO C[C@H](CSc1ccc(Cl)cc1)N1CC2(C1)CC[NH+](C)CC2 ZINC001172881665 1033456320 /nfs/dbraw/zinc/45/63/20/1033456320.db2.gz KDPKIFYUKNTTOI-CQSZACIVSA-N 1 3 324.921 3.848 20 0 DHADHO C[C@H](NC1(C)CC(F)(F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877834015 1033479544 /nfs/dbraw/zinc/47/95/44/1033479544.db2.gz NVHOCMDICMYYBD-GOEBONIOSA-N 1 3 308.416 3.674 20 0 DHADHO C[C@H](NC1(C)CC(F)(F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877834015 1033479552 /nfs/dbraw/zinc/47/95/52/1033479552.db2.gz NVHOCMDICMYYBD-GOEBONIOSA-N 1 3 308.416 3.674 20 0 DHADHO CO[C@H]1CCC[C@@H]([N@H+](C)C2CCN(C3CCCCC3)CC2)C1 ZINC001172953408 1033494017 /nfs/dbraw/zinc/49/40/17/1033494017.db2.gz OVLCOBOXQKFBDX-MOPGFXCFSA-N 1 3 308.510 3.673 20 0 DHADHO CO[C@H]1CCC[C@@H]([N@@H+](C)C2CCN(C3CCCCC3)CC2)C1 ZINC001172953408 1033494021 /nfs/dbraw/zinc/49/40/21/1033494021.db2.gz OVLCOBOXQKFBDX-MOPGFXCFSA-N 1 3 308.510 3.673 20 0 DHADHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000152461201 1033522986 /nfs/dbraw/zinc/52/29/86/1033522986.db2.gz CWQYBSSCCNSBQC-GUYCJALGSA-N 1 3 324.415 3.813 20 0 DHADHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000152461201 1033522994 /nfs/dbraw/zinc/52/29/94/1033522994.db2.gz CWQYBSSCCNSBQC-GUYCJALGSA-N 1 3 324.415 3.813 20 0 DHADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000152486787 1033523060 /nfs/dbraw/zinc/52/30/60/1033523060.db2.gz MQZKXTOAFKUZGN-IAGOWNOFSA-N 1 3 321.468 3.884 20 0 DHADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000152486787 1033523071 /nfs/dbraw/zinc/52/30/71/1033523071.db2.gz MQZKXTOAFKUZGN-IAGOWNOFSA-N 1 3 321.468 3.884 20 0 DHADHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000152461304 1033525906 /nfs/dbraw/zinc/52/59/06/1033525906.db2.gz CWQYBSSCCNSBQC-SUMWQHHRSA-N 1 3 324.415 3.813 20 0 DHADHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000152461304 1033525914 /nfs/dbraw/zinc/52/59/14/1033525914.db2.gz CWQYBSSCCNSBQC-SUMWQHHRSA-N 1 3 324.415 3.813 20 0 DHADHO CC[NH+](CC)C1CCC(N[C@H](C(C)=O)c2ccccc2)CC1 ZINC001173102455 1033539810 /nfs/dbraw/zinc/53/98/10/1033539810.db2.gz YFFCNZIFFGSFBW-CTWPCTMYSA-N 1 3 302.462 3.559 20 0 DHADHO CN1CCN(c2cccc(Nc3cc[nH+]c(C4CCC4)c3)c2)CC1 ZINC001212712767 1033581878 /nfs/dbraw/zinc/58/18/78/1033581878.db2.gz BRGFATQIBQWASW-UHFFFAOYSA-N 1 3 322.456 3.845 20 0 DHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173198970 1033589551 /nfs/dbraw/zinc/58/95/51/1033589551.db2.gz NFFWYLAJNXKXKG-SFANZJOMSA-N 1 3 316.489 3.839 20 0 DHADHO CCCC[C@@H](CC(C)C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001173257208 1033628611 /nfs/dbraw/zinc/62/86/11/1033628611.db2.gz RLEZBUNZEQMSMQ-FHWLQOOXSA-N 1 3 310.526 3.824 20 0 DHADHO c1csc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)c1 ZINC001204015537 1033653759 /nfs/dbraw/zinc/65/37/59/1033653759.db2.gz GBVFUMBTTVZOBQ-UHFFFAOYSA-N 1 3 312.482 3.846 20 0 DHADHO c1csc([C@H]2CCC[N@H+]2Cc2ccnn2-c2ccncc2)c1 ZINC000667482301 1033750468 /nfs/dbraw/zinc/75/04/68/1033750468.db2.gz ZROXGALXMQYDHW-MRXNPFEDSA-N 1 3 310.426 3.666 20 0 DHADHO c1csc([C@H]2CCC[N@@H+]2Cc2ccnn2-c2ccncc2)c1 ZINC000667482301 1033750483 /nfs/dbraw/zinc/75/04/83/1033750483.db2.gz ZROXGALXMQYDHW-MRXNPFEDSA-N 1 3 310.426 3.666 20 0 DHADHO c1csc([C@H]2CCCN2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667482301 1033750497 /nfs/dbraw/zinc/75/04/97/1033750497.db2.gz ZROXGALXMQYDHW-MRXNPFEDSA-N 1 3 310.426 3.666 20 0 DHADHO CC(C)[N@H+](Cc1ccnn1-c1ccncc1)Cc1ccc(F)cc1 ZINC000667503163 1033786088 /nfs/dbraw/zinc/78/60/88/1033786088.db2.gz BGRDMJFPBUTSAO-UHFFFAOYSA-N 1 3 324.403 3.817 20 0 DHADHO CC(C)[N@@H+](Cc1ccnn1-c1ccncc1)Cc1ccc(F)cc1 ZINC000667503163 1033786096 /nfs/dbraw/zinc/78/60/96/1033786096.db2.gz BGRDMJFPBUTSAO-UHFFFAOYSA-N 1 3 324.403 3.817 20 0 DHADHO CC(C)N(Cc1cccs1)Cc1ccnn1-c1ccncc1 ZINC000667506650 1033790658 /nfs/dbraw/zinc/79/06/58/1033790658.db2.gz KXQQQVPVWUSKSS-UHFFFAOYSA-N 1 3 312.442 3.739 20 0 DHADHO CC(C)[N@H+](Cc1cccs1)Cc1ccnn1-c1ccncc1 ZINC000667506650 1033790672 /nfs/dbraw/zinc/79/06/72/1033790672.db2.gz KXQQQVPVWUSKSS-UHFFFAOYSA-N 1 3 312.442 3.739 20 0 DHADHO CC(C)[N@@H+](Cc1cccs1)Cc1ccnn1-c1ccncc1 ZINC000667506650 1033790688 /nfs/dbraw/zinc/79/06/88/1033790688.db2.gz KXQQQVPVWUSKSS-UHFFFAOYSA-N 1 3 312.442 3.739 20 0 DHADHO CC(C)N(Cc1cccs1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667506650 1033790700 /nfs/dbraw/zinc/79/07/00/1033790700.db2.gz KXQQQVPVWUSKSS-UHFFFAOYSA-N 1 3 312.442 3.739 20 0 DHADHO CC[N@H+](Cc1ccnn1-c1ccncc1)[C@H](C)c1ccc(F)cc1 ZINC000667534082 1033856398 /nfs/dbraw/zinc/85/63/98/1033856398.db2.gz MFKWBZJJAIAFHV-OAHLLOKOSA-N 1 3 324.403 3.990 20 0 DHADHO CC[N@@H+](Cc1ccnn1-c1ccncc1)[C@H](C)c1ccc(F)cc1 ZINC000667534082 1033856415 /nfs/dbraw/zinc/85/64/15/1033856415.db2.gz MFKWBZJJAIAFHV-OAHLLOKOSA-N 1 3 324.403 3.990 20 0 DHADHO C[C@H](c1nc2ccccc2o1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879250233 1033965696 /nfs/dbraw/zinc/96/56/96/1033965696.db2.gz QBWWZGZOSPKTIF-OAHLLOKOSA-N 1 3 313.445 3.697 20 0 DHADHO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000249596652 1034252065 /nfs/dbraw/zinc/25/20/65/1034252065.db2.gz PVWWKTHTTXDLDY-VKJFTORMSA-N 1 3 302.462 3.535 20 0 DHADHO COc1ccc([C@@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000480606445 1034349370 /nfs/dbraw/zinc/34/93/70/1034349370.db2.gz ANQKEUMSTOVVNG-HZPDHXFCSA-N 1 3 322.468 3.997 20 0 DHADHO COc1ccc([C@@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000480606445 1034349386 /nfs/dbraw/zinc/34/93/86/1034349386.db2.gz ANQKEUMSTOVVNG-HZPDHXFCSA-N 1 3 322.468 3.997 20 0 DHADHO COC1(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCCCC1 ZINC000480659336 1034378982 /nfs/dbraw/zinc/37/89/82/1034378982.db2.gz FKEURINFIVDCFV-HKUYNNGSSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCc2cccnc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000380066703 1034446307 /nfs/dbraw/zinc/44/63/07/1034446307.db2.gz POBKDWKLSSFWEL-PWIZWCRZSA-N 1 3 321.468 3.569 20 0 DHADHO C[C@]1(C[NH2+]C2CCN(CC3CCCCC3)CC2)CCCS1 ZINC000120455092 1034566824 /nfs/dbraw/zinc/56/68/24/1034566824.db2.gz WLACHIQVZOQCIJ-GOSISDBHSA-N 1 3 310.551 3.906 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cnc(Cl)c(F)c1 ZINC000865414306 1034632525 /nfs/dbraw/zinc/63/25/25/1034632525.db2.gz BFJMVJQGVSLNSK-CYBMUJFWSA-N 1 3 313.848 3.618 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cnc(Cl)c(F)c1 ZINC000865414306 1034632537 /nfs/dbraw/zinc/63/25/37/1034632537.db2.gz BFJMVJQGVSLNSK-CYBMUJFWSA-N 1 3 313.848 3.618 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)C1 ZINC000187791675 1034735019 /nfs/dbraw/zinc/73/50/19/1034735019.db2.gz UHUVJRFHCLJDPQ-RHSMWYFYSA-N 1 3 320.502 3.554 20 0 DHADHO C[NH+](C)Cc1ccccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506564 1035019402 /nfs/dbraw/zinc/01/94/02/1035019402.db2.gz GPRYRWHCUHQTKA-UHFFFAOYSA-N 1 3 321.468 3.950 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)[C@H](C)C1 ZINC000482003809 1035042586 /nfs/dbraw/zinc/04/25/86/1035042586.db2.gz VSFSBMGZQPECAS-OXQOHEQNSA-N 1 3 313.489 3.947 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)[C@H](C)C1 ZINC000482003809 1035042594 /nfs/dbraw/zinc/04/25/94/1035042594.db2.gz VSFSBMGZQPECAS-OXQOHEQNSA-N 1 3 313.489 3.947 20 0 DHADHO CC[N@@H+]1CC[C@@H](NC2CC(F)(c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000482059492 1035052936 /nfs/dbraw/zinc/05/29/36/1035052936.db2.gz GHWNPSWFRLOCDH-SJSXWMTQSA-N 1 3 324.871 3.987 20 0 DHADHO CC[N@H+]1CC[C@@H](NC2CC(F)(c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000482059492 1035052943 /nfs/dbraw/zinc/05/29/43/1035052943.db2.gz GHWNPSWFRLOCDH-SJSXWMTQSA-N 1 3 324.871 3.987 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(OC2CCCCC2)cc1 ZINC000482132861 1035058511 /nfs/dbraw/zinc/05/85/11/1035058511.db2.gz IRUMKLVLZIZZNA-OXJNMPFZSA-N 1 3 316.489 3.828 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(OC2CCCCC2)cc1 ZINC000482132861 1035058519 /nfs/dbraw/zinc/05/85/19/1035058519.db2.gz IRUMKLVLZIZZNA-OXJNMPFZSA-N 1 3 316.489 3.828 20 0 DHADHO C[C@H]1C[C@H](c2ccc(F)cc2)CN1CCC[NH+]1CCCCC1 ZINC000482687290 1035161112 /nfs/dbraw/zinc/16/11/12/1035161112.db2.gz BRGOIKDUKIGRTP-WMZOPIPTSA-N 1 3 304.453 3.880 20 0 DHADHO c1ccc2c(c1)CC[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000484495104 1035352632 /nfs/dbraw/zinc/35/26/32/1035352632.db2.gz PWAASQUBXOOBEH-FQEVSTJZSA-N 1 3 312.501 3.931 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(O)c1 ZINC000194971214 1035381424 /nfs/dbraw/zinc/38/14/24/1035381424.db2.gz IUBXHUWALFAYJS-WMZOPIPTSA-N 1 3 310.441 3.565 20 0 DHADHO C[NH2+]CCC1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904301709 1035397220 /nfs/dbraw/zinc/39/72/20/1035397220.db2.gz PKYNJAGEAUWWTJ-UHFFFAOYSA-N 1 3 300.368 3.585 20 0 DHADHO Fc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1C(F)F ZINC000904351047 1035402935 /nfs/dbraw/zinc/40/29/35/1035402935.db2.gz UGHBFJPLSURUKI-CQSZACIVSA-N 1 3 312.379 3.585 20 0 DHADHO c1nc(C2CC2)sc1CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416092 1035411060 /nfs/dbraw/zinc/41/10/60/1035411060.db2.gz GVKGDRRBGRSBBU-AWEZNQCLSA-N 1 3 319.518 3.622 20 0 DHADHO COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000195133319 1035414983 /nfs/dbraw/zinc/41/49/83/1035414983.db2.gz KARVXEXJAQGFDI-PKOBYXMFSA-N 1 3 324.468 3.868 20 0 DHADHO C[C@]1(C[NH3+])CCCN(Cc2cc3sccc3nc2Cl)CC1 ZINC001206325754 1035422728 /nfs/dbraw/zinc/42/27/28/1035422728.db2.gz IZBOMONMDUAXQV-INIZCTEOSA-N 1 3 323.893 3.901 20 0 DHADHO F[C@H]1CCCC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001179304563 1035472767 /nfs/dbraw/zinc/47/27/67/1035472767.db2.gz NSYGSYGPJIZVCE-RBUKOAKNSA-N 1 3 320.452 3.532 20 0 DHADHO CCOC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000189346198 1035522377 /nfs/dbraw/zinc/52/23/77/1035522377.db2.gz AORZJCMCRQLXOX-UHOSZYNNSA-N 1 3 310.526 3.680 20 0 DHADHO CCOC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000189346198 1035522389 /nfs/dbraw/zinc/52/23/89/1035522389.db2.gz AORZJCMCRQLXOX-UHOSZYNNSA-N 1 3 310.526 3.680 20 0 DHADHO C[C@@H](C[N@H+](C)CC[C@@H]1CCCCN1C)c1cc(F)cc(F)c1 ZINC001180097752 1035598654 /nfs/dbraw/zinc/59/86/54/1035598654.db2.gz HMQVSEAGUIZTSQ-KSSFIOAISA-N 1 3 310.432 3.875 20 0 DHADHO C[C@@H](C[N@@H+](C)CC[C@@H]1CCCCN1C)c1cc(F)cc(F)c1 ZINC001180097752 1035598655 /nfs/dbraw/zinc/59/86/55/1035598655.db2.gz HMQVSEAGUIZTSQ-KSSFIOAISA-N 1 3 310.432 3.875 20 0 DHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000191498026 1035695970 /nfs/dbraw/zinc/69/59/70/1035695970.db2.gz OKZYULUGWVBSGM-IBGZPJMESA-N 1 3 323.569 3.551 20 0 DHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000191498026 1035695974 /nfs/dbraw/zinc/69/59/74/1035695974.db2.gz OKZYULUGWVBSGM-IBGZPJMESA-N 1 3 323.569 3.551 20 0 DHADHO COc1ccc([C@@H]([NH2+]CC[C@H]2CCCCN2C)C2CC2)cc1 ZINC000539494043 1035746363 /nfs/dbraw/zinc/74/63/63/1035746363.db2.gz VYULHQQATHCGJL-MJGOQNOKSA-N 1 3 302.462 3.610 20 0 DHADHO COc1ccc([C@@H](NCC[C@H]2CCCC[N@@H+]2C)C2CC2)cc1 ZINC000539494043 1035746377 /nfs/dbraw/zinc/74/63/77/1035746377.db2.gz VYULHQQATHCGJL-MJGOQNOKSA-N 1 3 302.462 3.610 20 0 DHADHO COc1ccc([C@@H](NCC[C@H]2CCCC[N@H+]2C)C2CC2)cc1 ZINC000539494043 1035746393 /nfs/dbraw/zinc/74/63/93/1035746393.db2.gz VYULHQQATHCGJL-MJGOQNOKSA-N 1 3 302.462 3.610 20 0 DHADHO C[C@H](Cc1cccc(F)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001168467699 1035802724 /nfs/dbraw/zinc/80/27/24/1035802724.db2.gz JTQIDGMOBNADOX-BEFAXECRSA-N 1 3 304.453 3.611 20 0 DHADHO C[C@H](Cc1cccc(F)c1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001168467699 1035802748 /nfs/dbraw/zinc/80/27/48/1035802748.db2.gz JTQIDGMOBNADOX-BEFAXECRSA-N 1 3 304.453 3.611 20 0 DHADHO C[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)CN1CCCCC1 ZINC000192704046 1035808168 /nfs/dbraw/zinc/80/81/68/1035808168.db2.gz MZBGYMXFWNUDTQ-LPHOPBHVSA-N 1 3 301.478 3.645 20 0 DHADHO CCC(CC)N1CCC([NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168468991 1035942629 /nfs/dbraw/zinc/94/26/29/1035942629.db2.gz QSDLAWBIRMFXMP-HNNXBMFYSA-N 1 3 306.469 3.999 20 0 DHADHO CCC(CC)[NH+]1CCC(N[C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168468991 1035942639 /nfs/dbraw/zinc/94/26/39/1035942639.db2.gz QSDLAWBIRMFXMP-HNNXBMFYSA-N 1 3 306.469 3.999 20 0 DHADHO C[N@H+](C/C=C\c1ccncc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000494923560 1036127100 /nfs/dbraw/zinc/12/71/00/1036127100.db2.gz LVMZGPZYIVYNAJ-HUCIYCNJSA-N 1 3 321.468 3.549 20 0 DHADHO C[N@@H+](C/C=C\c1ccncc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000494923560 1036127106 /nfs/dbraw/zinc/12/71/06/1036127106.db2.gz LVMZGPZYIVYNAJ-HUCIYCNJSA-N 1 3 321.468 3.549 20 0 DHADHO CCCC[N@H+](C)CC1CCN(C/C=C\c2ccncc2)CC1 ZINC000495080237 1036227181 /nfs/dbraw/zinc/22/71/81/1036227181.db2.gz QHAJWCJJOGSKBP-WAYWQWQTSA-N 1 3 301.478 3.539 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(C/C=C\c2ccncc2)CC1 ZINC000495080237 1036227201 /nfs/dbraw/zinc/22/72/01/1036227201.db2.gz QHAJWCJJOGSKBP-WAYWQWQTSA-N 1 3 301.478 3.539 20 0 DHADHO Cc1ccc(C(F)(F)F)c(CN2CCC(CC[NH3+])CC2)c1 ZINC001206500950 1036242633 /nfs/dbraw/zinc/24/26/33/1036242633.db2.gz WQWNRKFBSIPESE-UHFFFAOYSA-N 1 3 300.368 3.575 20 0 DHADHO C[C@@H](CN(C)C)[C@H]1CCCC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC001183066123 1036516500 /nfs/dbraw/zinc/51/65/00/1036516500.db2.gz UWXJKZXDEUJYGL-KBXCAEBGSA-N 1 3 310.432 3.560 20 0 DHADHO C[C@@H](CN(C)C)[C@H]1CCCC[N@H+]1CCc1ccc(F)c(F)c1 ZINC001183066123 1036516511 /nfs/dbraw/zinc/51/65/11/1036516511.db2.gz UWXJKZXDEUJYGL-KBXCAEBGSA-N 1 3 310.432 3.560 20 0 DHADHO CC1(F)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001196582939 1036576783 /nfs/dbraw/zinc/57/67/83/1036576783.db2.gz JOIUDUNMFYCPHL-UHFFFAOYSA-N 1 3 304.453 3.997 20 0 DHADHO C[C@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@H]1CN ZINC001205297020 1036836285 /nfs/dbraw/zinc/83/62/85/1036836285.db2.gz WYWPJKCBPQQZKB-DZGCQCFKSA-N 1 3 314.395 3.555 20 0 DHADHO C[C@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@H]1CN ZINC001205297020 1036836310 /nfs/dbraw/zinc/83/63/10/1036836310.db2.gz WYWPJKCBPQQZKB-DZGCQCFKSA-N 1 3 314.395 3.555 20 0 DHADHO C[C@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC001205297020 1036836327 /nfs/dbraw/zinc/83/63/27/1036836327.db2.gz WYWPJKCBPQQZKB-DZGCQCFKSA-N 1 3 314.395 3.555 20 0 DHADHO CC[NH+](CC)CC1CCN(CCSc2ccccc2F)CC1 ZINC000488290752 1036957190 /nfs/dbraw/zinc/95/71/90/1036957190.db2.gz DSNDCIYIFUYSFF-UHFFFAOYSA-N 1 3 324.509 3.972 20 0 DHADHO CCc1cccc(CNCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC001199238183 1037223440 /nfs/dbraw/zinc/22/34/40/1037223440.db2.gz LQYSAIIUIPYSFV-UHFFFAOYSA-N 1 3 308.469 3.787 20 0 DHADHO CCc1cccc(CNCCC[N@H+]2CCc3ccccc3C2)c1 ZINC001199238183 1037223457 /nfs/dbraw/zinc/22/34/57/1037223457.db2.gz LQYSAIIUIPYSFV-UHFFFAOYSA-N 1 3 308.469 3.787 20 0 DHADHO CCCCN1CCC([NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC001199784093 1037337489 /nfs/dbraw/zinc/33/74/89/1037337489.db2.gz OVQODEOZPGWVGL-PLNGDYQASA-N 1 3 308.416 3.832 20 0 DHADHO c1ccc(C[NH+]2CCCCCC2)c(CNC[C@H]2CCC=CO2)c1 ZINC000775016651 1037399117 /nfs/dbraw/zinc/39/91/17/1037399117.db2.gz RCJNBGMSTUMERK-HXUWFJFHSA-N 1 3 314.473 3.845 20 0 DHADHO COC1CC[NH+](C2CCN(C[C@H](C)CCC=C(C)C)CC2)CC1 ZINC001201497120 1037715111 /nfs/dbraw/zinc/71/51/11/1037715111.db2.gz UTCQCJPXYQJHJZ-GOSISDBHSA-N 1 3 322.537 3.944 20 0 DHADHO c1ccc(CCN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201606205 1037803765 /nfs/dbraw/zinc/80/37/65/1037803765.db2.gz OYIPNUMKDIPPFE-VXKWHMMOSA-N 1 3 320.480 3.683 20 0 DHADHO c1ccc(CCN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201606205 1037803782 /nfs/dbraw/zinc/80/37/82/1037803782.db2.gz OYIPNUMKDIPPFE-VXKWHMMOSA-N 1 3 320.480 3.683 20 0 DHADHO c1ccc(CC[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201606205 1037803800 /nfs/dbraw/zinc/80/38/00/1037803800.db2.gz OYIPNUMKDIPPFE-VXKWHMMOSA-N 1 3 320.480 3.683 20 0 DHADHO c1ccc(CC[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201606205 1037803819 /nfs/dbraw/zinc/80/38/19/1037803819.db2.gz OYIPNUMKDIPPFE-VXKWHMMOSA-N 1 3 320.480 3.683 20 0 DHADHO c1ccc(CCN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201606203 1037806286 /nfs/dbraw/zinc/80/62/86/1037806286.db2.gz OYIPNUMKDIPPFE-FCHUYYIVSA-N 1 3 320.480 3.683 20 0 DHADHO c1ccc(CCN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201606203 1037806297 /nfs/dbraw/zinc/80/62/97/1037806297.db2.gz OYIPNUMKDIPPFE-FCHUYYIVSA-N 1 3 320.480 3.683 20 0 DHADHO c1ccc(CC[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201606203 1037806314 /nfs/dbraw/zinc/80/63/14/1037806314.db2.gz OYIPNUMKDIPPFE-FCHUYYIVSA-N 1 3 320.480 3.683 20 0 DHADHO c1ccc(CC[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201606203 1037806332 /nfs/dbraw/zinc/80/63/32/1037806332.db2.gz OYIPNUMKDIPPFE-FCHUYYIVSA-N 1 3 320.480 3.683 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000124159207 1037886797 /nfs/dbraw/zinc/88/67/97/1037886797.db2.gz RHHLMWHVYRADMP-JKSUJKDBSA-N 1 3 312.457 3.841 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000124159207 1037886817 /nfs/dbraw/zinc/88/68/17/1037886817.db2.gz RHHLMWHVYRADMP-JKSUJKDBSA-N 1 3 312.457 3.841 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000124159207 1037886845 /nfs/dbraw/zinc/88/68/45/1037886845.db2.gz RHHLMWHVYRADMP-JKSUJKDBSA-N 1 3 312.457 3.841 20 0 DHADHO CC(C)COc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000124351859 1037892328 /nfs/dbraw/zinc/89/23/28/1037892328.db2.gz YFYMBTDVQYAAAA-IRXDYDNUSA-N 1 3 316.489 3.856 20 0 DHADHO CC(C)COc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000124351859 1037892347 /nfs/dbraw/zinc/89/23/47/1037892347.db2.gz YFYMBTDVQYAAAA-IRXDYDNUSA-N 1 3 316.489 3.856 20 0 DHADHO Cc1ccc(SC[C@H](C)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000186473810 1037907842 /nfs/dbraw/zinc/90/78/42/1037907842.db2.gz CAGAGRPWPJJVMA-INIZCTEOSA-N 1 3 306.519 3.938 20 0 DHADHO Cc1ccc(F)cc1CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000775202249 1037995014 /nfs/dbraw/zinc/99/50/14/1037995014.db2.gz SZDXWCPQPNPYQU-UHFFFAOYSA-N 1 3 300.421 3.828 20 0 DHADHO C[C@@H](C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)CN1CCCCC1 ZINC000126616606 1038083632 /nfs/dbraw/zinc/08/36/32/1038083632.db2.gz HMTJKIMISHENRY-KBXCAEBGSA-N 1 3 306.881 3.519 20 0 DHADHO c1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc2c1OCC2 ZINC000077324974 1038287505 /nfs/dbraw/zinc/28/75/05/1038287505.db2.gz RNRNERKWTDZGKR-UHFFFAOYSA-N 1 3 322.452 3.507 20 0 DHADHO C[C@@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205603916 1038681864 /nfs/dbraw/zinc/68/18/64/1038681864.db2.gz SOTJTNVRGMCCQG-VXGBXAGGSA-N 1 3 318.358 3.651 20 0 DHADHO C[N@@H+]1CCCC[C@H]1CCN1CCC(c2ccc(F)cc2)CC1 ZINC000760881558 1038957108 /nfs/dbraw/zinc/95/71/08/1038957108.db2.gz MAYFJMGUQFSJTK-IBGZPJMESA-N 1 3 304.453 3.880 20 0 DHADHO C[N@H+]1CCCC[C@H]1CCN1CCC(c2ccc(F)cc2)CC1 ZINC000760881558 1038957126 /nfs/dbraw/zinc/95/71/26/1038957126.db2.gz MAYFJMGUQFSJTK-IBGZPJMESA-N 1 3 304.453 3.880 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCCCCCO)C1 ZINC000173748839 1040402441 /nfs/dbraw/zinc/40/24/41/1040402441.db2.gz QVXCFTGGBVMPBH-RTBURBONSA-N 1 3 310.526 3.516 20 0 DHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCCCCCO)C1 ZINC000173748839 1040402454 /nfs/dbraw/zinc/40/24/54/1040402454.db2.gz QVXCFTGGBVMPBH-RTBURBONSA-N 1 3 310.526 3.516 20 0 DHADHO CC[NH+]1CCC(N[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000040227694 183047722 /nfs/dbraw/zinc/04/77/22/183047722.db2.gz YIJVDLIEVSZJGC-INIZCTEOSA-N 1 3 323.278 3.510 20 0 DHADHO COCc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340185759 131021284 /nfs/dbraw/zinc/02/12/84/131021284.db2.gz PCPUQKZLOLAJOW-NHCUHLMSSA-N 1 3 324.468 3.758 20 0 DHADHO COCc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000340185759 131021285 /nfs/dbraw/zinc/02/12/85/131021285.db2.gz PCPUQKZLOLAJOW-NHCUHLMSSA-N 1 3 324.468 3.758 20 0 DHADHO Cc1ccnc([C@@H](C)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000286314562 131229476 /nfs/dbraw/zinc/22/94/76/131229476.db2.gz XGKVRFPVXQUEMI-QGZVFWFLSA-N 1 3 303.494 3.799 20 0 DHADHO C[N@@H+]1CC[C@@H](NCc2ccc3c(c2)COC3)C[C@H]1c1ccccc1 ZINC000340307299 131368718 /nfs/dbraw/zinc/36/87/18/131368718.db2.gz UNQJTEFOKVTZML-RTWAWAEBSA-N 1 3 322.452 3.642 20 0 DHADHO C[N@H+]1CC[C@@H](NCc2ccc3c(c2)COC3)C[C@H]1c1ccccc1 ZINC000340307299 131368719 /nfs/dbraw/zinc/36/87/19/131368719.db2.gz UNQJTEFOKVTZML-RTWAWAEBSA-N 1 3 322.452 3.642 20 0 DHADHO FC1(F)CCCC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297341569 132011477 /nfs/dbraw/zinc/01/14/77/132011477.db2.gz FEXNVWPFPGOILO-OAHLLOKOSA-N 1 3 323.431 3.856 20 0 DHADHO Cc1cccnc1[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000298318002 132055901 /nfs/dbraw/zinc/05/59/01/132055901.db2.gz IFEROIRWFCIITL-LJQANCHMSA-N 1 3 324.472 3.741 20 0 DHADHO C[NH+]1CCC(C)(CNCc2cc(Cl)sc2Cl)CC1 ZINC000312626209 331689758 /nfs/dbraw/zinc/68/97/58/331689758.db2.gz OIOKXMKQWISMDP-UHFFFAOYSA-N 1 3 307.290 3.876 20 0 DHADHO C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000518272779 332004454 /nfs/dbraw/zinc/00/44/54/332004454.db2.gz OBTYHBYDBXFOMK-SDXDJHTJSA-N 1 3 324.468 3.820 20 0 DHADHO CN(C)CCOc1cccc(C[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000518501870 332068392 /nfs/dbraw/zinc/06/83/92/332068392.db2.gz BNASNSTVFMBHGD-IBGZPJMESA-N 1 3 316.489 3.830 20 0 DHADHO CC(C)CC[C@](C)(O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000159343646 332078948 /nfs/dbraw/zinc/07/89/48/332078948.db2.gz NRQIQOVNOAJUAW-IBGZPJMESA-N 1 3 310.526 3.560 20 0 DHADHO CC(C)CC[C@](C)(O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000159343646 332078949 /nfs/dbraw/zinc/07/89/49/332078949.db2.gz NRQIQOVNOAJUAW-IBGZPJMESA-N 1 3 310.526 3.560 20 0 DHADHO [NH3+]CCC[C@@H](NCc1ccnc2ccccc12)c1ccccc1 ZINC000569572698 332141967 /nfs/dbraw/zinc/14/19/67/332141967.db2.gz JNOBFFNFNROXJE-LJQANCHMSA-N 1 3 305.425 3.805 20 0 DHADHO CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000387555170 332359100 /nfs/dbraw/zinc/35/91/00/332359100.db2.gz RJMGXXHVUIXGNC-IRXDYDNUSA-N 1 3 304.478 3.858 20 0 DHADHO C[NH2+]CCC1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000261679186 332640715 /nfs/dbraw/zinc/64/07/15/332640715.db2.gz HXEHHINTUWWMDT-UHFFFAOYSA-N 1 3 312.457 3.540 20 0 DHADHO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000570041842 332705894 /nfs/dbraw/zinc/70/58/94/332705894.db2.gz GDUXIHOEVIYWRO-INIZCTEOSA-N 1 3 318.505 3.558 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(Br)cc1 ZINC000181133241 333029248 /nfs/dbraw/zinc/02/92/48/333029248.db2.gz CJZZCIOPVLPDQJ-WFASDCNBSA-N 1 3 311.267 3.584 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCc2cccnc2)CC1 ZINC000177869572 333132755 /nfs/dbraw/zinc/13/27/55/333132755.db2.gz PMIZZUVJNYMUHJ-SFHVURJKSA-N 1 3 315.505 3.601 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCc2cccnc2)CC1 ZINC000177869572 333132756 /nfs/dbraw/zinc/13/27/56/333132756.db2.gz PMIZZUVJNYMUHJ-SFHVURJKSA-N 1 3 315.505 3.601 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C/C=C/c1ccc(F)cc1F)C2 ZINC000582030387 333174671 /nfs/dbraw/zinc/17/46/71/333174671.db2.gz OYXCRGFAPQZFDK-GAEGECQVSA-N 1 3 306.400 3.535 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C/C=C/c1ccc(F)cc1F)C2 ZINC000582030387 333174673 /nfs/dbraw/zinc/17/46/73/333174673.db2.gz OYXCRGFAPQZFDK-GAEGECQVSA-N 1 3 306.400 3.535 20 0 DHADHO C[C@@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000188775296 333251674 /nfs/dbraw/zinc/25/16/74/333251674.db2.gz OQTDNWOAXFMVIV-LALPHHSUSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000188775296 333251675 /nfs/dbraw/zinc/25/16/75/333251675.db2.gz OQTDNWOAXFMVIV-LALPHHSUSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(OC(F)F)c1 ZINC000019992357 333294893 /nfs/dbraw/zinc/29/48/93/333294893.db2.gz NXVRSORDAZMDKL-GFCCVEGCSA-N 1 3 300.393 3.526 20 0 DHADHO CC(C)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000390635225 333308647 /nfs/dbraw/zinc/30/86/47/333308647.db2.gz JRJPJJWRGDWTFC-UHFFFAOYSA-N 1 3 309.457 3.964 20 0 DHADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(-c2ccccc2)cc1 ZINC000323466799 333338539 /nfs/dbraw/zinc/33/85/39/333338539.db2.gz WHEWFHGRFXJSQJ-QGZVFWFLSA-N 1 3 312.457 3.582 20 0 DHADHO COC[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C(C)C ZINC000390785367 333393526 /nfs/dbraw/zinc/39/35/26/333393526.db2.gz VZRPVQDUCLZCJZ-WOJBJXKFSA-N 1 3 318.505 3.549 20 0 DHADHO c1csc(CN2CCC(C[NH2+][C@H]3CCC34CCC4)CC2)c1 ZINC000337416633 333448518 /nfs/dbraw/zinc/44/85/18/333448518.db2.gz ZNAONYQLJUKQAG-KRWDZBQOSA-N 1 3 304.503 3.882 20 0 DHADHO COCC[C@@H](C)C[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000414200181 333913178 /nfs/dbraw/zinc/91/31/78/333913178.db2.gz AWVNFJAWPTVVBB-MRXNPFEDSA-N 1 3 312.542 3.928 20 0 DHADHO COc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1C ZINC000273025917 334042237 /nfs/dbraw/zinc/04/22/37/334042237.db2.gz DLBXEOZUGVAFFY-MRXNPFEDSA-N 1 3 312.457 3.916 20 0 DHADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000274306332 334059401 /nfs/dbraw/zinc/05/94/01/334059401.db2.gz SDKPKYVXUMMFCL-HNNXBMFYSA-N 1 3 302.462 3.776 20 0 DHADHO Cc1cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414663545 334061762 /nfs/dbraw/zinc/06/17/62/334061762.db2.gz SKGUPDOZVFGRAK-JSGCOSHPSA-N 1 3 300.368 3.573 20 0 DHADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414791351 334098113 /nfs/dbraw/zinc/09/81/13/334098113.db2.gz HSXBUYJOJZAREV-MFKMUULPSA-N 1 3 306.759 3.576 20 0 DHADHO COc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1SC ZINC000414807725 334104258 /nfs/dbraw/zinc/10/42/58/334104258.db2.gz JMEIAXIIPNUEPD-CYBMUJFWSA-N 1 3 316.470 3.727 20 0 DHADHO CCCC[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414806316 334104350 /nfs/dbraw/zinc/10/43/50/334104350.db2.gz BIXPZLJNOLLOPL-HOTGVXAUSA-N 1 3 319.493 3.634 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)c1ccc(C(F)(F)F)cc1 ZINC000414824157 334108808 /nfs/dbraw/zinc/10/88/08/334108808.db2.gz QDAKHWIVSFGIIF-VNHYZAJKSA-N 1 3 314.395 3.787 20 0 DHADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)[C@@H]1CCCNC1 ZINC000414853572 334127075 /nfs/dbraw/zinc/12/70/75/334127075.db2.gz LBTWPHBOECPVPM-NXHKRRBXSA-N 1 3 300.490 3.937 20 0 DHADHO FC(F)C1CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000282125266 334131634 /nfs/dbraw/zinc/13/16/34/334131634.db2.gz BAGJAZNEMGFZTP-UHFFFAOYSA-N 1 3 323.431 3.712 20 0 DHADHO COc1ccc(C2CCC([NH2+][C@H](C)[C@@H]3CCCNC3)CC2)cc1 ZINC000414862334 334133302 /nfs/dbraw/zinc/13/33/02/334133302.db2.gz XIEIEUQUDHLGCY-JCJXWUGKSA-N 1 3 316.489 3.699 20 0 DHADHO C[C@@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)[C@@H]1CCCNC1 ZINC000414865670 334135875 /nfs/dbraw/zinc/13/58/75/334135875.db2.gz ZLJUUVSXUPXIID-NXMBOHNASA-N 1 3 300.490 3.865 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c(C)c1OC ZINC000286248162 334152446 /nfs/dbraw/zinc/15/24/46/334152446.db2.gz UGTFFVBSHUBCGV-JYJNAYRXSA-N 1 3 320.477 3.536 20 0 DHADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@@H]([NH3+])C1CC1 ZINC000414892055 334158524 /nfs/dbraw/zinc/15/85/24/334158524.db2.gz PFXSSCRUVLISQY-DZGCQCFKSA-N 1 3 301.261 3.641 20 0 DHADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414931725 334195304 /nfs/dbraw/zinc/19/53/04/334195304.db2.gz BZSRPJHPWBXVHV-XJKCOSOUSA-N 1 3 314.395 3.614 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414943994 334203460 /nfs/dbraw/zinc/20/34/60/334203460.db2.gz OTOCQOMHOFHEQZ-GCJKJVERSA-N 1 3 322.496 3.676 20 0 DHADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414944351 334204099 /nfs/dbraw/zinc/20/40/99/334204099.db2.gz GURXLRHHMYJTQN-IOASZLSFSA-N 1 3 314.395 3.757 20 0 DHADHO C[C@H](CCc1cccc(C(F)(F)F)c1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414944351 334204102 /nfs/dbraw/zinc/20/41/02/334204102.db2.gz GURXLRHHMYJTQN-IOASZLSFSA-N 1 3 314.395 3.757 20 0 DHADHO Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCNC[C@@H]3C)s2)cc1 ZINC000414964375 334213557 /nfs/dbraw/zinc/21/35/57/334213557.db2.gz VAJBEQALSZHKAX-WMLDXEAASA-N 1 3 300.471 3.811 20 0 DHADHO c1ccc2c(c1)cccc2OCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415082278 334273228 /nfs/dbraw/zinc/27/32/28/334273228.db2.gz DBHBUCSUCJTKST-VAMGGRTRSA-N 1 3 324.468 3.729 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415082349 334273259 /nfs/dbraw/zinc/27/32/59/334273259.db2.gz OFSWLIIVMKSSAA-IOASZLSFSA-N 1 3 314.395 3.757 20 0 DHADHO C[C@H](CCNC[C@]1(C)CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415086293 334273338 /nfs/dbraw/zinc/27/33/38/334273338.db2.gz JKSHVUWSACYESP-CJNGLKHVSA-N 1 3 314.395 3.788 20 0 DHADHO Cc1ccc(-c2nc(CNC[C@@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000415003431 334241668 /nfs/dbraw/zinc/24/16/68/334241668.db2.gz XDUIFNMXJMIDBO-GDBMZVCRSA-N 1 3 315.486 3.726 20 0 DHADHO CCOc1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1F ZINC000415055853 334261695 /nfs/dbraw/zinc/26/16/95/334261695.db2.gz PCJMWYHKOIBKIJ-GOSISDBHSA-N 1 3 316.420 3.794 20 0 DHADHO Cc1ccc(N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(CN(C)C)c1 ZINC000415112643 334281849 /nfs/dbraw/zinc/28/18/49/334281849.db2.gz CYIGAYHPAJDEOW-PZJWPPBQSA-N 1 3 323.484 3.962 20 0 DHADHO c1ccc(C[C@@H](C[NH2+][C@@H]2CCCNCC2)c2ccccc2)cc1 ZINC000415113684 334282289 /nfs/dbraw/zinc/28/22/89/334282289.db2.gz FDZNYHSOASPABU-LEWJYISDSA-N 1 3 308.469 3.745 20 0 DHADHO CCCC[C@@H](CC)[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000415126927 334283676 /nfs/dbraw/zinc/28/36/76/334283676.db2.gz HIFLRTLHFOKKBM-LJQANCHMSA-N 1 3 317.521 3.538 20 0 DHADHO CC(C)c1nc(CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)cs1 ZINC000415121722 334284582 /nfs/dbraw/zinc/28/45/82/334284582.db2.gz ZJLVZPIJCHMYQZ-CABCVRRESA-N 1 3 309.523 3.709 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCC(C)(C)O3)CC2)C1 ZINC000187871110 334317459 /nfs/dbraw/zinc/31/74/59/334317459.db2.gz GJTWAUUWDRZZRN-NJAFHUGGSA-N 1 3 308.510 3.577 20 0 DHADHO COCCC[NH+]1CCC(N[C@H](CC2CC2)c2ccccc2)CC1 ZINC000531962992 334320879 /nfs/dbraw/zinc/32/08/79/334320879.db2.gz RMONSOGFBCCFDT-HXUWFJFHSA-N 1 3 316.489 3.618 20 0 DHADHO CC(C)C[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000341266572 334426899 /nfs/dbraw/zinc/42/68/99/334426899.db2.gz KWNDCVPFYWIJFI-INIZCTEOSA-N 1 3 304.478 3.684 20 0 DHADHO Cc1nn(C(C)C)cc1CNCC1CC[NH+](CCC(C)C)CC1 ZINC000341413772 334443686 /nfs/dbraw/zinc/44/36/86/334443686.db2.gz YNILGBAUTPRZJF-UHFFFAOYSA-N 1 3 320.525 3.620 20 0 DHADHO CC(C)c1cccc2c1OCCC[C@H]2NCC1=CC[N@H+](C)CC1 ZINC000344335453 335241950 /nfs/dbraw/zinc/24/19/50/335241950.db2.gz TYEYGOKNNQEITB-LJQANCHMSA-N 1 3 314.473 3.875 20 0 DHADHO CC(C)c1cccc2c1OCCC[C@H]2NCC1=CC[N@@H+](C)CC1 ZINC000344335453 335241951 /nfs/dbraw/zinc/24/19/51/335241951.db2.gz TYEYGOKNNQEITB-LJQANCHMSA-N 1 3 314.473 3.875 20 0 DHADHO CCN(Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000345195084 335306741 /nfs/dbraw/zinc/30/67/41/335306741.db2.gz YWTBVNRAHSQKCX-HNNXBMFYSA-N 1 3 300.368 3.669 20 0 DHADHO Cc1ccc([C@@H](CNc2ccnc3ccccc32)[NH+](C)C)cc1 ZINC000520318241 335963717 /nfs/dbraw/zinc/96/37/17/335963717.db2.gz FKTBVCAIHDFHTI-HXUWFJFHSA-N 1 3 305.425 3.680 20 0 DHADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000526112971 336165202 /nfs/dbraw/zinc/16/52/02/336165202.db2.gz PMMLLVJOGGSIQV-SJORKVTESA-N 1 3 306.469 3.887 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](C)c2ccc(F)cc2)C1 ZINC000526112971 336165204 /nfs/dbraw/zinc/16/52/04/336165204.db2.gz PMMLLVJOGGSIQV-SJORKVTESA-N 1 3 306.469 3.887 20 0 DHADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](C)c2ccc(F)cc2)C1 ZINC000526112971 336165205 /nfs/dbraw/zinc/16/52/05/336165205.db2.gz PMMLLVJOGGSIQV-SJORKVTESA-N 1 3 306.469 3.887 20 0 DHADHO CCc1ccc(CNCc2ccc(C[NH+](CC)CC)cc2)cn1 ZINC000352250336 336206821 /nfs/dbraw/zinc/20/68/21/336206821.db2.gz GVSQHAVPSIBWIC-UHFFFAOYSA-N 1 3 311.473 3.776 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000352553646 336224281 /nfs/dbraw/zinc/22/42/81/336224281.db2.gz CUSGJNHAJVNPBQ-BXWFABGCSA-N 1 3 322.468 3.756 20 0 DHADHO CCC[C@@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000532455429 336248235 /nfs/dbraw/zinc/24/82/35/336248235.db2.gz KZMAZZWOZLSZDF-LJQANCHMSA-N 1 3 317.521 3.675 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C1 ZINC000580363607 336260272 /nfs/dbraw/zinc/26/02/72/336260272.db2.gz GFRXXENDZVMQMS-OTWHNJEPSA-N 1 3 315.505 3.736 20 0 DHADHO Fc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000192922314 336284418 /nfs/dbraw/zinc/28/44/18/336284418.db2.gz SMCVINXEHTWQCO-QGZVFWFLSA-N 1 3 316.395 3.577 20 0 DHADHO Cc1sccc1C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000352886262 336330944 /nfs/dbraw/zinc/33/09/44/336330944.db2.gz PNQLEXNNIDNULK-UHFFFAOYSA-N 1 3 315.486 3.800 20 0 DHADHO Cc1sccc1C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000352886262 336330945 /nfs/dbraw/zinc/33/09/45/336330945.db2.gz PNQLEXNNIDNULK-UHFFFAOYSA-N 1 3 315.486 3.800 20 0 DHADHO Cc1nc2ccccc2c(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000302109860 336348911 /nfs/dbraw/zinc/34/89/11/336348911.db2.gz ZAPLCRWEVMCJQG-APWZRJJASA-N 1 3 309.457 3.772 20 0 DHADHO Cc1nc2ccccc2c(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000302109860 336348912 /nfs/dbraw/zinc/34/89/12/336348912.db2.gz ZAPLCRWEVMCJQG-APWZRJJASA-N 1 3 309.457 3.772 20 0 DHADHO C[C@@H]([NH3+])C1CCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC000110644033 336397008 /nfs/dbraw/zinc/39/70/08/336397008.db2.gz SRUYKEQGPYRHJA-NEPJUHHUSA-N 1 3 311.267 3.569 20 0 DHADHO CO[C@H](C)[C@@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000360707872 336719944 /nfs/dbraw/zinc/71/99/44/336719944.db2.gz OHAMPMSFWRXPOQ-IAGOWNOFSA-N 1 3 304.478 3.576 20 0 DHADHO C[NH+](C)Cc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1 ZINC000360820326 336723174 /nfs/dbraw/zinc/72/31/74/336723174.db2.gz JENJIDSPYZCMLY-FQEVSTJZSA-N 1 3 309.457 3.774 20 0 DHADHO CN1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@H]1c1ccccc1 ZINC000377766732 337060485 /nfs/dbraw/zinc/06/04/85/337060485.db2.gz ZUGOYYOBCPVQIW-QFBILLFUSA-N 1 3 316.395 3.747 20 0 DHADHO c1cc2cc(CNC[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000393843202 337094049 /nfs/dbraw/zinc/09/40/49/337094049.db2.gz APPARMIYSIZUOL-LJQANCHMSA-N 1 3 319.452 3.780 20 0 DHADHO c1cc2cc(CNC[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000393843202 337094050 /nfs/dbraw/zinc/09/40/50/337094050.db2.gz APPARMIYSIZUOL-LJQANCHMSA-N 1 3 319.452 3.780 20 0 DHADHO CC(C)Oc1ccc2ccccc2c1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000582725965 337125950 /nfs/dbraw/zinc/12/59/50/337125950.db2.gz IGOMXFHQJQGOGO-HQRMLTQVSA-N 1 3 324.468 3.796 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccncc1 ZINC000174158199 337139570 /nfs/dbraw/zinc/13/95/70/337139570.db2.gz NGWPLSGPPNTKKL-KYJSFNMBSA-N 1 3 315.486 3.877 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccncc1 ZINC000174158199 337139571 /nfs/dbraw/zinc/13/95/71/337139571.db2.gz NGWPLSGPPNTKKL-KYJSFNMBSA-N 1 3 315.486 3.877 20 0 DHADHO Brc1cccc([C@H]2CCCN2CC2CC[NH2+]CC2)c1 ZINC000178958062 337166588 /nfs/dbraw/zinc/16/65/88/337166588.db2.gz MZWUEFZGEXSSRS-MRXNPFEDSA-N 1 3 323.278 3.586 20 0 DHADHO c1cn(CCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc12 ZINC000321024686 337175978 /nfs/dbraw/zinc/17/59/78/337175978.db2.gz VNRQSODWNLNUPJ-IPMKNSEASA-N 1 3 311.473 3.542 20 0 DHADHO CCn1cc([C@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000181665218 337183676 /nfs/dbraw/zinc/18/36/76/337183676.db2.gz SATDDAOSCIIOOU-IVMQYODDSA-N 1 3 318.509 3.597 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2c(C)noc2C)CC1 ZINC000182762843 337189738 /nfs/dbraw/zinc/18/97/38/337189738.db2.gz PDBYSDBYQIYYAH-UHFFFAOYSA-N 1 3 307.482 3.625 20 0 DHADHO CCc1nc(C)c([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)s1 ZINC000183955652 337195797 /nfs/dbraw/zinc/19/57/97/337195797.db2.gz RSJVXKZDNNHEIL-CYBMUJFWSA-N 1 3 309.523 3.787 20 0 DHADHO CCOC1CC(CC[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000189258013 337278119 /nfs/dbraw/zinc/27/81/19/337278119.db2.gz FUXXSWNJLUPSKZ-UHFFFAOYSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000584437478 337325237 /nfs/dbraw/zinc/32/52/37/337325237.db2.gz KSTSIVBVSHGJEU-APWZRJJASA-N 1 3 318.480 3.811 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000584437478 337325238 /nfs/dbraw/zinc/32/52/38/337325238.db2.gz KSTSIVBVSHGJEU-APWZRJJASA-N 1 3 318.480 3.811 20 0 DHADHO C[NH2+]CCC1CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000262023057 337614408 /nfs/dbraw/zinc/61/44/08/337614408.db2.gz YRCZVMCDNCUYPO-UHFFFAOYSA-N 1 3 316.489 3.636 20 0 DHADHO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)s1 ZINC000422761757 337685474 /nfs/dbraw/zinc/68/54/74/337685474.db2.gz MEZGZOQXGGARNX-AAEUAGOBSA-N 1 3 303.475 3.500 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000422772667 337685876 /nfs/dbraw/zinc/68/58/76/337685876.db2.gz XLQNKSRDJYHYBA-CDXJDZJCSA-N 1 3 323.484 3.911 20 0 DHADHO CCOc1cccc([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422780220 337686203 /nfs/dbraw/zinc/68/62/03/337686203.db2.gz JXUCTLWYACZWGG-KBPBESRZSA-N 1 3 313.445 3.659 20 0 DHADHO COc1ccc(-c2ccc(CN[C@@H]3CCC[C@H]3C[NH3+])s2)cc1 ZINC000422829865 337688278 /nfs/dbraw/zinc/68/82/78/337688278.db2.gz VBXOKOQEALZMKU-WMLDXEAASA-N 1 3 316.470 3.641 20 0 DHADHO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)c(C)c1 ZINC000422890224 337690295 /nfs/dbraw/zinc/69/02/95/337690295.db2.gz ROGCMNVVONCLSZ-JKSUJKDBSA-N 1 3 311.473 3.747 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000422888565 337690326 /nfs/dbraw/zinc/69/03/26/337690326.db2.gz NIHMPVAJKCSRNT-OSAQELSMSA-N 1 3 315.288 3.902 20 0 DHADHO C[C@@H](CCC[NH3+])NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000422931615 337692130 /nfs/dbraw/zinc/69/21/30/337692130.db2.gz CASTYVIBTQMGQV-ZDUSSCGKSA-N 1 3 304.384 3.771 20 0 DHADHO Fc1ccc(C2(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422901629 337693319 /nfs/dbraw/zinc/69/33/19/337693319.db2.gz SJGWCQQOWYZIKU-IPMKNSEASA-N 1 3 316.464 3.758 20 0 DHADHO Fc1ccc(CC2(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422988450 337693772 /nfs/dbraw/zinc/69/37/72/337693772.db2.gz KNBDAKQCFJNTND-CEXWTWQISA-N 1 3 316.464 3.659 20 0 DHADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422949567 337694438 /nfs/dbraw/zinc/69/44/38/337694438.db2.gz UICNOZPGSDDEMI-UFOWKFPKSA-N 1 3 320.480 3.999 20 0 DHADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423113133 337700144 /nfs/dbraw/zinc/70/01/44/337700144.db2.gz YMVJAIXVERKLRO-GXTWGEPZSA-N 1 3 300.899 3.702 20 0 DHADHO CC(C)(C)CCOc1cnccc1CNC1CCC(C[NH3+])CC1 ZINC000423120258 337700442 /nfs/dbraw/zinc/70/04/42/337700442.db2.gz GONXQZCSNTYPOM-UHFFFAOYSA-N 1 3 319.493 3.504 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423128585 337700759 /nfs/dbraw/zinc/70/07/59/337700759.db2.gz LDJBAYXZZRCTIM-XOBRGWDASA-N 1 3 309.457 3.693 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423138296 337701236 /nfs/dbraw/zinc/70/12/36/337701236.db2.gz XPAMXXOVNAAKPC-DDUZABMNSA-N 1 3 313.420 3.585 20 0 DHADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)NCC[C@H](C)[NH3+] ZINC000423224153 337705563 /nfs/dbraw/zinc/70/55/63/337705563.db2.gz IJPMNCSKMFWKRT-QWRGUYRKSA-N 1 3 307.438 3.646 20 0 DHADHO COc1cc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1SC ZINC000423274429 337708905 /nfs/dbraw/zinc/70/89/05/337708905.db2.gz KLPZPYZZCIPBCW-NWANDNLSSA-N 1 3 308.491 3.585 20 0 DHADHO C[C@H](C[NH3+])CN[C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423308891 337711368 /nfs/dbraw/zinc/71/13/68/337711368.db2.gz PCSIOKRGALBBKN-WBMJQRKESA-N 1 3 308.878 3.870 20 0 DHADHO Fc1ccccc1C[C@@H](NCC1=CC[NH2+]CC1)c1ccccc1 ZINC000423340745 337712947 /nfs/dbraw/zinc/71/29/47/337712947.db2.gz CCWHKUMJJUBULG-HXUWFJFHSA-N 1 3 310.416 3.619 20 0 DHADHO C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000423400357 337715615 /nfs/dbraw/zinc/71/56/15/337715615.db2.gz QGNYGMMPQPVOLX-PXFZGMFXSA-N 1 3 316.489 3.550 20 0 DHADHO FC(F)(F)c1cccc(C2CCC(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000423419107 337716737 /nfs/dbraw/zinc/71/67/37/337716737.db2.gz AKHLULUWDSPAGT-VHSAVVPNSA-N 1 3 324.390 3.539 20 0 DHADHO Fc1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423386668 337717997 /nfs/dbraw/zinc/71/79/97/337717997.db2.gz MHRUPGDNYNDIEQ-UXHICEINSA-N 1 3 310.416 3.855 20 0 DHADHO Clc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)CCS2 ZINC000423447237 337719819 /nfs/dbraw/zinc/71/98/19/337719819.db2.gz UACJCFONLNBQIQ-NUEKZKHPSA-N 1 3 322.905 3.855 20 0 DHADHO C[C@H](CCC[NH3+])N[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000423456507 337720453 /nfs/dbraw/zinc/72/04/53/337720453.db2.gz NUZKNGFKVXJLAO-VXGBXAGGSA-N 1 3 307.438 3.727 20 0 DHADHO CC(C)n1cc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000423513909 337724201 /nfs/dbraw/zinc/72/42/01/337724201.db2.gz VSVURWCYKIDVJJ-MAUKXSAKSA-N 1 3 300.450 3.595 20 0 DHADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423545095 337725292 /nfs/dbraw/zinc/72/52/92/337725292.db2.gz XNPMZFAPIHUSQW-MRXNPFEDSA-N 1 3 323.440 3.834 20 0 DHADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000536847266 337744065 /nfs/dbraw/zinc/74/40/65/337744065.db2.gz VJGWUYZLQJYKDA-NEWSRXKRSA-N 1 3 320.521 3.721 20 0 DHADHO CC[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C(C)C ZINC000536875521 337791130 /nfs/dbraw/zinc/79/11/30/337791130.db2.gz HNAHGRDXBGRIFH-FQEVSTJZSA-N 1 3 317.521 3.613 20 0 DHADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000120688172 337879353 /nfs/dbraw/zinc/87/93/53/337879353.db2.gz GQYAKYBMRXGUJB-HXUWFJFHSA-N 1 3 316.489 3.685 20 0 DHADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CC=CCC3)CC2)C[C@@H](C)O1 ZINC000537658121 337957097 /nfs/dbraw/zinc/95/70/97/337957097.db2.gz ARBMLBUCSKKTIY-QWFCFKBJSA-N 1 3 320.521 3.554 20 0 DHADHO [NH3+]Cc1ccc(CNCc2ccc(F)cc2C(F)(F)F)cc1 ZINC000515176435 337981734 /nfs/dbraw/zinc/98/17/34/337981734.db2.gz OANBKLIKPIJCEB-UHFFFAOYSA-N 1 3 312.310 3.593 20 0 DHADHO CC[NH+](CC)CC1CCN(CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000515251212 337983200 /nfs/dbraw/zinc/98/32/00/337983200.db2.gz CVYQFWLIXGYLHC-PKOBYXMFSA-N 1 3 310.526 3.636 20 0 DHADHO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@H](C)CN(C)C ZINC000425938049 338018973 /nfs/dbraw/zinc/01/89/73/338018973.db2.gz VDDNGDWBRRIQSW-MAUKXSAKSA-N 1 3 304.478 3.811 20 0 DHADHO C[C@H]([NH2+][C@H]1CC12CCCC2)c1ccc(OCCN(C)C)cc1 ZINC000429432275 338080826 /nfs/dbraw/zinc/08/08/26/338080826.db2.gz UKEAUMIYLKYJLW-YJBOKZPZSA-N 1 3 302.462 3.610 20 0 DHADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCSc2ccccc2Cl)C1 ZINC000430585949 338109282 /nfs/dbraw/zinc/10/92/82/338109282.db2.gz UIRCIGYRCKXNOJ-UONOGXRCSA-N 1 3 312.910 3.881 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCSCc2ccccc2)[C@@H](C)C1 ZINC000430750964 338113696 /nfs/dbraw/zinc/11/36/96/338113696.db2.gz QYAJPXPKBYIGMD-FUHWJXTLSA-N 1 3 306.519 3.582 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCSCc2ccccc2)[C@@H](C)C1 ZINC000430750964 338113697 /nfs/dbraw/zinc/11/36/97/338113697.db2.gz QYAJPXPKBYIGMD-FUHWJXTLSA-N 1 3 306.519 3.582 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCSCc2ccccc2)[C@@H](C)C1 ZINC000430750966 338113725 /nfs/dbraw/zinc/11/37/25/338113725.db2.gz QYAJPXPKBYIGMD-WMZOPIPTSA-N 1 3 306.519 3.582 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCSCc2ccccc2)[C@@H](C)C1 ZINC000430750966 338113726 /nfs/dbraw/zinc/11/37/26/338113726.db2.gz QYAJPXPKBYIGMD-WMZOPIPTSA-N 1 3 306.519 3.582 20 0 DHADHO FC1(F)CC[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000430753799 338113840 /nfs/dbraw/zinc/11/38/40/338113840.db2.gz LPLPSTYAPMOXKZ-CQSZACIVSA-N 1 3 300.437 3.809 20 0 DHADHO Cc1cc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)c(C)s1 ZINC000432418694 338155694 /nfs/dbraw/zinc/15/56/94/338155694.db2.gz UPUWNBAFXALZJD-ZFWWWQNUSA-N 1 3 310.507 3.516 20 0 DHADHO Cc1cc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)c(C)s1 ZINC000432418694 338155695 /nfs/dbraw/zinc/15/56/95/338155695.db2.gz UPUWNBAFXALZJD-ZFWWWQNUSA-N 1 3 310.507 3.516 20 0 DHADHO CN(C)[C@H]1CCC[N@H+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000432797171 338168348 /nfs/dbraw/zinc/16/83/48/338168348.db2.gz DCETXPQXBSOUDS-FQEVSTJZSA-N 1 3 309.457 3.665 20 0 DHADHO CN(C)[C@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000432797171 338168349 /nfs/dbraw/zinc/16/83/49/338168349.db2.gz DCETXPQXBSOUDS-FQEVSTJZSA-N 1 3 309.457 3.665 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000435374872 338238164 /nfs/dbraw/zinc/23/81/64/338238164.db2.gz RUUZSBYBWNLSPO-KXBFYZLASA-N 1 3 310.441 3.531 20 0 DHADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000436471094 338273237 /nfs/dbraw/zinc/27/32/37/338273237.db2.gz QWTDBJFDKVMRPM-QRWLVFNGSA-N 1 3 307.441 3.574 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000437774529 338320728 /nfs/dbraw/zinc/32/07/28/338320728.db2.gz LKVBFBCHXNCVAP-SJORKVTESA-N 1 3 306.469 3.714 20 0 DHADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000437774529 338320729 /nfs/dbraw/zinc/32/07/29/338320729.db2.gz LKVBFBCHXNCVAP-SJORKVTESA-N 1 3 306.469 3.714 20 0 DHADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000437774529 338320730 /nfs/dbraw/zinc/32/07/30/338320730.db2.gz LKVBFBCHXNCVAP-SJORKVTESA-N 1 3 306.469 3.714 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438221792 338337046 /nfs/dbraw/zinc/33/70/46/338337046.db2.gz XRUWOOLKEJNXAY-HOJAQTOUSA-N 1 3 300.490 3.818 20 0 DHADHO C[NH+](C)CCCC1CCN(CCCC(=O)c2ccccc2)CC1 ZINC000450657357 338696466 /nfs/dbraw/zinc/69/64/66/338696466.db2.gz LHZHOVJFGWUVBT-UHFFFAOYSA-N 1 3 316.489 3.703 20 0 DHADHO C[C@H]1C[C@@H](NC2CCC([NH+]3CCC(C)CC3)CC2)c2nccn21 ZINC000453166937 338801855 /nfs/dbraw/zinc/80/18/55/338801855.db2.gz HSPCATDQPCYCBL-FCCDEINASA-N 1 3 316.493 3.522 20 0 DHADHO C[C@@]1([NH2+]C2CCN(c3ccncc3)CC2)CCCc2ccccc21 ZINC000459488946 339032349 /nfs/dbraw/zinc/03/23/49/339032349.db2.gz WQIWOUQWDOUQJY-OAQYLSRUSA-N 1 3 321.468 3.892 20 0 DHADHO C[C@@H]1CCC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)[C@H]1C ZINC000459537479 339034648 /nfs/dbraw/zinc/03/46/48/339034648.db2.gz YDSFFNRNFRFLED-IXDOHACOSA-N 1 3 301.478 3.712 20 0 DHADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H]1CCC[C@H](C)C1 ZINC000459561113 339035908 /nfs/dbraw/zinc/03/59/08/339035908.db2.gz MHEOVFFWQRZMLM-ULQDDVLXSA-N 1 3 301.478 3.855 20 0 DHADHO CC[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459577767 339036897 /nfs/dbraw/zinc/03/68/97/339036897.db2.gz WJTFBONWBHXBQQ-SJORKVTESA-N 1 3 301.478 3.856 20 0 DHADHO c1cc(N2CCC([NH2+]C[C@@H]3C[C@H]3C3CCCCC3)CC2)ccn1 ZINC000459584637 339037218 /nfs/dbraw/zinc/03/72/18/339037218.db2.gz HTGVRAMAFTYRLF-PXNSSMCTSA-N 1 3 313.489 3.856 20 0 DHADHO Clc1cccc(CC2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000459725351 339044594 /nfs/dbraw/zinc/04/45/94/339044594.db2.gz ZTRFSZXISHDILK-ZWKOTPCHSA-N 1 3 318.892 3.879 20 0 DHADHO Clc1cccc(CC2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000459725351 339044595 /nfs/dbraw/zinc/04/45/95/339044595.db2.gz ZTRFSZXISHDILK-ZWKOTPCHSA-N 1 3 318.892 3.879 20 0 DHADHO CC(C)COc1ccccc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459780912 339048200 /nfs/dbraw/zinc/04/82/00/339048200.db2.gz LVVJMPBJKGGYEP-QGZVFWFLSA-N 1 3 304.478 3.543 20 0 DHADHO CC(C)COc1ccccc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459780912 339048201 /nfs/dbraw/zinc/04/82/01/339048201.db2.gz LVVJMPBJKGGYEP-QGZVFWFLSA-N 1 3 304.478 3.543 20 0 DHADHO COc1cc2ccccc2cc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459790092 339048723 /nfs/dbraw/zinc/04/87/23/339048723.db2.gz QTAKXKBDVKUBTE-MRXNPFEDSA-N 1 3 312.457 3.670 20 0 DHADHO COc1cc2ccccc2cc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459790092 339048724 /nfs/dbraw/zinc/04/87/24/339048724.db2.gz QTAKXKBDVKUBTE-MRXNPFEDSA-N 1 3 312.457 3.670 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000462481482 339079720 /nfs/dbraw/zinc/07/97/20/339079720.db2.gz AMIPTVFEMMAGBM-FUHWJXTLSA-N 1 3 309.457 3.772 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000462481482 339079721 /nfs/dbraw/zinc/07/97/21/339079721.db2.gz AMIPTVFEMMAGBM-FUHWJXTLSA-N 1 3 309.457 3.772 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000462491944 339079938 /nfs/dbraw/zinc/07/99/38/339079938.db2.gz SPKYXKSCVSLWIE-QGZVFWFLSA-N 1 3 309.457 3.916 20 0 DHADHO CC[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCCN(C)C)c2)C1 ZINC000462690146 339084248 /nfs/dbraw/zinc/08/42/48/339084248.db2.gz WUWVKKWDRNABRZ-WMZOPIPTSA-N 1 3 304.478 3.685 20 0 DHADHO CCC(C)(C)C1CCC([NH2+]CCCN2CCCN(C)CC2)CC1 ZINC000462747271 339086570 /nfs/dbraw/zinc/08/65/70/339086570.db2.gz WLOVYRJFQXSBHI-UHFFFAOYSA-N 1 3 323.569 3.599 20 0 DHADHO CC[C@@H]1CCC[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1 ZINC000462750874 339086897 /nfs/dbraw/zinc/08/68/97/339086897.db2.gz RQMRVIGLVYNHNO-MJGOQNOKSA-N 1 3 318.505 3.728 20 0 DHADHO CCC1CCC([NH2+]CCc2ccc(OCCN(C)C)cc2)CC1 ZINC000462750788 339086901 /nfs/dbraw/zinc/08/69/01/339086901.db2.gz RAOAGXXRIQTBHU-UHFFFAOYSA-N 1 3 318.505 3.728 20 0 DHADHO COc1ccc(F)cc1CNCCCCC[NH+]1CCCCC1 ZINC000462791419 339088880 /nfs/dbraw/zinc/08/88/80/339088880.db2.gz AIYJTFNEWUYPFL-UHFFFAOYSA-N 1 3 308.441 3.580 20 0 DHADHO CC(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000463014142 339100431 /nfs/dbraw/zinc/10/04/31/339100431.db2.gz UFRKMKASLLFBDL-RTBURBONSA-N 1 3 322.537 3.965 20 0 DHADHO CC(C)O[C@@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000463014142 339100432 /nfs/dbraw/zinc/10/04/32/339100432.db2.gz UFRKMKASLLFBDL-RTBURBONSA-N 1 3 322.537 3.965 20 0 DHADHO CC(C)(C)[NH+]1CCC(NC2CC(OCc3ccccc3)C2)CC1 ZINC000463574848 339121881 /nfs/dbraw/zinc/12/18/81/339121881.db2.gz DNTZCESUUWJTDD-UHFFFAOYSA-N 1 3 316.489 3.587 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000467435339 339238400 /nfs/dbraw/zinc/23/84/00/339238400.db2.gz XVRKJWFJBTVJHC-RYRKJORJSA-N 1 3 304.478 3.714 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000468355559 339260473 /nfs/dbraw/zinc/26/04/73/339260473.db2.gz HLZVCDZRSPGTNW-HZSPNIEDSA-N 1 3 312.910 3.939 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000468355559 339260474 /nfs/dbraw/zinc/26/04/74/339260474.db2.gz HLZVCDZRSPGTNW-HZSPNIEDSA-N 1 3 312.910 3.939 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OC(C)(C)C)[C@H](C)C1 ZINC000469179245 339282242 /nfs/dbraw/zinc/28/22/42/339282242.db2.gz UDGDKACXZMBGPT-AEFFLSMTSA-N 1 3 318.505 3.992 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3OC3CCCC3)C[C@@H]21 ZINC000469871985 339303340 /nfs/dbraw/zinc/30/33/40/339303340.db2.gz JHYHYIAWYGIZNZ-AYOQOUSVSA-N 1 3 314.473 3.567 20 0 DHADHO CN(C)c1cccc([C@@H]2CCCN2CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000472584796 339374436 /nfs/dbraw/zinc/37/44/36/339374436.db2.gz IVTRJHJBMXKGGZ-ICSRJNTNSA-N 1 3 315.505 3.764 20 0 DHADHO CN(C)c1cccc([C@@H]2CCCN2CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000472584796 339374437 /nfs/dbraw/zinc/37/44/37/339374437.db2.gz IVTRJHJBMXKGGZ-ICSRJNTNSA-N 1 3 315.505 3.764 20 0 DHADHO CN(C)c1cccc([C@H]2CCCN2CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000472584793 339374477 /nfs/dbraw/zinc/37/44/77/339374477.db2.gz IVTRJHJBMXKGGZ-AZUAARDMSA-N 1 3 315.505 3.764 20 0 DHADHO CN(C)c1cccc([C@H]2CCCN2CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000472584793 339374478 /nfs/dbraw/zinc/37/44/78/339374478.db2.gz IVTRJHJBMXKGGZ-AZUAARDMSA-N 1 3 315.505 3.764 20 0 DHADHO Cc1ccc2[nH]c(CN3CCC(CC[NH+](C)C)CC3)cc2c1C ZINC000473132056 339381743 /nfs/dbraw/zinc/38/17/43/339381743.db2.gz KNWFJMPVLTZGPP-UHFFFAOYSA-N 1 3 313.489 3.948 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000474039293 339398330 /nfs/dbraw/zinc/39/83/30/339398330.db2.gz SSVOAYPGZPRDKF-CABCVRRESA-N 1 3 302.453 3.910 20 0 DHADHO CC[NH+](CC)Cc1ccccc1CNC/C=C\c1ccncc1 ZINC000486936473 339738964 /nfs/dbraw/zinc/73/89/64/339738964.db2.gz FNUPTCYDJCAYQQ-FPLPWBNLSA-N 1 3 309.457 3.726 20 0 DHADHO Cc1cc(NC[C@@H](c2ccsc2)N(C)C)c2ccccc2[nH+]1 ZINC000502108885 340095466 /nfs/dbraw/zinc/09/54/66/340095466.db2.gz HFXTXNJCWCGZPB-SFHVURJKSA-N 1 3 311.454 3.741 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000503024316 340119001 /nfs/dbraw/zinc/11/90/01/340119001.db2.gz MZZYUGCSYGZVKD-MISYRCLQSA-N 1 3 300.490 3.748 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000503024316 340119002 /nfs/dbraw/zinc/11/90/02/340119002.db2.gz MZZYUGCSYGZVKD-MISYRCLQSA-N 1 3 300.490 3.748 20 0 DHADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000503024316 340119003 /nfs/dbraw/zinc/11/90/03/340119003.db2.gz MZZYUGCSYGZVKD-MISYRCLQSA-N 1 3 300.490 3.748 20 0 DHADHO Cc1ccccc1OCCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000303066972 340299813 /nfs/dbraw/zinc/29/98/13/340299813.db2.gz NHRFULKUGGIDKB-UHFFFAOYSA-N 1 3 316.489 3.572 20 0 DHADHO CCc1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000303137077 340304384 /nfs/dbraw/zinc/30/43/84/340304384.db2.gz CGFKDZGWESPKOZ-JOCHJYFZSA-N 1 3 322.496 3.903 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510707780 340307412 /nfs/dbraw/zinc/30/74/12/340307412.db2.gz YGTWKPOSJVYJMK-GJZGRUSLSA-N 1 3 310.432 3.607 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000510735348 340308813 /nfs/dbraw/zinc/30/88/13/340308813.db2.gz NTROWCVGFXHOCQ-RBSFLKMASA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000510735348 340308814 /nfs/dbraw/zinc/30/88/14/340308814.db2.gz NTROWCVGFXHOCQ-RBSFLKMASA-N 1 3 308.416 3.502 20 0 DHADHO CCC1CCC([NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000512799327 340378366 /nfs/dbraw/zinc/37/83/66/340378366.db2.gz FDTITOHEVUUDNM-UHFFFAOYSA-N 1 3 304.478 3.685 20 0 DHADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000513014103 340388501 /nfs/dbraw/zinc/38/85/01/340388501.db2.gz FFJSTNNOQRCDIB-HFQYIWAZSA-N 1 3 304.865 3.817 20 0 DHADHO C/C(=C\c1ccc(Cl)cc1)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000513014103 340388502 /nfs/dbraw/zinc/38/85/02/340388502.db2.gz FFJSTNNOQRCDIB-HFQYIWAZSA-N 1 3 304.865 3.817 20 0 DHADHO C/C(=C\c1ccc(Cl)cc1)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000513014103 340388503 /nfs/dbraw/zinc/38/85/03/340388503.db2.gz FFJSTNNOQRCDIB-HFQYIWAZSA-N 1 3 304.865 3.817 20 0 DHADHO CCCC(O)(CCC)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000513223709 340398096 /nfs/dbraw/zinc/39/80/96/340398096.db2.gz NQLDTRYIFJPWKL-MJGOQNOKSA-N 1 3 324.553 3.950 20 0 DHADHO CCCC(O)(CCC)C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000513223709 340398097 /nfs/dbraw/zinc/39/80/97/340398097.db2.gz NQLDTRYIFJPWKL-MJGOQNOKSA-N 1 3 324.553 3.950 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C1CCC1)C1CCC1 ZINC000530211639 340782658 /nfs/dbraw/zinc/78/26/58/340782658.db2.gz NLUIOTBALKMNTQ-CYBMUJFWSA-N 1 3 301.478 3.716 20 0 DHADHO Clc1ccc2c(c1)CC[C@H]2N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000530244693 340783587 /nfs/dbraw/zinc/78/35/87/340783587.db2.gz MRJUMWZWVOFBFK-WNRNVDISSA-N 1 3 304.865 3.838 20 0 DHADHO Fc1cc(F)cc(CCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000130304963 341015029 /nfs/dbraw/zinc/01/50/29/341015029.db2.gz RRSUHEAGSACHTB-UHFFFAOYSA-N 1 3 322.443 3.894 20 0 DHADHO Fc1cc(F)cc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000130304963 341015030 /nfs/dbraw/zinc/01/50/30/341015030.db2.gz RRSUHEAGSACHTB-UHFFFAOYSA-N 1 3 322.443 3.894 20 0 DHADHO C[C@H](CC1CCCCC1)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000544610994 341088798 /nfs/dbraw/zinc/08/87/98/341088798.db2.gz IMVNVEMVWGLPQN-BTHPGYMESA-N 1 3 322.537 3.776 20 0 DHADHO Cc1nc(CCN2CCC(CCC[NH+]3CCCC3)CC2)cs1 ZINC000131608696 341101332 /nfs/dbraw/zinc/10/13/32/341101332.db2.gz QCSDYDUNTYKEEJ-UHFFFAOYSA-N 1 3 321.534 3.582 20 0 DHADHO COc1cccc(C[C@H]2CCCN2CCC[NH+]2CCCCC2)c1 ZINC000547738499 341229686 /nfs/dbraw/zinc/22/96/86/341229686.db2.gz NDVCZXIPJXCEJG-LJQANCHMSA-N 1 3 316.489 3.578 20 0 DHADHO COc1cccc(C[C@@H]2CCCN2CCC[NH+]2CCCCC2)c1 ZINC000547738496 341229697 /nfs/dbraw/zinc/22/96/97/341229697.db2.gz NDVCZXIPJXCEJG-IBGZPJMESA-N 1 3 316.489 3.578 20 0 DHADHO C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C3CCCC3)CC2)C[C@H](C)O1 ZINC000549226477 341289122 /nfs/dbraw/zinc/28/91/22/341289122.db2.gz YPGGYEOLRAWYPE-BJWYYQGGSA-N 1 3 308.510 3.577 20 0 DHADHO COc1ccccc1[C@@H](NC[C@@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000246019621 341322122 /nfs/dbraw/zinc/32/21/22/341322122.db2.gz LHBIDKORABKUGI-JXFKEZNVSA-N 1 3 316.489 3.858 20 0 DHADHO COc1ccccc1[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000246019621 341322123 /nfs/dbraw/zinc/32/21/23/341322123.db2.gz LHBIDKORABKUGI-JXFKEZNVSA-N 1 3 316.489 3.858 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC000246121149 341327822 /nfs/dbraw/zinc/32/78/22/341327822.db2.gz KJKKJISZJCSVKO-SJORKVTESA-N 1 3 303.494 3.524 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC23CCCC3)C[C@H](C)O1 ZINC000551014683 341329319 /nfs/dbraw/zinc/32/93/19/341329319.db2.gz XGGSYJBJHDAWGM-FGTMMUONSA-N 1 3 308.510 3.578 20 0 DHADHO CCCCOc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000551529137 341344056 /nfs/dbraw/zinc/34/40/56/341344056.db2.gz CBNMVLFCIAVSCV-IAGOWNOFSA-N 1 3 304.478 3.858 20 0 DHADHO CCCCOc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000551529137 341344057 /nfs/dbraw/zinc/34/40/57/341344057.db2.gz CBNMVLFCIAVSCV-IAGOWNOFSA-N 1 3 304.478 3.858 20 0 DHADHO CC(C)c1ccccc1OCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000246460822 341349626 /nfs/dbraw/zinc/34/96/26/341349626.db2.gz PVRFYHQWVCZVRK-XYJFISCASA-N 1 3 304.478 3.507 20 0 DHADHO CC(C)c1ccccc1OCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246460822 341349627 /nfs/dbraw/zinc/34/96/27/341349627.db2.gz PVRFYHQWVCZVRK-XYJFISCASA-N 1 3 304.478 3.507 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccc(OC(F)F)c1 ZINC000246992136 341359585 /nfs/dbraw/zinc/35/95/85/341359585.db2.gz JKOBOPDBXQYZSH-NWANDNLSSA-N 1 3 312.404 3.811 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000247137181 341361445 /nfs/dbraw/zinc/36/14/45/341361445.db2.gz SBGAVTGPESJVOC-NSHGMRRFSA-N 1 3 318.505 3.783 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000247137181 341361446 /nfs/dbraw/zinc/36/14/46/341361446.db2.gz SBGAVTGPESJVOC-NSHGMRRFSA-N 1 3 318.505 3.783 20 0 DHADHO CC(C)COc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000247180114 341361944 /nfs/dbraw/zinc/36/19/44/341361944.db2.gz VBWCNRQDQJALSI-LZLYRXPVSA-N 1 3 304.478 3.540 20 0 DHADHO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000248392060 341376364 /nfs/dbraw/zinc/37/63/64/341376364.db2.gz CTNBNBBTKZEFGK-JZXOWHBKSA-N 1 3 316.489 3.999 20 0 DHADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C(C4CC4)C4CC4)[C@H]3C2)cc1 ZINC000248417122 341377284 /nfs/dbraw/zinc/37/72/84/341377284.db2.gz QUKNDIITXQNBDG-SLFFLAALSA-N 1 3 310.485 3.675 20 0 DHADHO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C1(C)C ZINC000248799796 341387084 /nfs/dbraw/zinc/38/70/84/341387084.db2.gz JOGHNWZRPCVBBC-PBWTXFEYSA-N 1 3 322.537 3.821 20 0 DHADHO C[NH+](C)CCCC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000552344926 341388225 /nfs/dbraw/zinc/38/82/25/341388225.db2.gz IKWGCBWYRQZKJQ-GQCTYLIASA-N 1 3 304.453 3.893 20 0 DHADHO CCOC[C@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000248956332 341390621 /nfs/dbraw/zinc/39/06/21/341390621.db2.gz AORZJCMCRQLXOX-NEWSRXKRSA-N 1 3 310.526 3.680 20 0 DHADHO CCOC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000248956332 341390622 /nfs/dbraw/zinc/39/06/22/341390622.db2.gz AORZJCMCRQLXOX-NEWSRXKRSA-N 1 3 310.526 3.680 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H]2CCCSc3ccc(OC)cc32)C1 ZINC000249202672 341395373 /nfs/dbraw/zinc/39/53/73/341395373.db2.gz UHUVJRFHCLJDPQ-PBHICJAKSA-N 1 3 320.502 3.554 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000249376606 341396756 /nfs/dbraw/zinc/39/67/56/341396756.db2.gz KWIRTMCTVYZWOB-OLZOCXBDSA-N 1 3 300.368 3.698 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)C1 ZINC000249376475 341396819 /nfs/dbraw/zinc/39/68/19/341396819.db2.gz KIPPFTXCEWQFDZ-IAGOWNOFSA-N 1 3 304.478 3.714 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)cc1 ZINC000554050301 341441713 /nfs/dbraw/zinc/44/17/13/341441713.db2.gz IGMVAXDVNNRVNA-ROUUACIJSA-N 1 3 304.478 3.541 20 0 DHADHO C[C@H]([NH3+])C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000347005130 341920144 /nfs/dbraw/zinc/92/01/44/341920144.db2.gz BCKWYSDVYHPRAJ-KRWDZBQOSA-N 1 3 324.468 3.825 20 0 DHADHO C[C@@H]([NH2+]CCc1ccsc1)c1cccc(OCCN(C)C)c1 ZINC000177727138 341925574 /nfs/dbraw/zinc/92/55/74/341925574.db2.gz FVLWQMFEIFTDOZ-OAHLLOKOSA-N 1 3 318.486 3.582 20 0 DHADHO C[C@H](CCCC[NH3+])N[C@H](C)c1ccc(F)cc1Br ZINC000423422144 518181861 /nfs/dbraw/zinc/18/18/61/518181861.db2.gz CYDVAEQTGDRDBK-GHMZBOCLSA-N 1 3 317.246 3.756 20 0 DHADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000423030880 518184376 /nfs/dbraw/zinc/18/43/76/518184376.db2.gz KBOZVNTUXZDYDO-MTYUVTTFSA-N 1 3 304.453 3.830 20 0 DHADHO CC(C)n1cc([C@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000157949871 519977284 /nfs/dbraw/zinc/97/72/84/519977284.db2.gz FGKHBNXFKHASTA-SJORKVTESA-N 1 3 306.498 3.627 20 0 DHADHO CC(C)n1cc([C@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000157949871 519977291 /nfs/dbraw/zinc/97/72/91/519977291.db2.gz FGKHBNXFKHASTA-SJORKVTESA-N 1 3 306.498 3.627 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2ccc(C)nc2)CC1 ZINC000154794141 520590337 /nfs/dbraw/zinc/59/03/37/520590337.db2.gz RJJYGJFNSCEWIS-UHFFFAOYSA-N 1 3 303.494 3.724 20 0 DHADHO CC[C@@H](NCc1ccccc1C[NH+](CC)CC)c1cnn(C)c1 ZINC000163758936 522885294 /nfs/dbraw/zinc/88/52/94/522885294.db2.gz VKKGTNAMMHCEKG-LJQANCHMSA-N 1 3 314.477 3.503 20 0 DHADHO C[N@@H+]1CCC[C@H]1CCN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000124797204 523849003 /nfs/dbraw/zinc/84/90/03/523849003.db2.gz JWAXTIKVIJPPOS-KRWDZBQOSA-N 1 3 311.473 3.832 20 0 DHADHO C[N@H+]1CCC[C@H]1CCN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000124797204 523849006 /nfs/dbraw/zinc/84/90/06/523849006.db2.gz JWAXTIKVIJPPOS-KRWDZBQOSA-N 1 3 311.473 3.832 20 0 DHADHO C[C@H]1C[C@@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2ccsc2S1 ZINC000130316043 524810495 /nfs/dbraw/zinc/81/04/95/524810495.db2.gz YKQFTJCDQCTQNA-YWPYICTPSA-N 1 3 308.516 3.747 20 0 DHADHO COc1ccc2c(c1)CCC[C@H]2N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367705430 525522113 /nfs/dbraw/zinc/52/21/13/525522113.db2.gz MPSOBZVIVCNERM-YUBNGQEKSA-N 1 3 314.473 3.630 20 0 DHADHO COc1ccc2c(c1)CCC[C@H]2N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367705430 525522122 /nfs/dbraw/zinc/52/21/22/525522122.db2.gz MPSOBZVIVCNERM-YUBNGQEKSA-N 1 3 314.473 3.630 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000129488062 525566994 /nfs/dbraw/zinc/56/69/94/525566994.db2.gz GYHVHUZPSYXEEJ-SLEUVZQESA-N 1 3 300.368 3.839 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000129488062 525566997 /nfs/dbraw/zinc/56/69/97/525566997.db2.gz GYHVHUZPSYXEEJ-SLEUVZQESA-N 1 3 300.368 3.839 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccncc2)CC1 ZINC000159060997 526245875 /nfs/dbraw/zinc/24/58/75/526245875.db2.gz WWWJXLWOOBCFPO-KRWDZBQOSA-N 1 3 301.478 3.558 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccncc2)CC1 ZINC000159060997 526245878 /nfs/dbraw/zinc/24/58/78/526245878.db2.gz WWWJXLWOOBCFPO-KRWDZBQOSA-N 1 3 301.478 3.558 20 0 DHADHO c1cc2c(cccc2C[NH2+]CC2CCN(c3ccncc3)CC2)[nH]1 ZINC000180275868 526439776 /nfs/dbraw/zinc/43/97/76/526439776.db2.gz NVMCLZJLCOWUEJ-UHFFFAOYSA-N 1 3 320.440 3.569 20 0 DHADHO FC(F)(F)c1ncc(CNCCCCC[NH+]2CCCC2)s1 ZINC000339500199 527690574 /nfs/dbraw/zinc/69/05/74/527690574.db2.gz NWZZLABZGQSOGK-UHFFFAOYSA-N 1 3 321.412 3.518 20 0 DHADHO CC(F)(F)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000297436854 535206766 /nfs/dbraw/zinc/20/67/66/535206766.db2.gz VVSRWIVHTXASKY-OSYLJGHBSA-N 1 3 308.416 3.817 20 0 DHADHO CC(F)(F)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000297436854 535206768 /nfs/dbraw/zinc/20/67/68/535206768.db2.gz VVSRWIVHTXASKY-OSYLJGHBSA-N 1 3 308.416 3.817 20 0 DHADHO Cc1cccnc1CN1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001279378736 1013089180 /nfs/dbraw/zinc/08/91/80/1013089180.db2.gz AJSDYNYAIAXAMY-UHFFFAOYSA-N 1 3 313.489 3.621 20 0 DHADHO Cc1cccnc1CN1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001279378736 1013089197 /nfs/dbraw/zinc/08/91/97/1013089197.db2.gz AJSDYNYAIAXAMY-UHFFFAOYSA-N 1 3 313.489 3.621 20 0 DHADHO C[NH2+]Cc1cn(-c2cc3[nH]ccc3c(C)n2)c2ccc(C)cc12 ZINC001167122621 1013223538 /nfs/dbraw/zinc/22/35/38/1013223538.db2.gz KTZHUHODVPCITP-UHFFFAOYSA-N 1 3 304.397 3.843 20 0 DHADHO NC[C@]12CCC[C@H]1C[N@@H+](C1c3ccccc3-c3ccccc31)C2 ZINC000324385597 1013254882 /nfs/dbraw/zinc/25/48/82/1013254882.db2.gz ZVMZTGMDLOHARV-BTYIYWSLSA-N 1 3 304.437 3.817 20 0 DHADHO NC[C@]12CCC[C@H]1C[N@H+](C1c3ccccc3-c3ccccc31)C2 ZINC000324385597 1013254892 /nfs/dbraw/zinc/25/48/92/1013254892.db2.gz ZVMZTGMDLOHARV-BTYIYWSLSA-N 1 3 304.437 3.817 20 0 DHADHO COc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000076446291 1013319111 /nfs/dbraw/zinc/31/91/11/1013319111.db2.gz WXTMRIOZBHLDRX-MJGOQNOKSA-N 1 3 324.468 3.868 20 0 DHADHO COc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076446291 1013319123 /nfs/dbraw/zinc/31/91/23/1013319123.db2.gz WXTMRIOZBHLDRX-MJGOQNOKSA-N 1 3 324.468 3.868 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000894454937 1013371773 /nfs/dbraw/zinc/37/17/73/1013371773.db2.gz CPCFZQUBOFPPCR-HLIUYOAVSA-N 1 3 308.416 3.531 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCOC(C)(C)C3)CC2)C1 ZINC000119378010 1013374158 /nfs/dbraw/zinc/37/41/58/1013374158.db2.gz VFRDCYFHEPZCGH-KBAYOESNSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cc2ccnc(Cl)c2s1 ZINC000894782598 1013490012 /nfs/dbraw/zinc/49/00/12/1013490012.db2.gz MGIHXSHMNQKTPF-SMDDNHRTSA-N 1 3 323.893 3.722 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc2ccnc(Cl)c2s1 ZINC000894782598 1013490016 /nfs/dbraw/zinc/49/00/16/1013490016.db2.gz MGIHXSHMNQKTPF-SMDDNHRTSA-N 1 3 323.893 3.722 20 0 DHADHO CC[C@H](OCCN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623558805 1017110386 /nfs/dbraw/zinc/11/03/86/1017110386.db2.gz JOPDUASCNYTHBK-MSOLQXFVSA-N 1 3 304.478 3.617 20 0 DHADHO CC[C@H](OCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623558805 1017110396 /nfs/dbraw/zinc/11/03/96/1017110396.db2.gz JOPDUASCNYTHBK-MSOLQXFVSA-N 1 3 304.478 3.617 20 0 DHADHO c1ccc(C[C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167995760 1013793926 /nfs/dbraw/zinc/79/39/26/1013793926.db2.gz PWXSIGIQGGNQCM-CCDCCJRHSA-N 1 3 324.512 3.956 20 0 DHADHO c1ccc(C[C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167995760 1013793930 /nfs/dbraw/zinc/79/39/30/1013793930.db2.gz PWXSIGIQGGNQCM-CCDCCJRHSA-N 1 3 324.512 3.956 20 0 DHADHO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(Cl)c1 ZINC000655942666 1013839410 /nfs/dbraw/zinc/83/94/10/1013839410.db2.gz WXKXGRLSONURIC-JQHSSLGASA-N 1 3 322.880 3.509 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000656200611 1014105825 /nfs/dbraw/zinc/10/58/25/1014105825.db2.gz BGXAAWZWVCIGRP-NEPJUHHUSA-N 1 3 311.420 3.713 20 0 DHADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000125561030 1014124634 /nfs/dbraw/zinc/12/46/34/1014124634.db2.gz ASTPOBIJNXUXNQ-CQSZACIVSA-N 1 3 318.461 3.938 20 0 DHADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000125561030 1014124640 /nfs/dbraw/zinc/12/46/40/1014124640.db2.gz ASTPOBIJNXUXNQ-CQSZACIVSA-N 1 3 318.461 3.938 20 0 DHADHO CC[N@H+](CCCN1CCCC1)Cc1ccc2nc(C)ccc2c1 ZINC000349341403 1014275964 /nfs/dbraw/zinc/27/59/64/1014275964.db2.gz BMAANWRITNCKSL-UHFFFAOYSA-N 1 3 311.473 3.851 20 0 DHADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc2nc(C)ccc2c1 ZINC000349341403 1014275971 /nfs/dbraw/zinc/27/59/71/1014275971.db2.gz BMAANWRITNCKSL-UHFFFAOYSA-N 1 3 311.473 3.851 20 0 DHADHO C[C@@H](N)c1nccn1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005598 1014405398 /nfs/dbraw/zinc/40/53/98/1014405398.db2.gz KCIYLWSBDZISRG-KYHPRHEASA-N 1 3 312.461 3.517 20 0 DHADHO C[C@@H](N)c1nccn1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005598 1014405405 /nfs/dbraw/zinc/40/54/05/1014405405.db2.gz KCIYLWSBDZISRG-KYHPRHEASA-N 1 3 312.461 3.517 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC000665239009 1014511657 /nfs/dbraw/zinc/51/16/57/1014511657.db2.gz KBIVJLLBHJYRBD-NJSLBKSFSA-N 1 3 303.494 3.962 20 0 DHADHO CC[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000665234506 1014506415 /nfs/dbraw/zinc/50/64/15/1014506415.db2.gz DZVKPBWAAQAVDO-DYVFJYSZSA-N 1 3 315.436 3.660 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCCc2ccnc3ccccc23)c2ccccc21 ZINC000665238850 1014513491 /nfs/dbraw/zinc/51/34/91/1014513491.db2.gz FZXTWFGKBCVLJM-AZUAARDMSA-N 1 3 303.409 3.512 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1nsc2ccccc12 ZINC000665275016 1014637840 /nfs/dbraw/zinc/63/78/40/1014637840.db2.gz ASDYTWGHGLYGOW-HUUCEWRRSA-N 1 3 317.502 3.739 20 0 DHADHO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116547 1014649209 /nfs/dbraw/zinc/64/92/09/1014649209.db2.gz PJDDYLPOHOFYBJ-CZUORRHYSA-N 1 3 307.507 3.573 20 0 DHADHO C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116547 1014649214 /nfs/dbraw/zinc/64/92/14/1014649214.db2.gz PJDDYLPOHOFYBJ-CZUORRHYSA-N 1 3 307.507 3.573 20 0 DHADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000665282425 1014680414 /nfs/dbraw/zinc/68/04/14/1014680414.db2.gz XZMKDOWSDVIKMJ-SWLSCSKDSA-N 1 3 302.384 3.599 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCC3(CCCCC3)O2)[C@H](C)C1 ZINC000190995837 1014676950 /nfs/dbraw/zinc/67/69/50/1014676950.db2.gz YAJYHJHOCPPNOF-SQNIBIBYSA-N 1 3 308.510 3.530 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCC3(CCCCC3)O2)[C@H](C)C1 ZINC000190995837 1014676955 /nfs/dbraw/zinc/67/69/55/1014676955.db2.gz YAJYHJHOCPPNOF-SQNIBIBYSA-N 1 3 308.510 3.530 20 0 DHADHO C[NH+]1CCC([C@H]2CCN(Cc3cc(F)cc(Cl)c3)C2)CC1 ZINC000521317693 1014685605 /nfs/dbraw/zinc/68/56/05/1014685605.db2.gz SZMGUVOVWFEDPF-HNNXBMFYSA-N 1 3 310.844 3.643 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000665301130 1014776188 /nfs/dbraw/zinc/77/61/88/1014776188.db2.gz OYPUBOXNQSFLCK-VFNWGFHPSA-N 1 3 323.484 3.867 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000442989688 1014787955 /nfs/dbraw/zinc/78/79/55/1014787955.db2.gz ITOZYPQFYPTCLN-HZPDHXFCSA-N 1 3 314.395 3.976 20 0 DHADHO C[C@@H](CN(C)CCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000522034913 1014866162 /nfs/dbraw/zinc/86/61/62/1014866162.db2.gz HCXSQFNIUWOPDC-ZDUSSCGKSA-N 1 3 302.384 3.692 20 0 DHADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(Br)s1 ZINC000443318896 1014868589 /nfs/dbraw/zinc/86/85/89/1014868589.db2.gz KKCCPHYMOQXRKW-MNOVXSKESA-N 1 3 317.296 3.646 20 0 DHADHO CCCc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000443677654 1015105731 /nfs/dbraw/zinc/10/57/31/1015105731.db2.gz YNGWZDPXMANNIG-IAGOWNOFSA-N 1 3 309.457 3.648 20 0 DHADHO CCCc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000443677654 1015105735 /nfs/dbraw/zinc/10/57/35/1015105735.db2.gz YNGWZDPXMANNIG-IAGOWNOFSA-N 1 3 309.457 3.648 20 0 DHADHO NC[C@H]1CCC[C@@H]1[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000033829382 1015153132 /nfs/dbraw/zinc/15/31/32/1015153132.db2.gz KGINNJCVISGZNG-CTNGQTDRSA-N 1 3 308.469 3.926 20 0 DHADHO CCC1(N2CCC2)CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000895827914 1015312642 /nfs/dbraw/zinc/31/26/42/1015312642.db2.gz OWUSIXYILBJHMF-KRWDZBQOSA-N 1 3 314.473 3.503 20 0 DHADHO CCC1(N2CCC2)CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000895827915 1015313147 /nfs/dbraw/zinc/31/31/47/1015313147.db2.gz OWUSIXYILBJHMF-QGZVFWFLSA-N 1 3 314.473 3.503 20 0 DHADHO CC(C)[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000474404905 1015330150 /nfs/dbraw/zinc/33/01/50/1015330150.db2.gz ZNPGLYGRIQFNCI-HSALFYBXSA-N 1 3 300.490 3.842 20 0 DHADHO CC(C)[C@H](C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000474404905 1015330154 /nfs/dbraw/zinc/33/01/54/1015330154.db2.gz ZNPGLYGRIQFNCI-HSALFYBXSA-N 1 3 300.490 3.842 20 0 DHADHO CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1OC ZINC000341435412 1015372547 /nfs/dbraw/zinc/37/25/47/1015372547.db2.gz RGFJHPZQFJQGPG-DOTOQJQBSA-N 1 3 320.477 3.619 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474891619 1015689682 /nfs/dbraw/zinc/68/96/82/1015689682.db2.gz YUUAXOGIDLWWHN-HZSPNIEDSA-N 1 3 312.910 3.969 20 0 DHADHO Cc1ccc([C@H](N[C@H](C)C2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000684557813 1015737073 /nfs/dbraw/zinc/73/70/73/1015737073.db2.gz JDXQZHVATBMXRC-UTKZUKDTSA-N 1 3 323.484 3.799 20 0 DHADHO CC1CCN(CCC[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657294119 1016210958 /nfs/dbraw/zinc/21/09/58/1016210958.db2.gz FBZOWTAYJOBEDX-UHFFFAOYSA-N 1 3 303.475 3.508 20 0 DHADHO C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c([O-])ccc3ccccc32)C1 ZINC000074721909 1016295430 /nfs/dbraw/zinc/29/54/30/1016295430.db2.gz XVJVQNYWXHBXKJ-QGZVFWFLSA-N 1 3 324.468 3.709 20 0 DHADHO C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c([O-])ccc3ccccc32)C1 ZINC000074721909 1016295432 /nfs/dbraw/zinc/29/54/32/1016295432.db2.gz XVJVQNYWXHBXKJ-QGZVFWFLSA-N 1 3 324.468 3.709 20 0 DHADHO C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000074721909 1016295441 /nfs/dbraw/zinc/29/54/41/1016295441.db2.gz XVJVQNYWXHBXKJ-QGZVFWFLSA-N 1 3 324.468 3.709 20 0 DHADHO C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000074721909 1016295449 /nfs/dbraw/zinc/29/54/49/1016295449.db2.gz XVJVQNYWXHBXKJ-QGZVFWFLSA-N 1 3 324.468 3.709 20 0 DHADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346632680 1016489761 /nfs/dbraw/zinc/48/97/61/1016489761.db2.gz DMQSMSMIDIXKPF-QWHCGFSZSA-N 1 3 304.434 3.723 20 0 DHADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346632678 1016490481 /nfs/dbraw/zinc/49/04/81/1016490481.db2.gz DMQSMSMIDIXKPF-CHWSQXEVSA-N 1 3 304.434 3.723 20 0 DHADHO CN(C)CC(C)(C)C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC001207285475 1016579141 /nfs/dbraw/zinc/57/91/41/1016579141.db2.gz LMHPDEZDRUHXTE-UHFFFAOYSA-N 1 3 324.896 3.771 20 0 DHADHO CC[N@@H+](C/C=C\c1ccc(F)c(F)c1)CCCN1CCCC1 ZINC000582328162 1016587570 /nfs/dbraw/zinc/58/75/70/1016587570.db2.gz OBSDDBGLHBZIDZ-ALCCZGGFSA-N 1 3 308.416 3.786 20 0 DHADHO CC[N@H+](C/C=C\c1ccc(F)c(F)c1)CCCN1CCCC1 ZINC000582328162 1016587584 /nfs/dbraw/zinc/58/75/84/1016587584.db2.gz OBSDDBGLHBZIDZ-ALCCZGGFSA-N 1 3 308.416 3.786 20 0 DHADHO CC[NH2+]CC1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000347028665 1016699538 /nfs/dbraw/zinc/69/95/38/1016699538.db2.gz VSHRCOBTABVBJC-UHFFFAOYSA-N 1 3 321.515 3.693 20 0 DHADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cc(-c3ccccc3)cs2)C1 ZINC000347056554 1016710177 /nfs/dbraw/zinc/71/01/77/1016710177.db2.gz VLKVOCDNYOFWDF-GOEBONIOSA-N 1 3 300.471 3.974 20 0 DHADHO CCN(CC)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623356916 1016987500 /nfs/dbraw/zinc/98/75/00/1016987500.db2.gz OKYZEXIUIDCTDV-SJORKVTESA-N 1 3 323.550 3.593 20 0 DHADHO CCN(CC)[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623356916 1016987508 /nfs/dbraw/zinc/98/75/08/1016987508.db2.gz OKYZEXIUIDCTDV-SJORKVTESA-N 1 3 323.550 3.593 20 0 DHADHO CSc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000294950129 1032223680 /nfs/dbraw/zinc/22/36/80/1032223680.db2.gz HNBNMVSREHQVFC-PRTUASRFSA-N 1 3 308.466 3.823 20 0 DHADHO CCCOc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000192838237 1017073900 /nfs/dbraw/zinc/07/39/00/1017073900.db2.gz QKCDMRZUIUUJEF-OAHLLOKOSA-N 1 3 302.462 3.753 20 0 DHADHO NCCC[N@H+]([C@@H]1Cc2ccc(Cl)cc2C1)C1CCCCC1 ZINC001172709399 1033345140 /nfs/dbraw/zinc/34/51/40/1033345140.db2.gz ZGYHJNPMFAPTNP-GOSISDBHSA-N 1 3 306.881 3.791 20 0 DHADHO NCCC[N@@H+]([C@@H]1Cc2ccc(Cl)cc2C1)C1CCCCC1 ZINC001172709399 1033345154 /nfs/dbraw/zinc/34/51/54/1033345154.db2.gz ZGYHJNPMFAPTNP-GOSISDBHSA-N 1 3 306.881 3.791 20 0 DHADHO CN(Cc1cccc(-c2ccncc2)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253695 1032484580 /nfs/dbraw/zinc/48/45/80/1032484580.db2.gz HACNWULBVZJVOO-GOSISDBHSA-N 1 3 309.457 3.522 20 0 DHADHO CN(Cc1cccc(-c2ccncc2)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253695 1032484585 /nfs/dbraw/zinc/48/45/85/1032484585.db2.gz HACNWULBVZJVOO-GOSISDBHSA-N 1 3 309.457 3.522 20 0 DHADHO CN(Cc1cccc(-c2ccncc2)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253694 1032486017 /nfs/dbraw/zinc/48/60/17/1032486017.db2.gz HACNWULBVZJVOO-SFHVURJKSA-N 1 3 309.457 3.522 20 0 DHADHO CN(Cc1cccc(-c2ccncc2)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253694 1032486021 /nfs/dbraw/zinc/48/60/21/1032486021.db2.gz HACNWULBVZJVOO-SFHVURJKSA-N 1 3 309.457 3.522 20 0 DHADHO C[C@H]1Cc2ccccc2[C@H]1NCc1ccccc1OCC[NH+](C)C ZINC000122321518 1032533808 /nfs/dbraw/zinc/53/38/08/1032533808.db2.gz YSNDGQHUZZPFKL-KKSFZXQISA-N 1 3 324.468 3.650 20 0 DHADHO Clc1ccc(C2CC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997020 1032628475 /nfs/dbraw/zinc/62/84/75/1032628475.db2.gz WOYHNJQUBWGFPM-DQVOVIAYSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccc(C2CC(N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997020 1032628489 /nfs/dbraw/zinc/62/84/89/1032628489.db2.gz WOYHNJQUBWGFPM-DQVOVIAYSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167960812 1012745813 /nfs/dbraw/zinc/74/58/13/1012745813.db2.gz DQPQALWQPWFNFK-YQQQUEKLSA-N 1 3 318.892 3.878 20 0 DHADHO Clc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167960812 1012745828 /nfs/dbraw/zinc/74/58/28/1012745828.db2.gz DQPQALWQPWFNFK-YQQQUEKLSA-N 1 3 318.892 3.878 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc(COCc3ccccc3)c2)C1 ZINC000516877772 1012856130 /nfs/dbraw/zinc/85/61/30/1012856130.db2.gz LZNDKGGKMJUWMF-LEWJYISDSA-N 1 3 324.468 3.763 20 0 DHADHO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425941597 1012984205 /nfs/dbraw/zinc/98/42/05/1012984205.db2.gz CBDNLEDEVQUAJF-KGLIPLIRSA-N 1 3 317.502 3.967 20 0 DHADHO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1Cl ZINC000425945890 1012991948 /nfs/dbraw/zinc/99/19/48/1012991948.db2.gz MNYKEHPCMDEADM-KBPBESRZSA-N 1 3 312.885 3.976 20 0 DHADHO FC1(F)C[C@@H]1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716635415 1032698065 /nfs/dbraw/zinc/69/80/65/1032698065.db2.gz FSLJDPPWNJMEBJ-XSLAGTTESA-N 1 3 320.427 3.674 20 0 DHADHO C[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1(F)F ZINC000716731676 1032706292 /nfs/dbraw/zinc/70/62/92/1032706292.db2.gz MFLAZAWFWCLGOY-XWTMOSNGSA-N 1 3 320.427 3.674 20 0 DHADHO Cc1cc(C)cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657612335 1017571611 /nfs/dbraw/zinc/57/16/11/1017571611.db2.gz MPSBDJPFVUVDGH-UHFFFAOYSA-N 1 3 323.484 3.700 20 0 DHADHO CC(C)C(C[NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)C ZINC000657613851 1017582462 /nfs/dbraw/zinc/58/24/62/1017582462.db2.gz UEUYNQXDEOBZBN-UHFFFAOYSA-N 1 3 317.521 3.811 20 0 DHADHO CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624119693 1017691229 /nfs/dbraw/zinc/69/12/29/1017691229.db2.gz HGLUCZKRVMLQFH-DLBZAZTESA-N 1 3 304.478 3.858 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(OC(F)F)cc1 ZINC000624120458 1017691324 /nfs/dbraw/zinc/69/13/24/1017691324.db2.gz ZNCHVWLLTTYABJ-ZIAGYGMSSA-N 1 3 312.404 3.671 20 0 DHADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(Br)cc1 ZINC000181133264 1017726105 /nfs/dbraw/zinc/72/61/05/1017726105.db2.gz CJZZCIOPVLPDQJ-DOMZBBRYSA-N 1 3 311.267 3.584 20 0 DHADHO CCOC1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000091678370 1017987993 /nfs/dbraw/zinc/98/79/93/1017987993.db2.gz JOPYSWMGHLOCCQ-UHFFFAOYSA-N 1 3 318.505 3.646 20 0 DHADHO CCOC1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000091678370 1017987998 /nfs/dbraw/zinc/98/79/98/1017987998.db2.gz JOPYSWMGHLOCCQ-UHFFFAOYSA-N 1 3 318.505 3.646 20 0 DHADHO CCN(CCC[NH+](C)C)[C@H](C)Cc1ccc(F)cc1Cl ZINC001172873212 1033444742 /nfs/dbraw/zinc/44/47/42/1033444742.db2.gz ROWIXRNIRQCYEV-CYBMUJFWSA-N 1 3 300.849 3.684 20 0 DHADHO CC[N@@H+](Cc1ccc(C)cn1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000154181117 1018128829 /nfs/dbraw/zinc/12/88/29/1018128829.db2.gz OOFMSPAZOKHUER-HXUWFJFHSA-N 1 3 323.484 3.734 20 0 DHADHO CC[N@H+](Cc1ccc(C)cn1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000154181117 1018128837 /nfs/dbraw/zinc/12/88/37/1018128837.db2.gz OOFMSPAZOKHUER-HXUWFJFHSA-N 1 3 323.484 3.734 20 0 DHADHO CC(C)C[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccncc1 ZINC000647282055 1018234796 /nfs/dbraw/zinc/23/47/96/1018234796.db2.gz WHXVMGPJFBNVNP-LJQANCHMSA-N 1 3 303.494 3.879 20 0 DHADHO C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2)c1)CN(C)C ZINC000394441227 1018276535 /nfs/dbraw/zinc/27/65/35/1018276535.db2.gz NCWNOYXHYFJTLW-KRWDZBQOSA-N 1 3 312.457 3.553 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381987223 1018294564 /nfs/dbraw/zinc/29/45/64/1018294564.db2.gz XBHAZCRTLCXWBN-SZMVWBNQSA-N 1 3 322.443 3.922 20 0 DHADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1cc2n(n1)CCCC2 ZINC000647288824 1018406931 /nfs/dbraw/zinc/40/69/31/1018406931.db2.gz QKYZBTTZPULCNF-KRWDZBQOSA-N 1 3 318.509 3.526 20 0 DHADHO Clc1cccc2c1CC[C@@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635009660 1018511652 /nfs/dbraw/zinc/51/16/52/1018511652.db2.gz JTHWLWMKZLNHSM-IBGZPJMESA-N 1 3 312.844 3.763 20 0 DHADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1cnc2ccsc2c1 ZINC000635010826 1018511751 /nfs/dbraw/zinc/51/17/51/1018511751.db2.gz NBELXYMTKHAVMN-ZDUSSCGKSA-N 1 3 323.465 3.793 20 0 DHADHO Cc1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1Cl ZINC000650723120 1018577456 /nfs/dbraw/zinc/57/74/56/1018577456.db2.gz HRJAWUGWUKHBGR-KBAYOESNSA-N 1 3 322.880 3.509 20 0 DHADHO Cc1cccc2c1CC[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C2 ZINC001171553447 1032775047 /nfs/dbraw/zinc/77/50/47/1032775047.db2.gz QSACIDGIMNMLKJ-IEBWSBKVSA-N 1 3 300.490 3.706 20 0 DHADHO CCC[C@H](NC[C@@H]1CC[N@H+](CCC)C1)c1ccc(OC)cc1 ZINC000151100636 1018625186 /nfs/dbraw/zinc/62/51/86/1018625186.db2.gz JEOYTVJKLXKBRN-LPHOPBHVSA-N 1 3 304.478 3.858 20 0 DHADHO CCC[C@H](NC[C@@H]1CC[N@@H+](CCC)C1)c1ccc(OC)cc1 ZINC000151100636 1018625192 /nfs/dbraw/zinc/62/51/92/1018625192.db2.gz JEOYTVJKLXKBRN-LPHOPBHVSA-N 1 3 304.478 3.858 20 0 DHADHO CCCCOc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001168356297 1032777017 /nfs/dbraw/zinc/77/70/17/1032777017.db2.gz NZBFGUHFMXNUBY-UHFFFAOYSA-N 1 3 316.489 3.830 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000765404339 1018777464 /nfs/dbraw/zinc/77/74/64/1018777464.db2.gz DCQFRAVJBDFWGH-PXTPFGJHSA-N 1 3 322.537 3.824 20 0 DHADHO CCC[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000132736290 1018835997 /nfs/dbraw/zinc/83/59/97/1018835997.db2.gz NPRBYBWPIHNJJH-PXNSSMCTSA-N 1 3 316.489 3.618 20 0 DHADHO COc1c(C)cc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cc1Cl ZINC000796664365 1018851082 /nfs/dbraw/zinc/85/10/82/1018851082.db2.gz WFJQWDAUTASFQX-CYBMUJFWSA-N 1 3 312.885 3.895 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168692678 1019061635 /nfs/dbraw/zinc/06/16/35/1019061635.db2.gz RWDCJPAUCYOVHC-GDBMZVCRSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168692678 1019061652 /nfs/dbraw/zinc/06/16/52/1019061652.db2.gz RWDCJPAUCYOVHC-GDBMZVCRSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168692678 1019061667 /nfs/dbraw/zinc/06/16/67/1019061667.db2.gz RWDCJPAUCYOVHC-GDBMZVCRSA-N 1 3 306.881 3.661 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@H](CO)CC2CCCCC2)CC1(C)C ZINC001171623239 1032808648 /nfs/dbraw/zinc/80/86/48/1032808648.db2.gz PYJIDSRJJQBMHG-INIZCTEOSA-N 1 3 310.526 3.559 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657843114 1019128056 /nfs/dbraw/zinc/12/80/56/1019128056.db2.gz FACGVYANTZIALI-KGLIPLIRSA-N 1 3 303.475 3.679 20 0 DHADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657843114 1019128061 /nfs/dbraw/zinc/12/80/61/1019128061.db2.gz FACGVYANTZIALI-KGLIPLIRSA-N 1 3 303.475 3.679 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657843114 1019128069 /nfs/dbraw/zinc/12/80/69/1019128069.db2.gz FACGVYANTZIALI-KGLIPLIRSA-N 1 3 303.475 3.679 20 0 DHADHO COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)c(C)c1OC ZINC000347679332 1019288677 /nfs/dbraw/zinc/28/86/77/1019288677.db2.gz NLOMGNBZXQYJCY-HOTGVXAUSA-N 1 3 320.477 3.537 20 0 DHADHO CCCN1C[C@@H]2C[NH+]([C@@H](C)CCc3ccc(C)cc3)C[C@H]2C1 ZINC001171682441 1032834433 /nfs/dbraw/zinc/83/44/33/1032834433.db2.gz VPTCSQYTOCWIAX-DFQSSKMNSA-N 1 3 300.490 3.590 20 0 DHADHO C[C@@H](c1cccnc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079879877 1019785411 /nfs/dbraw/zinc/78/54/11/1019785411.db2.gz CZJDDLHGPKJSMB-KRWDZBQOSA-N 1 3 301.478 3.731 20 0 DHADHO C[C@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000858357981 1032859840 /nfs/dbraw/zinc/85/98/40/1032859840.db2.gz LLJGZTXJUTZFRQ-QFBILLFUSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000858357981 1032859856 /nfs/dbraw/zinc/85/98/56/1032859856.db2.gz LLJGZTXJUTZFRQ-QFBILLFUSA-N 1 3 308.510 3.578 20 0 DHADHO CCSc1ccccc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922709195 1020226099 /nfs/dbraw/zinc/22/60/99/1020226099.db2.gz KKLOHALJESVLGQ-IAGOWNOFSA-N 1 3 304.503 3.558 20 0 DHADHO CCSc1ccccc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922709195 1020226103 /nfs/dbraw/zinc/22/61/03/1020226103.db2.gz KKLOHALJESVLGQ-IAGOWNOFSA-N 1 3 304.503 3.558 20 0 DHADHO c1ccc2c(c1)[nH]c1c2C[C@@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000658229056 1020237181 /nfs/dbraw/zinc/23/71/81/1020237181.db2.gz OKNQWPHMMQDUMQ-JKSUJKDBSA-N 1 3 323.484 3.632 20 0 DHADHO c1ccc2c(c1)[nH]c1c2C[C@@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000658229056 1020237189 /nfs/dbraw/zinc/23/71/89/1020237189.db2.gz OKNQWPHMMQDUMQ-JKSUJKDBSA-N 1 3 323.484 3.632 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2C(C)(C)C2(F)F)CC1 ZINC000658281226 1020275222 /nfs/dbraw/zinc/27/52/22/1020275222.db2.gz OEDKSQJVJJCAFN-BMFZPTHFSA-N 1 3 314.464 3.910 20 0 DHADHO COc1cccc(C2([NH2+]C3CCN(C(C)(C)C)CC3)CCC2)c1 ZINC000658323491 1020303637 /nfs/dbraw/zinc/30/36/37/1020303637.db2.gz MKYWTELXAZGGPL-UHFFFAOYSA-N 1 3 316.489 3.927 20 0 DHADHO C[N@@H+]1CC[C@H](NCC2(C(F)(F)F)CC2)C[C@H]1c1ccccc1 ZINC000340395075 1020407097 /nfs/dbraw/zinc/40/70/97/1020407097.db2.gz UHADBUGVJDQCEF-GJZGRUSLSA-N 1 3 312.379 3.754 20 0 DHADHO C[N@H+]1CC[C@H](NCC2(C(F)(F)F)CC2)C[C@H]1c1ccccc1 ZINC000340395075 1020407106 /nfs/dbraw/zinc/40/71/06/1020407106.db2.gz UHADBUGVJDQCEF-GJZGRUSLSA-N 1 3 312.379 3.754 20 0 DHADHO CN1CCC[C@@H](C[N@H+](C)Cc2ccc(SC(F)F)cc2)C1 ZINC000735871021 1020772748 /nfs/dbraw/zinc/77/27/48/1020772748.db2.gz UTTUHRSWDDPBMX-CQSZACIVSA-N 1 3 314.445 3.775 20 0 DHADHO CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(SC(F)F)cc2)C1 ZINC000735871021 1020772754 /nfs/dbraw/zinc/77/27/54/1020772754.db2.gz UTTUHRSWDDPBMX-CQSZACIVSA-N 1 3 314.445 3.775 20 0 DHADHO Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000537881819 1032936371 /nfs/dbraw/zinc/93/63/71/1032936371.db2.gz BCBOMBWBKFCQTB-AZUAARDMSA-N 1 3 323.484 3.605 20 0 DHADHO CCCCN1CCC([NH2+][C@H]2CCc3ccc(OC)cc32)CC1 ZINC000173231550 1020904856 /nfs/dbraw/zinc/90/48/56/1020904856.db2.gz FFLYLCXKODLINZ-IBGZPJMESA-N 1 3 302.462 3.537 20 0 DHADHO C[C@H](NCC1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414123667 1020915710 /nfs/dbraw/zinc/91/57/10/1020915710.db2.gz OUTGSFRDNPOJSZ-AWEZNQCLSA-N 1 3 315.486 3.803 20 0 DHADHO CCCC[N@H+](C)CC1CCN(CCOc2ccccc2F)CC1 ZINC000613492888 1020999272 /nfs/dbraw/zinc/99/92/72/1020999272.db2.gz QOGLBMZNROHYHH-UHFFFAOYSA-N 1 3 322.468 3.648 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(CCOc2ccccc2F)CC1 ZINC000613492888 1020999280 /nfs/dbraw/zinc/99/92/80/1020999280.db2.gz QOGLBMZNROHYHH-UHFFFAOYSA-N 1 3 322.468 3.648 20 0 DHADHO CC1(C)C[C@H](NCCc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000716334261 1021011662 /nfs/dbraw/zinc/01/16/62/1021011662.db2.gz JFVJWZGQJKORPP-GFCCVEGCSA-N 1 3 301.261 3.656 20 0 DHADHO CC1(C)C[C@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)CCN1 ZINC000716334261 1021011665 /nfs/dbraw/zinc/01/16/65/1021011665.db2.gz JFVJWZGQJKORPP-GFCCVEGCSA-N 1 3 301.261 3.656 20 0 DHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)OCC3CC3)CC2)C1 ZINC000414269503 1021047404 /nfs/dbraw/zinc/04/74/04/1021047404.db2.gz OPBXFGHWLNPWNI-QFBILLFUSA-N 1 3 322.537 3.824 20 0 DHADHO Cc1nc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)sc1C ZINC000892590852 1021051194 /nfs/dbraw/zinc/05/11/94/1021051194.db2.gz YCNYSFQIBYEYHK-KBPBESRZSA-N 1 3 309.523 3.608 20 0 DHADHO C[C@H](N[C@@H]1CCCC[C@H]1F)c1cccc(OCC[NH+](C)C)c1 ZINC000414291357 1021063431 /nfs/dbraw/zinc/06/34/31/1021063431.db2.gz UEMXCSBPGIDWCC-BMGDILEWSA-N 1 3 308.441 3.558 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000414292804 1021065756 /nfs/dbraw/zinc/06/57/56/1021065756.db2.gz VJEVIBJCEJHSLW-QXCFHYIPSA-N 1 3 304.453 3.767 20 0 DHADHO Cc1ccc(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)nc1 ZINC000134416855 1021155682 /nfs/dbraw/zinc/15/56/82/1021155682.db2.gz DKKPALFRLLDKCU-QZTJIDSGSA-N 1 3 323.484 3.636 20 0 DHADHO Cc1cc2c(cc1C)[C@@H](NC[C@H]1CCC[N@@H+](C)C1)CCS2 ZINC000187187928 1021170189 /nfs/dbraw/zinc/17/01/89/1021170189.db2.gz WZISUMPQUATZME-WBVHZDCISA-N 1 3 304.503 3.772 20 0 DHADHO Cc1cc2c(cc1C)[C@@H](NC[C@H]1CCC[N@H+](C)C1)CCS2 ZINC000187187928 1021170193 /nfs/dbraw/zinc/17/01/93/1021170193.db2.gz WZISUMPQUATZME-WBVHZDCISA-N 1 3 304.503 3.772 20 0 DHADHO c1cc(CN2CCC(C[NH2+]C3CCCCCCC3)CC2)ccn1 ZINC000850362374 1021488172 /nfs/dbraw/zinc/48/81/72/1021488172.db2.gz MGZBAUUSSCINOF-UHFFFAOYSA-N 1 3 315.505 3.996 20 0 DHADHO CCOC1CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000850430522 1021527824 /nfs/dbraw/zinc/52/78/24/1021527824.db2.gz MBWVBHWJDQAFQL-UHFFFAOYSA-N 1 3 322.537 3.968 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850433797 1021530281 /nfs/dbraw/zinc/53/02/81/1021530281.db2.gz QMUALWJLSOTFLZ-IAGOWNOFSA-N 1 3 316.489 3.783 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850433798 1021531547 /nfs/dbraw/zinc/53/15/47/1021531547.db2.gz QMUALWJLSOTFLZ-IRXDYDNUSA-N 1 3 316.489 3.783 20 0 DHADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2cccnc2)C3)cc1 ZINC001172063788 1032988082 /nfs/dbraw/zinc/98/80/82/1032988082.db2.gz CQYOHOUQNKXAHD-MZADTFQBSA-N 1 3 321.468 3.757 20 0 DHADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123220 1021557912 /nfs/dbraw/zinc/55/79/12/1021557912.db2.gz IFEYKCDUHCIXNB-KBPBESRZSA-N 1 3 312.860 3.732 20 0 DHADHO C[C@@H](CC(C)(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850514908 1021573592 /nfs/dbraw/zinc/57/35/92/1021573592.db2.gz RVLXSUGZNZLUMT-INIZCTEOSA-N 1 3 303.494 3.708 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3cc(Cl)ccc3C1)C2 ZINC001172128890 1033000678 /nfs/dbraw/zinc/00/06/78/1033000678.db2.gz VHXAWAHFGYLESW-BCDXTJNWSA-N 1 3 304.865 3.713 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3cc(Cl)ccc3C1)C2 ZINC001172128890 1033000690 /nfs/dbraw/zinc/00/06/90/1033000690.db2.gz VHXAWAHFGYLESW-BCDXTJNWSA-N 1 3 304.865 3.713 20 0 DHADHO CC(C)O[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000638383554 1021688273 /nfs/dbraw/zinc/68/82/73/1021688273.db2.gz JQIHUUMRFRSWFD-HXUWFJFHSA-N 1 3 316.489 3.617 20 0 DHADHO FCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172069782 1032997136 /nfs/dbraw/zinc/99/71/36/1032997136.db2.gz XFRVDYYFIFYBAK-NNZMDNLPSA-N 1 3 302.437 3.664 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3c1cccc3Cl)C2 ZINC001172104413 1033007233 /nfs/dbraw/zinc/00/72/33/1033007233.db2.gz CKHGKVKXXFVLCN-ZUMXRPEOSA-N 1 3 304.865 3.932 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3c1cccc3Cl)C2 ZINC001172104413 1033007249 /nfs/dbraw/zinc/00/72/49/1033007249.db2.gz CKHGKVKXXFVLCN-ZUMXRPEOSA-N 1 3 304.865 3.932 20 0 DHADHO Cc1ccccc1C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C1CC1 ZINC000556584283 1021782282 /nfs/dbraw/zinc/78/22/82/1021782282.db2.gz SVDCZAXZPUAHAV-UFYCRDLUSA-N 1 3 300.490 3.779 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c(F)c1 ZINC001172109242 1033009408 /nfs/dbraw/zinc/00/94/08/1033009408.db2.gz IWHRFOLKVIAMFN-ZQDZILKHSA-N 1 3 306.425 3.500 20 0 DHADHO CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1Cl ZINC000556879022 1021921660 /nfs/dbraw/zinc/92/16/60/1021921660.db2.gz CXEVKPGOHXVEDE-USXIJHARSA-N 1 3 322.880 3.701 20 0 DHADHO CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1Cl ZINC000556879022 1021921663 /nfs/dbraw/zinc/92/16/63/1021921663.db2.gz CXEVKPGOHXVEDE-USXIJHARSA-N 1 3 322.880 3.701 20 0 DHADHO CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1Cl ZINC000556879022 1021921671 /nfs/dbraw/zinc/92/16/71/1021921671.db2.gz CXEVKPGOHXVEDE-USXIJHARSA-N 1 3 322.880 3.701 20 0 DHADHO C1CC1[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000655788374 1021937660 /nfs/dbraw/zinc/93/76/60/1021937660.db2.gz IBEIZIQCGIDKOS-VQTJNVASSA-N 1 3 320.521 3.721 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)c1cc(Cl)ccn1)C2 ZINC001172113243 1033018816 /nfs/dbraw/zinc/01/88/16/1033018816.db2.gz HUNPBSUHBYOMFV-QDMKHBRRSA-N 1 3 307.869 3.575 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccncc1Cl)C1CC1)C2 ZINC001172112386 1033019137 /nfs/dbraw/zinc/01/91/37/1033019137.db2.gz WHMONMHBAYHWLS-ZXFNITATSA-N 1 3 319.880 3.791 20 0 DHADHO COc1ccc([C@H](C)[NH2+]CCCF)cc1CN1CCCCC1 ZINC000183350204 1022115780 /nfs/dbraw/zinc/11/57/80/1022115780.db2.gz RTILWTUYAIUKPL-HNNXBMFYSA-N 1 3 308.441 3.691 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(CC)CC ZINC000766488845 1022125360 /nfs/dbraw/zinc/12/53/60/1022125360.db2.gz OWTPCVCNGCZPCL-RBUKOAKNSA-N 1 3 322.537 3.967 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)C2 ZINC001169101312 1022248132 /nfs/dbraw/zinc/24/81/32/1022248132.db2.gz RBOXVOIROXSBKY-RDGPPVDQSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)C2 ZINC001169101312 1022248138 /nfs/dbraw/zinc/24/81/38/1022248138.db2.gz RBOXVOIROXSBKY-RDGPPVDQSA-N 1 3 302.437 3.882 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3Cl)CCC1)C2 ZINC001169116272 1022258073 /nfs/dbraw/zinc/25/80/73/1022258073.db2.gz PMHJTZCXMOLIQG-QDMKHBRRSA-N 1 3 304.865 3.934 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C)Cc1cccc(C(F)(F)F)c1)C2 ZINC001169139376 1022267554 /nfs/dbraw/zinc/26/75/54/1022267554.db2.gz BKUHGLIFHDOVEM-ZSHCYNCHSA-N 1 3 312.379 3.762 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)Cc1cccc(C(F)(F)F)c1)C2 ZINC001169139376 1022267563 /nfs/dbraw/zinc/26/75/63/1022267563.db2.gz BKUHGLIFHDOVEM-ZSHCYNCHSA-N 1 3 312.379 3.762 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)C2CC2)ccc1OC ZINC000182231067 1022272089 /nfs/dbraw/zinc/27/20/89/1022272089.db2.gz PSYGHDOPIMFKEK-GJZGRUSLSA-N 1 3 304.478 3.986 20 0 DHADHO CC[NH+]1CCC(n2c3ccccc3nc2[C@H](N)CC(C)C)CC1 ZINC001169232927 1022316356 /nfs/dbraw/zinc/31/63/56/1022316356.db2.gz INJXETHGJQFNBO-MRXNPFEDSA-N 1 3 314.477 3.739 20 0 DHADHO COc1ccc([C@@H](NCC2=CC[N@H+](C)CC2)c2ccccc2)cc1 ZINC000272682588 1022512598 /nfs/dbraw/zinc/51/25/98/1022512598.db2.gz VTYDDXXREXIJLB-NRFANRHFSA-N 1 3 322.452 3.636 20 0 DHADHO COc1ccc([C@@H](NCC2=CC[N@@H+](C)CC2)c2ccccc2)cc1 ZINC000272682588 1022512603 /nfs/dbraw/zinc/51/26/03/1022512603.db2.gz VTYDDXXREXIJLB-NRFANRHFSA-N 1 3 322.452 3.636 20 0 DHADHO CC[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C)cc1 ZINC000132795646 1033066542 /nfs/dbraw/zinc/06/65/42/1033066542.db2.gz WOAVHIZULMGZPI-YLJYHZDGSA-N 1 3 316.489 3.537 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000584807368 1022758733 /nfs/dbraw/zinc/75/87/33/1022758733.db2.gz VTOJVZBOMFLZQD-DILQNVEWSA-N 1 3 308.416 3.673 20 0 DHADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000584807369 1022760174 /nfs/dbraw/zinc/76/01/74/1022760174.db2.gz VTOJVZBOMFLZQD-JYXZGVCNSA-N 1 3 308.416 3.673 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CN[C@H](CC)c2ccc3c(c2)CCCO3)C1 ZINC000768096347 1022880789 /nfs/dbraw/zinc/88/07/89/1022880789.db2.gz JEJFBKLKJFQPNK-QFBILLFUSA-N 1 3 316.489 3.784 20 0 DHADHO CCC[N@H+]1CC[C@@H](CN[C@H](CC)c2ccc3c(c2)CCCO3)C1 ZINC000768096347 1022880803 /nfs/dbraw/zinc/88/08/03/1022880803.db2.gz JEJFBKLKJFQPNK-QFBILLFUSA-N 1 3 316.489 3.784 20 0 DHADHO c1ccc2c(c1)cncc2CN1CCC(C[NH+]2CCCC2)CC1 ZINC000768302637 1022943238 /nfs/dbraw/zinc/94/32/38/1022943238.db2.gz JGXCREPTHRNPKX-UHFFFAOYSA-N 1 3 309.457 3.543 20 0 DHADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000164806691 1022961734 /nfs/dbraw/zinc/96/17/34/1022961734.db2.gz BBOZXDYLMDXJNG-MDZRGWNJSA-N 1 3 316.489 3.826 20 0 DHADHO FC1(F)CCC(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925660589 1023005802 /nfs/dbraw/zinc/00/58/02/1023005802.db2.gz OJLUFVDJANFGHY-HOTGVXAUSA-N 1 3 300.437 3.570 20 0 DHADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c(OC(C)C)c1 ZINC000167693841 1023043329 /nfs/dbraw/zinc/04/33/29/1023043329.db2.gz JVWKFOJGAUNKJB-LZLYRXPVSA-N 1 3 304.478 3.601 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000249978013 1023067488 /nfs/dbraw/zinc/06/74/88/1023067488.db2.gz YHLALKJDDVPFLL-IHPCNDPISA-N 1 3 300.490 3.770 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000249978013 1023067501 /nfs/dbraw/zinc/06/75/01/1023067501.db2.gz YHLALKJDDVPFLL-IHPCNDPISA-N 1 3 300.490 3.770 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000193980426 1023145932 /nfs/dbraw/zinc/14/59/32/1023145932.db2.gz GYKLXTKKLSPNPL-WDEREUQCSA-N 1 3 317.296 3.503 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NC1CCC([NH+]2CCCCC2)CC1 ZINC000769868461 1023220950 /nfs/dbraw/zinc/22/09/50/1023220950.db2.gz AINNQLBOYUOMCK-ODIFPOPNSA-N 1 3 319.493 3.993 20 0 DHADHO CN1CC[C@]2(C1)CCC[N@H+](CCSc1cccc(Cl)c1)C2 ZINC000660661383 1023366780 /nfs/dbraw/zinc/36/67/80/1023366780.db2.gz DGAVSXIPPJUKJK-KRWDZBQOSA-N 1 3 324.921 3.850 20 0 DHADHO CN1CC[C@]2(C1)CCC[N@@H+](CCSc1cccc(Cl)c1)C2 ZINC000660661383 1023366787 /nfs/dbraw/zinc/36/67/87/1023366787.db2.gz DGAVSXIPPJUKJK-KRWDZBQOSA-N 1 3 324.921 3.850 20 0 DHADHO CC[C@H](C)OCC[C@@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001172349370 1033131880 /nfs/dbraw/zinc/13/18/80/1033131880.db2.gz LSLBVAYNZYGXLP-QYZOEREBSA-N 1 3 322.537 3.990 20 0 DHADHO COC[C@H](CC(C)(C)C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000651758705 1023520739 /nfs/dbraw/zinc/52/07/39/1023520739.db2.gz KZHGMTLVEXGAGG-IKGGRYGDSA-N 1 3 310.526 3.680 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cccc3c2OC(C)(C)C3)[C@H](C)C1 ZINC000538717383 1033142783 /nfs/dbraw/zinc/14/27/83/1033142783.db2.gz XNCSCBROGDHXDS-QAPCUYQASA-N 1 3 316.489 3.562 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)[C@H](C)C1 ZINC000538717383 1033142786 /nfs/dbraw/zinc/14/27/86/1033142786.db2.gz XNCSCBROGDHXDS-QAPCUYQASA-N 1 3 316.489 3.562 20 0 DHADHO CC(CN1CCC[C@H](CCF)C1)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661691296 1023689580 /nfs/dbraw/zinc/68/95/80/1023689580.db2.gz TWFWQAXNZPIEKI-QZTJIDSGSA-N 1 3 316.480 3.766 20 0 DHADHO CC(CN1CCC[C@H](CCF)C1)C[N@H+]1CCC[C@H](CCF)C1 ZINC000661691296 1023689585 /nfs/dbraw/zinc/68/95/85/1023689585.db2.gz TWFWQAXNZPIEKI-QZTJIDSGSA-N 1 3 316.480 3.766 20 0 DHADHO CC[C@H](CC(C)C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001172394047 1033178031 /nfs/dbraw/zinc/17/80/31/1033178031.db2.gz MYPINIOLGPJSDB-GOSISDBHSA-N 1 3 303.494 3.708 20 0 DHADHO C[C@@H](c1ccc(F)c(F)c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291129 1024070609 /nfs/dbraw/zinc/07/06/09/1024070609.db2.gz BKOWUSNGAOPVGE-BBRMVZONSA-N 1 3 308.416 3.737 20 0 DHADHO COc1cccc2cc(CN3CCCC34CC[NH+](C)CC4)oc21 ZINC000789559372 1024121845 /nfs/dbraw/zinc/12/18/45/1024121845.db2.gz OTZPLAOMFYQBQO-UHFFFAOYSA-N 1 3 314.429 3.502 20 0 DHADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001170118981 1024160860 /nfs/dbraw/zinc/16/08/60/1024160860.db2.gz VLNXEJATRNWDKM-CRAIPNDOSA-N 1 3 304.453 3.816 20 0 DHADHO Cc1cccc([C@H](C)NCC2([NH+]3CCCC3)CCOCC2)c1C ZINC000268851657 1024180017 /nfs/dbraw/zinc/18/00/17/1024180017.db2.gz FXWVPDJZPOONBV-SFHVURJKSA-N 1 3 316.489 3.599 20 0 DHADHO C[C@@H]1[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000663472175 1024427948 /nfs/dbraw/zinc/42/79/48/1024427948.db2.gz ZFUIZPHYQUIAQP-RCVZYCBYSA-N 1 3 312.501 3.890 20 0 DHADHO [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883428600 1024433335 /nfs/dbraw/zinc/43/33/35/1024433335.db2.gz YBNIFEPQZIWAPY-GBESFXJTSA-N 1 3 302.462 3.500 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(C(C)(C)C)cc1 ZINC000925778514 1024436205 /nfs/dbraw/zinc/43/62/05/1024436205.db2.gz JSNLZZNTWNYOCS-CZUORRHYSA-N 1 3 310.432 3.880 20 0 DHADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883438872 1024436300 /nfs/dbraw/zinc/43/63/00/1024436300.db2.gz DXZCWSCHHAHTND-BJLQDIEVSA-N 1 3 316.489 3.604 20 0 DHADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883438872 1024436306 /nfs/dbraw/zinc/43/63/06/1024436306.db2.gz DXZCWSCHHAHTND-BJLQDIEVSA-N 1 3 316.489 3.604 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000925780046 1024454895 /nfs/dbraw/zinc/45/48/95/1024454895.db2.gz QZKBYKCGNKLFHG-ONGXEEELSA-N 1 3 323.214 3.889 20 0 DHADHO CC(C)[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccccc1Cl ZINC000925781668 1024464507 /nfs/dbraw/zinc/46/45/07/1024464507.db2.gz JGYNMQQRGHVDFW-WFASDCNBSA-N 1 3 316.823 3.872 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000643456645 1024469511 /nfs/dbraw/zinc/46/95/11/1024469511.db2.gz RCQPUWGZFZQJTD-DLBZAZTESA-N 1 3 320.358 3.982 20 0 DHADHO CC(C)COCC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001172463357 1033216144 /nfs/dbraw/zinc/21/61/44/1033216144.db2.gz MZGAKDPFNABLQD-KRWDZBQOSA-N 1 3 310.526 3.824 20 0 DHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000271497477 1024522132 /nfs/dbraw/zinc/52/21/32/1024522132.db2.gz LLIFCFGDHMPBFS-FZKQIMNGSA-N 1 3 321.428 3.632 20 0 DHADHO C[N@H+](CCCCNCc1c(Cl)cccc1Cl)C1CC1 ZINC000453609044 1024550137 /nfs/dbraw/zinc/55/01/37/1024550137.db2.gz ZOSUIMJAWDOOET-UHFFFAOYSA-N 1 3 301.261 3.957 20 0 DHADHO C[N@@H+](CCCCNCc1c(Cl)cccc1Cl)C1CC1 ZINC000453609044 1024550142 /nfs/dbraw/zinc/55/01/42/1024550142.db2.gz ZOSUIMJAWDOOET-UHFFFAOYSA-N 1 3 301.261 3.957 20 0 DHADHO CCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000532246707 1024583846 /nfs/dbraw/zinc/58/38/46/1024583846.db2.gz MRMBYTFPLOSWTD-SOLBZPMBSA-N 1 3 304.478 3.602 20 0 DHADHO CC[C@H]1C[C@@H]([NH+]2CCC(N)(c3ccccc3Cl)CC2)CCO1 ZINC001170192260 1024686978 /nfs/dbraw/zinc/68/69/78/1024686978.db2.gz KCAFTVQPKYJFQT-GJZGRUSLSA-N 1 3 322.880 3.547 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3ccc(F)cc32)[C@H]2CCC[C@H]21 ZINC000353585431 1025141382 /nfs/dbraw/zinc/14/13/82/1025141382.db2.gz SMZZPMUQNJJISF-OQIJWPOYSA-N 1 3 302.437 3.666 20 0 DHADHO C[N@H+]1CC[C@H](N[C@@H]2CCCc3ccc(F)cc32)[C@H]2CCC[C@H]21 ZINC000353585431 1025141404 /nfs/dbraw/zinc/14/14/04/1025141404.db2.gz SMZZPMUQNJJISF-OQIJWPOYSA-N 1 3 302.437 3.666 20 0 DHADHO C[C@H](CCc1c(F)cc(Cl)cc1F)N(C)CCC[NH+](C)C ZINC001172572506 1033266468 /nfs/dbraw/zinc/26/64/68/1033266468.db2.gz YQDGSYRIMUEZLH-GFCCVEGCSA-N 1 3 318.839 3.823 20 0 DHADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000279825954 1025277842 /nfs/dbraw/zinc/27/78/42/1025277842.db2.gz YNIDSVYRQMSLIQ-MAUKXSAKSA-N 1 3 304.478 3.615 20 0 DHADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000279836750 1025282055 /nfs/dbraw/zinc/28/20/55/1025282055.db2.gz ZNEJHWKBYOBNMV-UZLBHIALSA-N 1 3 316.489 3.759 20 0 DHADHO CCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCc2cc(OC)ccc21 ZINC000353970089 1025308460 /nfs/dbraw/zinc/30/84/60/1025308460.db2.gz BPPAUBBWKCZWDV-VQIMIIECSA-N 1 3 302.462 3.537 20 0 DHADHO CCC[N@H+]1CCC[C@@H]1CN[C@@H]1CCCc2cc(OC)ccc21 ZINC000353970089 1025308469 /nfs/dbraw/zinc/30/84/69/1025308469.db2.gz BPPAUBBWKCZWDV-VQIMIIECSA-N 1 3 302.462 3.537 20 0 DHADHO CCC[NH+]1CCC(N[C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000236796470 1025322998 /nfs/dbraw/zinc/32/29/98/1025322998.db2.gz DHDMDANWBSCQEQ-IBGZPJMESA-N 1 3 302.462 3.610 20 0 DHADHO Cc1ccc(CCC[NH2+]C2CCN(CC3CCCC3)CC2)cn1 ZINC000354147190 1025369556 /nfs/dbraw/zinc/36/95/56/1025369556.db2.gz RWGALPAOTDJRDS-UHFFFAOYSA-N 1 3 315.505 3.567 20 0 DHADHO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000877314982 1033279852 /nfs/dbraw/zinc/27/98/52/1033279852.db2.gz GYEFPGZIPKBHSQ-ZOCZFRKYSA-N 1 3 318.442 3.564 20 0 DHADHO CC[NH+]1CCC(N(C)Cc2cccc(-c3cccnc3)c2)CC1 ZINC000125231973 1025462541 /nfs/dbraw/zinc/46/25/41/1025462541.db2.gz BMQQQDNONUJLIW-UHFFFAOYSA-N 1 3 309.457 3.665 20 0 DHADHO CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)s1 ZINC000125739980 1025491999 /nfs/dbraw/zinc/49/19/99/1025491999.db2.gz NKZSGUDNBOEKCI-HIFRSBDPSA-N 1 3 309.523 3.785 20 0 DHADHO CCSc1cccc(CN2CCCC23CC[NH+](C)CC3)c1 ZINC000355036188 1025588834 /nfs/dbraw/zinc/58/88/34/1025588834.db2.gz KILGVKRKQUDWJW-UHFFFAOYSA-N 1 3 304.503 3.859 20 0 DHADHO CCc1nc2c(s1)[C@@H]([NH2+]CC1(CN(C)C)CCCC1)CCC2 ZINC000355035902 1025589170 /nfs/dbraw/zinc/58/91/70/1025589170.db2.gz IYQVBRPYXDJSCO-AWEZNQCLSA-N 1 3 321.534 3.795 20 0 DHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(C(F)F)CC3)CC2)C1 ZINC000355173738 1025624537 /nfs/dbraw/zinc/62/45/37/1025624537.db2.gz YVSDCUCDTMRLOZ-DZGCQCFKSA-N 1 3 300.437 3.664 20 0 DHADHO C[C@H](CCO)C1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000359893026 1025725599 /nfs/dbraw/zinc/72/55/99/1025725599.db2.gz CHJMYBDEFKQJEM-QGZVFWFLSA-N 1 3 322.537 3.562 20 0 DHADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000132152936 1025731941 /nfs/dbraw/zinc/73/19/41/1025731941.db2.gz FYHWFBXZEHWVSA-MRXNPFEDSA-N 1 3 302.462 3.610 20 0 DHADHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccnc1 ZINC000245659125 1026116546 /nfs/dbraw/zinc/11/65/46/1026116546.db2.gz FFKMSHBGOZOKCJ-DVWBAYGPSA-N 1 3 321.468 3.928 20 0 DHADHO CN(C/C=C/CN(C)Cc1ccsc1)Cc1ccsc1 ZINC000120554668 1026273502 /nfs/dbraw/zinc/27/35/02/1026273502.db2.gz YGKAWTZDIMXBKJ-ONEGZZNKSA-N 1 3 306.500 3.930 20 0 DHADHO CN(C/C=C/C[N@H+](C)Cc1ccsc1)Cc1ccsc1 ZINC000120554668 1026273516 /nfs/dbraw/zinc/27/35/16/1026273516.db2.gz YGKAWTZDIMXBKJ-ONEGZZNKSA-N 1 3 306.500 3.930 20 0 DHADHO CN(C/C=C/C[N@@H+](C)Cc1ccsc1)Cc1ccsc1 ZINC000120554668 1026273524 /nfs/dbraw/zinc/27/35/24/1026273524.db2.gz YGKAWTZDIMXBKJ-ONEGZZNKSA-N 1 3 306.500 3.930 20 0 DHADHO c1cc(C[NH2+]CCCN2CCCCC2)cc(OC2CCCC2)c1 ZINC000614470189 1026449709 /nfs/dbraw/zinc/44/97/09/1026449709.db2.gz HPHDXVIQHMRPOL-UHFFFAOYSA-N 1 3 316.489 3.974 20 0 DHADHO COC1CCC(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000513334125 1026481410 /nfs/dbraw/zinc/48/14/10/1026481410.db2.gz FDYCAPAWLPBSGJ-UHFFFAOYSA-N 1 3 308.510 3.578 20 0 DHADHO CSc1cc(C)ccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513698275 1026671736 /nfs/dbraw/zinc/67/17/36/1026671736.db2.gz YOWGZZJHJKKNJH-BRWVUGGUSA-N 1 3 304.503 3.679 20 0 DHADHO CSc1cc(C)ccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513698275 1026671742 /nfs/dbraw/zinc/67/17/42/1026671742.db2.gz YOWGZZJHJKKNJH-BRWVUGGUSA-N 1 3 304.503 3.679 20 0 DHADHO CSc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000513698275 1026671746 /nfs/dbraw/zinc/67/17/46/1026671746.db2.gz YOWGZZJHJKKNJH-BRWVUGGUSA-N 1 3 304.503 3.679 20 0 DHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000420302873 1026800702 /nfs/dbraw/zinc/80/07/02/1026800702.db2.gz JUSUVJFKQYTRBW-PZJWPPBQSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000420302873 1026800711 /nfs/dbraw/zinc/80/07/11/1026800711.db2.gz JUSUVJFKQYTRBW-PZJWPPBQSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@@H](C[NH3+])CN(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000420321330 1026804750 /nfs/dbraw/zinc/80/47/50/1026804750.db2.gz RGUQWRBBGHGSJM-YOEHRIQHSA-N 1 3 316.420 3.570 20 0 DHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2ccccc2C)cc1 ZINC000420328378 1026806653 /nfs/dbraw/zinc/80/66/53/1026806653.db2.gz ZGPBULHGURVEDE-WIYYLYMNSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2ccccc2C)cc1 ZINC000420328378 1026806659 /nfs/dbraw/zinc/80/66/59/1026806659.db2.gz ZGPBULHGURVEDE-WIYYLYMNSA-N 1 3 324.468 3.883 20 0 DHADHO C[NH2+]CCCN1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000420377548 1026809210 /nfs/dbraw/zinc/80/92/10/1026809210.db2.gz SLKIWIRFZMYGOY-NHCUHLMSSA-N 1 3 324.468 3.835 20 0 DHADHO FC(F)(F)c1cccc([C@@H](NC[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420391901 1026811605 /nfs/dbraw/zinc/81/16/05/1026811605.db2.gz BFWXDWRINWZFFA-LRDDRELGSA-N 1 3 312.379 3.746 20 0 DHADHO C[C@H](c1ccccc1Cl)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420382067 1026812071 /nfs/dbraw/zinc/81/20/71/1026812071.db2.gz DILDKIQFNXDEED-QIIPPGSGSA-N 1 3 322.880 3.619 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)NC[C@@H]1CC[NH2+]C1 ZINC000420406338 1026814031 /nfs/dbraw/zinc/81/40/31/1026814031.db2.gz NRIWYCKGEUKTGN-SJORKVTESA-N 1 3 300.471 3.539 20 0 DHADHO Cc1c2[nH]cnc2ccc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170626617 1026939320 /nfs/dbraw/zinc/93/93/20/1026939320.db2.gz IADMRMGYISDEAA-UHFFFAOYSA-N 1 3 324.472 3.605 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000561976910 1027152573 /nfs/dbraw/zinc/15/25/73/1027152573.db2.gz WTMXJNOBFUYFAS-LSDHHAIUSA-N 1 3 310.432 3.606 20 0 DHADHO Cc1cccc2[nH]cc(CCN[C@H]3C[C@@H]([NH3+])c4ccccc43)c21 ZINC000422723200 1027305184 /nfs/dbraw/zinc/30/51/84/1027305184.db2.gz ZVWGIVURZAOIHK-MJGOQNOKSA-N 1 3 305.425 3.753 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000422758375 1027305395 /nfs/dbraw/zinc/30/53/95/1027305395.db2.gz JKANJUWYRPAPHN-MJGOQNOKSA-N 1 3 309.388 3.584 20 0 DHADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422742851 1027310876 /nfs/dbraw/zinc/31/08/76/1027310876.db2.gz QUXDUFSUQRSYSL-GWKIZSTFSA-N 1 3 321.468 3.556 20 0 DHADHO COc1ccc([C@H](C)CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422785746 1027321019 /nfs/dbraw/zinc/32/10/19/1027321019.db2.gz RKWYOQWWKWSDJW-XMCHAPAWSA-N 1 3 310.441 3.923 20 0 DHADHO COc1ccc(CC[C@H](C)N[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422794773 1027322954 /nfs/dbraw/zinc/32/29/54/1027322954.db2.gz ZJAFASIVBIKHAA-KPOBHBOGSA-N 1 3 310.441 3.751 20 0 DHADHO COc1ccc([C@H](C)CCN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422785744 1027324706 /nfs/dbraw/zinc/32/47/06/1027324706.db2.gz RKWYOQWWKWSDJW-UAOJZALGSA-N 1 3 310.441 3.923 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)N[C@H]3CCC[C@@H]3C[NH3+])cc2)cs1 ZINC000422800535 1027327400 /nfs/dbraw/zinc/32/74/00/1027327400.db2.gz CCPDXXKIVGSQEP-VUCTXSBTSA-N 1 3 315.486 3.897 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000422799037 1027328263 /nfs/dbraw/zinc/32/82/63/1027328263.db2.gz UTNCZCDKOKTOIT-QMCVQRASSA-N 1 3 301.478 3.858 20 0 DHADHO CC[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)Oc1ccccc1F ZINC000422816842 1027340408 /nfs/dbraw/zinc/34/04/08/1027340408.db2.gz GBNOTRXSZUXSJJ-XWIAVFTESA-N 1 3 314.404 3.718 20 0 DHADHO Cc1ccc(SC2(CN[C@@H]3CCC[C@H]3[NH3+])CCCC2)cc1 ZINC000422837998 1027340690 /nfs/dbraw/zinc/34/06/90/1027340690.db2.gz NLKXHZCNINOJJK-IAGOWNOFSA-N 1 3 304.503 3.869 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCSc2ccccc21 ZINC000422853108 1027341926 /nfs/dbraw/zinc/34/19/26/1027341926.db2.gz BKFGNNLWYLUKFG-GUYCJALGSA-N 1 3 313.470 3.736 20 0 DHADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccccc1COCc1ccccc1 ZINC000422867373 1027342451 /nfs/dbraw/zinc/34/24/51/1027342451.db2.gz SAVYANDYXKIRKQ-GHTZIAJQSA-N 1 3 324.468 3.620 20 0 DHADHO COc1cc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])ccc1OC1CCCC1 ZINC000422884867 1027350666 /nfs/dbraw/zinc/35/06/66/1027350666.db2.gz XUABQKCFOMSAFF-ZNMIVQPWSA-N 1 3 320.477 3.793 20 0 DHADHO COc1ccccc1Oc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422903252 1027354720 /nfs/dbraw/zinc/35/47/20/1027354720.db2.gz FGKBAIFOIRAYGL-LSDHHAIUSA-N 1 3 314.429 3.703 20 0 DHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cc2ccccc2o1 ZINC000422924237 1027360784 /nfs/dbraw/zinc/36/07/84/1027360784.db2.gz TWCNBYFAKSIVPC-HNAYVOBHSA-N 1 3 308.425 3.523 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422926073 1027363027 /nfs/dbraw/zinc/36/30/27/1027363027.db2.gz WCZGBGZDSRBYRJ-YALNPMBYSA-N 1 3 322.880 3.618 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc2ccccc2c1 ZINC000422943747 1027364919 /nfs/dbraw/zinc/36/49/19/1027364919.db2.gz KRNWFHNAUXXYLD-HNNXBMFYSA-N 1 3 319.452 3.895 20 0 DHADHO COc1ccc(C(C)(C)CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422940644 1027369111 /nfs/dbraw/zinc/36/91/11/1027369111.db2.gz HIMUXEUCYZZBJQ-RBUKOAKNSA-N 1 3 310.441 3.707 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422920644 1027371577 /nfs/dbraw/zinc/37/15/77/1027371577.db2.gz MLBNYJMWHAFVSX-XFKAJCMBSA-N 1 3 322.880 3.618 20 0 DHADHO Cc1cccc(-c2ccc(CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2)c1 ZINC000422965728 1027372030 /nfs/dbraw/zinc/37/20/30/1027372030.db2.gz LVPODBPFBPFTLB-ZLGUVYLKSA-N 1 3 324.468 3.504 20 0 DHADHO COc1cc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])ccc1OCC(C)C ZINC000422945343 1027376755 /nfs/dbraw/zinc/37/67/55/1027376755.db2.gz UEFABTVUUGOJDL-KFWWJZLASA-N 1 3 308.466 3.506 20 0 DHADHO [NH3+][C@H]1C[C@H](NCC2(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000422993580 1027382890 /nfs/dbraw/zinc/38/28/90/1027382890.db2.gz RPCIQLQWRRPLLR-OALUTQOASA-N 1 3 310.416 3.883 20 0 DHADHO c1ccc(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)nc1 ZINC000422994958 1027384224 /nfs/dbraw/zinc/38/42/24/1027384224.db2.gz JAGLXBYZMBHJNB-HLAWJBBLSA-N 1 3 321.468 3.759 20 0 DHADHO Cc1oc2ccccc2c1CC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423046848 1027394445 /nfs/dbraw/zinc/39/44/45/1027394445.db2.gz GDNFFAMMKXIOMQ-CYBMUJFWSA-N 1 3 323.440 3.797 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000423023303 1027395514 /nfs/dbraw/zinc/39/55/14/1027395514.db2.gz JLKSPOXGDSGGLJ-AFBRZQFHSA-N 1 3 309.457 3.823 20 0 DHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000423063930 1027403187 /nfs/dbraw/zinc/40/31/87/1027403187.db2.gz QAKWNNCZOHXSOF-ZNMIVQPWSA-N 1 3 300.368 3.582 20 0 DHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000423100275 1027417664 /nfs/dbraw/zinc/41/76/64/1027417664.db2.gz UZSKVYXEHGURON-WVSUBDOOSA-N 1 3 312.432 3.620 20 0 DHADHO FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+]C2CCNCC2)c1 ZINC000423111157 1027428783 /nfs/dbraw/zinc/42/87/83/1027428783.db2.gz VZOKRPVDIMGPOC-HOTGVXAUSA-N 1 3 312.379 3.683 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CSc2ccccc21 ZINC000423149184 1027432022 /nfs/dbraw/zinc/43/20/22/1027432022.db2.gz XKZFXAUQBAXSKC-BZUAXINKSA-N 1 3 304.503 3.776 20 0 DHADHO Fc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423170423 1027437370 /nfs/dbraw/zinc/43/73/70/1027437370.db2.gz LVMKIBVKEWCQQO-BHEBFOIGSA-N 1 3 302.437 3.582 20 0 DHADHO NC1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCCC1 ZINC000423179948 1027440735 /nfs/dbraw/zinc/44/07/35/1027440735.db2.gz NAKFIQYIJBERTD-MAUKXSAKSA-N 1 3 320.452 3.545 20 0 DHADHO NCC[NH2+][C@@H](CCSc1ccccc1)c1ccc(F)cc1 ZINC000423175471 1027442340 /nfs/dbraw/zinc/44/23/40/1027442340.db2.gz APRTTZHHVJIZRK-KRWDZBQOSA-N 1 3 304.434 3.598 20 0 DHADHO NCC[NH2+][C@H](CCSc1ccccc1)c1ccc(F)cc1 ZINC000423175472 1027442918 /nfs/dbraw/zinc/44/29/18/1027442918.db2.gz APRTTZHHVJIZRK-QGZVFWFLSA-N 1 3 304.434 3.598 20 0 DHADHO COc1cccc(C[C@@H](NC[C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423217133 1027459611 /nfs/dbraw/zinc/45/96/11/1027459611.db2.gz SZANBRQKYKGOOY-GHTZIAJQSA-N 1 3 324.468 3.568 20 0 DHADHO CC(C)[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423220908 1027461919 /nfs/dbraw/zinc/46/19/19/1027461919.db2.gz YVESWZNXAQRPKH-XJKSGUPXSA-N 1 3 314.395 3.992 20 0 DHADHO CC(C)[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423220906 1027462121 /nfs/dbraw/zinc/46/21/21/1027462121.db2.gz YVESWZNXAQRPKH-CJNGLKHVSA-N 1 3 314.395 3.992 20 0 DHADHO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1OC(F)F ZINC000295872065 1027470872 /nfs/dbraw/zinc/47/08/72/1027470872.db2.gz GHSYTOMMWCGLLT-HUORLRHWSA-N 1 3 324.415 3.954 20 0 DHADHO CCC(N)(CC)C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423281163 1027479916 /nfs/dbraw/zinc/47/99/16/1027479916.db2.gz AOTWBSGMSLAYDU-QWHCGFSZSA-N 1 3 305.491 3.895 20 0 DHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000423293601 1027486257 /nfs/dbraw/zinc/48/62/57/1027486257.db2.gz AGJAAGPUBDTDOH-QWHCGFSZSA-N 1 3 303.475 3.672 20 0 DHADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423292029 1027486759 /nfs/dbraw/zinc/48/67/59/1027486759.db2.gz KZTLMGXWALATFQ-ZIAGYGMSSA-N 1 3 311.429 3.516 20 0 DHADHO C[C@H]([NH2+][C@H](CN)C1CC1)c1ccc2ccccc2c1OC(F)F ZINC000423275627 1027492915 /nfs/dbraw/zinc/49/29/15/1027492915.db2.gz MACAQEPFUPHWJQ-MEDUHNTESA-N 1 3 320.383 3.829 20 0 DHADHO CC(C)[C@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423274516 1027493059 /nfs/dbraw/zinc/49/30/59/1027493059.db2.gz MEAVOFMKNXFWQE-CABCVRRESA-N 1 3 315.486 3.760 20 0 DHADHO COc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C(C)C)cc1 ZINC000295938475 1027493267 /nfs/dbraw/zinc/49/32/67/1027493267.db2.gz LGKACIPLHOFIFI-PHSGOXPASA-N 1 3 302.462 3.607 20 0 DHADHO COc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C(C)C)cc1 ZINC000295938475 1027493279 /nfs/dbraw/zinc/49/32/79/1027493279.db2.gz LGKACIPLHOFIFI-PHSGOXPASA-N 1 3 302.462 3.607 20 0 DHADHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423295947 1027502577 /nfs/dbraw/zinc/50/25/77/1027502577.db2.gz FXZHFDGTOPZVDZ-DAXOMENPSA-N 1 3 314.395 3.916 20 0 DHADHO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000423363020 1027520951 /nfs/dbraw/zinc/52/09/51/1027520951.db2.gz AERMAERONVCAGX-XJFOESAGSA-N 1 3 303.475 3.518 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423401479 1027526304 /nfs/dbraw/zinc/52/63/04/1027526304.db2.gz QXJQZXGSMZYPSA-KCMWZYNZSA-N 1 3 306.881 3.954 20 0 DHADHO CC(C)[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423384683 1027528639 /nfs/dbraw/zinc/52/86/39/1027528639.db2.gz GGHDSJCYAULUDI-WQVCFCJDSA-N 1 3 314.395 3.990 20 0 DHADHO CC(C)[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423395653 1027535660 /nfs/dbraw/zinc/53/56/60/1027535660.db2.gz NIWWASLIZQIFSK-RCBQFDQVSA-N 1 3 314.395 3.990 20 0 DHADHO CC[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cc(C)ccc1OC ZINC000423403702 1027538507 /nfs/dbraw/zinc/53/85/07/1027538507.db2.gz XCZDHRAPPYRKMY-IBGZPJMESA-N 1 3 310.441 3.848 20 0 DHADHO FC(F)(F)c1ccc([C@@H]2CCCC[C@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423438699 1027552555 /nfs/dbraw/zinc/55/25/55/1027552555.db2.gz RSRWJWGNGXUIIZ-FIDHJVLJSA-N 1 3 324.390 3.539 20 0 DHADHO CC[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000296138403 1027554534 /nfs/dbraw/zinc/55/45/34/1027554534.db2.gz WCRIYZCNAYWIBN-GOSISDBHSA-N 1 3 318.486 3.929 20 0 DHADHO Cc1c([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cnn1C(C)C ZINC000423511593 1027577912 /nfs/dbraw/zinc/57/79/12/1027577912.db2.gz NQVNMHNJAPIEER-KXBFYZLASA-N 1 3 314.477 3.903 20 0 DHADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1 ZINC000423535250 1027579803 /nfs/dbraw/zinc/57/98/03/1027579803.db2.gz XFVOUNLLCBASCV-LXDRIQHSSA-N 1 3 324.468 3.532 20 0 DHADHO COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1 ZINC000423535259 1027584868 /nfs/dbraw/zinc/58/48/68/1027584868.db2.gz XFVOUNLLCBASCV-SNHGZMDHSA-N 1 3 324.468 3.532 20 0 DHADHO C[C@@H](NCC(C)(C)c1c(F)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000562959550 1027828864 /nfs/dbraw/zinc/82/88/64/1027828864.db2.gz IACYNSJJVWBWDB-CHWSQXEVSA-N 1 3 312.860 3.734 20 0 DHADHO CC[C@H](C)c1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000527856022 1027923240 /nfs/dbraw/zinc/92/32/40/1027923240.db2.gz XYJYCQRFJBGHNM-DLBZAZTESA-N 1 3 318.505 3.698 20 0 DHADHO CC[C@H](C)c1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000527856025 1027923269 /nfs/dbraw/zinc/92/32/69/1027923269.db2.gz XYJYCQRFJBGHNM-IRXDYDNUSA-N 1 3 318.505 3.698 20 0 DHADHO Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000367593276 1028209798 /nfs/dbraw/zinc/20/97/98/1028209798.db2.gz HEADHRATAKKOLH-HKUYNNGSSA-N 1 3 309.457 3.563 20 0 DHADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC000578871227 1028260611 /nfs/dbraw/zinc/26/06/11/1028260611.db2.gz ULFVYMMQHRXENU-IHPCNDPISA-N 1 3 300.490 3.951 20 0 DHADHO C[NH+](C)[C@H]1CCCN(CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000579096054 1028321597 /nfs/dbraw/zinc/32/15/97/1028321597.db2.gz OUWPPTNSQODSOY-IBGZPJMESA-N 1 3 302.506 3.943 20 0 DHADHO CN(C)[C@H]1CCC[N@H+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000579096054 1028321615 /nfs/dbraw/zinc/32/16/15/1028321615.db2.gz OUWPPTNSQODSOY-IBGZPJMESA-N 1 3 302.506 3.943 20 0 DHADHO CN(C)[C@H]1CCC[N@@H+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000579096054 1028321635 /nfs/dbraw/zinc/32/16/35/1028321635.db2.gz OUWPPTNSQODSOY-IBGZPJMESA-N 1 3 302.506 3.943 20 0 DHADHO C[C@@H](F)CCN1CCC[C@@]2(CCC[N@H+](CC[C@H](C)F)C2)C1 ZINC000368240398 1028327210 /nfs/dbraw/zinc/32/72/10/1028327210.db2.gz JCVPCXXZFDMNCT-IXDOHACOSA-N 1 3 302.453 3.661 20 0 DHADHO C[C@@H](F)CCN1CCC[C@@]2(CCC[N@@H+](CC[C@H](C)F)C2)C1 ZINC000368240398 1028327223 /nfs/dbraw/zinc/32/72/23/1028327223.db2.gz JCVPCXXZFDMNCT-IXDOHACOSA-N 1 3 302.453 3.661 20 0 DHADHO C[C@@H](F)CC[N@H+]1CCC[C@@]2(CCCN(CC[C@H](C)F)C2)C1 ZINC000368240398 1028327236 /nfs/dbraw/zinc/32/72/36/1028327236.db2.gz JCVPCXXZFDMNCT-IXDOHACOSA-N 1 3 302.453 3.661 20 0 DHADHO C[C@@H](F)CC[N@@H+]1CCC[C@@]2(CCCN(CC[C@H](C)F)C2)C1 ZINC000368240398 1028327250 /nfs/dbraw/zinc/32/72/50/1028327250.db2.gz JCVPCXXZFDMNCT-IXDOHACOSA-N 1 3 302.453 3.661 20 0 DHADHO COc1ccc2c(c1)CCC[C@H]2[N@@H+]1CCCC12CCN(C)CC2 ZINC000368565376 1028371338 /nfs/dbraw/zinc/37/13/38/1028371338.db2.gz CVAHYOQGKUWDBB-LJQANCHMSA-N 1 3 314.473 3.633 20 0 DHADHO COc1ccc2c(c1)CCC[C@H]2[N@H+]1CCCC12CCN(C)CC2 ZINC000368565376 1028371353 /nfs/dbraw/zinc/37/13/53/1028371353.db2.gz CVAHYOQGKUWDBB-LJQANCHMSA-N 1 3 314.473 3.633 20 0 DHADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000579409117 1028404169 /nfs/dbraw/zinc/40/41/69/1028404169.db2.gz DECVUNARFRYXOY-HNNXBMFYSA-N 1 3 310.844 3.643 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@]2(C)CCCO2)CC1 ZINC000449189491 1028426055 /nfs/dbraw/zinc/42/60/55/1028426055.db2.gz HOGRJKCKKFRAGD-IBGZPJMESA-N 1 3 310.526 3.824 20 0 DHADHO COC[C@@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449189820 1028428185 /nfs/dbraw/zinc/42/81/85/1028428185.db2.gz MYJKRBIDFGLESD-QGZVFWFLSA-N 1 3 310.526 3.680 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@H]3OCCC[C@@H]23)CC1 ZINC000449267594 1028494898 /nfs/dbraw/zinc/49/48/98/1028494898.db2.gz AEHSHLPJLBPCDB-RCCFBDPRSA-N 1 3 322.537 3.823 20 0 DHADHO CO[C@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449344789 1028555679 /nfs/dbraw/zinc/55/56/79/1028555679.db2.gz SFMIPORENDZMTN-QGZVFWFLSA-N 1 3 310.526 3.680 20 0 DHADHO C[C@H]1CCC[C@]1(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449344627 1028556035 /nfs/dbraw/zinc/55/60/35/1028556035.db2.gz RXZPRXPNPYBXML-JXFKEZNVSA-N 1 3 324.553 3.806 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC[C@@H](C)F)ccc1OC ZINC000815645493 1028588813 /nfs/dbraw/zinc/58/88/13/1028588813.db2.gz HNHMWDWZKARDRS-HUUCEWRRSA-N 1 3 310.457 3.936 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc(COc3ccccc3)c2)C1 ZINC000565610313 1028612549 /nfs/dbraw/zinc/61/25/49/1028612549.db2.gz XZIFACNDGLOSJG-RTBURBONSA-N 1 3 310.441 3.625 20 0 DHADHO CC(C)(CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C(F)(F)F ZINC000566088802 1028676832 /nfs/dbraw/zinc/67/68/32/1028676832.db2.gz PQBCHFQYZBXKTI-KGLIPLIRSA-N 1 3 300.368 3.658 20 0 DHADHO c1c2ccccc2oc1[C@H](NCC[C@H]1CC[NH2+]C1)c1cccnc1 ZINC000566849845 1028792639 /nfs/dbraw/zinc/79/26/39/1028792639.db2.gz QQCVYQBBWSFHOH-FOIQADDNSA-N 1 3 321.424 3.506 20 0 DHADHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449560363 1028803241 /nfs/dbraw/zinc/80/32/41/1028803241.db2.gz JXBWJUQXCOYMMU-AJGUDLNYSA-N 1 3 304.865 3.958 20 0 DHADHO CN1CCC[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)c2ccccc21 ZINC000449653274 1028890724 /nfs/dbraw/zinc/89/07/24/1028890724.db2.gz RSEAZTQLZXBYQR-GOSISDBHSA-N 1 3 315.505 3.810 20 0 DHADHO CC[N@H+](Cc1ccccc1)C1CCN([C@@H]2CCCOCC2)CC1 ZINC001170828238 1028905082 /nfs/dbraw/zinc/90/50/82/1028905082.db2.gz XDCMPJNGUNHWSO-LJQANCHMSA-N 1 3 316.489 3.542 20 0 DHADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CCCOCC2)CC1 ZINC001170828238 1028905100 /nfs/dbraw/zinc/90/51/00/1028905100.db2.gz XDCMPJNGUNHWSO-LJQANCHMSA-N 1 3 316.489 3.542 20 0 DHADHO CC1CC[NH+](C[C@H]2CCCN(C[C@@]3(C)CCCS3)C2)CC1 ZINC000628156696 1028909644 /nfs/dbraw/zinc/90/96/44/1028909644.db2.gz ZHFCZRIFZNSANH-QZTJIDSGSA-N 1 3 310.551 3.716 20 0 DHADHO COc1ccc(Oc2ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc2)cc1 ZINC000567613345 1028928551 /nfs/dbraw/zinc/92/85/51/1028928551.db2.gz ZNTUWVPBRJUVNX-GJZGRUSLSA-N 1 3 314.429 3.703 20 0 DHADHO c1ccc2c(c1)CCSC[C@@H]2[NH2+]C1CC(N2CCCCC2)C1 ZINC000373523980 1029069980 /nfs/dbraw/zinc/06/99/80/1029069980.db2.gz QPSQTMFPPUDSBV-TVPLGVNVSA-N 1 3 316.514 3.624 20 0 DHADHO CC[N@@H+]1CCC[C@@H]1CNC/C(C)=C\c1ccccc1OC(F)F ZINC000568568398 1029092205 /nfs/dbraw/zinc/09/22/05/1029092205.db2.gz AHLMINZRXCWXCT-SYCZXOQXSA-N 1 3 324.415 3.765 20 0 DHADHO CC[N@H+]1CCC[C@@H]1CNC/C(C)=C\c1ccccc1OC(F)F ZINC000568568398 1029092225 /nfs/dbraw/zinc/09/22/25/1029092225.db2.gz AHLMINZRXCWXCT-SYCZXOQXSA-N 1 3 324.415 3.765 20 0 DHADHO CSCc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000569098252 1029175677 /nfs/dbraw/zinc/17/56/77/1029175677.db2.gz ZJBZHIDNEQAZBU-UHFFFAOYSA-N 1 3 306.519 3.902 20 0 DHADHO C[NH+](C)CCC1CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000569160994 1029186042 /nfs/dbraw/zinc/18/60/42/1029186042.db2.gz CSUYOVXAEGUJLA-UHFFFAOYSA-N 1 3 312.860 3.685 20 0 DHADHO FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCNC1 ZINC000817941888 1029282446 /nfs/dbraw/zinc/28/24/46/1029282446.db2.gz SUDVQIVYRPFSOC-WFASDCNBSA-N 1 3 312.429 3.720 20 0 DHADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1cccc(OC(F)F)c1 ZINC000817946895 1029287794 /nfs/dbraw/zinc/28/77/94/1029287794.db2.gz HIHMXUQMGSSCBL-ZDUSSCGKSA-N 1 3 320.383 3.640 20 0 DHADHO CC[C@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000817955173 1029294502 /nfs/dbraw/zinc/29/45/02/1029294502.db2.gz RSVGWCMJMFKUGD-MOPGFXCFSA-N 1 3 310.441 3.752 20 0 DHADHO CC(C)(N)C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817960529 1029300410 /nfs/dbraw/zinc/30/04/10/1029300410.db2.gz MSFWMWUMYOWKBQ-CYBMUJFWSA-N 1 3 300.418 3.706 20 0 DHADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817979505 1029316529 /nfs/dbraw/zinc/31/65/29/1029316529.db2.gz LCJZWISKDIYOAA-BXUZGUMPSA-N 1 3 300.418 3.706 20 0 DHADHO CC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000570442261 1029365671 /nfs/dbraw/zinc/36/56/71/1029365671.db2.gz ZZGSQYDEUBJADH-IAAVTCLWSA-N 1 3 304.453 3.687 20 0 DHADHO CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CN)C1 ZINC000629560120 1029368377 /nfs/dbraw/zinc/36/83/77/1029368377.db2.gz CXGARVLERKGAEL-MCIONIFRSA-N 1 3 306.416 3.662 20 0 DHADHO CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CN)C1 ZINC000629560120 1029368387 /nfs/dbraw/zinc/36/83/87/1029368387.db2.gz CXGARVLERKGAEL-MCIONIFRSA-N 1 3 306.416 3.662 20 0 DHADHO Fc1cc(F)cc(C2CC(N[C@H]3CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC000570503663 1029375774 /nfs/dbraw/zinc/37/57/74/1029375774.db2.gz KGWAFNMRKMJTAJ-GMXGEUMGSA-N 1 3 320.427 3.817 20 0 DHADHO Fc1cc(F)cc(C2CC(N[C@H]3CC[N@H+](C4CCCC4)C3)C2)c1 ZINC000570503663 1029375787 /nfs/dbraw/zinc/37/57/87/1029375787.db2.gz KGWAFNMRKMJTAJ-GMXGEUMGSA-N 1 3 320.427 3.817 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CC23CC3)ccc1OC ZINC000818356277 1029382116 /nfs/dbraw/zinc/38/21/16/1029382116.db2.gz MXOROIFPEHIRPE-KDOFPFPSSA-N 1 3 302.462 3.740 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC23CC3)ccc1OC ZINC000818356276 1029383560 /nfs/dbraw/zinc/38/35/60/1029383560.db2.gz MXOROIFPEHIRPE-KBXCAEBGSA-N 1 3 302.462 3.740 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CC(F)(F)C1 ZINC000529542021 1029385255 /nfs/dbraw/zinc/38/52/55/1029385255.db2.gz NZMHHCSILYCWKL-BFHYXJOUSA-N 1 3 300.437 3.663 20 0 DHADHO CCc1ccc2nccc(N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC000450523087 1029534567 /nfs/dbraw/zinc/53/45/67/1029534567.db2.gz CQQRZMZZNOOMLI-SJPCQFCGSA-N 1 3 309.457 3.859 20 0 DHADHO CCc1ccc2nccc(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC000450523087 1029534574 /nfs/dbraw/zinc/53/45/74/1029534574.db2.gz CQQRZMZZNOOMLI-SJPCQFCGSA-N 1 3 309.457 3.859 20 0 DHADHO COc1ccc(C2CCC([NH2+][C@H]3CCNC34CCC4)CC2)cc1 ZINC000530179929 1029774467 /nfs/dbraw/zinc/77/44/67/1029774467.db2.gz YWPXJDMLEBVNSA-KVWWFHCMSA-N 1 3 314.473 3.596 20 0 DHADHO COc1ccc(C2CCC([NH2+][C@@H]3CCNC34CCC4)CC2)cc1 ZINC000530179927 1029774789 /nfs/dbraw/zinc/77/47/89/1029774789.db2.gz YWPXJDMLEBVNSA-GXOAENINSA-N 1 3 314.473 3.596 20 0 DHADHO CCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1 ZINC000924567719 1030124977 /nfs/dbraw/zinc/12/49/77/1030124977.db2.gz QLPFDDUYIZANIL-NXEWRWPSSA-N 1 3 316.489 3.759 20 0 DHADHO CCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccc1 ZINC000924567719 1030124985 /nfs/dbraw/zinc/12/49/85/1030124985.db2.gz QLPFDDUYIZANIL-NXEWRWPSSA-N 1 3 316.489 3.759 20 0 DHADHO COc1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1F ZINC000924605872 1030137399 /nfs/dbraw/zinc/13/73/99/1030137399.db2.gz IQSTUDOJKOGPCZ-AWEZNQCLSA-N 1 3 316.420 3.747 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000822841712 1030143491 /nfs/dbraw/zinc/14/34/91/1030143491.db2.gz OLDCKUVQJILQLS-IHRRRGAJSA-N 1 3 319.320 3.813 20 0 DHADHO CC(C)CN1CCC([NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924628567 1030147457 /nfs/dbraw/zinc/14/74/57/1030147457.db2.gz JSMGEWPKEWTOJX-MRXNPFEDSA-N 1 3 318.505 3.685 20 0 DHADHO C[NH+](C)CCCCN[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000924856254 1030208915 /nfs/dbraw/zinc/20/89/15/1030208915.db2.gz VSFLSVBLOSPXME-GOSISDBHSA-N 1 3 317.864 3.756 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000924960659 1030234682 /nfs/dbraw/zinc/23/46/82/1030234682.db2.gz QOCAEKWIJZATJI-QWFCFKBJSA-N 1 3 315.505 3.503 20 0 DHADHO CC[NH+]1CCC(CN[C@@H](c2cccc(C)c2)c2ccccn2)CC1 ZINC000924953525 1030235254 /nfs/dbraw/zinc/23/52/54/1030235254.db2.gz CSYXIAPPUQWSIH-NRFANRHFSA-N 1 3 323.484 3.801 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000924960657 1030235883 /nfs/dbraw/zinc/23/58/83/1030235883.db2.gz QOCAEKWIJZATJI-GGPKGHCWSA-N 1 3 315.505 3.503 20 0 DHADHO CC[NH+]1CCC(CCNCc2ccnc(Cl)c2Cl)CC1 ZINC000290888698 1030238319 /nfs/dbraw/zinc/23/83/19/1030238319.db2.gz MSTAAKJHWIZGEV-UHFFFAOYSA-N 1 3 316.276 3.600 20 0 DHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCCc3nccs3)CC2)C1 ZINC000358043898 1030298200 /nfs/dbraw/zinc/29/82/00/1030298200.db2.gz WZZGICRUGUCMRJ-DOTOQJQBSA-N 1 3 321.534 3.708 20 0 DHADHO c1oc2ccccc2c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246106148 1030303174 /nfs/dbraw/zinc/30/31/74/1030303174.db2.gz JNFLFHYSTDLSGK-HNAYVOBHSA-N 1 3 310.441 3.882 20 0 DHADHO c1oc2ccccc2c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246106148 1030303190 /nfs/dbraw/zinc/30/31/90/1030303190.db2.gz JNFLFHYSTDLSGK-HNAYVOBHSA-N 1 3 310.441 3.882 20 0 DHADHO CC(C)[NH+]1CCC(CCN[C@H](C)c2ccncc2Cl)CC1 ZINC000866470109 1030310014 /nfs/dbraw/zinc/31/00/14/1030310014.db2.gz RPHFUDUUNRYPNN-CQSZACIVSA-N 1 3 309.885 3.896 20 0 DHADHO Cc1noc(C)c1[C@@H](C)NC1CCC([NH+]2CCCCC2)CC1 ZINC000925230586 1030314726 /nfs/dbraw/zinc/31/47/26/1030314726.db2.gz YLDMJQBNZOATNC-NVPAJSRCSA-N 1 3 305.466 3.739 20 0 DHADHO CCC(CC)(C[NH2+]C1CCN(CC2CC2)CC1)C(F)(F)F ZINC000866505466 1030329396 /nfs/dbraw/zinc/32/93/96/1030329396.db2.gz MKQBPEZVRRYOEQ-UHFFFAOYSA-N 1 3 306.416 3.819 20 0 DHADHO CCOc1cc(C)ccc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925553622 1030401219 /nfs/dbraw/zinc/40/12/19/1030401219.db2.gz UIFGRUMCKLJIKR-IBGZPJMESA-N 1 3 312.457 3.964 20 0 DHADHO COc1cc(C)cc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000925603731 1030417103 /nfs/dbraw/zinc/41/71/03/1030417103.db2.gz RDENHPYACWXNTM-INIZCTEOSA-N 1 3 312.457 3.916 20 0 DHADHO [NH3+]CCC[C@@H](N[C@@H]1CCOc2c(F)cccc21)c1ccccc1 ZINC000925604121 1030419140 /nfs/dbraw/zinc/41/91/40/1030419140.db2.gz HVBMINYNVIBOLE-QZTJIDSGSA-N 1 3 314.404 3.719 20 0 DHADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](c3ccccc3Cl)C1)[NH2+]2 ZINC000925677047 1030451252 /nfs/dbraw/zinc/45/12/52/1030451252.db2.gz VKKKCUSVXCXOQQ-PHEWQEMJSA-N 1 3 304.865 3.705 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(Cl)c1 ZINC000925779169 1030493221 /nfs/dbraw/zinc/49/32/21/1030493221.db2.gz MDDFWPDSURTXPJ-TZMCWYRMSA-N 1 3 302.796 3.626 20 0 DHADHO FC1(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000558257536 1030504030 /nfs/dbraw/zinc/50/40/30/1030504030.db2.gz QWJLPWFCYDXCKB-IPMKNSEASA-N 1 3 316.464 3.769 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccs2)[C@H](C)C1 ZINC000246392116 1030507138 /nfs/dbraw/zinc/50/71/38/1030507138.db2.gz AYTHYABSPIZFLN-OAGGEKHMSA-N 1 3 310.507 3.536 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cccs2)[C@H](C)C1 ZINC000246392116 1030507154 /nfs/dbraw/zinc/50/71/54/1030507154.db2.gz AYTHYABSPIZFLN-OAGGEKHMSA-N 1 3 310.507 3.536 20 0 DHADHO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1OC ZINC000246809392 1030652863 /nfs/dbraw/zinc/65/28/63/1030652863.db2.gz ABZSBOPLUIDXPU-HRCADAONSA-N 1 3 320.477 3.536 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2ccccc2)[C@H](C)C1 ZINC000247078566 1030675364 /nfs/dbraw/zinc/67/53/64/1030675364.db2.gz QRMZWDZZGZSYIR-HOJAQTOUSA-N 1 3 318.505 3.864 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2ccccc2)[C@H](C)C1 ZINC000247078566 1030675379 /nfs/dbraw/zinc/67/53/79/1030675379.db2.gz QRMZWDZZGZSYIR-HOJAQTOUSA-N 1 3 318.505 3.864 20 0 DHADHO CC1(C)[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@H]2CCCO[C@H]21 ZINC000247089232 1030675721 /nfs/dbraw/zinc/67/57/21/1030675721.db2.gz NUZNSZGZDUPFAM-GUDVDZBRSA-N 1 3 320.521 3.577 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccncc1 ZINC000247440162 1030689611 /nfs/dbraw/zinc/68/96/11/1030689611.db2.gz NGWPLSGPPNTKKL-YXJHDRRASA-N 1 3 315.486 3.877 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccncc1 ZINC000247440162 1030689614 /nfs/dbraw/zinc/68/96/14/1030689614.db2.gz NGWPLSGPPNTKKL-YXJHDRRASA-N 1 3 315.486 3.877 20 0 DHADHO Clc1ccnc2c1CC[C@H]2NCCCCC[NH+]1CCCC1 ZINC000926486589 1030760680 /nfs/dbraw/zinc/76/06/80/1030760680.db2.gz ILTQSLSVHJETHK-MRXNPFEDSA-N 1 3 307.869 3.578 20 0 DHADHO CSC[C@@H]([NH2+]CCCN(C)C)c1ccc(C(F)(F)F)cc1 ZINC000359201902 1030839006 /nfs/dbraw/zinc/83/90/06/1030839006.db2.gz BFUFAEFHYAUGPL-CQSZACIVSA-N 1 3 320.424 3.651 20 0 DHADHO C[C@@H](O)[C@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000926731968 1030891826 /nfs/dbraw/zinc/89/18/26/1030891826.db2.gz NOCNTQFRWVCWFQ-YRNRMSPPSA-N 1 3 312.457 3.521 20 0 DHADHO CC(C)CCN1CCC([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000926880048 1030963872 /nfs/dbraw/zinc/96/38/72/1030963872.db2.gz RJYHGGLFRFRMRC-ZNXRZULTSA-N 1 3 310.551 3.761 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@]2(C)CCOC3(CCC3)C2)CC1 ZINC000926878697 1030964446 /nfs/dbraw/zinc/96/44/46/1030964446.db2.gz ROPAXJDRAABOTB-LJQANCHMSA-N 1 3 322.537 3.826 20 0 DHADHO C[C@@H](NCc1ccc2c(c1)C[C@H](C)O2)c1cccc(C[NH+](C)C)c1 ZINC000926920215 1030994284 /nfs/dbraw/zinc/99/42/84/1030994284.db2.gz PPUQUXZXZFFGIS-JKSUJKDBSA-N 1 3 324.468 3.922 20 0 DHADHO CSc1cc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)ccn1 ZINC000925295848 1031015315 /nfs/dbraw/zinc/01/53/15/1031015315.db2.gz UBSHUPQREYILRN-CQSZACIVSA-N 1 3 315.486 3.716 20 0 DHADHO CC(C)[C@H](N[C@H](C)c1cccc(C[NH+](C)C)c1)c1cnn(C)c1 ZINC000927071810 1031072908 /nfs/dbraw/zinc/07/29/08/1031072908.db2.gz VDRXRNYKEIENQI-BEFAXECRSA-N 1 3 314.477 3.530 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1cccc(OC)c1 ZINC000360147574 1031296116 /nfs/dbraw/zinc/29/61/16/1031296116.db2.gz HAQFGPGHYNDCKC-VQIMIIECSA-N 1 3 304.478 3.858 20 0 DHADHO CC[C@@H]1CC[C@H](C)N1CC1(C[N@H+]2[C@H](CC)CC[C@@H]2C)COC1 ZINC000360213618 1031328266 /nfs/dbraw/zinc/32/82/66/1031328266.db2.gz QCLGMSLXYVKBMO-WNRNVDISSA-N 1 3 308.510 3.529 20 0 DHADHO CC[C@@H]1CC[C@H](C)N1CC1(C[N@@H+]2[C@H](CC)CC[C@@H]2C)COC1 ZINC000360213618 1031328279 /nfs/dbraw/zinc/32/82/79/1031328279.db2.gz QCLGMSLXYVKBMO-WNRNVDISSA-N 1 3 308.510 3.529 20 0 DHADHO Fc1cccc(-c2ccc(CN[C@@H]3CCC[NH2+]CC3)s2)c1 ZINC000666855291 1031419658 /nfs/dbraw/zinc/41/96/58/1031419658.db2.gz KTXQLPIIIUBRPT-OAHLLOKOSA-N 1 3 304.434 3.786 20 0 DHADHO COc1ccc([C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000878 1031487926 /nfs/dbraw/zinc/48/79/26/1031487926.db2.gz VESBFSSFHKIANZ-FXAWDEMLSA-N 1 3 316.489 3.999 20 0 DHADHO COc1ccc([C@H](N[C@H]2CC[N@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000878 1031487932 /nfs/dbraw/zinc/48/79/32/1031487932.db2.gz VESBFSSFHKIANZ-FXAWDEMLSA-N 1 3 316.489 3.999 20 0 DHADHO CSc1ccc([C@H](C)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000423192513 1031502716 /nfs/dbraw/zinc/50/27/16/1031502716.db2.gz VPRFDPMOOIPKTQ-HNNXBMFYSA-N 1 3 315.486 3.634 20 0 DHADHO [NH3+][C@@H](C[C@H]1CCCN(Cc2cc(C3CC3)no2)C1)C1CCCC1 ZINC000872158625 1031540515 /nfs/dbraw/zinc/54/05/15/1031540515.db2.gz WKIWJFWSVTYXTL-KDOFPFPSSA-N 1 3 317.477 3.672 20 0 DHADHO C[C@@H](C[NH2+][C@H](c1cccnc1)C1CCC1)CN1CCCCC1 ZINC000360837782 1031582470 /nfs/dbraw/zinc/58/24/70/1031582470.db2.gz RITFCNRBCDLMSR-LPHOPBHVSA-N 1 3 301.478 3.634 20 0 DHADHO CCN1CC[C@H]([N@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H]1C ZINC000929781389 1031604884 /nfs/dbraw/zinc/60/48/84/1031604884.db2.gz PJRGNUYRQDPGPF-BZZMCLGOSA-N 1 3 322.443 3.840 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H]1C ZINC000929781389 1031604893 /nfs/dbraw/zinc/60/48/93/1031604893.db2.gz PJRGNUYRQDPGPF-BZZMCLGOSA-N 1 3 322.443 3.840 20 0 DHADHO CC(C)(NCc1cc2c(s1)CC[NH2+]C2)c1cccc(F)c1 ZINC000873206686 1031757723 /nfs/dbraw/zinc/75/77/23/1031757723.db2.gz JDAVRNMYQBZKOF-UHFFFAOYSA-N 1 3 304.434 3.558 20 0 DHADHO Clc1cccc2c1CC[C@H]2NCc1cc2c(s1)CC[NH2+]C2 ZINC000873211218 1031760539 /nfs/dbraw/zinc/76/05/39/1031760539.db2.gz KLYJNTAUYIRCSU-MRXNPFEDSA-N 1 3 318.873 3.824 20 0 DHADHO C[C@@H](NCc1cc2c(s1)CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000873214097 1031761316 /nfs/dbraw/zinc/76/13/16/1031761316.db2.gz XWWQNFZAMWDHFR-LLVKDONJSA-N 1 3 306.862 3.898 20 0 DHADHO N[C@H](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000873234522 1031767116 /nfs/dbraw/zinc/76/71/16/1031767116.db2.gz FWAAAJJRSQBZKN-BZUAXINKSA-N 1 3 314.395 3.657 20 0 DHADHO N[C@H](CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000873234524 1031768440 /nfs/dbraw/zinc/76/84/40/1031768440.db2.gz FWAAAJJRSQBZKN-XHSDSOJGSA-N 1 3 314.395 3.657 20 0 DHADHO C[C@@H]1CC2(CC([NH2+]C3CCN([C@H]4CCC[C@@H](C)C4)CC3)C2)CO1 ZINC000897779524 1031830298 /nfs/dbraw/zinc/83/02/98/1031830298.db2.gz QSPBWAPVKIKUNU-LUMCNRMDSA-N 1 3 320.521 3.577 20 0 DHADHO CCn1c2ccccc2nc1[C@H]1CCCN1CCCCCC[NH3+] ZINC000846221184 1031935058 /nfs/dbraw/zinc/93/50/58/1031935058.db2.gz ICTURADJDJDEIL-GOSISDBHSA-N 1 3 314.477 3.712 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCOC34CCCC4)CC2)C1 ZINC000898110803 1031951171 /nfs/dbraw/zinc/95/11/71/1031951171.db2.gz HDTPSTKOPZUHLJ-NZSAHSFTSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCOC34CCCC4)CC2)C1 ZINC000898110803 1031951185 /nfs/dbraw/zinc/95/11/85/1031951185.db2.gz HDTPSTKOPZUHLJ-NZSAHSFTSA-N 1 3 320.521 3.721 20 0 DHADHO COc1ccccc1[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000539217945 1033301912 /nfs/dbraw/zinc/30/19/12/1033301912.db2.gz OFYBSUFCTMBILJ-RIFZZMRRSA-N 1 3 316.489 3.999 20 0 DHADHO COc1ccccc1[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000539217945 1033301928 /nfs/dbraw/zinc/30/19/28/1033301928.db2.gz OFYBSUFCTMBILJ-RIFZZMRRSA-N 1 3 316.489 3.999 20 0 DHADHO C[C@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000643529149 1033392953 /nfs/dbraw/zinc/39/29/53/1033392953.db2.gz WADAYKJBRJGUPF-GWCFXTLKSA-N 1 3 321.877 3.778 20 0 DHADHO Cc1ccc2c(c1)C[C@H](N1CCC([NH3+])(CC3CCC3)CC1)CC2 ZINC001172829067 1033392998 /nfs/dbraw/zinc/39/29/98/1033392998.db2.gz SPJYKHGFXQUWRB-HXUWFJFHSA-N 1 3 312.501 3.836 20 0 DHADHO Cc1ccc2c(c1)C[C@H]([NH2+]CCCN1CCCC[C@H]1C)CC2 ZINC001172836766 1033398666 /nfs/dbraw/zinc/39/86/66/1033398666.db2.gz XBXNEQMVOKRSFX-YLJYHZDGSA-N 1 3 300.490 3.706 20 0 DHADHO C[C@H](Cc1c(F)cccc1Cl)[N@H+](C)CCCN1CCCC1 ZINC001172853207 1033420437 /nfs/dbraw/zinc/42/04/37/1033420437.db2.gz JUCDBDDYDLIEQR-CQSZACIVSA-N 1 3 312.860 3.828 20 0 DHADHO C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)CCCN1CCCC1 ZINC001172853207 1033420443 /nfs/dbraw/zinc/42/04/43/1033420443.db2.gz JUCDBDDYDLIEQR-CQSZACIVSA-N 1 3 312.860 3.828 20 0 DHADHO C[C@@H](Cc1c(F)cccc1Cl)[N@H+](C)CCCN1CCCC1 ZINC001172853206 1033421172 /nfs/dbraw/zinc/42/11/72/1033421172.db2.gz JUCDBDDYDLIEQR-AWEZNQCLSA-N 1 3 312.860 3.828 20 0 DHADHO C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)CCCN1CCCC1 ZINC001172853206 1033421178 /nfs/dbraw/zinc/42/11/78/1033421178.db2.gz JUCDBDDYDLIEQR-AWEZNQCLSA-N 1 3 312.860 3.828 20 0 DHADHO C[C@@H](CSc1ccc(Cl)cc1)NCC[C@H]1CCC[N@@H+]1C ZINC001172878821 1033452106 /nfs/dbraw/zinc/45/21/06/1033452106.db2.gz KRMCJVWEZJIPER-DZGCQCFKSA-N 1 3 312.910 3.895 20 0 DHADHO C[C@@H](CSc1ccc(Cl)cc1)NCC[C@H]1CCC[N@H+]1C ZINC001172878821 1033452111 /nfs/dbraw/zinc/45/21/11/1033452111.db2.gz KRMCJVWEZJIPER-DZGCQCFKSA-N 1 3 312.910 3.895 20 0 DHADHO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC[C@H]1CCCN1C ZINC001172878821 1033452119 /nfs/dbraw/zinc/45/21/19/1033452119.db2.gz KRMCJVWEZJIPER-DZGCQCFKSA-N 1 3 312.910 3.895 20 0 DHADHO C[C@@H](NC1(C)CC(F)(F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877834109 1033478702 /nfs/dbraw/zinc/47/87/02/1033478702.db2.gz NVHOCMDICMYYBD-ZBFHGGJFSA-N 1 3 308.416 3.674 20 0 DHADHO C[C@@H](NC1(C)CC(F)(F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877834109 1033478709 /nfs/dbraw/zinc/47/87/09/1033478709.db2.gz NVHOCMDICMYYBD-ZBFHGGJFSA-N 1 3 308.416 3.674 20 0 DHADHO Clc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000152403006 1033522027 /nfs/dbraw/zinc/52/20/27/1033522027.db2.gz FFUZFBOTUNJQJO-CXAGYDPISA-N 1 3 320.864 3.628 20 0 DHADHO CC[NH+](CC)C1CCC(n2c3ccccc3nc2[C@@H](C)N)CC1 ZINC001173105408 1033542372 /nfs/dbraw/zinc/54/23/72/1033542372.db2.gz SISWBVIKQZPTGA-QQFBHYJXSA-N 1 3 314.477 3.882 20 0 DHADHO CCSC[C@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001173312852 1033665252 /nfs/dbraw/zinc/66/52/52/1033665252.db2.gz WTMBAHYVOYLEFQ-KRWDZBQOSA-N 1 3 318.530 3.726 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000878411397 1033694414 /nfs/dbraw/zinc/69/44/14/1033694414.db2.gz JFECUHBEMCTPRE-YESZJQIVSA-N 1 3 322.537 3.823 20 0 DHADHO CCC(CC)[NH+]1CCC(NC2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173476441 1033738236 /nfs/dbraw/zinc/73/82/36/1033738236.db2.gz XDQAESSCQUHKML-UHFFFAOYSA-N 1 3 322.443 3.675 20 0 DHADHO CCC(CC)N1CCC([NH2+]C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173476441 1033738254 /nfs/dbraw/zinc/73/82/54/1033738254.db2.gz XDQAESSCQUHKML-UHFFFAOYSA-N 1 3 322.443 3.675 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2ccnc(F)c2C)CC1 ZINC000862311148 1033814562 /nfs/dbraw/zinc/81/45/62/1033814562.db2.gz KICLHQRXHGPHNC-UHFFFAOYSA-N 1 3 321.484 3.863 20 0 DHADHO Cc1cc2[nH]c(C[NH2+]C3CCN(C4CCC4)CC3)cc2c(C)c1 ZINC000479577914 1033824768 /nfs/dbraw/zinc/82/47/68/1033824768.db2.gz LFTCDWJTJVGMEW-UHFFFAOYSA-N 1 3 311.473 3.891 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cn(C(F)F)c2ccccc12 ZINC000863547966 1034127437 /nfs/dbraw/zinc/12/74/37/1034127437.db2.gz SQQUAUQSXNJTGT-SWLSCSKDSA-N 1 3 307.388 3.514 20 0 DHADHO CCC1([NH+]2CCCCC2)CCN(C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000880255674 1034268263 /nfs/dbraw/zinc/26/82/63/1034268263.db2.gz UKWGABGSWDTGEE-ZWKOTPCHSA-N 1 3 308.510 3.532 20 0 DHADHO C[NH+](C)Cc1ccccc1NC1=CCCN(Cc2ccccc2)C1 ZINC001174394021 1034319640 /nfs/dbraw/zinc/31/96/40/1034319640.db2.gz CVTULUJYWWXKDH-UHFFFAOYSA-N 1 3 321.468 3.950 20 0 DHADHO CN(C)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000179637755 1034321227 /nfs/dbraw/zinc/32/12/27/1034321227.db2.gz SWZPWLPKQZKAHB-OAHLLOKOSA-N 1 3 300.471 3.799 20 0 DHADHO CN(C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000179637755 1034321250 /nfs/dbraw/zinc/32/12/50/1034321250.db2.gz SWZPWLPKQZKAHB-OAHLLOKOSA-N 1 3 300.471 3.799 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000481032215 1034554965 /nfs/dbraw/zinc/55/49/65/1034554965.db2.gz DLXWKUSJZXMUMO-KHYOSLBOSA-N 1 3 304.453 3.771 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000481032215 1034554977 /nfs/dbraw/zinc/55/49/77/1034554977.db2.gz DLXWKUSJZXMUMO-KHYOSLBOSA-N 1 3 304.453 3.771 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)C1 ZINC000481036773 1034564981 /nfs/dbraw/zinc/56/49/81/1034564981.db2.gz LHGYBANKGQTITJ-UYAOXDASSA-N 1 3 300.490 3.638 20 0 DHADHO CCCCN1CCC([NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865434717 1034644046 /nfs/dbraw/zinc/64/40/46/1034644046.db2.gz DKERIOVUPHHXER-UHFFFAOYSA-N 1 3 315.436 3.728 20 0 DHADHO CC(C)CN(CC[C@H]1CCC[N@@H+]1C)[C@H]1CCCc2cccnc21 ZINC000481344623 1034767522 /nfs/dbraw/zinc/76/75/22/1034767522.db2.gz SRMKWHYMNMNELD-MOPGFXCFSA-N 1 3 315.505 3.901 20 0 DHADHO CC(C)CN(CC[C@H]1CCC[N@H+]1C)[C@H]1CCCc2cccnc21 ZINC000481344623 1034767530 /nfs/dbraw/zinc/76/75/30/1034767530.db2.gz SRMKWHYMNMNELD-MOPGFXCFSA-N 1 3 315.505 3.901 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192830932 1034819382 /nfs/dbraw/zinc/81/93/82/1034819382.db2.gz MNJUDTGFVOSZBU-VQIMIIECSA-N 1 3 301.478 3.643 20 0 DHADHO C[NH+](C)Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)cc1 ZINC001175505509 1035017509 /nfs/dbraw/zinc/01/75/09/1035017509.db2.gz GBLFOWMRXLQOPN-UHFFFAOYSA-N 1 3 321.468 3.950 20 0 DHADHO Cc1cccc(C[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)C2CC2)c1 ZINC000484476210 1035344759 /nfs/dbraw/zinc/34/47/59/1035344759.db2.gz VAQMQPZKZHIQLW-UFYCRDLUSA-N 1 3 300.490 3.779 20 0 DHADHO CC[NH+](CC)Cc1ccccc1CNCc1cc(C)nc(C)c1 ZINC001177127878 1035349130 /nfs/dbraw/zinc/34/91/30/1035349130.db2.gz UGBZCDDYLDECEK-UHFFFAOYSA-N 1 3 311.473 3.830 20 0 DHADHO C[C@@]1(C[NH3+])CCCN(Cc2c(Cl)cccc2Cl)CC1 ZINC001206296903 1035357669 /nfs/dbraw/zinc/35/76/69/1035357669.db2.gz VHVDKHSIAJOAGG-OAHLLOKOSA-N 1 3 301.261 3.944 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1F ZINC000195136519 1035415242 /nfs/dbraw/zinc/41/52/42/1035415242.db2.gz KMXUWZMCENHLDT-SJLPKXTDSA-N 1 3 312.432 3.998 20 0 DHADHO Cc1ccc(C)c(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904476974 1035418299 /nfs/dbraw/zinc/41/82/99/1035418299.db2.gz VQRGDWKUFKIRBJ-TZIWHRDSSA-N 1 3 322.452 3.649 20 0 DHADHO CC[C@@H]1CCC[C@H](CN[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC001179636388 1035489009 /nfs/dbraw/zinc/48/90/09/1035489009.db2.gz DTWPQFDLMWOLDJ-ZIFCJYIRSA-N 1 3 303.494 3.880 20 0 DHADHO C[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)(C)C ZINC000668513576 1035725403 /nfs/dbraw/zinc/72/54/03/1035725403.db2.gz UJXJQZNBXHYPQG-INIZCTEOSA-N 1 3 303.494 3.565 20 0 DHADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1(CC)CC ZINC000539497111 1035754512 /nfs/dbraw/zinc/75/45/12/1035754512.db2.gz QHIKCCSZRYDPFI-KZNAEPCWSA-N 1 3 310.526 3.680 20 0 DHADHO COc1ccc(-c2ccccc2)cc1CNCC1=CC[N@H+](C)CC1 ZINC000539546467 1035774874 /nfs/dbraw/zinc/77/48/74/1035774874.db2.gz CUIMNAOSMYXMMH-UHFFFAOYSA-N 1 3 322.452 3.714 20 0 DHADHO COc1ccc(-c2ccccc2)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000539546467 1035774891 /nfs/dbraw/zinc/77/48/91/1035774891.db2.gz CUIMNAOSMYXMMH-UHFFFAOYSA-N 1 3 322.452 3.714 20 0 DHADHO CC(C)C[C@@H]1CCCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192745322 1035816884 /nfs/dbraw/zinc/81/68/84/1035816884.db2.gz TXAIAOOKDPYVKA-FQEVSTJZSA-N 1 3 323.569 3.693 20 0 DHADHO CC(C)C[C@@H]1CCCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192745322 1035816893 /nfs/dbraw/zinc/81/68/93/1035816893.db2.gz TXAIAOOKDPYVKA-FQEVSTJZSA-N 1 3 323.569 3.693 20 0 DHADHO C[NH+]1CCC(C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001203800241 1035990368 /nfs/dbraw/zinc/99/03/68/1035990368.db2.gz NOPQFPRLLMIMPL-UHFFFAOYSA-N 1 3 306.881 3.894 20 0 DHADHO Cc1ccc([C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)C2CCCC2)o1 ZINC000540474586 1036076290 /nfs/dbraw/zinc/07/62/90/1036076290.db2.gz CEBYSSHXYCYWJS-DNVCBOLYSA-N 1 3 302.462 3.893 20 0 DHADHO Clc1cccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000250105483 1036247830 /nfs/dbraw/zinc/24/78/30/1036247830.db2.gz DFSTWUDCDJORPA-STCOUPBVSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1cccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000250105483 1036247844 /nfs/dbraw/zinc/24/78/44/1036247844.db2.gz DFSTWUDCDJORPA-STCOUPBVSA-N 1 3 304.865 3.802 20 0 DHADHO C[C@H](NCCOC1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601702 1036387137 /nfs/dbraw/zinc/38/71/37/1036387137.db2.gz NBIFVNRUUXCIPN-ZWKOTPCHSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@H](NCCOC1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601702 1036387155 /nfs/dbraw/zinc/38/71/55/1036387155.db2.gz NBIFVNRUUXCIPN-ZWKOTPCHSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@H]([NH2+]CCOC1CCCCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000541601702 1036387173 /nfs/dbraw/zinc/38/71/73/1036387173.db2.gz NBIFVNRUUXCIPN-ZWKOTPCHSA-N 1 3 322.537 3.968 20 0 DHADHO Cc1cc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)sc1Br ZINC000491549421 1036601497 /nfs/dbraw/zinc/60/14/97/1036601497.db2.gz VOFTXWSYQVJEST-KOLCDFICSA-N 1 3 319.312 3.667 20 0 DHADHO Clc1ccc([C@@H]2C[C@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168372663 1036639624 /nfs/dbraw/zinc/63/96/24/1036639624.db2.gz ZUEDLCSYYBNZIP-ZWKOTPCHSA-N 1 3 304.865 3.660 20 0 DHADHO CC1CC[NH+](CC[C@@H]2CCCN2CCCOC(C)(C)C)CC1 ZINC001196936506 1036653246 /nfs/dbraw/zinc/65/32/46/1036653246.db2.gz TUHOBCDQGLZMDO-SFHVURJKSA-N 1 3 310.526 3.778 20 0 DHADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCCOC(C)(C)C)CC1 ZINC001196936506 1036653257 /nfs/dbraw/zinc/65/32/57/1036653257.db2.gz TUHOBCDQGLZMDO-SFHVURJKSA-N 1 3 310.526 3.778 20 0 DHADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCCOC(C)(C)C)CC1 ZINC001196936506 1036653266 /nfs/dbraw/zinc/65/32/66/1036653266.db2.gz TUHOBCDQGLZMDO-SFHVURJKSA-N 1 3 310.526 3.778 20 0 DHADHO CN(CCCC[NH+]1CCCCC1)Cc1cnc2ccccc2c1 ZINC001197284384 1036737954 /nfs/dbraw/zinc/73/79/54/1036737954.db2.gz IIOWMMAPBZJLLS-UHFFFAOYSA-N 1 3 311.473 3.933 20 0 DHADHO C[C@H]1CN(CCCC2CCCCC2)CCN1c1cc[nH+]cc1 ZINC001197378417 1036768803 /nfs/dbraw/zinc/76/88/03/1036768803.db2.gz ZBOMZBZXISEARV-KRWDZBQOSA-N 1 3 301.478 3.953 20 0 DHADHO C[C@H]1C[N@H+](CCCC2CCCCC2)CCN1c1ccncc1 ZINC001197378417 1036768824 /nfs/dbraw/zinc/76/88/24/1036768824.db2.gz ZBOMZBZXISEARV-KRWDZBQOSA-N 1 3 301.478 3.953 20 0 DHADHO C[C@H]1C[N@@H+](CCCC2CCCCC2)CCN1c1ccncc1 ZINC001197378417 1036768843 /nfs/dbraw/zinc/76/88/43/1036768843.db2.gz ZBOMZBZXISEARV-KRWDZBQOSA-N 1 3 301.478 3.953 20 0 DHADHO Cc1cc(CN2CCC[C@@](C)([NH3+])CC2)cc(C)c1OC(C)C ZINC001205297019 1036838804 /nfs/dbraw/zinc/83/88/04/1036838804.db2.gz WYQVLLIADYESND-LJQANCHMSA-N 1 3 304.478 3.794 20 0 DHADHO Cc1cc(CN2CCC[C@](C)([NH3+])CC2)cc(C)c1OC(C)C ZINC001205297018 1036843979 /nfs/dbraw/zinc/84/39/79/1036843979.db2.gz WYQVLLIADYESND-IBGZPJMESA-N 1 3 304.478 3.794 20 0 DHADHO CC[NH+]1CCC(CNCc2cc(Cl)sc2Cl)CC1 ZINC000312611203 1036922292 /nfs/dbraw/zinc/92/22/92/1036922292.db2.gz ISBCCIQOVZJLQP-UHFFFAOYSA-N 1 3 307.290 3.876 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccc(-c3cccnc3)cc2)CC1 ZINC000153389423 1036975880 /nfs/dbraw/zinc/97/58/80/1036975880.db2.gz VKUUDGGEUQJAPP-UHFFFAOYSA-N 1 3 309.457 3.713 20 0 DHADHO CCCCN1CCC([NH2+]Cc2cccc(OCCC)c2)CC1 ZINC000236760168 1036980525 /nfs/dbraw/zinc/98/05/25/1036980525.db2.gz RMQIETMVPSWGGU-UHFFFAOYSA-N 1 3 304.478 3.830 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCCc2ccccc2C1)CN1CCCCC1 ZINC001199580947 1037285788 /nfs/dbraw/zinc/28/57/88/1037285788.db2.gz DNEYNKAPCZAXDF-YLJYHZDGSA-N 1 3 300.490 3.646 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(F)c1 ZINC000397999099 1037577333 /nfs/dbraw/zinc/57/73/33/1037577333.db2.gz DHMRIXGQCBFADQ-UZLBHIALSA-N 1 3 312.432 3.826 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(F)c1 ZINC000397999099 1037577345 /nfs/dbraw/zinc/57/73/45/1037577345.db2.gz DHMRIXGQCBFADQ-UZLBHIALSA-N 1 3 312.432 3.826 20 0 DHADHO CC[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000490178271 1037629763 /nfs/dbraw/zinc/62/97/63/1037629763.db2.gz KWQWNUOUQVDGOD-NVXWUHKLSA-N 1 3 307.457 3.916 20 0 DHADHO CC[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000490178271 1037629775 /nfs/dbraw/zinc/62/97/75/1037629775.db2.gz KWQWNUOUQVDGOD-NVXWUHKLSA-N 1 3 307.457 3.916 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000037644170 1037837962 /nfs/dbraw/zinc/83/79/62/1037837962.db2.gz XWGIBMOGXBUECZ-RYUDHWBXSA-N 1 3 301.261 3.986 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)ccc1OC ZINC000775381105 1038309058 /nfs/dbraw/zinc/30/90/58/1038309058.db2.gz ATYRKAHTEUURPK-YQQAZPJKSA-N 1 3 304.478 3.844 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1CN1CCCCC1 ZINC000775383733 1038310263 /nfs/dbraw/zinc/31/02/63/1038310263.db2.gz PGZPQEAWIPFLRD-SOLBZPMBSA-N 1 3 316.489 3.988 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC000572205353 1038351112 /nfs/dbraw/zinc/35/11/12/1038351112.db2.gz FDZUUCJCROIIRQ-IXDOHACOSA-N 1 3 304.478 3.507 20 0 DHADHO c1ccc2c(c1)CC(C[NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000572212218 1038351707 /nfs/dbraw/zinc/35/17/07/1038351707.db2.gz ZLEAAIDKWHOZHM-UHFFFAOYSA-N 1 3 312.501 3.788 20 0 DHADHO C[C@@H]1SCCN(Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C ZINC001191022162 1038421936 /nfs/dbraw/zinc/42/19/36/1038421936.db2.gz PWSPZKKPZHUYHS-IRXDYDNUSA-N 1 3 318.530 3.998 20 0 DHADHO C[C@H]1CCN(Cc2cccc(Cl)c2Cl)CC[C@H]1C[NH3+] ZINC001205603573 1038685688 /nfs/dbraw/zinc/68/56/88/1038685688.db2.gz QKUHREYCUBCGRS-RYUDHWBXSA-N 1 3 301.261 3.800 20 0 DHADHO C[NH+](C)[C@H](CNc1ccnc2ccccc21)c1ccc(F)cc1 ZINC000599532827 1039199435 /nfs/dbraw/zinc/19/94/35/1039199435.db2.gz XDXZLJWCQRXDNO-LJQANCHMSA-N 1 3 309.388 3.511 20 0 DHADHO CCSC1(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000595100608 1040063705 /nfs/dbraw/zinc/06/37/05/1040063705.db2.gz SOULILAZSYYDAE-RDJZCZTQSA-N 1 3 310.551 3.905 20 0 DHADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCCCCCO)C1 ZINC000173748853 1040401673 /nfs/dbraw/zinc/40/16/73/1040401673.db2.gz QVXCFTGGBVMPBH-RBUKOAKNSA-N 1 3 310.526 3.516 20 0 DHADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCCCCCO)C1 ZINC000173748853 1040401686 /nfs/dbraw/zinc/40/16/86/1040401686.db2.gz QVXCFTGGBVMPBH-RBUKOAKNSA-N 1 3 310.526 3.516 20 0 DHADHO CO[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Cl)cc1 ZINC000285367870 131161377 /nfs/dbraw/zinc/16/13/77/131161377.db2.gz BYQYSWYALOTDMK-WFFDWFOESA-N 1 3 322.880 3.585 20 0 DHADHO CO[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Cl)cc1 ZINC000285367870 131161378 /nfs/dbraw/zinc/16/13/78/131161378.db2.gz BYQYSWYALOTDMK-WFFDWFOESA-N 1 3 322.880 3.585 20 0 DHADHO C[C@H](c1ccccn1)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285614901 131186454 /nfs/dbraw/zinc/18/64/54/131186454.db2.gz QHLIZXZCHZWVBJ-WIYYLYMNSA-N 1 3 321.468 3.741 20 0 DHADHO C[C@H](c1ccccn1)[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285614901 131186455 /nfs/dbraw/zinc/18/64/55/131186455.db2.gz QHLIZXZCHZWVBJ-WIYYLYMNSA-N 1 3 321.468 3.741 20 0 DHADHO Cc1ccnc([C@H](C)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000285853113 131206568 /nfs/dbraw/zinc/20/65/68/131206568.db2.gz XYJRYRZEUJZFNA-KURKYZTESA-N 1 3 303.494 3.799 20 0 DHADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1F ZINC000340471206 131846964 /nfs/dbraw/zinc/84/69/64/131846964.db2.gz SYIJRHYKDWZXQK-BZUAXINKSA-N 1 3 307.457 3.629 20 0 DHADHO C=Cc1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297444205 132015435 /nfs/dbraw/zinc/01/54/35/132015435.db2.gz OLRFCNDZPUMPDH-UHFFFAOYSA-N 1 3 307.441 3.526 20 0 DHADHO CCC[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000297439987 132015459 /nfs/dbraw/zinc/01/54/59/132015459.db2.gz WBIKTHMBVOWCGU-YRPNKDGESA-N 1 3 316.489 3.587 20 0 DHADHO CCC[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000297439987 132015460 /nfs/dbraw/zinc/01/54/60/132015460.db2.gz WBIKTHMBVOWCGU-YRPNKDGESA-N 1 3 316.489 3.587 20 0 DHADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H](C)c1ccccc1 ZINC000297592161 132023864 /nfs/dbraw/zinc/02/38/64/132023864.db2.gz JGYZOUUOHSUWGD-SJORKVTESA-N 1 3 309.457 3.832 20 0 DHADHO Fc1cccc(Cl)c1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000298267236 132053966 /nfs/dbraw/zinc/05/39/66/132053966.db2.gz GDEIVIJDFHINHV-UHFFFAOYSA-N 1 3 319.811 3.633 20 0 DHADHO C[C@H](CC[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298330517 132056676 /nfs/dbraw/zinc/05/66/76/132056676.db2.gz ITCRHRARIYOUFP-QGZVFWFLSA-N 1 3 309.457 3.834 20 0 DHADHO CC(C)C(C[NH2+]CC1CCN(c2ccncc2)CC1)C(C)C ZINC000556415058 331701863 /nfs/dbraw/zinc/70/18/63/331701863.db2.gz MITPTROSVFQKMQ-UHFFFAOYSA-N 1 3 303.494 3.816 20 0 DHADHO CC(C)COc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000559312599 332023525 /nfs/dbraw/zinc/02/35/25/332023525.db2.gz XNDULHBDCGLIFZ-FQEVSTJZSA-N 1 3 316.489 3.639 20 0 DHADHO CC(C)COc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000559312599 332023526 /nfs/dbraw/zinc/02/35/26/332023526.db2.gz XNDULHBDCGLIFZ-FQEVSTJZSA-N 1 3 316.489 3.639 20 0 DHADHO Cc1cccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000162596042 332942059 /nfs/dbraw/zinc/94/20/59/332942059.db2.gz UATGWXIEJPKACX-QGZVFWFLSA-N 1 3 312.457 3.786 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2ccccc2)C2CC2)C[C@H](C)O1 ZINC000091311195 332103568 /nfs/dbraw/zinc/10/35/68/332103568.db2.gz GZJSAOINMRYRAC-QKLQHJQFSA-N 1 3 316.489 3.617 20 0 DHADHO COc1cc(C)cc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559787062 332282127 /nfs/dbraw/zinc/28/21/27/332282127.db2.gz MHSULWANCKTXAX-PZJWPPBQSA-N 1 3 324.468 3.929 20 0 DHADHO COc1cc(C)cc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559787062 332282128 /nfs/dbraw/zinc/28/21/28/332282128.db2.gz MHSULWANCKTXAX-PZJWPPBQSA-N 1 3 324.468 3.929 20 0 DHADHO CCCCN(C)C[C@H](C)[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000559858793 332286142 /nfs/dbraw/zinc/28/61/42/332286142.db2.gz VUWYZSRXAITMOF-IHPCNDPISA-N 1 3 317.521 3.532 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)C1 ZINC000560245152 332322896 /nfs/dbraw/zinc/32/28/96/332322896.db2.gz HMGNSQYBRXCQSS-QRQLOZEOSA-N 1 3 316.489 3.554 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)C1 ZINC000560245152 332322897 /nfs/dbraw/zinc/32/28/97/332322897.db2.gz HMGNSQYBRXCQSS-QRQLOZEOSA-N 1 3 316.489 3.554 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)C1 ZINC000560245152 332322898 /nfs/dbraw/zinc/32/28/98/332322898.db2.gz HMGNSQYBRXCQSS-QRQLOZEOSA-N 1 3 316.489 3.554 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cccc(-c3ccccn3)c2)[C@H]2CCC[C@H]21 ZINC000560542732 332355720 /nfs/dbraw/zinc/35/57/20/332355720.db2.gz GEPUMOKWPLLYJU-HLAWJBBLSA-N 1 3 321.468 3.711 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cccc(-c3ccccn3)c2)[C@H]2CCC[C@H]21 ZINC000560542732 332355721 /nfs/dbraw/zinc/35/57/21/332355721.db2.gz GEPUMOKWPLLYJU-HLAWJBBLSA-N 1 3 321.468 3.711 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Oc1ccccc1C ZINC000560544549 332356312 /nfs/dbraw/zinc/35/63/12/332356312.db2.gz QCOSUAVNYVVGAP-FCGDIQPGSA-N 1 3 316.489 3.615 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Oc1ccccc1C ZINC000560544549 332356314 /nfs/dbraw/zinc/35/63/14/332356314.db2.gz QCOSUAVNYVVGAP-FCGDIQPGSA-N 1 3 316.489 3.615 20 0 DHADHO C[C@H]([NH3+])C1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000110644704 333039754 /nfs/dbraw/zinc/03/97/54/333039754.db2.gz WREKELNMOBRGPB-NSHDSACASA-N 1 3 318.408 3.858 20 0 DHADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(OC(F)F)c1 ZINC000019992361 333295001 /nfs/dbraw/zinc/29/50/01/333295001.db2.gz NXVRSORDAZMDKL-LBPRGKRZSA-N 1 3 300.393 3.526 20 0 DHADHO CC[NH+]1CCC(CCN[C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000497824462 333297727 /nfs/dbraw/zinc/29/77/27/333297727.db2.gz ZTJXSROTUVBFBZ-SFHVURJKSA-N 1 3 307.457 3.629 20 0 DHADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(-c2ccccc2)cc1 ZINC000323466797 333338424 /nfs/dbraw/zinc/33/84/24/333338424.db2.gz WHEWFHGRFXJSQJ-KRWDZBQOSA-N 1 3 312.457 3.582 20 0 DHADHO FC(F)(F)c1cccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000521436485 333384759 /nfs/dbraw/zinc/38/47/59/333384759.db2.gz YOMAFRMNULPFSG-OAHLLOKOSA-N 1 3 312.379 3.527 20 0 DHADHO [NH3+]Cc1ccc(CN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000571088578 333658554 /nfs/dbraw/zinc/65/85/54/333658554.db2.gz WCGNFJDOCLAVDW-MRXNPFEDSA-N 1 3 302.418 3.611 20 0 DHADHO C[NH2+]C1CCN(CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000414670027 334064320 /nfs/dbraw/zinc/06/43/20/334064320.db2.gz KEBPZALONMVXGM-UHFFFAOYSA-N 1 3 322.496 3.772 20 0 DHADHO CNC1CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000414670027 334064322 /nfs/dbraw/zinc/06/43/22/334064322.db2.gz KEBPZALONMVXGM-UHFFFAOYSA-N 1 3 322.496 3.772 20 0 DHADHO COc1ccc(-c2ccccc2)cc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000414677614 334066954 /nfs/dbraw/zinc/06/69/54/334066954.db2.gz UWCIVZCVBRUFQT-INIZCTEOSA-N 1 3 324.468 3.921 20 0 DHADHO C[N@H+](CCCN1CCCC1)Cc1cccc(-c2cccnc2)c1 ZINC000343601038 335176030 /nfs/dbraw/zinc/17/60/30/335176030.db2.gz JTYJUDORGHZWTO-UHFFFAOYSA-N 1 3 309.457 3.666 20 0 DHADHO C[N@@H+](CCCN1CCCC1)Cc1cccc(-c2cccnc2)c1 ZINC000343601038 335176032 /nfs/dbraw/zinc/17/60/32/335176032.db2.gz JTYJUDORGHZWTO-UHFFFAOYSA-N 1 3 309.457 3.666 20 0 DHADHO FC(F)(F)c1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414777297 334092167 /nfs/dbraw/zinc/09/21/67/334092167.db2.gz HZEPQUYNELCWHA-NWDGAFQWSA-N 1 3 318.408 3.588 20 0 DHADHO FC(F)(F)c1cccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414781187 334093508 /nfs/dbraw/zinc/09/35/08/334093508.db2.gz MRKMJCWPXVEMCI-CABCVRRESA-N 1 3 312.379 3.527 20 0 DHADHO Cc1ccc(-c2ncc(CN[C@H]3CCCC[C@@H]3C[NH3+])s2)cc1 ZINC000414811403 334105860 /nfs/dbraw/zinc/10/58/60/334105860.db2.gz WCJQNIROBOBGMI-WBVHZDCISA-N 1 3 315.486 3.726 20 0 DHADHO C[C@H]([NH2+]CCCc1c(Cl)cccc1Cl)[C@H]1CCCNC1 ZINC000414820918 334108478 /nfs/dbraw/zinc/10/84/78/334108478.db2.gz KMCUDQQDXYZIRF-STQMWFEESA-N 1 3 315.288 3.904 20 0 DHADHO C[C@H](NCCCc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414820918 334108479 /nfs/dbraw/zinc/10/84/79/334108479.db2.gz KMCUDQQDXYZIRF-STQMWFEESA-N 1 3 315.288 3.904 20 0 DHADHO NC[C@@H]([NH2+]Cc1cnc(C2CCCC2)s1)C1CCCCC1 ZINC000414831089 334110548 /nfs/dbraw/zinc/11/05/48/334110548.db2.gz BXXOCYRSKRIMEB-MRXNPFEDSA-N 1 3 307.507 3.798 20 0 DHADHO Clc1ccc([C@H]2CCC[C@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414840163 334112417 /nfs/dbraw/zinc/11/24/17/334112417.db2.gz XYUCCAKUDATMRD-ZFHLEULCSA-N 1 3 304.865 3.849 20 0 DHADHO CC(C)c1ccc([C@H](N)CNC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000414843246 334113165 /nfs/dbraw/zinc/11/31/65/334113165.db2.gz JQIIYDICWVPLFR-LJQANCHMSA-N 1 3 317.521 3.662 20 0 DHADHO C[C@@H](Cc1c(Cl)cccc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000414852653 334127103 /nfs/dbraw/zinc/12/71/03/334127103.db2.gz KFERXEZAGOBOIG-RYUDHWBXSA-N 1 3 301.261 3.514 20 0 DHADHO CNCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414862184 334133108 /nfs/dbraw/zinc/13/31/08/334133108.db2.gz VCSWEQIYUPAHQD-LSDHHAIUSA-N 1 3 300.368 3.541 20 0 DHADHO C[NH2+]CCCN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414862184 334133110 /nfs/dbraw/zinc/13/31/10/334133110.db2.gz VCSWEQIYUPAHQD-LSDHHAIUSA-N 1 3 300.368 3.541 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c(C)c1OC ZINC000286248151 334152348 /nfs/dbraw/zinc/15/23/48/334152348.db2.gz UGTFFVBSHUBCGV-ARFHVFGLSA-N 1 3 320.477 3.536 20 0 DHADHO COc1ccc(C2CCC([NH2+]C[C@]3(C)CCCNC3)CC2)cc1 ZINC000414901389 334164905 /nfs/dbraw/zinc/16/49/05/334164905.db2.gz FWRULBPXRNXJHT-OUNSHVDWSA-N 1 3 316.489 3.701 20 0 DHADHO CC1([NH2+]CC(Cc2ccccc2)Cc2ccccc2)CCNCC1 ZINC000414944436 334204081 /nfs/dbraw/zinc/20/40/81/334204081.db2.gz PSIBQVWKPROEEZ-UHFFFAOYSA-N 1 3 322.496 3.820 20 0 DHADHO C[C@H]1CNCC[C@H]1[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000414945825 334204964 /nfs/dbraw/zinc/20/49/64/334204964.db2.gz SFHWUYCYMUBFLR-BLLLJJGKSA-N 1 3 315.288 3.904 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC[C@H]21 ZINC000187468825 334208806 /nfs/dbraw/zinc/20/88/06/334208806.db2.gz YEBUHHQDCSPDPX-CWJKEVGVSA-N 1 3 312.501 3.913 20 0 DHADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC[C@H]21 ZINC000187468825 334208807 /nfs/dbraw/zinc/20/88/07/334208807.db2.gz YEBUHHQDCSPDPX-CWJKEVGVSA-N 1 3 312.501 3.913 20 0 DHADHO C[C@@H]1C[C@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)CCN1 ZINC000414961285 334212707 /nfs/dbraw/zinc/21/27/07/334212707.db2.gz YSETWARPLBBATL-YLJYHZDGSA-N 1 3 308.469 3.571 20 0 DHADHO Cc1ccc(-c2ccc(C[NH2+][C@H]3CCNC[C@H]3C)s2)cc1 ZINC000414964369 334213526 /nfs/dbraw/zinc/21/35/26/334213526.db2.gz VAJBEQALSZHKAX-PBHICJAKSA-N 1 3 300.471 3.811 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414968222 334215153 /nfs/dbraw/zinc/21/51/53/334215153.db2.gz YEZHMGHEMIZFSS-WBMJQRKESA-N 1 3 304.434 3.642 20 0 DHADHO C[C@@H]1CNCC[C@H]1[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414968220 334215341 /nfs/dbraw/zinc/21/53/41/334215341.db2.gz YEZHMGHEMIZFSS-MLGOLLRUSA-N 1 3 304.434 3.642 20 0 DHADHO Cc1cc(N)cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000414968642 334215559 /nfs/dbraw/zinc/21/55/59/334215559.db2.gz SBRTYOIXJUFLBP-DYESRHJHSA-N 1 3 323.484 3.720 20 0 DHADHO Cc1cc(N)cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000414968642 334215562 /nfs/dbraw/zinc/21/55/62/334215562.db2.gz SBRTYOIXJUFLBP-DYESRHJHSA-N 1 3 323.484 3.720 20 0 DHADHO Cc1cnc(CNCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000295245199 334221112 /nfs/dbraw/zinc/22/11/12/334221112.db2.gz TUCVBYMASIYVHM-UHFFFAOYSA-N 1 3 321.515 3.515 20 0 DHADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1ccc(F)c(Cl)c1Cl ZINC000414992648 334231551 /nfs/dbraw/zinc/23/15/51/334231551.db2.gz KTFDPWMPDAZVHU-VJQLOYKJSA-N 1 3 317.235 3.738 20 0 DHADHO Fc1ccccc1-c1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)o1 ZINC000415003339 334241493 /nfs/dbraw/zinc/24/14/93/334241493.db2.gz FUKZYLUDHJGDFE-FUHWJXTLSA-N 1 3 314.404 3.563 20 0 DHADHO [NH3+]CCC[C@@H](NCc1cccc(OC(F)F)c1)c1ccccc1 ZINC000415050582 334258991 /nfs/dbraw/zinc/25/89/91/334258991.db2.gz IPAKIFJQWSVFQW-QGZVFWFLSA-N 1 3 320.383 3.858 20 0 DHADHO c1sc2ccccc2c1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415038514 334260686 /nfs/dbraw/zinc/26/06/86/334260686.db2.gz HWGWHJKRRAZSMD-WMLDXEAASA-N 1 3 300.471 3.865 20 0 DHADHO COc1ccc2cc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000415042050 334260922 /nfs/dbraw/zinc/26/09/22/334260922.db2.gz MAFPDDHKBATDTL-CTNGQTDRSA-N 1 3 324.468 3.812 20 0 DHADHO [NH3+]CCC[C@H](NCc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000415061839 334262335 /nfs/dbraw/zinc/26/23/35/334262335.db2.gz YUWWQUWOFNCDFD-SFHVURJKSA-N 1 3 321.424 3.510 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000415102122 334282438 /nfs/dbraw/zinc/28/24/38/334282438.db2.gz JJHLIQXYGZCLKU-BGIURUKPSA-N 1 3 308.416 3.579 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000415102125 334282488 /nfs/dbraw/zinc/28/24/88/334282488.db2.gz JJHLIQXYGZCLKU-UOAMXJAYSA-N 1 3 308.416 3.579 20 0 DHADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415101829 334282527 /nfs/dbraw/zinc/28/25/27/334282527.db2.gz IIUYEFSDERAHFA-IOASZLSFSA-N 1 3 314.395 3.929 20 0 DHADHO CC(C)c1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415130713 334285657 /nfs/dbraw/zinc/28/56/57/334285657.db2.gz RLIGGYBNTXGWEJ-UXHICEINSA-N 1 3 316.489 3.528 20 0 DHADHO CCCOc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000535067797 334363205 /nfs/dbraw/zinc/36/32/05/334363205.db2.gz LGOKLZNDUXIUQL-UHFFFAOYSA-N 1 3 316.489 3.783 20 0 DHADHO CCSCCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000340903247 334389722 /nfs/dbraw/zinc/38/97/22/334389722.db2.gz NATBXLXKNONJJP-IBGZPJMESA-N 1 3 318.530 3.728 20 0 DHADHO CCSCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000340903247 334389724 /nfs/dbraw/zinc/38/97/24/334389724.db2.gz NATBXLXKNONJJP-IBGZPJMESA-N 1 3 318.530 3.728 20 0 DHADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CCC(C)(C)C3)cc2)CC1 ZINC000342808071 334578614 /nfs/dbraw/zinc/57/86/14/334578614.db2.gz KEMQSMRWLIDNLB-QGZVFWFLSA-N 1 3 316.489 3.828 20 0 DHADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CCC(C)(C)C3)cc2)CC1 ZINC000342808070 334578694 /nfs/dbraw/zinc/57/86/94/334578694.db2.gz KEMQSMRWLIDNLB-KRWDZBQOSA-N 1 3 316.489 3.828 20 0 DHADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CCCC3(C)C)cc2)CC1 ZINC000342815224 334580157 /nfs/dbraw/zinc/58/01/57/334580157.db2.gz ZNEBKHORTKAXOJ-LJQANCHMSA-N 1 3 316.489 3.828 20 0 DHADHO Oc1ccc(C2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000343634756 335183453 /nfs/dbraw/zinc/18/34/53/335183453.db2.gz UKJWGNMRAKPQCG-FYOYPEGLSA-N 1 3 314.473 3.635 20 0 DHADHO Oc1ccc(C2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000343634755 335183479 /nfs/dbraw/zinc/18/34/79/335183479.db2.gz UKJWGNMRAKPQCG-AWRGBYNESA-N 1 3 314.473 3.635 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN(C)C)cc2)C12CCCC2 ZINC000344113806 335218275 /nfs/dbraw/zinc/21/82/75/335218275.db2.gz MSUWRDFJZUJQRJ-RBUKOAKNSA-N 1 3 316.489 3.576 20 0 DHADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CN(C)C)cc2)C12CCCC2 ZINC000344113804 335218354 /nfs/dbraw/zinc/21/83/54/335218354.db2.gz MSUWRDFJZUJQRJ-OALUTQOASA-N 1 3 316.489 3.576 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)c3ncccc3c2)[C@@H](C)C1 ZINC000346221214 335385775 /nfs/dbraw/zinc/38/57/75/335385775.db2.gz OADUYJJTXFHFKQ-QFBILLFUSA-N 1 3 311.473 3.705 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)c3ncccc3c2)[C@@H](C)C1 ZINC000346221214 335385776 /nfs/dbraw/zinc/38/57/76/335385776.db2.gz OADUYJJTXFHFKQ-QFBILLFUSA-N 1 3 311.473 3.705 20 0 DHADHO c1ccc([C@H]2C[C@H]2C[NH2+]CC2CCN(c3ccncc3)CC2)cc1 ZINC000417955218 336031014 /nfs/dbraw/zinc/03/10/14/336031014.db2.gz CUXKTWKSIOISGA-PZJWPPBQSA-N 1 3 321.468 3.691 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@@H](NCC2([NH3+])CCCCC2)C1 ZINC000333337871 336202060 /nfs/dbraw/zinc/20/20/60/336202060.db2.gz XKSJMXSTFKSCIG-IAGOWNOFSA-N 1 3 301.478 3.667 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000333342011 336202119 /nfs/dbraw/zinc/20/21/19/336202119.db2.gz YHTIGSRUVJJYOR-BDXSIMOUSA-N 1 3 301.478 3.523 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1F ZINC000352553649 336224378 /nfs/dbraw/zinc/22/43/78/336224378.db2.gz CUSGJNHAJVNPBQ-MDZRGWNJSA-N 1 3 322.468 3.756 20 0 DHADHO CO[C@H](C)[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000482634754 336324235 /nfs/dbraw/zinc/32/42/35/336324235.db2.gz VEDGMHKRPHEVBJ-HUUCEWRRSA-N 1 3 324.896 3.565 20 0 DHADHO COc1ccccc1[C@H](CNc1cc[nH+]c(C)c1)N1CCCC1 ZINC000302257261 336356327 /nfs/dbraw/zinc/35/63/27/336356327.db2.gz CGJGSFQWOAWDDF-SFHVURJKSA-N 1 3 311.429 3.648 20 0 DHADHO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000352964487 336379631 /nfs/dbraw/zinc/37/96/31/336379631.db2.gz BODXMDJPCJYMJX-BJLQDIEVSA-N 1 3 323.484 3.951 20 0 DHADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000193145577 336444182 /nfs/dbraw/zinc/44/41/82/336444182.db2.gz KTSXPVQNCGBNSA-CRAIPNDOSA-N 1 3 301.478 3.712 20 0 DHADHO C[C@H](CC1CC1)[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000368401979 336844050 /nfs/dbraw/zinc/84/40/50/336844050.db2.gz IAHMJVKKOYXQAC-CRAIPNDOSA-N 1 3 314.473 3.753 20 0 DHADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@@H]2CCCSC2)CC1 ZINC000376821245 337042033 /nfs/dbraw/zinc/04/20/33/337042033.db2.gz XEFUFTJEZZEZKT-RYRKJORJSA-N 1 3 310.551 3.762 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCCSC2)CC1 ZINC000376821245 337042034 /nfs/dbraw/zinc/04/20/34/337042034.db2.gz XEFUFTJEZZEZKT-RYRKJORJSA-N 1 3 310.551 3.762 20 0 DHADHO CN1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@@H]1c1ccccc1 ZINC000377766728 337060378 /nfs/dbraw/zinc/06/03/78/337060378.db2.gz ZUGOYYOBCPVQIW-APWZRJJASA-N 1 3 316.395 3.747 20 0 DHADHO COc1cc([C@H](C)N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1F ZINC000377893511 337063504 /nfs/dbraw/zinc/06/35/04/337063504.db2.gz JYJMIQWGPYHWGN-YOEHRIQHSA-N 1 3 320.452 3.559 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)C(C)(C)C ZINC000378440656 337072776 /nfs/dbraw/zinc/07/27/76/337072776.db2.gz DAOSDVQJLJSIAY-NVXWUHKLSA-N 1 3 316.489 3.999 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)CC3 ZINC000378491742 337074199 /nfs/dbraw/zinc/07/41/99/337074199.db2.gz GOSBESUDNYHHBW-BRWVUGGUSA-N 1 3 323.484 3.550 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC3 ZINC000378491742 337074200 /nfs/dbraw/zinc/07/42/00/337074200.db2.gz GOSBESUDNYHHBW-BRWVUGGUSA-N 1 3 323.484 3.550 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC3 ZINC000378491742 337074201 /nfs/dbraw/zinc/07/42/01/337074201.db2.gz GOSBESUDNYHHBW-BRWVUGGUSA-N 1 3 323.484 3.550 20 0 DHADHO C[NH+](C)CCC1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000582633007 337116505 /nfs/dbraw/zinc/11/65/05/337116505.db2.gz KUOOJSKXLHCYMU-ONEGZZNKSA-N 1 3 308.416 3.642 20 0 DHADHO Brc1cccc([C@@H]2CCCN2CC2CC[NH2+]CC2)c1 ZINC000178958053 337166576 /nfs/dbraw/zinc/16/65/76/337166576.db2.gz MZWUEFZGEXSSRS-INIZCTEOSA-N 1 3 323.278 3.586 20 0 DHADHO CCc1nc(C)c([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)s1 ZINC000177835947 337160680 /nfs/dbraw/zinc/16/06/80/337160680.db2.gz VEBOZJMOJMPAMN-ZDUSSCGKSA-N 1 3 309.523 3.785 20 0 DHADHO Fc1cccc(F)c1CN(CC1CC[NH2+]CC1)C1CCCC1 ZINC000178972362 337166616 /nfs/dbraw/zinc/16/66/16/337166616.db2.gz KAULGDBANHECDQ-UHFFFAOYSA-N 1 3 308.416 3.709 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000583170609 337251014 /nfs/dbraw/zinc/25/10/14/337251014.db2.gz FONCQUWJUPCEOS-SUMDDJOVSA-N 1 3 304.453 3.563 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000583170609 337251015 /nfs/dbraw/zinc/25/10/15/337251015.db2.gz FONCQUWJUPCEOS-SUMDDJOVSA-N 1 3 304.453 3.563 20 0 DHADHO CCC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccsc1 ZINC000187726666 337269600 /nfs/dbraw/zinc/26/96/00/337269600.db2.gz BQWDWQFQVJMPTH-MAUKXSAKSA-N 1 3 322.518 3.680 20 0 DHADHO Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398144231 337307226 /nfs/dbraw/zinc/30/72/26/337307226.db2.gz NIWLZNYMUCHYSW-GHTZIAJQSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398144231 337307227 /nfs/dbraw/zinc/30/72/27/337307227.db2.gz NIWLZNYMUCHYSW-GHTZIAJQSA-N 1 3 308.469 3.995 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000584437479 337325196 /nfs/dbraw/zinc/32/51/96/337325196.db2.gz KSTSIVBVSHGJEU-LPHOPBHVSA-N 1 3 318.480 3.811 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000584437479 337325197 /nfs/dbraw/zinc/32/51/97/337325197.db2.gz KSTSIVBVSHGJEU-LPHOPBHVSA-N 1 3 318.480 3.811 20 0 DHADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000584665186 337379761 /nfs/dbraw/zinc/37/97/61/337379761.db2.gz CLSBDPXMWJMFFE-VUHPKUFZSA-N 1 3 302.462 3.545 20 0 DHADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000119267166 337394519 /nfs/dbraw/zinc/39/45/19/337394519.db2.gz CIKSBWQDXBXNEX-KBAYOESNSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cncc(F)c1 ZINC000247146877 337558052 /nfs/dbraw/zinc/55/80/52/337558052.db2.gz SQOGUWCSALNNOO-BZUAXINKSA-N 1 3 307.457 3.629 20 0 DHADHO Cc1cccc2[nH]cc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c21 ZINC000422711811 337683792 /nfs/dbraw/zinc/68/37/92/337683792.db2.gz HKNFNXTXVDWYOZ-RCCFBDPRSA-N 1 3 311.473 3.529 20 0 DHADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772409 337685861 /nfs/dbraw/zinc/68/58/61/337685861.db2.gz YHZCYICHDMIJSB-JCKWVBRZSA-N 1 3 314.454 3.655 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422786313 337686598 /nfs/dbraw/zinc/68/65/98/337686598.db2.gz KTYQWVADXXCTHL-LAVFITLUSA-N 1 3 304.503 3.678 20 0 DHADHO c1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790993 337686699 /nfs/dbraw/zinc/68/66/99/337686699.db2.gz CSHLVFXQBCSDFQ-ZVDOUQERSA-N 1 3 320.436 3.519 20 0 DHADHO Cc1ccc(O[C@H](C)CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422795367 337687031 /nfs/dbraw/zinc/68/70/31/337687031.db2.gz VJRRFNJOBQLXFA-BTHPGYMESA-N 1 3 316.489 3.663 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1nc(C2CCCCC2)cs1 ZINC000422912783 337691038 /nfs/dbraw/zinc/69/10/38/337691038.db2.gz OASTUACGIBLRKV-GOEBONIOSA-N 1 3 321.534 3.711 20 0 DHADHO C(=C/c1ccccc1)\CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422983552 337693714 /nfs/dbraw/zinc/69/37/14/337693714.db2.gz ZXKUKINPGWHDFY-KJRVTTDBSA-N 1 3 320.436 3.545 20 0 DHADHO Cc1oc2ccccc2c1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423056558 337697462 /nfs/dbraw/zinc/69/74/62/337697462.db2.gz YKHTYTQGBYHUQI-GFCCVEGCSA-N 1 3 309.413 3.754 20 0 DHADHO Cc1cc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1-c1ccccc1 ZINC000423066785 337698071 /nfs/dbraw/zinc/69/80/71/337698071.db2.gz XWGBNBGYKUMDOQ-TYCQWZJGSA-N 1 3 324.468 3.504 20 0 DHADHO COc1ccc([C@H](Cc2ccccc2)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000423128675 337700764 /nfs/dbraw/zinc/70/07/64/337700764.db2.gz WENPWUARWOXWDO-CTNGQTDRSA-N 1 3 324.468 3.711 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423128330 337700833 /nfs/dbraw/zinc/70/08/33/337700833.db2.gz VRYBLYAREPLQCN-GSEOLPGOSA-N 1 3 316.489 3.807 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423140137 337701374 /nfs/dbraw/zinc/70/13/74/337701374.db2.gz XLUBMWHSSGOXAM-XHSDSOJGSA-N 1 3 314.395 3.830 20 0 DHADHO Fc1ccc(F)c(CC2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423162791 337702062 /nfs/dbraw/zinc/70/20/62/337702062.db2.gz QDQMUEMIWIOYAW-JWTNVVGKSA-N 1 3 320.427 3.502 20 0 DHADHO C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)[C@H]1CCCNC1 ZINC000423170254 337702261 /nfs/dbraw/zinc/70/22/61/337702261.db2.gz XPZFOFGDMKHRIE-JXSMBQFASA-N 1 3 306.881 3.954 20 0 DHADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423171072 337702290 /nfs/dbraw/zinc/70/22/90/337702290.db2.gz NIWCCDIISUCEFD-RHSMWYFYSA-N 1 3 306.881 3.640 20 0 DHADHO C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCCNC1 ZINC000423170255 337702303 /nfs/dbraw/zinc/70/23/03/337702303.db2.gz XPZFOFGDMKHRIE-KMANFZQXSA-N 1 3 306.881 3.954 20 0 DHADHO Fc1ccc(C(NCC[C@@H]2CC[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000423243890 337706711 /nfs/dbraw/zinc/70/67/11/337706711.db2.gz GTKXFLLLAPSYFJ-AWEZNQCLSA-N 1 3 316.395 3.643 20 0 DHADHO CC(C)c1ccc([C@H](N)CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423248661 337707232 /nfs/dbraw/zinc/70/72/32/337707232.db2.gz RVXFUAMWROSJSZ-VAMGGRTRSA-N 1 3 309.457 3.544 20 0 DHADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423278785 337709013 /nfs/dbraw/zinc/70/90/13/337709013.db2.gz RNOQDCFJEXFVPF-HUUCEWRRSA-N 1 3 315.486 3.850 20 0 DHADHO Cc1c([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cnn1C(C)C ZINC000423296167 337710859 /nfs/dbraw/zinc/71/08/59/337710859.db2.gz YMPJCFBKNWNWAU-KBPBESRZSA-N 1 3 300.450 3.643 20 0 DHADHO C[C@H](C[NH3+])CN[C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423300607 337711167 /nfs/dbraw/zinc/71/11/67/337711167.db2.gz SASVODMWLFRKKG-RISCZKNCSA-N 1 3 319.449 3.511 20 0 DHADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423362412 337714484 /nfs/dbraw/zinc/71/44/84/337714484.db2.gz HSOOMJZCGBUMGO-DAXOMENPSA-N 1 3 314.395 3.886 20 0 DHADHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)C(c1ccccc1)c1ccccc1 ZINC000423398449 337715535 /nfs/dbraw/zinc/71/55/35/337715535.db2.gz OYQUVDGJIUUISH-HLIPFELVSA-N 1 3 308.469 3.795 20 0 DHADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)c(F)c1 ZINC000423395766 337718699 /nfs/dbraw/zinc/71/86/99/337718699.db2.gz RXFICSUUXKXOQO-DLOVCJGASA-N 1 3 315.230 3.509 20 0 DHADHO COc1cc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)ccc1F ZINC000423494816 337722787 /nfs/dbraw/zinc/72/27/87/337722787.db2.gz BAUVUYRWCVVYKW-RDTXWAMCSA-N 1 3 316.420 3.965 20 0 DHADHO COc1ccc2c(c1)[C@H](N[C@@H](CCC[NH3+])c1ccccc1)CC2 ZINC000423495817 337722986 /nfs/dbraw/zinc/72/29/86/337722986.db2.gz CRNJCUHHLZBMFN-VQTJNVASSA-N 1 3 310.441 3.752 20 0 DHADHO CC(C)n1cc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000423513910 337724228 /nfs/dbraw/zinc/72/42/28/337724228.db2.gz VSVURWCYKIDVJJ-QAPCUYQASA-N 1 3 300.450 3.595 20 0 DHADHO NC1(C[NH2+]C2CCC(C(F)F)CC2)C2CC3CC(C2)CC1C3 ZINC000423516089 337724320 /nfs/dbraw/zinc/72/43/20/337724320.db2.gz ARAZTYMINQJYQQ-UHFFFAOYSA-N 1 3 312.448 3.554 20 0 DHADHO CSCC1CCC([NH2+]CC2(N)C3CC4CC(C3)CC2C4)CC1 ZINC000423519662 337724322 /nfs/dbraw/zinc/72/43/22/337724322.db2.gz DJXFMFGBBGPDIS-UHFFFAOYSA-N 1 3 322.562 3.651 20 0 DHADHO COc1ccc([C@H](NCCC[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423480825 337724901 /nfs/dbraw/zinc/72/49/01/337724901.db2.gz NNWWVZPSVFSNFC-PZJWPPBQSA-N 1 3 324.468 3.906 20 0 DHADHO CC(C)Oc1cccc(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000056522025 337852357 /nfs/dbraw/zinc/85/23/57/337852357.db2.gz CWZWKYPJTUYROZ-UHFFFAOYSA-N 1 3 304.478 3.638 20 0 DHADHO C[C@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCNC1 ZINC000514824909 337971327 /nfs/dbraw/zinc/97/13/27/337971327.db2.gz CFQXBIDITLEFKJ-NUEKZKHPSA-N 1 3 314.395 3.700 20 0 DHADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000516117412 338005691 /nfs/dbraw/zinc/00/56/91/338005691.db2.gz CSMUYCVVGLWRQE-PMACEKPBSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CC[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000516117412 338005692 /nfs/dbraw/zinc/00/56/92/338005692.db2.gz CSMUYCVVGLWRQE-PMACEKPBSA-N 1 3 300.490 3.769 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1)CN(C)C ZINC000425949349 338019141 /nfs/dbraw/zinc/01/91/41/338019141.db2.gz FLLPPQGIVYSDJW-KGLIPLIRSA-N 1 3 316.411 3.814 20 0 DHADHO Cc1ccc(C(C)(C)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000426318845 338026761 /nfs/dbraw/zinc/02/67/61/338026761.db2.gz SQPBEVKSMDZHQB-ZWKOTPCHSA-N 1 3 300.490 3.797 20 0 DHADHO Cc1ccc(C(C)(C)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000426318845 338026762 /nfs/dbraw/zinc/02/67/62/338026762.db2.gz SQPBEVKSMDZHQB-ZWKOTPCHSA-N 1 3 300.490 3.797 20 0 DHADHO Cc1ccc(CCC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cn1 ZINC000428270830 338045025 /nfs/dbraw/zinc/04/50/25/338045025.db2.gz WFEYTMLXEHAHRM-PKOBYXMFSA-N 1 3 315.505 3.565 20 0 DHADHO CCC(CC)(CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)OC ZINC000430143702 338098938 /nfs/dbraw/zinc/09/89/38/338098938.db2.gz XTVAMOXAYWGCDZ-AEFFLSMTSA-N 1 3 310.526 3.824 20 0 DHADHO CCC(CC)(C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)OC ZINC000430143702 338098939 /nfs/dbraw/zinc/09/89/39/338098939.db2.gz XTVAMOXAYWGCDZ-AEFFLSMTSA-N 1 3 310.526 3.824 20 0 DHADHO C[N@@H+]1CC[C@@]2(CCN(CCc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000430164812 338099586 /nfs/dbraw/zinc/09/95/86/338099586.db2.gz MQQPBWMFSJKVBI-HXUWFJFHSA-N 1 3 300.490 3.554 20 0 DHADHO C[N@H+]1CC[C@@]2(CCN(CCc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000430164812 338099587 /nfs/dbraw/zinc/09/95/87/338099587.db2.gz MQQPBWMFSJKVBI-HXUWFJFHSA-N 1 3 300.490 3.554 20 0 DHADHO C[C@@H](CCSc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000431602318 338134654 /nfs/dbraw/zinc/13/46/54/338134654.db2.gz FQZOFXMAPXILFP-ROUUACIJSA-N 1 3 318.530 3.975 20 0 DHADHO C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000431602318 338134655 /nfs/dbraw/zinc/13/46/55/338134655.db2.gz FQZOFXMAPXILFP-ROUUACIJSA-N 1 3 318.530 3.975 20 0 DHADHO C[C@@H](CCSc1ccccc1)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000431602318 338134656 /nfs/dbraw/zinc/13/46/56/338134656.db2.gz FQZOFXMAPXILFP-ROUUACIJSA-N 1 3 318.530 3.975 20 0 DHADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000432441859 338156622 /nfs/dbraw/zinc/15/66/22/338156622.db2.gz KXYDTBCJBAXYSD-MAUKXSAKSA-N 1 3 324.896 3.882 20 0 DHADHO CC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000432441859 338156623 /nfs/dbraw/zinc/15/66/23/338156623.db2.gz KXYDTBCJBAXYSD-MAUKXSAKSA-N 1 3 324.896 3.882 20 0 DHADHO CN1CCCC[C@H]1CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434493920 338218381 /nfs/dbraw/zinc/21/83/81/338218381.db2.gz BPPFXYKMMQQTTF-SFHVURJKSA-N 1 3 304.453 3.822 20 0 DHADHO CC1CCN(CCC[NH2+]CCCCOc2ccccc2)CC1 ZINC000438062995 338329432 /nfs/dbraw/zinc/32/94/32/338329432.db2.gz GQKRSYCSPVNZEU-UHFFFAOYSA-N 1 3 304.478 3.557 20 0 DHADHO C[C@@H](CN1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000438100037 338331305 /nfs/dbraw/zinc/33/13/05/338331305.db2.gz YHYVESADGKAGOO-LPHOPBHVSA-N 1 3 304.453 3.880 20 0 DHADHO CN1CCCN(CCC[NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000439010936 338358441 /nfs/dbraw/zinc/35/84/41/338358441.db2.gz ZFUISIBBXHPHTD-OALUTQOASA-N 1 3 323.569 3.599 20 0 DHADHO Cc1cc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000453082078 338791560 /nfs/dbraw/zinc/79/15/60/338791560.db2.gz MBFAJBGKUQLYBB-DZKIICNBSA-N 1 3 310.507 3.597 20 0 DHADHO CC(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459424755 339028269 /nfs/dbraw/zinc/02/82/69/339028269.db2.gz JPKFXCFRVZJBKZ-FUHWJXTLSA-N 1 3 301.478 3.855 20 0 DHADHO Cc1cccc([C@@H](C)C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459438875 339029324 /nfs/dbraw/zinc/02/93/24/339029324.db2.gz SGYVZXAEIRKHJJ-KRWDZBQOSA-N 1 3 309.457 3.752 20 0 DHADHO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)[C@H](C)C2 ZINC000459469391 339031057 /nfs/dbraw/zinc/03/10/57/339031057.db2.gz SENXVNNWYDNBQL-IERDGZPVSA-N 1 3 321.468 3.882 20 0 DHADHO CC(C)O[C@H]1C[C@@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000459630335 339039179 /nfs/dbraw/zinc/03/91/79/339039179.db2.gz IKOGEECOMOPGDZ-YSHGAJCASA-N 1 3 308.510 3.575 20 0 DHADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000459630335 339039180 /nfs/dbraw/zinc/03/91/80/339039180.db2.gz IKOGEECOMOPGDZ-YSHGAJCASA-N 1 3 308.510 3.575 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2csc(Cl)c2Cl)C1 ZINC000459723563 339044367 /nfs/dbraw/zinc/04/43/67/339044367.db2.gz ADFQPKBUVXEXFM-JTQLQIEISA-N 1 3 307.290 3.876 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2csc(Cl)c2Cl)C1 ZINC000459723563 339044368 /nfs/dbraw/zinc/04/43/68/339044368.db2.gz ADFQPKBUVXEXFM-JTQLQIEISA-N 1 3 307.290 3.876 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2c(Cl)oc3ccccc32)C1 ZINC000459728645 339044649 /nfs/dbraw/zinc/04/46/49/339044649.db2.gz IPYMUQYMGNOZMS-CYBMUJFWSA-N 1 3 306.837 3.908 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2c(Cl)oc3ccccc32)C1 ZINC000459728645 339044650 /nfs/dbraw/zinc/04/46/50/339044650.db2.gz IPYMUQYMGNOZMS-CYBMUJFWSA-N 1 3 306.837 3.908 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000463267601 339112624 /nfs/dbraw/zinc/11/26/24/339112624.db2.gz PUXFKCQHOQJJLC-IIAWOOMASA-N 1 3 314.395 3.828 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000463267601 339112625 /nfs/dbraw/zinc/11/26/25/339112625.db2.gz PUXFKCQHOQJJLC-IIAWOOMASA-N 1 3 314.395 3.828 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000463542023 339120824 /nfs/dbraw/zinc/12/08/24/339120824.db2.gz IOFQMNQRHCWEEZ-NEWSRXKRSA-N 1 3 300.490 3.890 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN2CCCC2)C1 ZINC000467372107 339234932 /nfs/dbraw/zinc/23/49/32/339234932.db2.gz ZIQSUUPFGCMJRZ-BHIYHBOVSA-N 1 3 315.505 3.738 20 0 DHADHO CCc1cccc(C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000469776539 339299121 /nfs/dbraw/zinc/29/91/21/339299121.db2.gz RFHURGMEDPORTR-LPHOPBHVSA-N 1 3 300.490 3.992 20 0 DHADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccccc2F)s1 ZINC000469866143 339303162 /nfs/dbraw/zinc/30/31/62/339303162.db2.gz XKYKBGCMMLNZOO-CHWSQXEVSA-N 1 3 304.434 3.723 20 0 DHADHO Clc1ccc(SC2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000469974242 339306319 /nfs/dbraw/zinc/30/63/19/339306319.db2.gz RDJPIUUHOUOGHK-AWEZNQCLSA-N 1 3 324.921 3.896 20 0 DHADHO Cc1ccc([C@H]2CCN(CCC[NH+]3CCCCC3)C2)c(C)c1 ZINC000471020198 339334584 /nfs/dbraw/zinc/33/45/84/339334584.db2.gz SZBYGQLFSDBRKB-IBGZPJMESA-N 1 3 300.490 3.969 20 0 DHADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1CCC(F)(F)F ZINC000471847342 339355997 /nfs/dbraw/zinc/35/59/97/339355997.db2.gz SNSHRJPQCXIULB-CVEARBPZSA-N 1 3 314.395 3.611 20 0 DHADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000474057034 339399741 /nfs/dbraw/zinc/39/97/41/339399741.db2.gz VXYJYPRLOQMVMT-PXTPFGJHSA-N 1 3 322.537 3.539 20 0 DHADHO CCc1c(C)nc2ccccc2c1N1CCC(C[NH+](C)C)CC1 ZINC000477043536 339485335 /nfs/dbraw/zinc/48/53/35/339485335.db2.gz COCKTNFPWJFHSG-UHFFFAOYSA-N 1 3 311.473 3.884 20 0 DHADHO Cc1cccc2c1ncc(C)c2NC1CC([NH+]2CCCCC2)C1 ZINC000480844413 339588710 /nfs/dbraw/zinc/58/87/10/339588710.db2.gz OHFSTINAOTYCTJ-UHFFFAOYSA-N 1 3 309.457 3.702 20 0 DHADHO CCC1(C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CCC1 ZINC000484307611 339684605 /nfs/dbraw/zinc/68/46/05/339684605.db2.gz LJWKUOLQOOVSHN-INIZCTEOSA-N 1 3 304.478 3.858 20 0 DHADHO C[C@@H](C[NH+]1CCC(N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501101162 340074410 /nfs/dbraw/zinc/07/44/10/340074410.db2.gz MJLJHSZQOPMVOD-ZDUSSCGKSA-N 1 3 314.395 3.835 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000501416400 340080460 /nfs/dbraw/zinc/08/04/60/340080460.db2.gz DOWRCFNHCSSTCW-ROUUACIJSA-N 1 3 318.505 3.822 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000501416400 340080461 /nfs/dbraw/zinc/08/04/61/340080461.db2.gz DOWRCFNHCSSTCW-ROUUACIJSA-N 1 3 318.505 3.822 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000501476415 340081955 /nfs/dbraw/zinc/08/19/55/340081955.db2.gz LGTRIUBHSGMHGR-GOSISDBHSA-N 1 3 318.505 3.966 20 0 DHADHO CC[C@H](C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000503004776 340118419 /nfs/dbraw/zinc/11/84/19/340118419.db2.gz KTQUNTGUOCBOIN-GBESFXJTSA-N 1 3 318.505 3.659 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000503024318 340119015 /nfs/dbraw/zinc/11/90/15/340119015.db2.gz MZZYUGCSYGZVKD-YZGWKJHDSA-N 1 3 300.490 3.748 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000503024318 340119016 /nfs/dbraw/zinc/11/90/16/340119016.db2.gz MZZYUGCSYGZVKD-YZGWKJHDSA-N 1 3 300.490 3.748 20 0 DHADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000503024318 340119017 /nfs/dbraw/zinc/11/90/17/340119017.db2.gz MZZYUGCSYGZVKD-YZGWKJHDSA-N 1 3 300.490 3.748 20 0 DHADHO CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@H]1CCSC1 ZINC000506202310 340188440 /nfs/dbraw/zinc/18/84/40/340188440.db2.gz HQMYFGVAKIRMCR-KRWDZBQOSA-N 1 3 306.519 3.582 20 0 DHADHO CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@H]1CCSC1 ZINC000506202310 340188441 /nfs/dbraw/zinc/18/84/41/340188441.db2.gz HQMYFGVAKIRMCR-KRWDZBQOSA-N 1 3 306.519 3.582 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000506866061 340203129 /nfs/dbraw/zinc/20/31/29/340203129.db2.gz HTQZNIMAGBOOES-CRAIPNDOSA-N 1 3 304.478 3.957 20 0 DHADHO CCc1cccnc1[C@@H](C)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000507470479 340221375 /nfs/dbraw/zinc/22/13/75/340221375.db2.gz MVOSFELVPIXZDZ-IAGOWNOFSA-N 1 3 303.494 3.807 20 0 DHADHO CCc1cccnc1[C@@H](C)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000507470479 340221376 /nfs/dbraw/zinc/22/13/76/340221376.db2.gz MVOSFELVPIXZDZ-IAGOWNOFSA-N 1 3 303.494 3.807 20 0 DHADHO COCc1ccccc1/C=C(/C)C[NH2+]CCCN1CCCCC1 ZINC000509684579 340276934 /nfs/dbraw/zinc/27/69/34/340276934.db2.gz LUWKNDSAXDTXRC-SDXDJHTJSA-N 1 3 316.489 3.702 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)CCc1c(F)cccc1F)CN1CCCC1 ZINC000510674532 340306048 /nfs/dbraw/zinc/30/60/48/340306048.db2.gz ISVPXVGXXXHBOL-CABCVRRESA-N 1 3 310.432 3.607 20 0 DHADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510675971 340306274 /nfs/dbraw/zinc/30/62/74/340306274.db2.gz RKRZUBQOTGMFRU-WMZOPIPTSA-N 1 3 322.468 3.635 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCCF)cc1 ZINC000510752805 340309715 /nfs/dbraw/zinc/30/97/15/340309715.db2.gz NYWRGRAGPKHOJP-IEBWSBKVSA-N 1 3 322.468 3.635 20 0 DHADHO COCC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)(C)C ZINC000510934380 340315448 /nfs/dbraw/zinc/31/54/48/340315448.db2.gz YLPBPVUPPXTRHX-GOSISDBHSA-N 1 3 310.526 3.824 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H](CO)CC2CCCC2)CC1 ZINC000511019453 340318417 /nfs/dbraw/zinc/31/84/17/340318417.db2.gz SNWABXILZKHFHZ-LSTHTHJFSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H](CO)CC2CCCC2)CC1 ZINC000511019453 340318418 /nfs/dbraw/zinc/31/84/18/340318418.db2.gz SNWABXILZKHFHZ-LSTHTHJFSA-N 1 3 322.537 3.560 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCSc1ccc(Cl)cc1)C2 ZINC000512560110 340366953 /nfs/dbraw/zinc/36/69/53/340366953.db2.gz BVCUQXQUMFEJKP-XYPWUTKMSA-N 1 3 324.921 3.989 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCSc1ccc(Cl)cc1)C2 ZINC000512560110 340366954 /nfs/dbraw/zinc/36/69/54/340366954.db2.gz BVCUQXQUMFEJKP-XYPWUTKMSA-N 1 3 324.921 3.989 20 0 DHADHO C[C@H](Cc1ccncc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000513040704 340390313 /nfs/dbraw/zinc/39/03/13/340390313.db2.gz HRZVANBCTDRNQP-QKLQHJQFSA-N 1 3 315.505 3.645 20 0 DHADHO C[C@H](Cc1ccncc1)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000513040704 340390314 /nfs/dbraw/zinc/39/03/14/340390314.db2.gz HRZVANBCTDRNQP-QKLQHJQFSA-N 1 3 315.505 3.645 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(O)CCCCCC2)CC1 ZINC000513207654 340397281 /nfs/dbraw/zinc/39/72/81/340397281.db2.gz CWLXIYUYQGLDEY-MJGOQNOKSA-N 1 3 322.537 3.704 20 0 DHADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(O)CCCCCC2)CC1 ZINC000513207654 340397282 /nfs/dbraw/zinc/39/72/82/340397282.db2.gz CWLXIYUYQGLDEY-MJGOQNOKSA-N 1 3 322.537 3.704 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C1CCOCC1 ZINC000513335402 340403039 /nfs/dbraw/zinc/40/30/39/340403039.db2.gz OVNONIQQTPGVLJ-UXPWSPDFSA-N 1 3 322.537 3.824 20 0 DHADHO Cc1cc(CN2CCC(C[NH+]3CCCC3)CC2)c2ccccc2n1 ZINC000124483452 340799376 /nfs/dbraw/zinc/79/93/76/340799376.db2.gz NECDOMRUSGKBBF-UHFFFAOYSA-N 1 3 323.484 3.851 20 0 DHADHO CC(C)=CCC[C@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124660333 340800181 /nfs/dbraw/zinc/80/01/81/340800181.db2.gz GVUWJERDNIIYAJ-IBGZPJMESA-N 1 3 321.553 3.661 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)CN1CCCCC1 ZINC000069382215 340956906 /nfs/dbraw/zinc/95/69/06/340956906.db2.gz BZYUKWJWYGBCQZ-QLFBSQMISA-N 1 3 306.416 3.819 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CCCCS3)CC2)C1 ZINC000542485318 341009646 /nfs/dbraw/zinc/00/96/46/341009646.db2.gz CHRBTZBCAOERCZ-NXHRZFHOSA-N 1 3 310.551 3.905 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@H]3CCCCS3)CC2)C1 ZINC000542485318 341009647 /nfs/dbraw/zinc/00/96/47/341009647.db2.gz CHRBTZBCAOERCZ-NXHRZFHOSA-N 1 3 310.551 3.905 20 0 DHADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000542697431 341017702 /nfs/dbraw/zinc/01/77/02/341017702.db2.gz PCEWGLQGXISIES-SJLPKXTDSA-N 1 3 304.865 3.828 20 0 DHADHO CC(C)COc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000130815981 341047184 /nfs/dbraw/zinc/04/71/84/341047184.db2.gz VBWCNRQDQJALSI-SOLBZPMBSA-N 1 3 304.478 3.540 20 0 DHADHO COc1ccc(C)cc1[C@@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000544895377 341097870 /nfs/dbraw/zinc/09/78/70/341097870.db2.gz WKCQOVRFAKYDNT-MRXNPFEDSA-N 1 3 304.478 3.776 20 0 DHADHO CN(c1ccccc1C[NH2+]C1CCCCC1)C1CCN(C)CC1 ZINC000132709552 341143232 /nfs/dbraw/zinc/14/32/32/341143232.db2.gz WHTMLCYHLWFMKM-UHFFFAOYSA-N 1 3 315.505 3.639 20 0 DHADHO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000237568625 341215936 /nfs/dbraw/zinc/21/59/36/341215936.db2.gz HLFYRDYLZCXTOF-OAHLLOKOSA-N 1 3 300.421 3.608 20 0 DHADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134866985 341225570 /nfs/dbraw/zinc/22/55/70/341225570.db2.gz WRKRSRVYEOJGBC-LFGUQSLTSA-N 1 3 320.521 3.530 20 0 DHADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134866985 341225571 /nfs/dbraw/zinc/22/55/71/341225571.db2.gz WRKRSRVYEOJGBC-LFGUQSLTSA-N 1 3 320.521 3.530 20 0 DHADHO CCc1cc(OC)ccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548805526 341276502 /nfs/dbraw/zinc/27/65/02/341276502.db2.gz RVIAMBCJPZMTKW-UHFFFAOYSA-N 1 3 318.505 3.810 20 0 DHADHO CCc1cc(OC)ccc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548805526 341276503 /nfs/dbraw/zinc/27/65/03/341276503.db2.gz RVIAMBCJPZMTKW-UHFFFAOYSA-N 1 3 318.505 3.810 20 0 DHADHO Cc1nc2ccccc2c(N2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000549141786 341287039 /nfs/dbraw/zinc/28/70/39/341287039.db2.gz KPXOUTCHWSLNBY-KRWDZBQOSA-N 1 3 309.457 3.774 20 0 DHADHO CCc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc2n1 ZINC000549524591 341296332 /nfs/dbraw/zinc/29/63/32/341296332.db2.gz XMSJNXJYMRZRDM-INIZCTEOSA-N 1 3 309.457 3.719 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCCC23CCCC3)C[C@H](C)O1 ZINC000550629082 341319975 /nfs/dbraw/zinc/31/99/75/341319975.db2.gz OJLOHALSBDDEKS-CEXWTWQISA-N 1 3 322.537 3.968 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)C1 ZINC000246186664 341332275 /nfs/dbraw/zinc/33/22/75/341332275.db2.gz CRCUIWAESJTBRZ-YOEHRIQHSA-N 1 3 322.880 3.794 20 0 DHADHO C[C@H](F)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000551265707 341336054 /nfs/dbraw/zinc/33/60/54/341336054.db2.gz YRMTYADLXRGKKP-WZGPROSRSA-N 1 3 304.453 3.625 20 0 DHADHO c1ccc(SCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000247005201 341359755 /nfs/dbraw/zinc/35/97/55/341359755.db2.gz XCNAOWGDBIVDQC-LPHOPBHVSA-N 1 3 316.514 3.727 20 0 DHADHO c1ccc(SCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000247005201 341359756 /nfs/dbraw/zinc/35/97/56/341359756.db2.gz XCNAOWGDBIVDQC-LPHOPBHVSA-N 1 3 316.514 3.727 20 0 DHADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000247095108 341360971 /nfs/dbraw/zinc/36/09/71/341360971.db2.gz PSPYQIAITBIXAY-PJIJBLCYSA-N 1 3 302.437 3.523 20 0 DHADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000247095108 341360972 /nfs/dbraw/zinc/36/09/72/341360972.db2.gz PSPYQIAITBIXAY-PJIJBLCYSA-N 1 3 302.437 3.523 20 0 DHADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc2n[nH]cc2c1 ZINC000552097319 341369641 /nfs/dbraw/zinc/36/96/41/341369641.db2.gz ZSVYCNKSAPFNQD-AWEZNQCLSA-N 1 3 312.461 3.621 20 0 DHADHO C[C@H](CCc1cccc(F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248383636 341376003 /nfs/dbraw/zinc/37/60/03/341376003.db2.gz ATIHNRGBWSUNHF-AEFFLSMTSA-N 1 3 304.453 3.565 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248383636 341376004 /nfs/dbraw/zinc/37/60/04/341376004.db2.gz ATIHNRGBWSUNHF-AEFFLSMTSA-N 1 3 304.453 3.565 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248383636 341376005 /nfs/dbraw/zinc/37/60/05/341376005.db2.gz ATIHNRGBWSUNHF-AEFFLSMTSA-N 1 3 304.453 3.565 20 0 DHADHO CC(C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000248684344 341384210 /nfs/dbraw/zinc/38/42/10/341384210.db2.gz FWOVWDGNDNIDMD-ZCNNSNEGSA-N 1 3 300.490 3.718 20 0 DHADHO CC(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000248684344 341384211 /nfs/dbraw/zinc/38/42/11/341384211.db2.gz FWOVWDGNDNIDMD-ZCNNSNEGSA-N 1 3 300.490 3.718 20 0 DHADHO CC(C)[C@H](C[NH2+][C@@H]1CCN2CCC[C@H]2C1)Cc1ccccc1 ZINC000248684344 341384212 /nfs/dbraw/zinc/38/42/12/341384212.db2.gz FWOVWDGNDNIDMD-ZCNNSNEGSA-N 1 3 300.490 3.718 20 0 DHADHO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C1(C)C ZINC000248799804 341387061 /nfs/dbraw/zinc/38/70/61/341387061.db2.gz JOGHNWZRPCVBBC-ZAWLATJESA-N 1 3 322.537 3.821 20 0 DHADHO C[C@H](CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCCC1 ZINC000249407372 341397174 /nfs/dbraw/zinc/39/71/74/341397174.db2.gz XBWWKOIVYQKLJZ-KFWWJZLASA-N 1 3 306.416 3.962 20 0 DHADHO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1cccc(OCCN(C)C)c1 ZINC000566222444 341551215 /nfs/dbraw/zinc/55/12/15/341551215.db2.gz YCKSREIXEXJHDR-UAGQMJEPSA-N 1 3 308.441 3.558 20 0 DHADHO Cc1ccccc1CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000157115643 341632795 /nfs/dbraw/zinc/63/27/95/341632795.db2.gz RVYGSZMZEVQWNF-QGZVFWFLSA-N 1 3 312.457 3.786 20 0 DHADHO Nc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000576269211 341837148 /nfs/dbraw/zinc/83/71/48/341837148.db2.gz IARKCBZGRNBNTD-ZGXWSNOMSA-N 1 3 313.489 3.547 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000163304431 521717962 /nfs/dbraw/zinc/71/79/62/521717962.db2.gz DKUPDOFBPFSNAW-SJLPKXTDSA-N 1 3 314.473 3.754 20 0 DHADHO CN(C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000129223506 521922158 /nfs/dbraw/zinc/92/21/58/521922158.db2.gz OSSFXGDTPVWWAF-CVEARBPZSA-N 1 3 314.395 3.959 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337343677 522049263 /nfs/dbraw/zinc/04/92/63/522049263.db2.gz SKSVVZVEQXXIFI-WZGPROSRSA-N 1 3 301.478 3.570 20 0 DHADHO Cc1ccncc1CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000339416007 525743284 /nfs/dbraw/zinc/74/32/84/525743284.db2.gz YGTJJPQOXWGQMZ-TZIWHRDSSA-N 1 3 323.484 3.562 20 0 DHADHO c1nc(C2CCC2)sc1CNCCCCC[NH+]1CCCC1 ZINC000339496416 526593783 /nfs/dbraw/zinc/59/37/83/526593783.db2.gz AXWRDYKUDTZORB-UHFFFAOYSA-N 1 3 307.507 3.766 20 0 DHADHO CCS[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297780690 535710798 /nfs/dbraw/zinc/71/07/98/535710798.db2.gz WFJZODFHVQYQCR-SJLPKXTDSA-N 1 3 319.518 3.704 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](CSc2ccccc2)C(C)C)C1 ZINC000180155312 1013054523 /nfs/dbraw/zinc/05/45/23/1013054523.db2.gz IUJARDMQKPOKKC-AEFFLSMTSA-N 1 3 306.519 3.735 20 0 DHADHO CN(Cc1cccc(Cl)c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211366133 1013234853 /nfs/dbraw/zinc/23/48/53/1013234853.db2.gz UURGLJAHCNXRNX-UHFFFAOYSA-N 1 3 300.833 3.618 20 0 DHADHO CC[NH+]1CCC(N[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000037898558 1013249999 /nfs/dbraw/zinc/24/99/99/1013249999.db2.gz JEWXMMLWAALNHK-GFCCVEGCSA-N 1 3 300.368 3.840 20 0 DHADHO c1ccc2c(c1)CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167965710 1013273918 /nfs/dbraw/zinc/27/39/18/1013273918.db2.gz LTKLSOWJRZHJGC-UDEWTMQYSA-N 1 3 310.485 3.539 20 0 DHADHO c1ccc2c(c1)CCC([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)CC2 ZINC001167981896 1013467222 /nfs/dbraw/zinc/46/72/22/1013467222.db2.gz OQFVKUUAMHNFIX-FRIKZZABSA-N 1 3 324.512 3.929 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281224 1013695939 /nfs/dbraw/zinc/69/59/39/1013695939.db2.gz PLEICSJVMVTXDF-DNVCBOLYSA-N 1 3 311.473 3.785 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281224 1013695943 /nfs/dbraw/zinc/69/59/43/1013695943.db2.gz PLEICSJVMVTXDF-DNVCBOLYSA-N 1 3 311.473 3.785 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281224 1013695946 /nfs/dbraw/zinc/69/59/46/1013695946.db2.gz PLEICSJVMVTXDF-DNVCBOLYSA-N 1 3 311.473 3.785 20 0 DHADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441397486 1013733607 /nfs/dbraw/zinc/73/36/07/1013733607.db2.gz WRKRSRVYEOJGBC-BWPNAZKDSA-N 1 3 320.521 3.530 20 0 DHADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441397486 1013733616 /nfs/dbraw/zinc/73/36/16/1013733616.db2.gz WRKRSRVYEOJGBC-BWPNAZKDSA-N 1 3 320.521 3.530 20 0 DHADHO COCC1(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000655815979 1013740391 /nfs/dbraw/zinc/74/03/91/1013740391.db2.gz LWZBAJRXQZEYBM-UHFFFAOYSA-N 1 3 310.526 3.682 20 0 DHADHO CCC1([NH+](C)C)CCN(c2ccnc3ccc(OC)cc32)CC1 ZINC000894930041 1013744404 /nfs/dbraw/zinc/74/44/04/1013744404.db2.gz QXWOORQXHKRJHY-UHFFFAOYSA-N 1 3 313.445 3.554 20 0 DHADHO CC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000655847820 1013773602 /nfs/dbraw/zinc/77/36/02/1013773602.db2.gz DESIXWQGWMMVKS-OALUTQOASA-N 1 3 308.510 3.721 20 0 DHADHO CC[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000655847820 1013773609 /nfs/dbraw/zinc/77/36/09/1013773609.db2.gz DESIXWQGWMMVKS-OALUTQOASA-N 1 3 308.510 3.721 20 0 DHADHO CN(CCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995597 1013789671 /nfs/dbraw/zinc/78/96/71/1013789671.db2.gz KKJIZTXDSUHOFS-WCRBZPEASA-N 1 3 312.501 3.956 20 0 DHADHO CN(CCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995597 1013789674 /nfs/dbraw/zinc/78/96/74/1013789674.db2.gz KKJIZTXDSUHOFS-WCRBZPEASA-N 1 3 312.501 3.956 20 0 DHADHO C[N@H+](CCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995597 1013789675 /nfs/dbraw/zinc/78/96/75/1013789675.db2.gz KKJIZTXDSUHOFS-WCRBZPEASA-N 1 3 312.501 3.956 20 0 DHADHO C[N@@H+](CCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995597 1013789679 /nfs/dbraw/zinc/78/96/79/1013789679.db2.gz KKJIZTXDSUHOFS-WCRBZPEASA-N 1 3 312.501 3.956 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1(Cc2ccccc2)CCC1 ZINC000564825913 1014147738 /nfs/dbraw/zinc/14/77/38/1014147738.db2.gz QNHGRNSMRHLUDR-MRXNPFEDSA-N 1 3 309.457 3.665 20 0 DHADHO CC1(C)C[C@@H](NCCc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC001246266791 1030351139 /nfs/dbraw/zinc/35/11/39/1030351139.db2.gz PQVOSHFXUKLWMB-AWEZNQCLSA-N 1 3 301.261 3.656 20 0 DHADHO CC1(C)C[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CCN1 ZINC001246266791 1030351152 /nfs/dbraw/zinc/35/11/52/1030351152.db2.gz PQVOSHFXUKLWMB-AWEZNQCLSA-N 1 3 301.261 3.656 20 0 DHADHO Cc1nc(C)c([C@@H](C)N(C)Cc2ccc3c(c2)C[NH2+]CC3)s1 ZINC000580839674 1014395719 /nfs/dbraw/zinc/39/57/19/1014395719.db2.gz VVOQUZBPSORJAX-CYBMUJFWSA-N 1 3 315.486 3.599 20 0 DHADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1(CN(C)C)CCCC1 ZINC000580974596 1014498283 /nfs/dbraw/zinc/49/82/83/1014498283.db2.gz CCOMGKAGHIJESA-INIZCTEOSA-N 1 3 320.452 3.533 20 0 DHADHO Cc1cc(C)cc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665246090 1014532931 /nfs/dbraw/zinc/53/29/31/1014532931.db2.gz YSSXSCGNOZJAMA-TZIWHRDSSA-N 1 3 322.452 3.649 20 0 DHADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)[C@@H](C)C2 ZINC000665273448 1014634471 /nfs/dbraw/zinc/63/44/71/1014634471.db2.gz XGNJQTLAODYNCQ-ZQGRQUNCSA-N 1 3 309.457 3.741 20 0 DHADHO Clc1cccc([C@@H]2CCC[C@@H]([NH2+]CC34CC(C3)CN4)C2)c1 ZINC000665279420 1014665174 /nfs/dbraw/zinc/66/51/74/1014665174.db2.gz BYGXLUNXLRBNJA-LFAQLLQBSA-N 1 3 304.865 3.708 20 0 DHADHO C[NH+](C)[C@H]1CCCN(CCn2ccc3cc(Cl)ccc32)CC1 ZINC000581338587 1014720444 /nfs/dbraw/zinc/72/04/44/1014720444.db2.gz IWPBROCKENXXBM-KRWDZBQOSA-N 1 3 319.880 3.711 20 0 DHADHO Cc1ccc([C@@H](CNc2ccnc3ccccc32)[NH+]2CCCC2)o1 ZINC000521930915 1014837964 /nfs/dbraw/zinc/83/79/64/1014837964.db2.gz FXGNMOHJOJYQCF-LJQANCHMSA-N 1 3 321.424 3.807 20 0 DHADHO C[C@@H](CC[NH2+][C@H](c1cccnc1)C1CCC1)N1CCCCC1 ZINC000280852993 1014978277 /nfs/dbraw/zinc/97/82/77/1014978277.db2.gz MSZCHILJYSQCKM-LPHOPBHVSA-N 1 3 301.478 3.777 20 0 DHADHO CCCc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000443677655 1015105398 /nfs/dbraw/zinc/10/53/98/1015105398.db2.gz YNGWZDPXMANNIG-IRXDYDNUSA-N 1 3 309.457 3.648 20 0 DHADHO CCCc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000443677655 1015105402 /nfs/dbraw/zinc/10/54/02/1015105402.db2.gz YNGWZDPXMANNIG-IRXDYDNUSA-N 1 3 309.457 3.648 20 0 DHADHO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC1(N)CCCC1 ZINC000656788787 1015162730 /nfs/dbraw/zinc/16/27/30/1015162730.db2.gz CGIXJFHWUVALCE-NSHDSACASA-N 1 3 301.261 3.786 20 0 DHADHO CC1([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC(F)(F)C1 ZINC000895477796 1015174933 /nfs/dbraw/zinc/17/49/33/1015174933.db2.gz RJWQLFQCDMUCEM-BBWFWOEESA-N 1 3 320.427 3.817 20 0 DHADHO CC1(N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC(F)(F)C1 ZINC000895477796 1015174940 /nfs/dbraw/zinc/17/49/40/1015174940.db2.gz RJWQLFQCDMUCEM-BBWFWOEESA-N 1 3 320.427 3.817 20 0 DHADHO CC1(N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC(F)(F)C1 ZINC000895477796 1015174947 /nfs/dbraw/zinc/17/49/47/1015174947.db2.gz RJWQLFQCDMUCEM-BBWFWOEESA-N 1 3 320.427 3.817 20 0 DHADHO N[C@@H](C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21)C1CC1 ZINC000581801576 1015336713 /nfs/dbraw/zinc/33/67/13/1015336713.db2.gz QKKQLRYPHQISRW-GJZGRUSLSA-N 1 3 313.470 3.514 20 0 DHADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCN(C)C(C)C)cc1OC ZINC000474463719 1015379245 /nfs/dbraw/zinc/37/92/45/1015379245.db2.gz FZNAKTPYZKQONN-JKSUJKDBSA-N 1 3 322.493 3.516 20 0 DHADHO Cc1ccc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)cn1 ZINC000474813453 1015616584 /nfs/dbraw/zinc/61/65/84/1015616584.db2.gz CROUDWLTUGTXJS-UHFFFAOYSA-N 1 3 315.505 3.709 20 0 DHADHO CN1CCC[C@@H]1CC[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000933819398 1015678170 /nfs/dbraw/zinc/67/81/70/1015678170.db2.gz PCDHMKQNYFKMKF-QGZVFWFLSA-N 1 3 309.457 3.741 20 0 DHADHO CN1CCC[C@@H]1CC[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000933819398 1015678174 /nfs/dbraw/zinc/67/81/74/1015678174.db2.gz PCDHMKQNYFKMKF-QGZVFWFLSA-N 1 3 309.457 3.741 20 0 DHADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCCCCCO)C1 ZINC000247561308 1015787057 /nfs/dbraw/zinc/78/70/57/1015787057.db2.gz QVXCFTGGBVMPBH-OALUTQOASA-N 1 3 310.526 3.516 20 0 DHADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCCCCCO)C1 ZINC000247561308 1015787064 /nfs/dbraw/zinc/78/70/64/1015787064.db2.gz QVXCFTGGBVMPBH-OALUTQOASA-N 1 3 310.526 3.516 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000281295264 1016455748 /nfs/dbraw/zinc/45/57/48/1016455748.db2.gz QSMLNDJXLDLBQY-MSOLQXFVSA-N 1 3 303.494 3.736 20 0 DHADHO C[NH2+]CCC1CCN(Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC000346655415 1016495771 /nfs/dbraw/zinc/49/57/71/1016495771.db2.gz RNQDNXNELRHQIT-UHFFFAOYSA-N 1 3 319.474 3.533 20 0 DHADHO COc1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1F ZINC000171127609 1016535701 /nfs/dbraw/zinc/53/57/01/1016535701.db2.gz NDEPCRHQWNAGDT-AWEZNQCLSA-N 1 3 316.420 3.747 20 0 DHADHO CC[N@@H+](C/C=C/c1ccc(F)c(F)c1)CCCN1CCCC1 ZINC000582328163 1016589212 /nfs/dbraw/zinc/58/92/12/1016589212.db2.gz OBSDDBGLHBZIDZ-FNORWQNLSA-N 1 3 308.416 3.786 20 0 DHADHO CC[N@H+](C/C=C/c1ccc(F)c(F)c1)CCCN1CCCC1 ZINC000582328163 1016589227 /nfs/dbraw/zinc/58/92/27/1016589227.db2.gz OBSDDBGLHBZIDZ-FNORWQNLSA-N 1 3 308.416 3.786 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1OC ZINC000152397870 1016589958 /nfs/dbraw/zinc/58/99/58/1016589958.db2.gz BYQIEFOHXUWCAU-SUMWQHHRSA-N 1 3 322.880 3.874 20 0 DHADHO CCCOc1ccc(C[NH2+]C2CC(N3CCCCC3)C2)c(C)c1 ZINC000657456889 1016900978 /nfs/dbraw/zinc/90/09/78/1016900978.db2.gz ANPVCANHIRKYSV-UHFFFAOYSA-N 1 3 316.489 3.890 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)CC1(C)C ZINC000623395619 1017020169 /nfs/dbraw/zinc/02/01/69/1017020169.db2.gz RXEUSUSXGUHFDC-SFHVURJKSA-N 1 3 318.505 3.964 20 0 DHADHO Cc1ccc(SC[C@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623495281 1017071020 /nfs/dbraw/zinc/07/10/20/1017071020.db2.gz XLVFXBBQFYZRPU-HOTGVXAUSA-N 1 3 306.519 3.938 20 0 DHADHO Cc1ccc(SC[C@H](C)N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623495281 1017071035 /nfs/dbraw/zinc/07/10/35/1017071035.db2.gz XLVFXBBQFYZRPU-HOTGVXAUSA-N 1 3 306.519 3.938 20 0 DHADHO COc1ccc2cc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)ccc2c1 ZINC000119432856 1032291004 /nfs/dbraw/zinc/29/10/04/1032291004.db2.gz HNORRZPQBJNONJ-QEEYODRMSA-N 1 3 312.457 3.667 20 0 DHADHO COc1ccc2cc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)ccc2c1 ZINC000119432856 1032291015 /nfs/dbraw/zinc/29/10/15/1032291015.db2.gz HNORRZPQBJNONJ-QEEYODRMSA-N 1 3 312.457 3.667 20 0 DHADHO Cc1ccc(OC2CC[NH+](CC[C@H]3CCCN3C)CC2)cc1C ZINC000089426251 1032342270 /nfs/dbraw/zinc/34/22/70/1032342270.db2.gz BVXGRNXUTUYTMM-GOSISDBHSA-N 1 3 316.489 3.631 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171340598 1032452314 /nfs/dbraw/zinc/45/23/14/1032452314.db2.gz KJVLABJVRGVONS-WMLDXEAASA-N 1 3 322.443 3.676 20 0 DHADHO CN(Cc1cnc(-c2cccs2)s1)CC1CC[NH+](C)CC1 ZINC000093089086 1032522727 /nfs/dbraw/zinc/52/27/27/1032522727.db2.gz GBAVMAOMUBYMSJ-UHFFFAOYSA-N 1 3 321.515 3.645 20 0 DHADHO c1csc([C@H](Cc2ccncc2)[NH2+]CCCN2CCCC2)c1 ZINC000424249771 1011950070 /nfs/dbraw/zinc/95/00/70/1011950070.db2.gz BAHBLPUOEXLOHX-KRWDZBQOSA-N 1 3 315.486 3.502 20 0 DHADHO CCC(CC)N1CCC([NH2+][C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171411410 1032613363 /nfs/dbraw/zinc/61/33/63/1032613363.db2.gz ISURFZBPDXAUFF-QGZVFWFLSA-N 1 3 318.480 3.926 20 0 DHADHO CN(CCc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208612528 1012465111 /nfs/dbraw/zinc/46/51/11/1012465111.db2.gz BLRLYFWUGXKUKI-HNNXBMFYSA-N 1 3 314.395 3.522 20 0 DHADHO CN(CCc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208612528 1012465121 /nfs/dbraw/zinc/46/51/21/1012465121.db2.gz BLRLYFWUGXKUKI-HNNXBMFYSA-N 1 3 314.395 3.522 20 0 DHADHO CN(C1CC1)C1CC[NH+](CCC(C)(C)c2ccccc2)CC1 ZINC001208670634 1012525501 /nfs/dbraw/zinc/52/55/01/1012525501.db2.gz YURVFXCZVOZRMF-UHFFFAOYSA-N 1 3 300.490 3.913 20 0 DHADHO Cc1nc(-c2ccc(CCN[C@H]3CCC[C@@H]([NH3+])C3)s2)cs1 ZINC000515497941 1012639036 /nfs/dbraw/zinc/63/90/36/1012639036.db2.gz CRUIECBZDDIKPG-OLZOCXBDSA-N 1 3 321.515 3.582 20 0 DHADHO COc1ccc2c(c1)[C@H](NCc1cccc(C[NH+](C)C)c1)CC2 ZINC000123625043 1032652969 /nfs/dbraw/zinc/65/29/69/1032652969.db2.gz QGLAMOOHDYHPPN-HXUWFJFHSA-N 1 3 310.441 3.534 20 0 DHADHO CCc1nc(C)c([C@@H](C)NCc2cccc(C[NH+](C)C)c2)s1 ZINC000123592006 1032654058 /nfs/dbraw/zinc/65/40/58/1032654058.db2.gz ZAFVCZHBYQEJOV-CYBMUJFWSA-N 1 3 317.502 3.926 20 0 DHADHO CCc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167961478 1012783137 /nfs/dbraw/zinc/78/31/37/1012783137.db2.gz LUNHNWYKASLBLQ-SEJPIABJSA-N 1 3 312.501 3.787 20 0 DHADHO CCc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167961478 1012783153 /nfs/dbraw/zinc/78/31/53/1012783153.db2.gz LUNHNWYKASLBLQ-SEJPIABJSA-N 1 3 312.501 3.787 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000517228201 1012937692 /nfs/dbraw/zinc/93/76/92/1012937692.db2.gz KCZVGMFXJUVXSP-LSDHHAIUSA-N 1 3 310.432 3.606 20 0 DHADHO COc1ccccc1[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CCCC1 ZINC000425921461 1012953629 /nfs/dbraw/zinc/95/36/29/1012953629.db2.gz LPXWCAUYYLOQTE-KXBFYZLASA-N 1 3 304.478 3.714 20 0 DHADHO CCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000537696394 1032675413 /nfs/dbraw/zinc/67/54/13/1032675413.db2.gz HGUBBTLHNYKIQD-RDTXWAMCSA-N 1 3 304.503 3.759 20 0 DHADHO CCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000537696394 1032675421 /nfs/dbraw/zinc/67/54/21/1032675421.db2.gz HGUBBTLHNYKIQD-RDTXWAMCSA-N 1 3 304.503 3.759 20 0 DHADHO CC[NH+](CC)[C@H](CNc1ccnc2ccccc21)c1ccco1 ZINC000517651255 1013038242 /nfs/dbraw/zinc/03/82/42/1013038242.db2.gz AZDVOYRHWXPRTN-GOSISDBHSA-N 1 3 309.413 3.745 20 0 DHADHO C[C@H]([NH2+]CCCCOC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000475312337 1017137083 /nfs/dbraw/zinc/13/70/83/1017137083.db2.gz MQSDPRIMUQMODR-DLBZAZTESA-N 1 3 310.526 3.824 20 0 DHADHO COc1cc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc2ccccc21 ZINC000925143124 1017263334 /nfs/dbraw/zinc/26/33/34/1017263334.db2.gz QMGNHOKWLDEIFD-MPGHIAIKSA-N 1 3 312.457 3.982 20 0 DHADHO COc1cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc2ccccc21 ZINC000925143124 1017263342 /nfs/dbraw/zinc/26/33/42/1017263342.db2.gz QMGNHOKWLDEIFD-MPGHIAIKSA-N 1 3 312.457 3.982 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171447481 1032695903 /nfs/dbraw/zinc/69/59/03/1032695903.db2.gz CWIXJCCYNVLBPK-QGZVFWFLSA-N 1 3 322.443 3.534 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000180789835 1017508956 /nfs/dbraw/zinc/50/89/56/1017508956.db2.gz VMAFWRWZYQQDPC-UHFFFAOYSA-N 1 3 320.525 3.798 20 0 DHADHO CCC[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000624120621 1017691272 /nfs/dbraw/zinc/69/12/72/1017691272.db2.gz CNHQVSUGKCIGEN-VQIMIIECSA-N 1 3 304.478 3.858 20 0 DHADHO CCC[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000624120621 1017691274 /nfs/dbraw/zinc/69/12/74/1017691274.db2.gz CNHQVSUGKCIGEN-VQIMIIECSA-N 1 3 304.478 3.858 20 0 DHADHO CCC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(OC)cc1 ZINC000624120621 1017691279 /nfs/dbraw/zinc/69/12/79/1017691279.db2.gz CNHQVSUGKCIGEN-VQIMIIECSA-N 1 3 304.478 3.858 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cnc2ccsc2c1 ZINC000624120543 1017693193 /nfs/dbraw/zinc/69/31/93/1017693193.db2.gz BLAGFXMGZIXHAM-UONOGXRCSA-N 1 3 303.475 3.679 20 0 DHADHO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624119835 1017693219 /nfs/dbraw/zinc/69/32/19/1017693219.db2.gz KSBCMGNVRQPEKQ-DLBZAZTESA-N 1 3 304.478 3.856 20 0 DHADHO C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000624123487 1017695139 /nfs/dbraw/zinc/69/51/39/1017695139.db2.gz MZFDEAQLUNZVBT-UONOGXRCSA-N 1 3 303.475 3.679 20 0 DHADHO C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cc2ccncc2s1 ZINC000624123487 1017695147 /nfs/dbraw/zinc/69/51/47/1017695147.db2.gz MZFDEAQLUNZVBT-UONOGXRCSA-N 1 3 303.475 3.679 20 0 DHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123458 1017695690 /nfs/dbraw/zinc/69/56/90/1017695690.db2.gz MGMPTXLGMWSGEF-KXBFYZLASA-N 1 3 316.489 3.739 20 0 DHADHO Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000185715562 1018126179 /nfs/dbraw/zinc/12/61/79/1018126179.db2.gz IKXIDJBLSARZIB-PKOBYXMFSA-N 1 3 300.490 3.780 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cc(Br)cs1 ZINC000194034560 1018172335 /nfs/dbraw/zinc/17/23/35/1018172335.db2.gz CEIFYWWRWHVZKD-MNOVXSKESA-N 1 3 317.296 3.503 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)cs1 ZINC000194034560 1018172340 /nfs/dbraw/zinc/17/23/40/1018172340.db2.gz CEIFYWWRWHVZKD-MNOVXSKESA-N 1 3 317.296 3.503 20 0 DHADHO Fc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000383611164 1018423020 /nfs/dbraw/zinc/42/30/20/1018423020.db2.gz SQNJLVVSVSQWQV-VQTJNVASSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000383611164 1018423025 /nfs/dbraw/zinc/42/30/25/1018423025.db2.gz SQNJLVVSVSQWQV-VQTJNVASSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000447811143 1018482009 /nfs/dbraw/zinc/48/20/09/1018482009.db2.gz CWPVSJIPJJKBTE-IAGOWNOFSA-N 1 3 310.844 3.628 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000447811143 1018482019 /nfs/dbraw/zinc/48/20/19/1018482019.db2.gz CWPVSJIPJJKBTE-IAGOWNOFSA-N 1 3 310.844 3.628 20 0 DHADHO [NH3+][C@H]1C[C@H](NCCc2cccc3cccnc32)c2ccccc21 ZINC000261843411 1018562048 /nfs/dbraw/zinc/56/20/48/1018562048.db2.gz IWOYUZVTTKVOQS-OALUTQOASA-N 1 3 303.409 3.512 20 0 DHADHO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000583564432 1018564273 /nfs/dbraw/zinc/56/42/73/1018564273.db2.gz QDBDMGWFIGIGMN-OUUBHVDSSA-N 1 3 316.464 3.767 20 0 DHADHO CCC[NH+]1CCC(N[C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000675733556 1018566615 /nfs/dbraw/zinc/56/66/15/1018566615.db2.gz AZXGNOGIUMPUGG-IFXJQAMLSA-N 1 3 304.453 3.913 20 0 DHADHO [NH3+]CC1(CCN[C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000650745904 1018645052 /nfs/dbraw/zinc/64/50/52/1018645052.db2.gz QPCUGXNNQBMICK-LJQANCHMSA-N 1 3 321.424 3.636 20 0 DHADHO CC[C@H](NCc1ccccc1C[NH2+]C)c1cc(C)ccc1OC ZINC000650756797 1018685401 /nfs/dbraw/zinc/68/54/01/1018685401.db2.gz KBOIMMYARNOOPU-IBGZPJMESA-N 1 3 312.457 3.964 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@H]1CCCOc2ccc(C)cc21 ZINC000650758187 1018694749 /nfs/dbraw/zinc/69/47/49/1018694749.db2.gz KVUYSWYQRQQLET-IBGZPJMESA-N 1 3 310.441 3.718 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000584008124 1018837380 /nfs/dbraw/zinc/83/73/80/1018837380.db2.gz CWNNCDHKNHFLRM-DNVCBOLYSA-N 1 3 320.908 3.983 20 0 DHADHO C1CC1[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000922898898 1018885207 /nfs/dbraw/zinc/88/52/07/1018885207.db2.gz ZGHREUPITMJTSQ-PXNSSMCTSA-N 1 3 320.521 3.578 20 0 DHADHO C1CCC(N2CCC([NH2+][C@@H]3CCOC4(CCCCC4)C3)CC2)C1 ZINC000127368328 1019025208 /nfs/dbraw/zinc/02/52/08/1019025208.db2.gz SIYGXLHSDBMIGL-GOSISDBHSA-N 1 3 320.521 3.865 20 0 DHADHO CN1C(C)(C)CC([NH2+]CCCOc2ccc(F)cc2)CC1(C)C ZINC001171620183 1032802762 /nfs/dbraw/zinc/80/27/62/1032802762.db2.gz XNNAOOXMSVIYPH-UHFFFAOYSA-N 1 3 322.468 3.836 20 0 DHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCSCC1 ZINC000708511467 1019099607 /nfs/dbraw/zinc/09/96/07/1019099607.db2.gz OGZRDASMRPATFX-QRQLOZEOSA-N 1 3 318.530 3.630 20 0 DHADHO Cc1csc([C@@H]2CCCCN2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923324316 1019131611 /nfs/dbraw/zinc/13/16/11/1019131611.db2.gz STAQKDSJYIAIPJ-HMQMGEFJSA-N 1 3 319.518 3.899 20 0 DHADHO Cc1nc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)sc1C(C)(C)C ZINC000923383772 1019159791 /nfs/dbraw/zinc/15/97/91/1019159791.db2.gz MRSPHECEHPBTNM-ZDUSSCGKSA-N 1 3 321.534 3.713 20 0 DHADHO Cc1csc([C@H]2CCCN2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923415329 1019184264 /nfs/dbraw/zinc/18/42/64/1019184264.db2.gz FMSGXGTZLZFITQ-WTXIUTQJSA-N 1 3 305.491 3.509 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000089511727 1019368156 /nfs/dbraw/zinc/36/81/56/1019368156.db2.gz LLRMXPREFYVNLT-UTKZUKDTSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000089511727 1019368171 /nfs/dbraw/zinc/36/81/71/1019368171.db2.gz LLRMXPREFYVNLT-UTKZUKDTSA-N 1 3 324.468 3.695 20 0 DHADHO Cc1ccc(CC[C@@H](C)N2CCC([NH3+])(CC3CC3)CC2)cc1 ZINC001171666358 1032823927 /nfs/dbraw/zinc/82/39/27/1032823927.db2.gz NIGRUJANAKLMKQ-QGZVFWFLSA-N 1 3 300.490 3.910 20 0 DHADHO Cc1cc(N2CCN(Cc3ccccc3)CC2)c2ccccc2[nH+]1 ZINC000019721401 1019568554 /nfs/dbraw/zinc/56/85/54/1019568554.db2.gz KSCYECQKWQOXIB-UHFFFAOYSA-N 1 3 317.436 3.865 20 0 DHADHO Clc1cccc2c1C[C@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001168705048 1019625059 /nfs/dbraw/zinc/62/50/59/1019625059.db2.gz QQRSVWKUWPHTGB-MRXNPFEDSA-N 1 3 318.892 3.804 20 0 DHADHO Clc1cccc2c1C[C@H](NC1CC[NH+](C3CCCC3)CC1)C2 ZINC001168705048 1019625065 /nfs/dbraw/zinc/62/50/65/1019625065.db2.gz QQRSVWKUWPHTGB-MRXNPFEDSA-N 1 3 318.892 3.804 20 0 DHADHO CCC[NH+]1CCC(N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166022243 1019767379 /nfs/dbraw/zinc/76/73/79/1019767379.db2.gz UXEZPXYHDCWWOV-YLJYHZDGSA-N 1 3 316.489 3.618 20 0 DHADHO C[C@H](c1ccncc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000067716666 1019779199 /nfs/dbraw/zinc/77/91/99/1019779199.db2.gz VQIBOVFKCGHRNG-QGZVFWFLSA-N 1 3 301.478 3.731 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000685455245 1019837449 /nfs/dbraw/zinc/83/74/49/1019837449.db2.gz UJEFLWPWJJYJRU-AABGKKOBSA-N 1 3 300.490 3.718 20 0 DHADHO CC(C)[NH2+]CCCN[C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000643508309 1032870474 /nfs/dbraw/zinc/87/04/74/1032870474.db2.gz HKMJWEILMQLMFB-ZIAGYGMSSA-N 1 3 305.491 3.766 20 0 DHADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCCC34CCC4)CC2)ccn1 ZINC000658162504 1020194795 /nfs/dbraw/zinc/19/47/95/1020194795.db2.gz DOCJAVIADXBJLI-LJQANCHMSA-N 1 3 313.489 3.606 20 0 DHADHO CCC(CC)[NH+]1CCC(N[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786276 1032884677 /nfs/dbraw/zinc/88/46/77/1032884677.db2.gz ZZGCUALZQHSIJH-INIZCTEOSA-N 1 3 304.453 3.536 20 0 DHADHO CCC(CC)N1CCC([NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786276 1032884695 /nfs/dbraw/zinc/88/46/95/1032884695.db2.gz ZZGCUALZQHSIJH-INIZCTEOSA-N 1 3 304.453 3.536 20 0 DHADHO Fc1cccc2c1C[C@H](NC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001171784822 1032885521 /nfs/dbraw/zinc/88/55/21/1032885521.db2.gz HRASRSHRKWUSRX-GOSISDBHSA-N 1 3 316.464 3.537 20 0 DHADHO Fc1cccc2c1C[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001171784822 1032885527 /nfs/dbraw/zinc/88/55/27/1032885527.db2.gz HRASRSHRKWUSRX-GOSISDBHSA-N 1 3 316.464 3.537 20 0 DHADHO CCC(CC)[NH+]1CCC(N[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786277 1032886229 /nfs/dbraw/zinc/88/62/29/1032886229.db2.gz ZZGCUALZQHSIJH-MRXNPFEDSA-N 1 3 304.453 3.536 20 0 DHADHO CCC(CC)N1CCC([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786277 1032886239 /nfs/dbraw/zinc/88/62/39/1032886239.db2.gz ZZGCUALZQHSIJH-MRXNPFEDSA-N 1 3 304.453 3.536 20 0 DHADHO Fc1cccc2c1C[C@@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001171784832 1032886450 /nfs/dbraw/zinc/88/64/50/1032886450.db2.gz ICHQWUVZQMEQCG-KRWDZBQOSA-N 1 3 316.464 3.680 20 0 DHADHO Fc1cccc2c1C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001171784832 1032886467 /nfs/dbraw/zinc/88/64/67/1032886467.db2.gz ICHQWUVZQMEQCG-KRWDZBQOSA-N 1 3 316.464 3.680 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3C(C)(C)C3(F)F)CC2)C1 ZINC000658283934 1020281254 /nfs/dbraw/zinc/28/12/54/1020281254.db2.gz XHNBFWGNHLTSLW-VNQPRFMTSA-N 1 3 314.464 3.910 20 0 DHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCc2ccco2)CC1 ZINC000658326095 1020303864 /nfs/dbraw/zinc/30/38/64/1020303864.db2.gz BHNUGVLCTNZJHU-LPHOPBHVSA-N 1 3 304.478 3.845 20 0 DHADHO C[C@H](CCNCc1[nH]nc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000673811362 1020500732 /nfs/dbraw/zinc/50/07/32/1020500732.db2.gz KXXCTSAZYWOQKJ-MRXNPFEDSA-N 1 3 322.456 3.563 20 0 DHADHO C[C@H](CCNCc1[nH]nc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000673811362 1020500742 /nfs/dbraw/zinc/50/07/42/1020500742.db2.gz KXXCTSAZYWOQKJ-MRXNPFEDSA-N 1 3 322.456 3.563 20 0 DHADHO CC(C)[N@H+](CCCN)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171959119 1032926313 /nfs/dbraw/zinc/92/63/13/1032926313.db2.gz QKLHNTMCAWAKBI-ZDUSSCGKSA-N 1 3 302.384 3.696 20 0 DHADHO CC(C)[N@@H+](CCCN)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171959119 1032926324 /nfs/dbraw/zinc/92/63/24/1032926324.db2.gz QKLHNTMCAWAKBI-ZDUSSCGKSA-N 1 3 302.384 3.696 20 0 DHADHO CCC[N@H+](CCCN)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171958594 1032926797 /nfs/dbraw/zinc/92/67/97/1032926797.db2.gz CTFMVRVPIHEXLU-CYBMUJFWSA-N 1 3 302.384 3.697 20 0 DHADHO CCC[N@@H+](CCCN)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171958594 1032926804 /nfs/dbraw/zinc/92/68/04/1032926804.db2.gz CTFMVRVPIHEXLU-CYBMUJFWSA-N 1 3 302.384 3.697 20 0 DHADHO C[C@@H]1C[C@H](NCc2cn(C(F)F)c3ccccc23)CC[N@@H+]1C ZINC000858537841 1032939104 /nfs/dbraw/zinc/93/91/04/1032939104.db2.gz XZABJOZWMCZYFD-TZMCWYRMSA-N 1 3 307.388 3.609 20 0 DHADHO C[C@@H]1C[C@H](NCc2cn(C(F)F)c3ccccc23)CC[N@H+]1C ZINC000858537841 1032939109 /nfs/dbraw/zinc/93/91/09/1032939109.db2.gz XZABJOZWMCZYFD-TZMCWYRMSA-N 1 3 307.388 3.609 20 0 DHADHO C[C@H](CN1CCC(C)([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000647530881 1021124579 /nfs/dbraw/zinc/12/45/79/1021124579.db2.gz MXFHIBIZEOSHHP-GFCCVEGCSA-N 1 3 300.368 3.622 20 0 DHADHO C[C@@H](CN1CCC(C)([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000647530882 1021124851 /nfs/dbraw/zinc/12/48/51/1021124851.db2.gz MXFHIBIZEOSHHP-LBPRGKRZSA-N 1 3 300.368 3.622 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1csc(C(F)(F)F)c1 ZINC000924650014 1032967575 /nfs/dbraw/zinc/96/75/75/1032967575.db2.gz PMGPOLLTPAHPQR-MNOVXSKESA-N 1 3 318.408 3.902 20 0 DHADHO C[C@H](N)c1ccn([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982716 1032965211 /nfs/dbraw/zinc/96/52/11/1032965211.db2.gz KGZUSGYBEAFFMO-DOTOQJQBSA-N 1 3 312.461 3.519 20 0 DHADHO C[C@H](N)c1ccn([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982716 1032965217 /nfs/dbraw/zinc/96/52/17/1032965217.db2.gz KGZUSGYBEAFFMO-DOTOQJQBSA-N 1 3 312.461 3.519 20 0 DHADHO C[C@H](N)c1ccn([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982720 1032965770 /nfs/dbraw/zinc/96/57/70/1032965770.db2.gz KGZUSGYBEAFFMO-RDJZCZTQSA-N 1 3 312.461 3.519 20 0 DHADHO C[C@H](N)c1ccn([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982720 1032965787 /nfs/dbraw/zinc/96/57/87/1032965787.db2.gz KGZUSGYBEAFFMO-RDJZCZTQSA-N 1 3 312.461 3.519 20 0 DHADHO Cc1cccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1C ZINC000537971863 1032969848 /nfs/dbraw/zinc/96/98/48/1032969848.db2.gz KGRUCHWEDOFWMD-LNLFQRSKSA-N 1 3 318.505 3.843 20 0 DHADHO COc1ccc2cc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)ccc2c1 ZINC000092043144 1021329601 /nfs/dbraw/zinc/32/96/01/1021329601.db2.gz SNNBDPBSWPCSTA-FPOVZHCZSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)ccc2c1 ZINC000092043144 1021329616 /nfs/dbraw/zinc/32/96/16/1021329616.db2.gz SNNBDPBSWPCSTA-FPOVZHCZSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCCN4C)C3)ccc2c1 ZINC000092043144 1021329628 /nfs/dbraw/zinc/32/96/28/1021329628.db2.gz SNNBDPBSWPCSTA-FPOVZHCZSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(C[N@H+]3CC[C@H]4[C@@H](CCCN4C)C3)ccc2c1 ZINC000092043144 1021329647 /nfs/dbraw/zinc/32/96/47/1021329647.db2.gz SNNBDPBSWPCSTA-FPOVZHCZSA-N 1 3 324.468 3.765 20 0 DHADHO C[C@H](N)c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172074196 1032981790 /nfs/dbraw/zinc/98/17/90/1032981790.db2.gz VHMMSUZGIQDIIK-KANFNMMFSA-N 1 3 324.472 3.661 20 0 DHADHO C[C@H](N)c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172074196 1032981811 /nfs/dbraw/zinc/98/18/11/1032981811.db2.gz VHMMSUZGIQDIIK-KANFNMMFSA-N 1 3 324.472 3.661 20 0 DHADHO COc1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000589836669 1021502239 /nfs/dbraw/zinc/50/22/39/1021502239.db2.gz OSKBJJHRWVNMEE-OAHLLOKOSA-N 1 3 324.896 3.950 20 0 DHADHO COc1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000589836669 1021502252 /nfs/dbraw/zinc/50/22/52/1021502252.db2.gz OSKBJJHRWVNMEE-OAHLLOKOSA-N 1 3 324.896 3.950 20 0 DHADHO CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121824 1021504722 /nfs/dbraw/zinc/50/47/22/1021504722.db2.gz DMVCFXJECYQMRS-WOJBJXKFSA-N 1 3 318.505 3.549 20 0 DHADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121955 1021506510 /nfs/dbraw/zinc/50/65/10/1021506510.db2.gz GNNUUMOBAXMXAX-FUHWJXTLSA-N 1 3 302.462 3.530 20 0 DHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCC1SCCS1 ZINC000850401570 1021511882 /nfs/dbraw/zinc/51/18/82/1021511882.db2.gz LRMGZNNIPDVQQC-UHFFFAOYSA-N 1 3 324.559 3.540 20 0 DHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCC1SCCS1 ZINC000850401570 1021511887 /nfs/dbraw/zinc/51/18/87/1021511887.db2.gz LRMGZNNIPDVQQC-UHFFFAOYSA-N 1 3 324.559 3.540 20 0 DHADHO FCC1(CF)CC([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000850430500 1021528189 /nfs/dbraw/zinc/52/81/89/1021528189.db2.gz LNQVAKJNPCHQLI-UHFFFAOYSA-N 1 3 314.464 3.709 20 0 DHADHO C[C@H](CSCCF)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000850430520 1021529463 /nfs/dbraw/zinc/52/94/63/1021529463.db2.gz MABGRKKVDDVZIV-OAHLLOKOSA-N 1 3 316.530 3.712 20 0 DHADHO C[C@H](CSCCF)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000850430520 1021529464 /nfs/dbraw/zinc/52/94/64/1021529464.db2.gz MABGRKKVDDVZIV-OAHLLOKOSA-N 1 3 316.530 3.712 20 0 DHADHO C[C@H]1CCCCN1Cc1cncc(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000556192478 1021599341 /nfs/dbraw/zinc/59/93/41/1021599341.db2.gz BLONXECEVCZRGF-IRXDYDNUSA-N 1 3 301.478 3.830 20 0 DHADHO C[C@H]1CCCCN1Cc1cncc(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000556192478 1021599358 /nfs/dbraw/zinc/59/93/58/1021599358.db2.gz BLONXECEVCZRGF-IRXDYDNUSA-N 1 3 301.478 3.830 20 0 DHADHO COc1ccccc1[C@H](NCC1CC[NH+](C)CC1)c1ccccc1 ZINC000892948244 1021718771 /nfs/dbraw/zinc/71/87/71/1021718771.db2.gz OUSJSPSFOOOFQO-OAQYLSRUSA-N 1 3 324.468 3.716 20 0 DHADHO CSC1(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC1 ZINC000556475444 1021732139 /nfs/dbraw/zinc/73/21/39/1021732139.db2.gz VPEUWEHZYZEFRR-IAGOWNOFSA-N 1 3 310.551 3.859 20 0 DHADHO CSC1(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCC1 ZINC000556475444 1021732144 /nfs/dbraw/zinc/73/21/44/1021732144.db2.gz VPEUWEHZYZEFRR-IAGOWNOFSA-N 1 3 310.551 3.859 20 0 DHADHO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC2CCC1(CN)CC2 ZINC000565222949 1021802264 /nfs/dbraw/zinc/80/22/64/1021802264.db2.gz STEMTIPEMMQUTD-SFYCDEOASA-N 1 3 310.388 3.552 20 0 DHADHO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC2CCC1(CN)CC2 ZINC000565222949 1021802280 /nfs/dbraw/zinc/80/22/80/1021802280.db2.gz STEMTIPEMMQUTD-SFYCDEOASA-N 1 3 310.388 3.552 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3ccc(Cl)cc31)C2 ZINC001172107545 1033008734 /nfs/dbraw/zinc/00/87/34/1033008734.db2.gz ZKEWLYBQFBKEGA-KYHPRHEASA-N 1 3 304.865 3.932 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3ccc(Cl)cc31)C2 ZINC001172107545 1033008742 /nfs/dbraw/zinc/00/87/42/1033008742.db2.gz ZKEWLYBQFBKEGA-KYHPRHEASA-N 1 3 304.865 3.932 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1cccnc1Cl)C1CC1)C2 ZINC001172110510 1033010681 /nfs/dbraw/zinc/01/06/81/1033010681.db2.gz NUXZRGMLZPPTTH-IVSAIRAKSA-N 1 3 319.880 3.791 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c1c(F)ccc3F)C2 ZINC001172108673 1033011610 /nfs/dbraw/zinc/01/16/10/1033011610.db2.gz CWUAIRMXKJYCSJ-KOFHJDLBSA-N 1 3 306.400 3.557 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3nccs3)cc1)C2 ZINC001169100051 1022246305 /nfs/dbraw/zinc/24/63/05/1022246305.db2.gz FHNQMPCNBZBCSM-BJWYYQGGSA-N 1 3 313.470 3.525 20 0 DHADHO CCCN1C[C@@H]2C[N@H+]([C@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169085912 1022252800 /nfs/dbraw/zinc/25/28/00/1022252800.db2.gz PTRACXHFMDAWHY-HBMCJLEFSA-N 1 3 314.517 3.917 20 0 DHADHO CCCN1C[C@@H]2C[N@@H+]([C@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169085912 1022252806 /nfs/dbraw/zinc/25/28/06/1022252806.db2.gz PTRACXHFMDAWHY-HBMCJLEFSA-N 1 3 314.517 3.917 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(OC3CCCC3)c1)C2 ZINC001169107084 1022267969 /nfs/dbraw/zinc/26/79/69/1022267969.db2.gz CDXCACPYCCMOOY-NNZMDNLPSA-N 1 3 314.473 3.723 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)Cc1ccc(C(F)(F)F)cc1)C2 ZINC001169148754 1022279264 /nfs/dbraw/zinc/27/92/64/1022279264.db2.gz ZXGJGDYWVRCDOW-MUJYYYPQSA-N 1 3 312.379 3.762 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)Cc1ccc(C(F)(F)F)cc1)C2 ZINC001169148754 1022279274 /nfs/dbraw/zinc/27/92/74/1022279274.db2.gz ZXGJGDYWVRCDOW-MUJYYYPQSA-N 1 3 312.379 3.762 20 0 DHADHO CC[NH+]1CCC(NC/C(=C/F)CCc2ccc(F)cc2)CC1 ZINC001169230077 1022312459 /nfs/dbraw/zinc/31/24/59/1022312459.db2.gz NPZZPUGLVLEFPO-DTQAZKPQSA-N 1 3 308.416 3.686 20 0 DHADHO COCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000368528415 1022338260 /nfs/dbraw/zinc/33/82/60/1022338260.db2.gz QEQDPQWKVPCQDM-QFBILLFUSA-N 1 3 308.510 3.578 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCc2nsc3ccccc32)[C@H](C)C1 ZINC000660081532 1022443458 /nfs/dbraw/zinc/44/34/58/1022443458.db2.gz HOMIYHZIDKOPRB-PBHICJAKSA-N 1 3 317.502 3.501 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCc2nsc3ccccc32)[C@H](C)C1 ZINC000660081532 1022443465 /nfs/dbraw/zinc/44/34/65/1022443465.db2.gz HOMIYHZIDKOPRB-PBHICJAKSA-N 1 3 317.502 3.501 20 0 DHADHO CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(C)C ZINC000538394682 1033052149 /nfs/dbraw/zinc/05/21/49/1033052149.db2.gz KDCCUUPGCXIZRT-RTBURBONSA-N 1 3 322.537 3.823 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)c1cncs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272366944 1022500285 /nfs/dbraw/zinc/50/02/85/1022500285.db2.gz TXQQDGNRAKWJAY-HLLBOEOZSA-N 1 3 315.486 3.704 20 0 DHADHO c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CC3CCC3)CC1)CS2 ZINC001172200584 1033060177 /nfs/dbraw/zinc/06/01/77/1033060177.db2.gz LGJSMAKLTSSVQD-GOSISDBHSA-N 1 3 316.514 3.558 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc(Cl)ccc1OC ZINC000158124091 1022604549 /nfs/dbraw/zinc/60/45/49/1022604549.db2.gz BJQMHVIENMWCLG-XJKSGUPXSA-N 1 3 310.869 3.731 20 0 DHADHO CCC[C@@H](NC1CC[NH+](CCCOC)CC1)c1cccs1 ZINC001172244623 1033068216 /nfs/dbraw/zinc/06/82/16/1033068216.db2.gz WBZIWBNKCXJVQM-MRXNPFEDSA-N 1 3 310.507 3.680 20 0 DHADHO CC[C@H](C)OCC[C@H](C)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001172320131 1033083960 /nfs/dbraw/zinc/08/39/60/1033083960.db2.gz VIUHVZOHWFWTSR-JENIJYKNSA-N 1 3 306.494 3.863 20 0 DHADHO CC[C@@H](C)OCC[C@@H](C)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172326844 1033090273 /nfs/dbraw/zinc/09/02/73/1033090273.db2.gz BJXHQQAHAIAOQJ-QZTJIDSGSA-N 1 3 318.505 3.616 20 0 DHADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000164806939 1022962878 /nfs/dbraw/zinc/96/28/78/1022962878.db2.gz BBOZXDYLMDXJNG-GPMSIDNRSA-N 1 3 316.489 3.826 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CCCC1 ZINC000165337867 1022979801 /nfs/dbraw/zinc/97/98/01/1022979801.db2.gz VWNGQQAMWKZPHU-PKOBYXMFSA-N 1 3 300.490 3.719 20 0 DHADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1OC(F)F ZINC000295925278 1023000571 /nfs/dbraw/zinc/00/05/71/1023000571.db2.gz KHOBOQGZHDQRDJ-RLAWYHOSSA-N 1 3 310.388 3.564 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NC2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000622043802 1023004912 /nfs/dbraw/zinc/00/49/12/1023004912.db2.gz MMSGDFLWJYJWMP-LSDHHAIUSA-N 1 3 312.379 3.944 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622043713 1023005252 /nfs/dbraw/zinc/00/52/52/1023005252.db2.gz IMMMMPBZFJDTDT-NWDGAFQWSA-N 1 3 300.368 3.800 20 0 DHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(F)cc1 ZINC000398043744 1023067679 /nfs/dbraw/zinc/06/76/79/1023067679.db2.gz QNVGXPISMYGWGF-JXFKEZNVSA-N 1 3 312.432 3.826 20 0 DHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(F)cc1 ZINC000398043744 1023067682 /nfs/dbraw/zinc/06/76/82/1023067682.db2.gz QNVGXPISMYGWGF-JXFKEZNVSA-N 1 3 312.432 3.826 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000769870598 1023235526 /nfs/dbraw/zinc/23/55/26/1023235526.db2.gz ARPYWVKZAGBZPH-LSDHHAIUSA-N 1 3 307.482 3.851 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000769870598 1023235531 /nfs/dbraw/zinc/23/55/31/1023235531.db2.gz ARPYWVKZAGBZPH-LSDHHAIUSA-N 1 3 307.482 3.851 20 0 DHADHO [NH3+]CCC[C@@H](NCc1cnccc1C(F)(F)F)c1ccccc1 ZINC000925715950 1023376493 /nfs/dbraw/zinc/37/64/93/1023376493.db2.gz LEEVESOVZFSMSF-MRXNPFEDSA-N 1 3 323.362 3.670 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc3c(F)cccc3c2)C[C@@H]1C ZINC000876757766 1033135869 /nfs/dbraw/zinc/13/58/69/1033135869.db2.gz FUAPYYZSTIBILF-WMLDXEAASA-N 1 3 315.436 3.679 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc3c(F)cccc3c2)C[C@@H]1C ZINC000876757766 1033135875 /nfs/dbraw/zinc/13/58/75/1033135875.db2.gz FUAPYYZSTIBILF-WMLDXEAASA-N 1 3 315.436 3.679 20 0 DHADHO C[C@@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925731500 1023780607 /nfs/dbraw/zinc/78/06/07/1023780607.db2.gz SXHGGXMRUSEILX-KGYLQXTDSA-N 1 3 315.383 3.657 20 0 DHADHO CCN([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)CCCC(C)C)CC1 ZINC001170088699 1023927601 /nfs/dbraw/zinc/92/76/01/1023927601.db2.gz YCJHICADSVOAOH-PKOBYXMFSA-N 1 3 310.526 3.776 20 0 DHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000876896696 1033178145 /nfs/dbraw/zinc/17/81/45/1033178145.db2.gz LBABJRKZKRGXSM-MRUHUIDDSA-N 1 3 318.442 3.564 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(C)c(OC)c2)c1 ZINC000194292943 1023996431 /nfs/dbraw/zinc/99/64/31/1023996431.db2.gz GXGNTOUSNZLEBS-UHFFFAOYSA-N 1 3 312.457 3.745 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(C)c(OC)c2)c1 ZINC000194292943 1023996441 /nfs/dbraw/zinc/99/64/41/1023996441.db2.gz GXGNTOUSNZLEBS-UHFFFAOYSA-N 1 3 312.457 3.745 20 0 DHADHO CC[C@H](CC(C)C)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001172395245 1033178799 /nfs/dbraw/zinc/17/87/99/1033178799.db2.gz JUVIPYPPBJBPCQ-HUUCEWRRSA-N 1 3 313.283 3.863 20 0 DHADHO c1ccc([C@@H]2CSCCN2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662248847 1024028549 /nfs/dbraw/zinc/02/85/49/1024028549.db2.gz KXAAOWZAGYJRFZ-FQEVSTJZSA-N 1 3 324.493 3.622 20 0 DHADHO CN(CC1=CCSC1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000662267049 1024044388 /nfs/dbraw/zinc/04/43/88/1024044388.db2.gz QGWIVEZSOVBTFM-UHFFFAOYSA-N 1 3 316.514 3.778 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000925766718 1024185468 /nfs/dbraw/zinc/18/54/68/1024185468.db2.gz LLSQEFMFADDSLZ-OXJNMPFZSA-N 1 3 311.473 3.767 20 0 DHADHO C[C@H](C[NH2+][C@H](C)CCCc1cccnc1)CN1CCCCC1 ZINC000453061232 1024310020 /nfs/dbraw/zinc/31/00/20/1024310020.db2.gz NLRWXGGBBGBAPD-QZTJIDSGSA-N 1 3 303.494 3.504 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H](CO)CCC(C)(C)C)CC2)C1 ZINC000475682594 1024312410 /nfs/dbraw/zinc/31/24/10/1024312410.db2.gz SKSARVAQRQTKHS-QRQLOZEOSA-N 1 3 324.553 3.806 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H](CO)CCC(C)(C)C)CC2)C1 ZINC000475682594 1024312427 /nfs/dbraw/zinc/31/24/27/1024312427.db2.gz SKSARVAQRQTKHS-QRQLOZEOSA-N 1 3 324.553 3.806 20 0 DHADHO CC1CCC(O)(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000663464046 1024399141 /nfs/dbraw/zinc/39/91/41/1024399141.db2.gz IERNLZPMIMGCLC-HECZYDGTSA-N 1 3 322.537 3.560 20 0 DHADHO [NH3+][C@H]1C[C@H](NCCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000643456647 1024470128 /nfs/dbraw/zinc/47/01/28/1024470128.db2.gz RCQPUWGZFZQJTD-IRXDYDNUSA-N 1 3 320.358 3.982 20 0 DHADHO Cc1cc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)ccc1F ZINC000453336770 1024470538 /nfs/dbraw/zinc/47/05/38/1024470538.db2.gz FMORYVKYRLXLLB-PHSGOXPASA-N 1 3 302.437 3.800 20 0 DHADHO Cc1cc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)ccc1F ZINC000453336770 1024470546 /nfs/dbraw/zinc/47/05/46/1024470546.db2.gz FMORYVKYRLXLLB-PHSGOXPASA-N 1 3 302.437 3.800 20 0 DHADHO CC(C)(C)[NH+]1CCC(NC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000453348746 1024475030 /nfs/dbraw/zinc/47/50/30/1024475030.db2.gz LHXXNEQYHADWGS-UHFFFAOYSA-N 1 3 304.453 3.753 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)s1 ZINC000925784336 1024508441 /nfs/dbraw/zinc/50/84/41/1024508441.db2.gz QXLJZYICOGPKPU-UWVGGRQHSA-N 1 3 308.825 3.687 20 0 DHADHO CC1(C)C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000453428288 1024520359 /nfs/dbraw/zinc/52/03/59/1024520359.db2.gz PQVYCHXEBMVXCJ-MRXNPFEDSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H]1C[C@@H](NCCc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000271544600 1024536495 /nfs/dbraw/zinc/53/64/95/1024536495.db2.gz UVBVSQTYDVFPOA-AAEUAGOBSA-N 1 3 323.893 3.565 20 0 DHADHO C[C@H]1C[C@@H](NCCc2nc3cc(Cl)ccc3s2)CC[N@H+]1C ZINC000271544600 1024536498 /nfs/dbraw/zinc/53/64/98/1024536498.db2.gz UVBVSQTYDVFPOA-AAEUAGOBSA-N 1 3 323.893 3.565 20 0 DHADHO CC[C@@H]1C[C@H](N2CCC([NH3+])(c3cccc(Cl)c3)CC2)CCO1 ZINC001170198522 1024698009 /nfs/dbraw/zinc/69/80/09/1024698009.db2.gz XOBITIMZVHDEJW-IAGOWNOFSA-N 1 3 322.880 3.547 20 0 DHADHO COc1cccc(CCCN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000121813450 1024762631 /nfs/dbraw/zinc/76/26/31/1024762631.db2.gz CLMPHWCAKUIKSI-LJQANCHMSA-N 1 3 316.489 3.578 20 0 DHADHO Cc1ccc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)nc1 ZINC000350515701 1024823677 /nfs/dbraw/zinc/82/36/77/1024823677.db2.gz TUWZSNKCXYKPHF-TZIWHRDSSA-N 1 3 323.484 3.562 20 0 DHADHO CCCCCC[C@H](CCCC)[NH+]1CCN(CCN(C)C)CC1 ZINC001172513568 1033241112 /nfs/dbraw/zinc/24/11/12/1033241112.db2.gz NUWROBFDMMCYOU-IBGZPJMESA-N 1 3 311.558 3.695 20 0 DHADHO COc1ccc(-c2ccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)cc1 ZINC000539087033 1033265479 /nfs/dbraw/zinc/26/54/79/1033265479.db2.gz PUHSVSCOZDAJAA-HRAATJIYSA-N 1 3 324.468 3.792 20 0 DHADHO COc1ccc(-c2ccc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)cc1 ZINC000539087033 1033265490 /nfs/dbraw/zinc/26/54/90/1033265490.db2.gz PUHSVSCOZDAJAA-HRAATJIYSA-N 1 3 324.468 3.792 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3ccc(F)cc32)[C@H]2CCC[C@@H]21 ZINC000353585433 1025142880 /nfs/dbraw/zinc/14/28/80/1025142880.db2.gz SMZZPMUQNJJISF-YSHGAJCASA-N 1 3 302.437 3.666 20 0 DHADHO C[N@H+]1CC[C@H](N[C@@H]2CCCc3ccc(F)cc32)[C@H]2CCC[C@@H]21 ZINC000353585433 1025142883 /nfs/dbraw/zinc/14/28/83/1025142883.db2.gz SMZZPMUQNJJISF-YSHGAJCASA-N 1 3 302.437 3.666 20 0 DHADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(OC(F)F)cc1 ZINC000122839767 1025215279 /nfs/dbraw/zinc/21/52/79/1025215279.db2.gz KJMKWOFGNJWEAE-LBPRGKRZSA-N 1 3 310.388 3.565 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000122920290 1025240144 /nfs/dbraw/zinc/24/01/44/1025240144.db2.gz GLTZIHDOGNFDQD-MBNYWOFBSA-N 1 3 316.367 3.719 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000122920290 1025240152 /nfs/dbraw/zinc/24/01/52/1025240152.db2.gz GLTZIHDOGNFDQD-MBNYWOFBSA-N 1 3 316.367 3.719 20 0 DHADHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccnc1 ZINC000112518427 1025247893 /nfs/dbraw/zinc/24/78/93/1025247893.db2.gz MVFWVPRXARTNOF-QGZVFWFLSA-N 1 3 309.457 3.918 20 0 DHADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000539094273 1033275933 /nfs/dbraw/zinc/27/59/33/1033275933.db2.gz UYHAINYUUPABIO-ACJLOTCBSA-N 1 3 304.453 3.912 20 0 DHADHO Cc1n[nH]c(C)c1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000354026725 1025324239 /nfs/dbraw/zinc/32/42/39/1025324239.db2.gz XYMPIPXHUNLUAJ-OAHLLOKOSA-N 1 3 318.509 3.503 20 0 DHADHO Cc1n[nH]c(C)c1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000354026725 1025324247 /nfs/dbraw/zinc/32/42/47/1025324247.db2.gz XYMPIPXHUNLUAJ-OAHLLOKOSA-N 1 3 318.509 3.503 20 0 DHADHO Cc1cccc(CCNC2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000366253657 1025395762 /nfs/dbraw/zinc/39/57/62/1025395762.db2.gz WGZBNVTVFUBKST-UHFFFAOYSA-N 1 3 315.505 3.567 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc(Cl)cn2)C1 ZINC000885924819 1025405862 /nfs/dbraw/zinc/40/58/62/1025405862.db2.gz VJUAXCYYZQLDFV-GASCZTMLSA-N 1 3 309.885 3.583 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc(Cl)cn2)C1 ZINC000885924819 1025405864 /nfs/dbraw/zinc/40/58/64/1025405864.db2.gz VJUAXCYYZQLDFV-GASCZTMLSA-N 1 3 309.885 3.583 20 0 DHADHO CO[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000885954383 1025417702 /nfs/dbraw/zinc/41/77/02/1025417702.db2.gz WPUVLBUSAPKYTP-ICSRJNTNSA-N 1 3 322.537 3.968 20 0 DHADHO CC(C)(C)OCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000354718777 1025489982 /nfs/dbraw/zinc/48/99/82/1025489982.db2.gz UZZROUZYTYADPZ-FUHWJXTLSA-N 1 3 308.510 3.530 20 0 DHADHO CC(C)(C)OCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000354718777 1025489989 /nfs/dbraw/zinc/48/99/89/1025489989.db2.gz UZZROUZYTYADPZ-FUHWJXTLSA-N 1 3 308.510 3.530 20 0 DHADHO CC(C)(C)OCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000354719544 1025490819 /nfs/dbraw/zinc/49/08/19/1025490819.db2.gz UZZROUZYTYADPZ-SJLPKXTDSA-N 1 3 308.510 3.530 20 0 DHADHO CC(C)(C)OCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000354719544 1025490823 /nfs/dbraw/zinc/49/08/23/1025490823.db2.gz UZZROUZYTYADPZ-SJLPKXTDSA-N 1 3 308.510 3.530 20 0 DHADHO C[C@H](CCN(C)CC[C@H]1CCCC[N@@H+]1C)OCc1ccccc1 ZINC000354870400 1025531070 /nfs/dbraw/zinc/53/10/70/1025531070.db2.gz ZFUBOZQOXLPMPI-UYAOXDASSA-N 1 3 318.505 3.788 20 0 DHADHO C[C@H](CCN(C)CC[C@H]1CCCC[N@H+]1C)OCc1ccccc1 ZINC000354870400 1025531080 /nfs/dbraw/zinc/53/10/80/1025531080.db2.gz ZFUBOZQOXLPMPI-UYAOXDASSA-N 1 3 318.505 3.788 20 0 DHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(C(F)F)CC3)CC2)C1 ZINC000355173755 1025625225 /nfs/dbraw/zinc/62/52/25/1025625225.db2.gz YVSDCUCDTMRLOZ-ZFWWWQNUSA-N 1 3 300.437 3.664 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506549 1025661464 /nfs/dbraw/zinc/66/14/64/1025661464.db2.gz YMGUDQHLKHXBCJ-FZKQIMNGSA-N 1 3 315.436 3.616 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506549 1025661469 /nfs/dbraw/zinc/66/14/69/1025661469.db2.gz YMGUDQHLKHXBCJ-FZKQIMNGSA-N 1 3 315.436 3.616 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506549 1025661481 /nfs/dbraw/zinc/66/14/81/1025661481.db2.gz YMGUDQHLKHXBCJ-FZKQIMNGSA-N 1 3 315.436 3.616 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@H]2CCc3nc(Cl)ccc32)c1 ZINC000806129718 1025794409 /nfs/dbraw/zinc/79/44/09/1025794409.db2.gz ILGQHJMRQABJRQ-INIZCTEOSA-N 1 3 315.848 3.574 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1cccnc1 ZINC000136598910 1025871040 /nfs/dbraw/zinc/87/10/40/1025871040.db2.gz YHUYIZODEPWQIX-LNLFQRSKSA-N 1 3 309.457 3.643 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)CC1 ZINC000886774139 1025893001 /nfs/dbraw/zinc/89/30/01/1025893001.db2.gz ILBVHZKVTNXGKH-SFHVURJKSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](c1ccccn1)N(C)C/C=C/C[N@H+](C)[C@H](C)c1ccccn1 ZINC000245541852 1026065312 /nfs/dbraw/zinc/06/53/12/1026065312.db2.gz OZOWJCZUYZHANI-AQRBRUGDSA-N 1 3 324.472 3.719 20 0 DHADHO C[C@H](c1ccccn1)N(C)C/C=C/C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000245541852 1026065330 /nfs/dbraw/zinc/06/53/30/1026065330.db2.gz OZOWJCZUYZHANI-AQRBRUGDSA-N 1 3 324.472 3.719 20 0 DHADHO COCCCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000894140916 1026155154 /nfs/dbraw/zinc/15/51/54/1026155154.db2.gz HOVMOZLSYSTCGZ-RAFMOHDBSA-N 1 3 316.489 3.759 20 0 DHADHO COCCCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000894140916 1026155162 /nfs/dbraw/zinc/15/51/62/1026155162.db2.gz HOVMOZLSYSTCGZ-RAFMOHDBSA-N 1 3 316.489 3.759 20 0 DHADHO CC(C)[N@@H+](CC[C@@H](C)CCCC(C)(C)O)[C@H]1CCCNCC1 ZINC001206584345 1026162954 /nfs/dbraw/zinc/16/29/54/1026162954.db2.gz YNYRDKIWKXJVPA-ROUUACIJSA-N 1 3 312.542 3.806 20 0 DHADHO CC(C)[N@H+](CC[C@@H](C)CCCC(C)(C)O)[C@H]1CCCNCC1 ZINC001206584345 1026162962 /nfs/dbraw/zinc/16/29/62/1026162962.db2.gz YNYRDKIWKXJVPA-ROUUACIJSA-N 1 3 312.542 3.806 20 0 DHADHO Clc1nccc2cc(CNC3CC[NH+](C4CC4)CC3)sc21 ZINC000894163423 1026223584 /nfs/dbraw/zinc/22/35/84/1026223584.db2.gz VZYNTAROHBTSQZ-UHFFFAOYSA-N 1 3 321.877 3.666 20 0 DHADHO Cc1cccc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000357017616 1026278250 /nfs/dbraw/zinc/27/82/50/1026278250.db2.gz SZPOXWOOZOWTNL-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1cccc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000357017616 1026278259 /nfs/dbraw/zinc/27/82/59/1026278259.db2.gz SZPOXWOOZOWTNL-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO CC[NH+]1CCC(NC/C(C)=C/c2ccccc2OC(F)F)CC1 ZINC000290063357 1026305069 /nfs/dbraw/zinc/30/50/69/1026305069.db2.gz XWISJPWZAGBSTM-WYMLVPIESA-N 1 3 324.415 3.765 20 0 DHADHO Clc1nccc2cc(CNC[C@@H]3CC[N@@H+](C4CC4)C3)sc21 ZINC000894171863 1026314721 /nfs/dbraw/zinc/31/47/21/1026314721.db2.gz CHOUAAGZXJNTEH-NSHDSACASA-N 1 3 321.877 3.524 20 0 DHADHO Clc1nccc2cc(CNC[C@@H]3CC[N@H+](C4CC4)C3)sc21 ZINC000894171863 1026314736 /nfs/dbraw/zinc/31/47/36/1026314736.db2.gz CHOUAAGZXJNTEH-NSHDSACASA-N 1 3 321.877 3.524 20 0 DHADHO CC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000513334820 1026480567 /nfs/dbraw/zinc/48/05/67/1026480567.db2.gz KVNYSQFTRRVTKX-IBGZPJMESA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](Cc1ccc(O)cc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000513448361 1026510998 /nfs/dbraw/zinc/51/09/98/1026510998.db2.gz SCAMGHOMTQXUQZ-VQIMIIECSA-N 1 3 316.489 3.710 20 0 DHADHO C[C@H](Cc1ccc(O)cc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000513448361 1026511009 /nfs/dbraw/zinc/51/10/09/1026511009.db2.gz SCAMGHOMTQXUQZ-VQIMIIECSA-N 1 3 316.489 3.710 20 0 DHADHO CCOc1cccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809738765 1026611170 /nfs/dbraw/zinc/61/11/70/1026611170.db2.gz IRPFPIFPXCPTBI-UHFFFAOYSA-N 1 3 312.457 3.779 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280417865 1026646213 /nfs/dbraw/zinc/64/62/13/1026646213.db2.gz ZBPPONBATWZCLO-LJQANCHMSA-N 1 3 301.478 3.634 20 0 DHADHO COc1ccccc1-c1ccc(C[N@H+](C[C@@H](C)N)C(C)C)cc1 ZINC000420296791 1026795714 /nfs/dbraw/zinc/79/57/14/1026795714.db2.gz DWWZFMYJXVYEFC-MRXNPFEDSA-N 1 3 312.457 3.920 20 0 DHADHO COc1ccccc1-c1ccc(C[N@@H+](C[C@@H](C)N)C(C)C)cc1 ZINC000420296791 1026795724 /nfs/dbraw/zinc/79/57/24/1026795724.db2.gz DWWZFMYJXVYEFC-MRXNPFEDSA-N 1 3 312.457 3.920 20 0 DHADHO COc1ccc([C@@H](C[NH3+])CN(C)Cc2ccc(Cl)cc2)cc1 ZINC000420296887 1026797662 /nfs/dbraw/zinc/79/76/62/1026797662.db2.gz CLDYVARWZQUSLH-INIZCTEOSA-N 1 3 318.848 3.523 20 0 DHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000420300469 1026800080 /nfs/dbraw/zinc/80/00/80/1026800080.db2.gz HNAFAQXXPDSDIF-WBVHZDCISA-N 1 3 316.470 3.636 20 0 DHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000420300469 1026800093 /nfs/dbraw/zinc/80/00/93/1026800093.db2.gz HNAFAQXXPDSDIF-WBVHZDCISA-N 1 3 316.470 3.636 20 0 DHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000420317134 1026802881 /nfs/dbraw/zinc/80/28/81/1026802881.db2.gz NGQYCAXBQPIIFW-UYAOXDASSA-N 1 3 310.441 3.575 20 0 DHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000420317134 1026802890 /nfs/dbraw/zinc/80/28/90/1026802890.db2.gz NGQYCAXBQPIIFW-UYAOXDASSA-N 1 3 310.441 3.575 20 0 DHADHO C[C@H](c1ccccc1Cl)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420382461 1026812864 /nfs/dbraw/zinc/81/28/64/1026812864.db2.gz PUNWHQVEXRWUIL-BVGQSLNGSA-N 1 3 322.880 3.619 20 0 DHADHO COc1ccc2c(c1F)CC[C@H]2N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000572201071 1027183588 /nfs/dbraw/zinc/18/35/88/1027183588.db2.gz SSIFXKMUXZGNMJ-WBVHZDCISA-N 1 3 322.468 3.778 20 0 DHADHO CC1(N2CCC2)CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000931701297 1027221980 /nfs/dbraw/zinc/22/19/80/1027221980.db2.gz YSSGTGRLQXDFBZ-IAGOWNOFSA-N 1 3 320.427 3.596 20 0 DHADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000422734161 1027301740 /nfs/dbraw/zinc/30/17/40/1027301740.db2.gz SCUNBVMFGKEJPE-NXEZZACHSA-N 1 3 323.239 3.537 20 0 DHADHO Cc1cccc2[nH]cc(CCN[C@H]3C[C@H]([NH3+])c4ccccc43)c21 ZINC000422723198 1027303166 /nfs/dbraw/zinc/30/31/66/1027303166.db2.gz ZVWGIVURZAOIHK-HKUYNNGSSA-N 1 3 305.425 3.753 20 0 DHADHO C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])Sc1ccccc1 ZINC000422778895 1027317095 /nfs/dbraw/zinc/31/70/95/1027317095.db2.gz BCTSOTUIZKENEZ-GJYPPUQNSA-N 1 3 314.498 3.715 20 0 DHADHO Cc1cccc(C(C)(C)C[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000422777388 1027320151 /nfs/dbraw/zinc/32/01/51/1027320151.db2.gz FMPFEBYNGRZXPJ-OAHLLOKOSA-N 1 3 311.473 3.786 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000422798030 1027324118 /nfs/dbraw/zinc/32/41/18/1027324118.db2.gz PLSYPQRHCNTKNM-BVPBIZIASA-N 1 3 322.880 3.618 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000422797952 1027327337 /nfs/dbraw/zinc/32/73/37/1027327337.db2.gz PFLFLDPFOMTCST-PXAZEXFGSA-N 1 3 301.459 3.712 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000422812938 1027332755 /nfs/dbraw/zinc/33/27/55/1027332755.db2.gz YMSOUZCJFXAMPC-LSDHHAIUSA-N 1 3 316.420 3.620 20 0 DHADHO COc1cc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])ccc1OC1CCCC1 ZINC000422884864 1027351414 /nfs/dbraw/zinc/35/14/14/1027351414.db2.gz XUABQKCFOMSAFF-ILXRZTDVSA-N 1 3 320.477 3.793 20 0 DHADHO CCOCCC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCCC1 ZINC000422890439 1027351543 /nfs/dbraw/zinc/35/15/43/1027351543.db2.gz SDFFKFYGTIWZQW-ZWKOTPCHSA-N 1 3 302.462 3.708 20 0 DHADHO c1c2ccccc2sc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422900772 1027355717 /nfs/dbraw/zinc/35/57/17/1027355717.db2.gz JYPIGXYPABRECS-YESZJQIVSA-N 1 3 300.471 3.912 20 0 DHADHO COc1cc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])ccc1OCCC(C)C ZINC000422942495 1027367472 /nfs/dbraw/zinc/36/74/72/1027367472.db2.gz KMJIFCWFUJRIBO-OAGGEKHMSA-N 1 3 322.493 3.897 20 0 DHADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1cccc(Cl)c1Cl ZINC000422948252 1027376326 /nfs/dbraw/zinc/37/63/26/1027376326.db2.gz QZTYDJSKGVYVAE-KGLIPLIRSA-N 1 3 301.261 3.786 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422920643 1027371712 /nfs/dbraw/zinc/37/17/12/1027371712.db2.gz MLBNYJMWHAFVSX-NKGKWGDASA-N 1 3 322.880 3.618 20 0 DHADHO C[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)Oc1ccccc1Cl ZINC000422918450 1027372236 /nfs/dbraw/zinc/37/22/36/1027372236.db2.gz IDHIUSVJLNBUGR-JLZZUVOBSA-N 1 3 316.832 3.842 20 0 DHADHO Cc1cccc(-c2ccc(CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2)c1 ZINC000422965725 1027372731 /nfs/dbraw/zinc/37/27/31/1027372731.db2.gz LVPODBPFBPFTLB-MAODMQOUSA-N 1 3 324.468 3.504 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000422946429 1027375103 /nfs/dbraw/zinc/37/51/03/1027375103.db2.gz WSVZTBLZBPVSHM-LAUBAEHRSA-N 1 3 324.468 3.743 20 0 DHADHO CC[C@@H](CSc1ccc(C)c(C)c1)N[C@H]1CCC[NH2+]CC1 ZINC000422999026 1027385018 /nfs/dbraw/zinc/38/50/18/1027385018.db2.gz DMHMIBGLPPIEQN-IRXDYDNUSA-N 1 3 306.519 3.906 20 0 DHADHO [NH3+][C@H]1CCC[C@H]1NCCSCc1ccc(Cl)cc1Cl ZINC000423019042 1027389633 /nfs/dbraw/zinc/38/96/33/1027389633.db2.gz SYOGHMASEOHHOY-UONOGXRCSA-N 1 3 319.301 3.696 20 0 DHADHO C[C@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000423019316 1027390945 /nfs/dbraw/zinc/39/09/45/1027390945.db2.gz VBSWWRLYGWSZCE-HZUKXOBISA-N 1 3 312.379 3.744 20 0 DHADHO COc1ccc(C[C@H](C)CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423013890 1027392182 /nfs/dbraw/zinc/39/21/82/1027392182.db2.gz NSRHMHUMCMHNHH-GKCIPKSASA-N 1 3 310.441 3.608 20 0 DHADHO C[C@@H](NCC1(c2ccccc2Cl)CCCCC1)C1C[NH2+]C1 ZINC000423028604 1027398382 /nfs/dbraw/zinc/39/83/82/1027398382.db2.gz SRHHMEVBDQKAGU-CQSZACIVSA-N 1 3 306.881 3.739 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCCc2sccc21 ZINC000423045350 1027400082 /nfs/dbraw/zinc/40/00/82/1027400082.db2.gz CSVUNZJUJFHERM-MLGOLLRUSA-N 1 3 301.459 3.638 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(C(F)F)cc1 ZINC000423045167 1027401551 /nfs/dbraw/zinc/40/15/51/1027401551.db2.gz CKTKPTHGFQYXLO-LLVKDONJSA-N 1 3 305.372 3.637 20 0 DHADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)c1ccc(C(F)(F)F)cc1 ZINC000423068654 1027407695 /nfs/dbraw/zinc/40/76/95/1027407695.db2.gz KJFARHGUPSSXES-WFASDCNBSA-N 1 3 314.395 3.700 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423050289 1027408228 /nfs/dbraw/zinc/40/82/28/1027408228.db2.gz YWBRCOFLYDSFJT-YTQUADARSA-N 1 3 302.437 3.869 20 0 DHADHO COCCC[C@H](Cc1ccccc1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423091089 1027415060 /nfs/dbraw/zinc/41/50/60/1027415060.db2.gz ZFHLZDRDQSXAIV-UIFIKXQLSA-N 1 3 324.468 3.759 20 0 DHADHO COCCC[C@H](Cc1ccccc1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423091087 1027415688 /nfs/dbraw/zinc/41/56/88/1027415688.db2.gz ZFHLZDRDQSXAIV-JRGCBEDISA-N 1 3 324.468 3.759 20 0 DHADHO N[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c2ccccc21 ZINC000423122344 1027421023 /nfs/dbraw/zinc/42/10/23/1027421023.db2.gz KJTZZGWXCZXUMM-NMLACTOBSA-N 1 3 308.425 3.641 20 0 DHADHO N[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c2ccccc21 ZINC000423122343 1027421472 /nfs/dbraw/zinc/42/14/72/1027421472.db2.gz KJTZZGWXCZXUMM-HUYLIWGRSA-N 1 3 308.425 3.641 20 0 DHADHO FC(F)(F)C1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCC1 ZINC000423111952 1027427263 /nfs/dbraw/zinc/42/72/63/1027427263.db2.gz RJFJTAYCYLQGFA-BFHYXJOUSA-N 1 3 304.400 3.619 20 0 DHADHO NC1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CCCCCC1 ZINC000423207651 1027446015 /nfs/dbraw/zinc/44/60/15/1027446015.db2.gz XYVFNWPOCYCKGE-PKOBYXMFSA-N 1 3 316.489 3.796 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000423220008 1027462451 /nfs/dbraw/zinc/46/24/51/1027462451.db2.gz XQJRVNYJNKDMDU-DZGCQCFKSA-N 1 3 312.910 3.800 20 0 DHADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423275712 1027492856 /nfs/dbraw/zinc/49/28/56/1027492856.db2.gz NMNAVRNMSZPXSH-SMDDNHRTSA-N 1 3 320.424 3.975 20 0 DHADHO CC(C)[C@@H](N)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423280063 1027492931 /nfs/dbraw/zinc/49/29/31/1027492931.db2.gz SSOSPEVNVQZZJE-LSDHHAIUSA-N 1 3 300.368 3.729 20 0 DHADHO C[C@H](CN)C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423306827 1027495685 /nfs/dbraw/zinc/49/56/85/1027495685.db2.gz MBCBBHSZDFEVPX-KYOSRNDESA-N 1 3 300.368 3.526 20 0 DHADHO C[C@@H](C[NH3+])CN[C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423308889 1027496773 /nfs/dbraw/zinc/49/67/73/1027496773.db2.gz PCSIOKRGALBBKN-LRDDRELGSA-N 1 3 308.878 3.870 20 0 DHADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000423310714 1027496801 /nfs/dbraw/zinc/49/68/01/1027496801.db2.gz AVJWDMHXSPONBY-QMTHXVAHSA-N 1 3 318.408 3.729 20 0 DHADHO COc1ccc2c(c1F)CC[C@@H]2NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423294591 1027498710 /nfs/dbraw/zinc/49/87/10/1027498710.db2.gz UXIYBTGSVGCAPK-PXAZEXFGSA-N 1 3 314.404 3.631 20 0 DHADHO Cc1cc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)cs1 ZINC000295957229 1027500477 /nfs/dbraw/zinc/50/04/77/1027500477.db2.gz LVKFOCXOFKGMFQ-HNNXBMFYSA-N 1 3 318.486 3.848 20 0 DHADHO CCCC[C@H](CN)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423300459 1027504376 /nfs/dbraw/zinc/50/43/76/1027504376.db2.gz RQZNSPRTRRYLOP-KOLCDFICSA-N 1 3 317.296 3.605 20 0 DHADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC[C@H](C)C[NH3+] ZINC000423297903 1027504483 /nfs/dbraw/zinc/50/44/83/1027504483.db2.gz MKHJTCXYTVNSGV-GHMZBOCLSA-N 1 3 307.438 3.503 20 0 DHADHO COc1cccc([C@H](NCCCC[NH3+])c2ccccc2Cl)c1 ZINC000423323428 1027506220 /nfs/dbraw/zinc/50/62/20/1027506220.db2.gz JKOUUWNEHWDNRL-SFHVURJKSA-N 1 3 318.848 3.767 20 0 DHADHO C[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)cc(F)c1 ZINC000296042199 1027527699 /nfs/dbraw/zinc/52/76/99/1027527699.db2.gz OBFRDYHOHPMSIU-FACVHXDRSA-N 1 3 308.416 3.625 20 0 DHADHO C[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(F)c1 ZINC000296042199 1027527709 /nfs/dbraw/zinc/52/77/09/1027527709.db2.gz OBFRDYHOHPMSIU-FACVHXDRSA-N 1 3 308.416 3.625 20 0 DHADHO Cc1cc(OCCC[C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)ccc1Cl ZINC000423389316 1027530357 /nfs/dbraw/zinc/53/03/57/1027530357.db2.gz JHZJXUZPIGBKDU-RLFYNMQTSA-N 1 3 324.896 3.784 20 0 DHADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423409334 1027539466 /nfs/dbraw/zinc/53/94/66/1027539466.db2.gz YSVUIKXUGFRFKX-DAXOMENPSA-N 1 3 300.471 3.866 20 0 DHADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCCc2c3ccccc3sc21 ZINC000423409334 1027539482 /nfs/dbraw/zinc/53/94/82/1027539482.db2.gz YSVUIKXUGFRFKX-DAXOMENPSA-N 1 3 300.471 3.866 20 0 DHADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423409337 1027540271 /nfs/dbraw/zinc/54/02/71/1027540271.db2.gz YSVUIKXUGFRFKX-WQVCFCJDSA-N 1 3 300.471 3.866 20 0 DHADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCCc2c3ccccc3sc21 ZINC000423409337 1027540282 /nfs/dbraw/zinc/54/02/82/1027540282.db2.gz YSVUIKXUGFRFKX-WQVCFCJDSA-N 1 3 300.471 3.866 20 0 DHADHO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)[C@H](C)N)CCC3)cc1 ZINC000423447432 1027544058 /nfs/dbraw/zinc/54/40/58/1027544058.db2.gz OZXNMYXGEMFKSU-KCQAQPDRSA-N 1 3 315.486 3.821 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423437143 1027553564 /nfs/dbraw/zinc/55/35/64/1027553564.db2.gz GDAARXFLJYLGBS-DCAQKATOSA-N 1 3 306.397 3.727 20 0 DHADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000423461806 1027555936 /nfs/dbraw/zinc/55/59/36/1027555936.db2.gz KFOICBHWRPWNLP-HUUCEWRRSA-N 1 3 315.486 3.823 20 0 DHADHO COc1ccc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1O ZINC000423524905 1027579959 /nfs/dbraw/zinc/57/99/59/1027579959.db2.gz XMUYPQCFKIZXKY-PBHICJAKSA-N 1 3 314.429 3.532 20 0 DHADHO COc1ccc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1O ZINC000423524918 1027580354 /nfs/dbraw/zinc/58/03/54/1027580354.db2.gz XMUYPQCFKIZXKY-YOEHRIQHSA-N 1 3 314.429 3.532 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296278957 1027595602 /nfs/dbraw/zinc/59/56/02/1027595602.db2.gz CEPSCXLMICNCSU-OAHLLOKOSA-N 1 3 321.896 3.965 20 0 DHADHO FC(F)CC1C[C@H]2CC[C@@H](C1)N2CCC[NH+]1CCCCC1 ZINC000932805193 1027611938 /nfs/dbraw/zinc/61/19/38/1027611938.db2.gz UFKXXZWOXKABQW-MQVJKMGUSA-N 1 3 300.437 3.761 20 0 DHADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2c1C ZINC000577131653 1027715522 /nfs/dbraw/zinc/71/55/22/1027715522.db2.gz WEAFVCDCVBTHID-ILZDJORESA-N 1 3 311.473 3.747 20 0 DHADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2c1C ZINC000577131653 1027715538 /nfs/dbraw/zinc/71/55/38/1027715538.db2.gz WEAFVCDCVBTHID-ILZDJORESA-N 1 3 311.473 3.747 20 0 DHADHO CC(C)O[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000577390275 1027762276 /nfs/dbraw/zinc/76/22/76/1027762276.db2.gz ATPOMZZKWWTSDB-HXUWFJFHSA-N 1 3 316.489 3.672 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H](C)c2cccc(C(C)C)c2)CC1 ZINC000527860977 1027922555 /nfs/dbraw/zinc/92/25/55/1027922555.db2.gz WMXGMLOJSLMSOY-KRWDZBQOSA-N 1 3 318.505 3.962 20 0 DHADHO Cc1cnc([C@@H]2CCC[N@@H+](CC[C@H]3CCCCN3C)C2)s1 ZINC000366179591 1028056641 /nfs/dbraw/zinc/05/66/41/1028056641.db2.gz QLYSRUBXZCOTCA-HZPDHXFCSA-N 1 3 307.507 3.505 20 0 DHADHO Cc1cnc([C@@H]2CCC[N@H+](CC[C@H]3CCCCN3C)C2)s1 ZINC000366179591 1028056662 /nfs/dbraw/zinc/05/66/62/1028056662.db2.gz QLYSRUBXZCOTCA-HZPDHXFCSA-N 1 3 307.507 3.505 20 0 DHADHO Cc1cnc([C@@H]2CCC[N@@H+](CC[C@@H]3CCCCN3C)C2)s1 ZINC000366179587 1028059221 /nfs/dbraw/zinc/05/92/21/1028059221.db2.gz QLYSRUBXZCOTCA-CVEARBPZSA-N 1 3 307.507 3.505 20 0 DHADHO Cc1cnc([C@@H]2CCC[N@H+](CC[C@@H]3CCCCN3C)C2)s1 ZINC000366179587 1028059239 /nfs/dbraw/zinc/05/92/39/1028059239.db2.gz QLYSRUBXZCOTCA-CVEARBPZSA-N 1 3 307.507 3.505 20 0 DHADHO c1cc2cncc(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)c2[nH]1 ZINC001170752283 1028101756 /nfs/dbraw/zinc/10/17/56/1028101756.db2.gz LXLCEDWEXVETRI-SFHVURJKSA-N 1 3 320.440 3.682 20 0 DHADHO Cc1ccnc([C@@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000367593277 1028212004 /nfs/dbraw/zinc/21/20/04/1028212004.db2.gz HEADHRATAKKOLH-IEBWSBKVSA-N 1 3 309.457 3.563 20 0 DHADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(-c2cncnc2)cc1 ZINC000367655982 1028222536 /nfs/dbraw/zinc/22/25/36/1028222536.db2.gz FFFCPCTVSWJOTC-UZLBHIALSA-N 1 3 324.472 3.669 20 0 DHADHO C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)CN1CCCCC1 ZINC000449086959 1028325972 /nfs/dbraw/zinc/32/59/72/1028325972.db2.gz DZAHKLBIJRBFAQ-PGYGNJIDSA-N 1 3 322.537 3.968 20 0 DHADHO CCC[N@@H+]1CC[C@H](CNCc2cccc3c(OC)cccc23)C1 ZINC000449095112 1028368068 /nfs/dbraw/zinc/36/80/68/1028368068.db2.gz WGVRVWIJIJHMJO-MRXNPFEDSA-N 1 3 312.457 3.670 20 0 DHADHO CCC[N@H+]1CC[C@H](CNCc2cccc3c(OC)cccc23)C1 ZINC000449095112 1028368086 /nfs/dbraw/zinc/36/80/86/1028368086.db2.gz WGVRVWIJIJHMJO-MRXNPFEDSA-N 1 3 312.457 3.670 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449132498 1028383632 /nfs/dbraw/zinc/38/36/32/1028383632.db2.gz UQRIOSNUUUSEAD-ZJRDLVKKSA-N 1 3 322.537 3.967 20 0 DHADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000368612671 1028385732 /nfs/dbraw/zinc/38/57/32/1028385732.db2.gz ICSVSUHULFAIKF-FPCVCCKLSA-N 1 3 322.855 3.942 20 0 DHADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000368612671 1028385746 /nfs/dbraw/zinc/38/57/46/1028385746.db2.gz ICSVSUHULFAIKF-FPCVCCKLSA-N 1 3 322.855 3.942 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000449130888 1028386066 /nfs/dbraw/zinc/38/60/66/1028386066.db2.gz IOUILAQRVAAAMF-GJZGRUSLSA-N 1 3 310.432 3.778 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2(O)CCCC2)CC1 ZINC000449144870 1028398572 /nfs/dbraw/zinc/39/85/72/1028398572.db2.gz VARUITLGIJSLQI-UHFFFAOYSA-N 1 3 310.526 3.560 20 0 DHADHO CO[C@@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(C)C ZINC000449172096 1028414899 /nfs/dbraw/zinc/41/48/99/1028414899.db2.gz JKFBYQUFUBGLLR-KRWDZBQOSA-N 1 3 312.542 3.926 20 0 DHADHO COc1cc(C[N@@H+]2CCCC23CCN(C)CC3)cc2ccccc21 ZINC000449266890 1028494487 /nfs/dbraw/zinc/49/44/87/1028494487.db2.gz XNABUWCFKDZTMU-UHFFFAOYSA-N 1 3 324.468 3.909 20 0 DHADHO COc1cc(C[N@H+]2CCCC23CCN(C)CC3)cc2ccccc21 ZINC000449266890 1028494493 /nfs/dbraw/zinc/49/44/93/1028494493.db2.gz XNABUWCFKDZTMU-UHFFFAOYSA-N 1 3 324.468 3.909 20 0 DHADHO CC(C)[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000564827837 1028507574 /nfs/dbraw/zinc/50/75/74/1028507574.db2.gz RUYQWFAMTIPWEG-UHOSZYNNSA-N 1 3 304.453 3.543 20 0 DHADHO CC1(F)CC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000449376755 1028584500 /nfs/dbraw/zinc/58/45/00/1028584500.db2.gz PALKHVAPFZOOOT-DHKMZYSQSA-N 1 3 316.464 3.767 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228855 1028690123 /nfs/dbraw/zinc/69/01/23/1028690123.db2.gz BJQHGJCAAQFVAM-KSSFIOAISA-N 1 3 304.503 3.717 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228855 1028690132 /nfs/dbraw/zinc/69/01/32/1028690132.db2.gz BJQHGJCAAQFVAM-KSSFIOAISA-N 1 3 304.503 3.717 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228855 1028690137 /nfs/dbraw/zinc/69/01/37/1028690137.db2.gz BJQHGJCAAQFVAM-KSSFIOAISA-N 1 3 304.503 3.717 20 0 DHADHO CC(C)C[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000371486412 1028722577 /nfs/dbraw/zinc/72/25/77/1028722577.db2.gz WPHNLBORXIYCNO-UYAOXDASSA-N 1 3 322.537 3.967 20 0 DHADHO CC(C)[C@@H]1C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000449505969 1028730287 /nfs/dbraw/zinc/73/02/87/1028730287.db2.gz ZUDPPBPWCVCWRY-XLIONFOSSA-N 1 3 322.537 3.824 20 0 DHADHO CO[C@@H]1CCC[C@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449524556 1028752663 /nfs/dbraw/zinc/75/26/63/1028752663.db2.gz RCVVWIBEVTXTPY-IAGOWNOFSA-N 1 3 310.526 3.823 20 0 DHADHO c1ccc(SC2CC[NH+](CCCN3CCCCC3)CC2)nc1 ZINC000372491571 1028866138 /nfs/dbraw/zinc/86/61/38/1028866138.db2.gz BTLOPCPOBZWBFM-UHFFFAOYSA-N 1 3 319.518 3.514 20 0 DHADHO CC[C@@H](O)[C@@H](CC)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449646123 1028877858 /nfs/dbraw/zinc/87/78/58/1028877858.db2.gz NHMOUFBFWHDMCF-IAGOWNOFSA-N 1 3 312.542 3.805 20 0 DHADHO Cc1ccccc1NC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000372902942 1028921210 /nfs/dbraw/zinc/92/12/10/1028921210.db2.gz XSDHVAWTZOQFIZ-UHFFFAOYSA-N 1 3 315.505 3.747 20 0 DHADHO c1cc2cc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2[nH]1 ZINC000628190979 1028931205 /nfs/dbraw/zinc/93/12/05/1028931205.db2.gz WJEOUWJSNNAALO-XLIONFOSSA-N 1 3 309.457 3.617 20 0 DHADHO c1cc2cc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2[nH]1 ZINC000628190979 1028931227 /nfs/dbraw/zinc/93/12/27/1028931227.db2.gz WJEOUWJSNNAALO-XLIONFOSSA-N 1 3 309.457 3.617 20 0 DHADHO CCO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449756215 1028978350 /nfs/dbraw/zinc/97/83/50/1028978350.db2.gz OWNDLVISTACVBL-WZGPROSRSA-N 1 3 308.510 3.577 20 0 DHADHO CCO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449756212 1028978558 /nfs/dbraw/zinc/97/85/58/1028978558.db2.gz OWNDLVISTACVBL-JCHJZTRSSA-N 1 3 308.510 3.577 20 0 DHADHO COc1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)c(F)c1 ZINC000568030178 1028997137 /nfs/dbraw/zinc/99/71/37/1028997137.db2.gz LHKNWQJYYMHLSW-HNNXBMFYSA-N 1 3 308.441 3.579 20 0 DHADHO COc1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)c(F)c1 ZINC000568030178 1028997155 /nfs/dbraw/zinc/99/71/55/1028997155.db2.gz LHKNWQJYYMHLSW-HNNXBMFYSA-N 1 3 308.441 3.579 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cnc3ccc(C)cc3c2)C[C@H]1C ZINC000411311807 1029096701 /nfs/dbraw/zinc/09/67/01/1029096701.db2.gz XXRAZRPLEVQBQK-APWZRJJASA-N 1 3 311.473 3.848 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc3ccc(C)cc3c2)C[C@H]1C ZINC000411311807 1029096709 /nfs/dbraw/zinc/09/67/09/1029096709.db2.gz XXRAZRPLEVQBQK-APWZRJJASA-N 1 3 311.473 3.848 20 0 DHADHO Cc1cccc(C)c1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817908191 1029272011 /nfs/dbraw/zinc/27/20/11/1029272011.db2.gz PUFVZIVABGLWQW-FPOVZHCZSA-N 1 3 322.452 3.649 20 0 DHADHO [NH3+]CCc1ccc(CN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000817947655 1029288220 /nfs/dbraw/zinc/28/82/20/1029288220.db2.gz DWYAAJOCFIWCRK-QGZVFWFLSA-N 1 3 316.445 3.654 20 0 DHADHO CSc1ccc([C@@H](C)NCc2ccc(CC[NH3+])cc2)cc1F ZINC000817948974 1029291689 /nfs/dbraw/zinc/29/16/89/1029291689.db2.gz MUHOUIHOAJSWTB-CYBMUJFWSA-N 1 3 318.461 3.900 20 0 DHADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1cnc2ccsc2c1 ZINC000817950541 1029291838 /nfs/dbraw/zinc/29/18/38/1029291838.db2.gz ZPTJXVQOGCZYKL-CYBMUJFWSA-N 1 3 311.454 3.648 20 0 DHADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817960647 1029299220 /nfs/dbraw/zinc/29/92/20/1029299220.db2.gz OVZAAFHFNPLQOW-RBZYPMLTSA-N 1 3 316.276 3.744 20 0 DHADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccnc(Cl)c1 ZINC000817982679 1029318914 /nfs/dbraw/zinc/31/89/14/1029318914.db2.gz VJABNZPGNPSQKB-CJNGLKHVSA-N 1 3 303.837 3.866 20 0 DHADHO C[C@@H](CSC(C)(C)C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000817983911 1029319838 /nfs/dbraw/zinc/31/98/38/1029319838.db2.gz LKBLYHBPVSVJQD-UCRBLCQZSA-N 1 3 310.551 3.650 20 0 DHADHO C[C@@H](CSC(C)(C)C)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000817983911 1029319851 /nfs/dbraw/zinc/31/98/51/1029319851.db2.gz LKBLYHBPVSVJQD-UCRBLCQZSA-N 1 3 310.551 3.650 20 0 DHADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1cccc(-c2ccccc2)c1 ZINC000629520332 1029356076 /nfs/dbraw/zinc/35/60/76/1029356076.db2.gz GLYGIOJXJJXTRX-MRXNPFEDSA-N 1 3 310.441 3.512 20 0 DHADHO CC(C)CC[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(Cl)cc1 ZINC000629521620 1029356689 /nfs/dbraw/zinc/35/66/89/1029356689.db2.gz PFWJAGFHVQRYEE-QGZVFWFLSA-N 1 3 324.896 3.915 20 0 DHADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000570442262 1029366475 /nfs/dbraw/zinc/36/64/75/1029366475.db2.gz ZZGSQYDEUBJADH-IWKCEXAMSA-N 1 3 304.453 3.687 20 0 DHADHO CC[C@H](CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629653230 1029406664 /nfs/dbraw/zinc/40/66/64/1029406664.db2.gz DEFISICHNMCISH-KBMXLJTQSA-N 1 3 314.395 3.639 20 0 DHADHO C[C@H](CCN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629652883 1029407857 /nfs/dbraw/zinc/40/78/57/1029407857.db2.gz CGPAQVMFLXIYTH-BMFZPTHFSA-N 1 3 314.395 3.639 20 0 DHADHO C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)COCc1ccccc1 ZINC000389923404 1029436302 /nfs/dbraw/zinc/43/63/02/1029436302.db2.gz UETYWGFBUGAJAP-CDHQVMDDSA-N 1 3 310.441 3.574 20 0 DHADHO NCCC[N@H+](C1CCCCC1)[C@H]1CCc2cccc(F)c2C1 ZINC001170948335 1029731597 /nfs/dbraw/zinc/73/15/97/1029731597.db2.gz GDVKENHVTNHFDT-KRWDZBQOSA-N 1 3 304.453 3.667 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)[C@H]1CCc2cccc(F)c2C1 ZINC001170948335 1029731607 /nfs/dbraw/zinc/73/16/07/1029731607.db2.gz GDVKENHVTNHFDT-KRWDZBQOSA-N 1 3 304.453 3.667 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@@H]2CCc3cccc(F)c3C2)CC1(C)C ZINC001170960934 1029822877 /nfs/dbraw/zinc/82/28/77/1029822877.db2.gz JHXXGSVGTRZATN-OAHLLOKOSA-N 1 3 318.480 3.924 20 0 DHADHO C[NH+](C)C1(C)CCC(NCc2c(Cl)cncc2Cl)CC1 ZINC000865765063 1030014052 /nfs/dbraw/zinc/01/40/52/1030014052.db2.gz SWKSCDXWJOTYNQ-UHFFFAOYSA-N 1 3 316.276 3.741 20 0 DHADHO C[NH+](C)C1(C)CCC(NCc2ncc(C(C)(C)C)s2)CC1 ZINC000865765522 1030015475 /nfs/dbraw/zinc/01/54/75/1030015475.db2.gz YOZSLYJHUOPAAK-UHFFFAOYSA-N 1 3 309.523 3.793 20 0 DHADHO C[C@@H]1CCC[N@H+](CCCCN[C@H]2CCc3c2nccc3Cl)C1 ZINC000924684244 1030156833 /nfs/dbraw/zinc/15/68/33/1030156833.db2.gz DGFCNWCDCNOUNK-PBHICJAKSA-N 1 3 321.896 3.824 20 0 DHADHO C[C@@H]1CCC[N@@H+](CCCCN[C@H]2CCc3c2nccc3Cl)C1 ZINC000924684244 1030156836 /nfs/dbraw/zinc/15/68/36/1030156836.db2.gz DGFCNWCDCNOUNK-PBHICJAKSA-N 1 3 321.896 3.824 20 0 DHADHO CCSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000924704668 1030166526 /nfs/dbraw/zinc/16/65/26/1030166526.db2.gz GTHYCOWOISGLGZ-CVEARBPZSA-N 1 3 306.519 3.661 20 0 DHADHO C[C@@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1(Cl)CC1 ZINC000925080487 1030266718 /nfs/dbraw/zinc/26/67/18/1030266718.db2.gz UVTBKLGLSRTVGZ-LSDHHAIUSA-N 1 3 306.881 3.962 20 0 DHADHO Cc1nc(-c2ccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)o2)cs1 ZINC000358023911 1030283623 /nfs/dbraw/zinc/28/36/23/1030283623.db2.gz YQOWRISZULXGRE-LALPHHSUSA-N 1 3 319.474 3.530 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](NCc2cc(C)ccc2C)[C@@H](C)C1 ZINC000557802741 1030299343 /nfs/dbraw/zinc/29/93/43/1030299343.db2.gz FIUMCNITGRFTFH-ICSRJNTNSA-N 1 3 318.505 3.530 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](NCc2cc(C)ccc2C)[C@@H](C)C1 ZINC000557802741 1030299358 /nfs/dbraw/zinc/29/93/58/1030299358.db2.gz FIUMCNITGRFTFH-ICSRJNTNSA-N 1 3 318.505 3.530 20 0 DHADHO COCCSc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000358110680 1030332553 /nfs/dbraw/zinc/33/25/53/1030332553.db2.gz MYNHKEDTTUWCPG-VYDXJSESSA-N 1 3 322.518 3.558 20 0 DHADHO COCCSc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000358110680 1030332568 /nfs/dbraw/zinc/33/25/68/1030332568.db2.gz MYNHKEDTTUWCPG-VYDXJSESSA-N 1 3 322.518 3.558 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC000925492422 1030376104 /nfs/dbraw/zinc/37/61/04/1030376104.db2.gz IPAAGLKWDFBYBS-HKUYNNGSSA-N 1 3 310.526 3.538 20 0 DHADHO C[C@H]([NH3+])[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000925536926 1030392305 /nfs/dbraw/zinc/39/23/05/1030392305.db2.gz SXLNUMAOEBNYRS-MHEUCROKSA-N 1 3 300.368 3.786 20 0 DHADHO Cc1cccc2c1OCC[C@H]2N[C@@H](CCC[NH3+])c1ccccc1 ZINC000925546653 1030395369 /nfs/dbraw/zinc/39/53/69/1030395369.db2.gz LYRCGZGILDDVDB-RBUKOAKNSA-N 1 3 310.441 3.888 20 0 DHADHO [NH3+]CCC[C@H](N[C@H]1CCOc2c(F)cccc21)c1ccccc1 ZINC000925643787 1030432126 /nfs/dbraw/zinc/43/21/26/1030432126.db2.gz HVBMINYNVIBOLE-ROUUACIJSA-N 1 3 314.404 3.719 20 0 DHADHO CSCC1CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925681083 1030449871 /nfs/dbraw/zinc/44/98/71/1030449871.db2.gz VVJDDGBPHJXNGT-XAWIXRBMSA-N 1 3 310.551 3.666 20 0 DHADHO CC[C@H](C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)CC(F)(F)F ZINC000925700181 1030458553 /nfs/dbraw/zinc/45/85/53/1030458553.db2.gz ZYARTAHEKQRGCO-CFVMTHIKSA-N 1 3 306.416 3.723 20 0 DHADHO CC(C)([NH3+])CCN[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000925741516 1030475033 /nfs/dbraw/zinc/47/50/33/1030475033.db2.gz UCWWKZVQHNCSGY-CQSZACIVSA-N 1 3 315.486 3.905 20 0 DHADHO CC(C)C[C@@H](N)C[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC001246307242 1030484651 /nfs/dbraw/zinc/48/46/51/1030484651.db2.gz DLXMFDUPZCJLHV-TZMCWYRMSA-N 1 3 300.899 3.784 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(Cl)c1 ZINC000925779168 1030492649 /nfs/dbraw/zinc/49/26/49/1030492649.db2.gz MDDFWPDSURTXPJ-OCCSQVGLSA-N 1 3 302.796 3.626 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000925780045 1030495776 /nfs/dbraw/zinc/49/57/76/1030495776.db2.gz QZKBYKCGNKLFHG-MWLCHTKSSA-N 1 3 323.214 3.889 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000558256201 1030501049 /nfs/dbraw/zinc/50/10/49/1030501049.db2.gz IJVTXSVAONYUCZ-TXTZMMAHSA-N 1 3 320.427 3.530 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000558256201 1030501059 /nfs/dbraw/zinc/50/10/59/1030501059.db2.gz IJVTXSVAONYUCZ-TXTZMMAHSA-N 1 3 320.427 3.530 20 0 DHADHO FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000558256201 1030501064 /nfs/dbraw/zinc/50/10/64/1030501064.db2.gz IJVTXSVAONYUCZ-TXTZMMAHSA-N 1 3 320.427 3.530 20 0 DHADHO CSC1CCC(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925803411 1030503849 /nfs/dbraw/zinc/50/38/49/1030503849.db2.gz ZIAFIUOCGOKATM-DQVOVIAYSA-N 1 3 310.551 3.666 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccs2)[C@@H](C)C1 ZINC000246392127 1030507844 /nfs/dbraw/zinc/50/78/44/1030507844.db2.gz AYTHYABSPIZFLN-XHSDSOJGSA-N 1 3 310.507 3.536 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cccs2)[C@@H](C)C1 ZINC000246392127 1030507851 /nfs/dbraw/zinc/50/78/51/1030507851.db2.gz AYTHYABSPIZFLN-XHSDSOJGSA-N 1 3 310.507 3.536 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@H]1CCCCN1 ZINC000925837539 1030514394 /nfs/dbraw/zinc/51/43/94/1030514394.db2.gz GUOONESCKHBYCL-QBPKDAKJSA-N 1 3 308.416 3.546 20 0 DHADHO FC1(F)[C@@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000925840003 1030516441 /nfs/dbraw/zinc/51/64/41/1030516441.db2.gz UTNWAPMCJZBKGQ-ICUGJSFKSA-N 1 3 320.427 3.546 20 0 DHADHO Cc1ccc(-c2cc(C[N@@H+](C)[C@@H]3CCN(C)[C@@H](C)C3)on2)cc1 ZINC000246951093 1030665103 /nfs/dbraw/zinc/66/51/03/1030665103.db2.gz RCICKZJPNUIYCE-DOTOQJQBSA-N 1 3 313.445 3.565 20 0 DHADHO Cc1ccc(-c2cc(C[N@H+](C)[C@@H]3CCN(C)[C@@H](C)C3)on2)cc1 ZINC000246951093 1030665112 /nfs/dbraw/zinc/66/51/12/1030665112.db2.gz RCICKZJPNUIYCE-DOTOQJQBSA-N 1 3 313.445 3.565 20 0 DHADHO CN(CCC[NH+](C)C)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074880 1030742753 /nfs/dbraw/zinc/74/27/53/1030742753.db2.gz VGIJGVHOIADDKX-CQSZACIVSA-N 1 3 315.288 3.734 20 0 DHADHO Cc1ccc(C(C)(C)C[NH2+]C2CCN(CCC(C)C)CC2)nc1 ZINC000926751737 1030902482 /nfs/dbraw/zinc/90/24/82/1030902482.db2.gz AWIWAXYSGPQTST-UHFFFAOYSA-N 1 3 317.521 3.768 20 0 DHADHO Cc1ccc(C(C)(C)CNC2CC[NH+](CCC(C)C)CC2)nc1 ZINC000926751737 1030902494 /nfs/dbraw/zinc/90/24/94/1030902494.db2.gz AWIWAXYSGPQTST-UHFFFAOYSA-N 1 3 317.521 3.768 20 0 DHADHO CC(C)CC[NH+]1CCC(NC2([C@@H]3CCCCO3)CCC2)CC1 ZINC000926812337 1030939461 /nfs/dbraw/zinc/93/94/61/1030939461.db2.gz LXGGKLHVMOAVDL-SFHVURJKSA-N 1 3 308.510 3.578 20 0 DHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171109763 1030989883 /nfs/dbraw/zinc/98/98/83/1030989883.db2.gz MGBNRLRZRQISSI-KZNAEPCWSA-N 1 3 306.881 3.660 20 0 DHADHO C(C1CCCC1)N1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000872030023 1031414901 /nfs/dbraw/zinc/41/49/01/1031414901.db2.gz XTRTVKDGYIXMOG-IBGZPJMESA-N 1 3 320.521 3.722 20 0 DHADHO CC[C@@H](CCC(F)(F)F)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000872044909 1031433185 /nfs/dbraw/zinc/43/31/85/1031433185.db2.gz HHIQWWFNGSHAAS-ZNMIVQPWSA-N 1 3 324.431 3.587 20 0 DHADHO Cc1cc(C)cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000536855425 1031456763 /nfs/dbraw/zinc/45/67/63/1031456763.db2.gz AFNUXUHUQKTUQT-OTWHNJEPSA-N 1 3 318.505 3.843 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536956979 1031481470 /nfs/dbraw/zinc/48/14/70/1031481470.db2.gz AHQMZFDQEJELMR-DNVCBOLYSA-N 1 3 304.453 3.907 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536956979 1031481478 /nfs/dbraw/zinc/48/14/78/1031481478.db2.gz AHQMZFDQEJELMR-DNVCBOLYSA-N 1 3 304.453 3.907 20 0 DHADHO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000872087900 1031483398 /nfs/dbraw/zinc/48/33/98/1031483398.db2.gz MDYKKMVMSLDMDN-GJZGRUSLSA-N 1 3 306.416 3.819 20 0 DHADHO CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1(C)C ZINC000537294406 1031559468 /nfs/dbraw/zinc/55/94/68/1031559468.db2.gz CQDMURQATHHZSB-KZNAEPCWSA-N 1 3 310.526 3.536 20 0 DHADHO N[C@H](CC[NH2+]C1CCC(C(F)(F)F)CC1)Cc1ccccc1 ZINC000873234637 1031767767 /nfs/dbraw/zinc/76/77/67/1031767767.db2.gz HHELFRYAJSLRKD-HWOWSKLDSA-N 1 3 314.395 3.657 20 0 DHADHO [NH3+]CCCCCCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000846229614 1031937182 /nfs/dbraw/zinc/93/71/82/1031937182.db2.gz VZPLYWFVKBIGQJ-UFYCRDLUSA-N 1 3 316.489 3.890 20 0 DHADHO CCCC[N@H+](Cc1cc[nH]c(=O)c1)C1CC(C)(C)NC(C)(C)C1 ZINC000931033884 1032015912 /nfs/dbraw/zinc/01/59/12/1032015912.db2.gz LSWJLKIPHHXMFO-UHFFFAOYSA-N 1 3 319.493 3.699 20 0 DHADHO CCCC[N@@H+](Cc1cc[nH]c(=O)c1)C1CC(C)(C)NC(C)(C)C1 ZINC000931033884 1032015925 /nfs/dbraw/zinc/01/59/25/1032015925.db2.gz LSWJLKIPHHXMFO-UHFFFAOYSA-N 1 3 319.493 3.699 20 0 DHADHO CCCC[N@H+](C[C@@H]1C[C@]12CCOC2)C1CC(C)(C)NC(C)(C)C1 ZINC000931033928 1032016020 /nfs/dbraw/zinc/01/60/20/1032016020.db2.gz MVRASKCYHTYOAV-JXFKEZNVSA-N 1 3 322.537 3.824 20 0 DHADHO CCCC[N@@H+](C[C@@H]1C[C@]12CCOC2)C1CC(C)(C)NC(C)(C)C1 ZINC000931033928 1032016035 /nfs/dbraw/zinc/01/60/35/1032016035.db2.gz MVRASKCYHTYOAV-JXFKEZNVSA-N 1 3 322.537 3.824 20 0 DHADHO Cc1ccc2c(c1)C[C@H](N1CCC([NH3+])(c3ccccc3)CC1)CC2 ZINC001172827310 1033389381 /nfs/dbraw/zinc/38/93/81/1033389381.db2.gz BIGWJUUAMVXMDA-OAQYLSRUSA-N 1 3 320.480 3.802 20 0 DHADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001172852937 1033421792 /nfs/dbraw/zinc/42/17/92/1033421792.db2.gz WHLMHCLKLGRYEX-HZSPNIEDSA-N 1 3 312.860 3.873 20 0 DHADHO CC(C)N(CCC[NH3+])[C@H](C)CSc1ccc(Cl)cc1 ZINC001172874821 1033446991 /nfs/dbraw/zinc/44/69/91/1033446991.db2.gz IYKLRXAQYOOOJQ-CYBMUJFWSA-N 1 3 300.899 3.880 20 0 DHADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173039891 1033505548 /nfs/dbraw/zinc/50/55/48/1033505548.db2.gz RXXOKORMFOMONB-ROUUACIJSA-N 1 3 322.537 3.683 20 0 DHADHO CC[NH+](CC)C1CCC(N2CCC[C@@H]2c2cc(C)on2)CC1 ZINC001173108078 1033544887 /nfs/dbraw/zinc/54/48/87/1033544887.db2.gz DDXXSDSSRVODEB-LEOMRAHMSA-N 1 3 305.466 3.773 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000553331570 1033664311 /nfs/dbraw/zinc/66/43/11/1033664311.db2.gz MPVCGVAYZACUQX-IAGOWNOFSA-N 1 3 309.457 3.915 20 0 DHADHO CCCC[NH+]1CCC(N(C)C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173482141 1033740645 /nfs/dbraw/zinc/74/06/45/1033740645.db2.gz XYSKUGQLRJWCRN-UHFFFAOYSA-N 1 3 322.443 3.628 20 0 DHADHO Cc1c(CN2CCC(CCC[NH+]3CCCC3)CC2)ccnc1F ZINC000862250256 1033794145 /nfs/dbraw/zinc/79/41/45/1033794145.db2.gz LVMMODMATHMFNJ-UHFFFAOYSA-N 1 3 319.468 3.617 20 0 DHADHO CCCCO[C@@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000479518785 1033795616 /nfs/dbraw/zinc/79/56/16/1033795616.db2.gz SFOYXHXSZJDWMK-ZGUYJTEBSA-N 1 3 308.510 3.577 20 0 DHADHO CCC[N@H+](CCCN)C1CCC2(CCc3ccccc32)CC1 ZINC001173685784 1033830575 /nfs/dbraw/zinc/83/05/75/1033830575.db2.gz DZEXCNSKQKADAP-UHFFFAOYSA-N 1 3 300.490 3.874 20 0 DHADHO CCC[N@@H+](CCCN)C1CCC2(CCc3ccccc32)CC1 ZINC001173685784 1033830586 /nfs/dbraw/zinc/83/05/86/1033830586.db2.gz DZEXCNSKQKADAP-UHFFFAOYSA-N 1 3 300.490 3.874 20 0 DHADHO COc1ccc2oc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)c(C)c2c1 ZINC000479850359 1033927592 /nfs/dbraw/zinc/92/75/92/1033927592.db2.gz HKNHLKOJVNVMSK-CQSZACIVSA-N 1 3 318.461 3.988 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)nc3ccccc23)[C@H](C)C1 ZINC000174780888 1033956526 /nfs/dbraw/zinc/95/65/26/1033956526.db2.gz IWUQOYPFHQWHIA-FOIQADDNSA-N 1 3 311.473 3.705 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)nc3ccccc23)[C@H](C)C1 ZINC000174780888 1033956533 /nfs/dbraw/zinc/95/65/33/1033956533.db2.gz IWUQOYPFHQWHIA-FOIQADDNSA-N 1 3 311.473 3.705 20 0 DHADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccsc1 ZINC000178618378 1034253365 /nfs/dbraw/zinc/25/33/65/1034253365.db2.gz NZRZYBHHYFITJC-OAHLLOKOSA-N 1 3 318.486 3.929 20 0 DHADHO c1sc2ccccc2c1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168363000 1034256441 /nfs/dbraw/zinc/25/64/41/1034256441.db2.gz OZNDGNRFAQZANY-UHFFFAOYSA-N 1 3 300.471 3.865 20 0 DHADHO c1ccc(CCCCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000480546073 1034314189 /nfs/dbraw/zinc/31/41/89/1034314189.db2.gz FBZSRMWJPQDYBR-FQEVSTJZSA-N 1 3 300.490 3.817 20 0 DHADHO c1ccc(CCCC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000480546073 1034314202 /nfs/dbraw/zinc/31/42/02/1034314202.db2.gz FBZSRMWJPQDYBR-FQEVSTJZSA-N 1 3 300.490 3.817 20 0 DHADHO c1ccc(CCCC[N@H+]2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000480546073 1034314213 /nfs/dbraw/zinc/31/42/13/1034314213.db2.gz FBZSRMWJPQDYBR-FQEVSTJZSA-N 1 3 300.490 3.817 20 0 DHADHO COc1ccc([C@@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)c(F)c1 ZINC000480606447 1034349538 /nfs/dbraw/zinc/34/95/38/1034349538.db2.gz ANQKEUMSTOVVNG-JKSUJKDBSA-N 1 3 322.468 3.997 20 0 DHADHO COc1ccc([C@@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)c(F)c1 ZINC000480606447 1034349541 /nfs/dbraw/zinc/34/95/41/1034349541.db2.gz ANQKEUMSTOVVNG-JKSUJKDBSA-N 1 3 322.468 3.997 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cccc(COc2ccccc2)c1 ZINC000480906528 1034509443 /nfs/dbraw/zinc/50/94/43/1034509443.db2.gz DSQBWVWIFWPHMC-DYESRHJHSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(COc2ccccc2)c1 ZINC000480906528 1034509455 /nfs/dbraw/zinc/50/94/55/1034509455.db2.gz DSQBWVWIFWPHMC-DYESRHJHSA-N 1 3 324.468 3.695 20 0 DHADHO CN1CCN(c2ccc(Nc3cc[nH+]c(C(C)(C)C)c3)cc2)CC1 ZINC001174815497 1034617083 /nfs/dbraw/zinc/61/70/83/1034617083.db2.gz JJRRAQAWDZNDBN-UHFFFAOYSA-N 1 3 324.472 3.875 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cnc(Cl)c(F)c1 ZINC000865414322 1034634172 /nfs/dbraw/zinc/63/41/72/1034634172.db2.gz BFJMVJQGVSLNSK-ZDUSSCGKSA-N 1 3 313.848 3.618 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cnc(Cl)c(F)c1 ZINC000865414322 1034634179 /nfs/dbraw/zinc/63/41/79/1034634179.db2.gz BFJMVJQGVSLNSK-ZDUSSCGKSA-N 1 3 313.848 3.618 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000482062192 1035051887 /nfs/dbraw/zinc/05/18/87/1035051887.db2.gz QWYIBGDTWQXZRX-AYMQBJFKSA-N 1 3 324.871 3.986 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000482062192 1035051893 /nfs/dbraw/zinc/05/18/93/1035051893.db2.gz QWYIBGDTWQXZRX-AYMQBJFKSA-N 1 3 324.871 3.986 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000482314673 1035083257 /nfs/dbraw/zinc/08/32/57/1035083257.db2.gz FFWCMJGUBRCNQR-SPYBWZPUSA-N 1 3 304.453 3.769 20 0 DHADHO CCCOc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)c(C)c1 ZINC000668028144 1035095797 /nfs/dbraw/zinc/09/57/97/1035095797.db2.gz ZENIYVQLMZOFIZ-UHFFFAOYSA-N 1 3 316.489 3.844 20 0 DHADHO CCCOc1ccc(C[N@H+]2CCCC23CCN(C)CC3)c(C)c1 ZINC000668028144 1035095806 /nfs/dbraw/zinc/09/58/06/1035095806.db2.gz ZENIYVQLMZOFIZ-UHFFFAOYSA-N 1 3 316.489 3.844 20 0 DHADHO COc1ccc([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c(OC)c1 ZINC000483209749 1035241281 /nfs/dbraw/zinc/24/12/81/1035241281.db2.gz ZNDDKECYEYIRES-KDOFPFPSSA-N 1 3 322.493 3.721 20 0 DHADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484354984 1035331997 /nfs/dbraw/zinc/33/19/97/1035331997.db2.gz RTHFRAUKUIGEKI-UONOGXRCSA-N 1 3 306.416 3.771 20 0 DHADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484354984 1035331995 /nfs/dbraw/zinc/33/19/95/1035331995.db2.gz RTHFRAUKUIGEKI-UONOGXRCSA-N 1 3 306.416 3.771 20 0 DHADHO C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cc([O-])cc(Cl)c2)C1 ZINC001177298848 1035361115 /nfs/dbraw/zinc/36/11/15/1035361115.db2.gz GLEVPIWJELCNJD-AWEZNQCLSA-N 1 3 310.869 3.647 20 0 DHADHO C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc([O-])cc(Cl)c2)C1 ZINC001177298848 1035361119 /nfs/dbraw/zinc/36/11/19/1035361119.db2.gz GLEVPIWJELCNJD-AWEZNQCLSA-N 1 3 310.869 3.647 20 0 DHADHO C[C@H](C[NH2+]C[C@@H](C)CCc1ccccc1)CN1CCCCC1 ZINC001177416076 1035369947 /nfs/dbraw/zinc/36/99/47/1035369947.db2.gz HVFHNUILDXTANM-RBUKOAKNSA-N 1 3 302.506 3.967 20 0 DHADHO C[NH2+]Cc1ccccc1CNCc1ccc(C(F)F)c(F)c1 ZINC000904375849 1035408912 /nfs/dbraw/zinc/40/89/12/1035408912.db2.gz HWGQVSWRJMMELM-UHFFFAOYSA-N 1 3 308.347 3.773 20 0 DHADHO CC(C)CCn1cccc1C[NH2+]CC1(CN(C)C)CCCC1 ZINC001178449556 1035427293 /nfs/dbraw/zinc/42/72/93/1035427293.db2.gz SOHMKGREFGXMKB-UHFFFAOYSA-N 1 3 305.510 3.746 20 0 DHADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001180097427 1035583002 /nfs/dbraw/zinc/58/30/02/1035583002.db2.gz DVVCNKFNLAVAAT-XUVXKRRUSA-N 1 3 300.490 3.986 20 0 DHADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001180097427 1035583014 /nfs/dbraw/zinc/58/30/14/1035583014.db2.gz DVVCNKFNLAVAAT-XUVXKRRUSA-N 1 3 300.490 3.986 20 0 DHADHO C[C@H](C[N@H+](C)CC[C@H]1CCCCN1C)c1cc(F)cc(F)c1 ZINC001180097753 1035597010 /nfs/dbraw/zinc/59/70/10/1035597010.db2.gz HMQVSEAGUIZTSQ-RDTXWAMCSA-N 1 3 310.432 3.875 20 0 DHADHO C[C@H](C[N@@H+](C)CC[C@H]1CCCCN1C)c1cc(F)cc(F)c1 ZINC001180097753 1035597026 /nfs/dbraw/zinc/59/70/26/1035597026.db2.gz HMQVSEAGUIZTSQ-RDTXWAMCSA-N 1 3 310.432 3.875 20 0 DHADHO CO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000494489721 1035603871 /nfs/dbraw/zinc/60/38/71/1035603871.db2.gz DWZHABNFNLEAPG-OQIJWPOYSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H]1CCN(Cc2csc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205637849 1035674026 /nfs/dbraw/zinc/67/40/26/1035674026.db2.gz JLPAKPHSALYNEA-PWSUYJOCSA-N 1 3 306.397 3.574 20 0 DHADHO Cc1c([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)cnn1C(C)(C)C ZINC000191293493 1035678029 /nfs/dbraw/zinc/67/80/29/1035678029.db2.gz HEXZAJCQGUQCMZ-PBHICJAKSA-N 1 3 322.541 3.964 20 0 DHADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC001193649436 1035691713 /nfs/dbraw/zinc/69/17/13/1035691713.db2.gz QEGPPYFGVGRFIS-XUVXKRRUSA-N 1 3 300.490 3.862 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC001204278775 1035741019 /nfs/dbraw/zinc/74/10/19/1035741019.db2.gz HACXJDOJKQXKNR-UYAOXDASSA-N 1 3 314.517 3.943 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC001204278775 1035741037 /nfs/dbraw/zinc/74/10/37/1035741037.db2.gz HACXJDOJKQXKNR-UYAOXDASSA-N 1 3 314.517 3.943 20 0 DHADHO Clc1ccc([C@H]2OCC[C@H]2[NH2+]CCCN2CCCCC2)cc1 ZINC000192023078 1035747851 /nfs/dbraw/zinc/74/78/51/1035747851.db2.gz BGYHLFBKFPCPHK-QZTJIDSGSA-N 1 3 322.880 3.636 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@@H](CC)c2ccc3c(c2)CCCO3)C1 ZINC000153145532 1035765581 /nfs/dbraw/zinc/76/55/81/1035765581.db2.gz JEJFBKLKJFQPNK-APWZRJJASA-N 1 3 316.489 3.784 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@@H](CC)c2ccc3c(c2)CCCO3)C1 ZINC000153145532 1035765593 /nfs/dbraw/zinc/76/55/93/1035765593.db2.gz JEJFBKLKJFQPNK-APWZRJJASA-N 1 3 316.489 3.784 20 0 DHADHO Cc1ccc2cccc(C[NH2+]C3CCN(CC4CC4)CC3)c2n1 ZINC001168370593 1035983272 /nfs/dbraw/zinc/98/32/72/1035983272.db2.gz BWNNUEZUIHGGCB-UHFFFAOYSA-N 1 3 309.457 3.507 20 0 DHADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000540172271 1035995499 /nfs/dbraw/zinc/99/54/99/1035995499.db2.gz XPQUFGLSJMXIJM-OTWHNJEPSA-N 1 3 318.505 3.843 20 0 DHADHO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000540223118 1036017828 /nfs/dbraw/zinc/01/78/28/1036017828.db2.gz ZYPHJTUQFYFRIC-VCBZYWHSSA-N 1 3 316.489 3.792 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000540259591 1036024377 /nfs/dbraw/zinc/02/43/77/1036024377.db2.gz SAOCTDIUVXAUIX-KXBFYZLASA-N 1 3 304.453 3.988 20 0 DHADHO CCCC[N@H+](C)CC1CCN(C/C=C/c2ccncc2)CC1 ZINC000495080236 1036229693 /nfs/dbraw/zinc/22/96/93/1036229693.db2.gz QHAJWCJJOGSKBP-AATRIKPKSA-N 1 3 301.478 3.539 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(C/C=C/c2ccncc2)CC1 ZINC000495080236 1036229711 /nfs/dbraw/zinc/22/97/11/1036229711.db2.gz QHAJWCJJOGSKBP-AATRIKPKSA-N 1 3 301.478 3.539 20 0 DHADHO c1cc(N2CCC[N@@H+](CCC3CCCCCC3)CC2)ccn1 ZINC001195535360 1036281347 /nfs/dbraw/zinc/28/13/47/1036281347.db2.gz IQZRWAPYEDWJIP-UHFFFAOYSA-N 1 3 301.478 3.954 20 0 DHADHO c1cc(N2CCC[N@H+](CCC3CCCCCC3)CC2)ccn1 ZINC001195535360 1036281354 /nfs/dbraw/zinc/28/13/54/1036281354.db2.gz IQZRWAPYEDWJIP-UHFFFAOYSA-N 1 3 301.478 3.954 20 0 DHADHO C[C@@H](NCCOC1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601700 1036385169 /nfs/dbraw/zinc/38/51/69/1036385169.db2.gz NBIFVNRUUXCIPN-QZTJIDSGSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@@H](NCCOC1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601700 1036385187 /nfs/dbraw/zinc/38/51/87/1036385187.db2.gz NBIFVNRUUXCIPN-QZTJIDSGSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@@H]([NH2+]CCOC1CCCCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000541601700 1036385205 /nfs/dbraw/zinc/38/52/05/1036385205.db2.gz NBIFVNRUUXCIPN-QZTJIDSGSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@H]1CC(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)C[C@H](C)C1 ZINC001182817155 1036462896 /nfs/dbraw/zinc/46/28/96/1036462896.db2.gz RERWLTDTBTZOKB-NXMBOHNASA-N 1 3 322.537 3.682 20 0 DHADHO C[C@@H](CN(C)C)[C@@H]1CCCC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC001183066125 1036517749 /nfs/dbraw/zinc/51/77/49/1036517749.db2.gz UWXJKZXDEUJYGL-KSSFIOAISA-N 1 3 310.432 3.560 20 0 DHADHO C[C@@H](CN(C)C)[C@@H]1CCCC[N@H+]1CCc1ccc(F)c(F)c1 ZINC001183066125 1036517755 /nfs/dbraw/zinc/51/77/55/1036517755.db2.gz UWXJKZXDEUJYGL-KSSFIOAISA-N 1 3 310.432 3.560 20 0 DHADHO C/C(=C\c1cccc(C(F)(F)F)c1)CNC[C@H](C)C[NH+](C)C ZINC000491545455 1036600977 /nfs/dbraw/zinc/60/09/77/1036600977.db2.gz LEEQVRCJCARQKK-CZAWJFPGSA-N 1 3 314.395 3.896 20 0 DHADHO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](C)CN(C)C ZINC000491545455 1036600993 /nfs/dbraw/zinc/60/09/93/1036600993.db2.gz LEEQVRCJCARQKK-CZAWJFPGSA-N 1 3 314.395 3.896 20 0 DHADHO COc1ccccc1-c1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000491589219 1036615309 /nfs/dbraw/zinc/61/53/09/1036615309.db2.gz OYQMGLVCNZSCLE-INIZCTEOSA-N 1 3 312.457 3.650 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000637906159 1036624408 /nfs/dbraw/zinc/62/44/08/1036624408.db2.gz QURXZJPVGOIUNX-UHFFFAOYSA-N 1 3 311.420 3.573 20 0 DHADHO C[C@H]([NH2+]C/C=C\c1ccncc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000487566652 1036686721 /nfs/dbraw/zinc/68/67/21/1036686721.db2.gz WQPCUSJSIDOXCZ-BAZGULGGSA-N 1 3 321.468 3.595 20 0 DHADHO C[C@@H]1CN(Cc2ccc3ccccc3c2)CCN1c1cc[nH+]cc1 ZINC001197368838 1036766378 /nfs/dbraw/zinc/76/63/78/1036766378.db2.gz NEVTXPBIXXYGPL-QGZVFWFLSA-N 1 3 317.436 3.946 20 0 DHADHO C[C@@H]1C[N@H+](CCC2CCCCCC2)CCN1c1ccncc1 ZINC001197376858 1036769087 /nfs/dbraw/zinc/76/90/87/1036769087.db2.gz IILZUIGSTUIZFP-QGZVFWFLSA-N 1 3 301.478 3.953 20 0 DHADHO C[C@@H]1C[N@@H+](CCC2CCCCCC2)CCN1c1ccncc1 ZINC001197376858 1036769117 /nfs/dbraw/zinc/76/91/17/1036769117.db2.gz IILZUIGSTUIZFP-QGZVFWFLSA-N 1 3 301.478 3.953 20 0 DHADHO COc1cc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)ccc1C ZINC000924832557 1036924127 /nfs/dbraw/zinc/92/41/27/1036924127.db2.gz UAILTBFUMFOWPX-INIZCTEOSA-N 1 3 312.457 3.916 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3ccc(F)cc3[nH]2)C[C@@H]1C ZINC000488304584 1036958250 /nfs/dbraw/zinc/95/82/50/1036958250.db2.gz WQYMFWHAXUADHG-SUMWQHHRSA-N 1 3 303.425 3.612 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)C[C@@H]1C ZINC000488304584 1036958263 /nfs/dbraw/zinc/95/82/63/1036958263.db2.gz WQYMFWHAXUADHG-SUMWQHHRSA-N 1 3 303.425 3.612 20 0 DHADHO CC1CCN(CCC[NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000236844712 1036983900 /nfs/dbraw/zinc/98/39/00/1036983900.db2.gz MYZUOJDFNADLIP-UHFFFAOYSA-N 1 3 304.453 3.783 20 0 DHADHO Cc1ccsc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000237771873 1037025240 /nfs/dbraw/zinc/02/52/40/1037025240.db2.gz IHWMMTTUJHWLCX-UHFFFAOYSA-N 1 3 314.498 3.853 20 0 DHADHO Cc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c2ccccc2n1 ZINC000488719955 1037116478 /nfs/dbraw/zinc/11/64/78/1037116478.db2.gz ZNRVDLMLFNLHCE-ZRGWGRIASA-N 1 3 309.457 3.710 20 0 DHADHO Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c2ccccc2n1 ZINC000488719955 1037116490 /nfs/dbraw/zinc/11/64/90/1037116490.db2.gz ZNRVDLMLFNLHCE-ZRGWGRIASA-N 1 3 309.457 3.710 20 0 DHADHO CCCc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)c2ccccc2n1 ZINC000488716378 1037117174 /nfs/dbraw/zinc/11/71/74/1037117174.db2.gz BVDGRGAEEYXXLY-FQEVSTJZSA-N 1 3 309.457 3.719 20 0 DHADHO CCCc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1 ZINC000488716378 1037117188 /nfs/dbraw/zinc/11/71/88/1037117188.db2.gz BVDGRGAEEYXXLY-FQEVSTJZSA-N 1 3 309.457 3.719 20 0 DHADHO Cc1ccc(C)c(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309651723 1037169536 /nfs/dbraw/zinc/16/95/36/1037169536.db2.gz GXMGKXHPZJIHGB-HXUWFJFHSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1ccc(C)c(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309651723 1037169546 /nfs/dbraw/zinc/16/95/46/1037169546.db2.gz GXMGKXHPZJIHGB-HXUWFJFHSA-N 1 3 308.469 3.915 20 0 DHADHO C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309685306 1037169630 /nfs/dbraw/zinc/16/96/30/1037169630.db2.gz APAORFZGVGTQOM-APWZRJJASA-N 1 3 312.432 3.826 20 0 DHADHO CC(C)[NH+](CCCNC[C@@H]1CCOc2ccccc21)C(C)C ZINC001200921975 1037464798 /nfs/dbraw/zinc/46/47/98/1037464798.db2.gz KIYGXFMGLXTQML-KRWDZBQOSA-N 1 3 304.478 3.651 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(C(C)C)cc32)C1 ZINC000489563300 1037489240 /nfs/dbraw/zinc/48/92/40/1037489240.db2.gz WEGSQNXCNRDWMA-APWZRJJASA-N 1 3 316.489 3.955 20 0 DHADHO CC[N@H+]([C@H]1CCOC1)C1CCN(C[C@H](C)CCC=C(C)C)CC1 ZINC001201492214 1037716737 /nfs/dbraw/zinc/71/67/37/1037716737.db2.gz YGBXIWQTZALTGH-QUCCMNQESA-N 1 3 322.537 3.944 20 0 DHADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(C[C@H](C)CCC=C(C)C)CC1 ZINC001201492214 1037716751 /nfs/dbraw/zinc/71/67/51/1037716751.db2.gz YGBXIWQTZALTGH-QUCCMNQESA-N 1 3 322.537 3.944 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000037644169 1037838160 /nfs/dbraw/zinc/83/81/60/1037838160.db2.gz XWGIBMOGXBUECZ-NWDGAFQWSA-N 1 3 301.261 3.986 20 0 DHADHO CS[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001201857829 1037909247 /nfs/dbraw/zinc/90/92/47/1037909247.db2.gz SZBIRXZMZLBFQA-ZWKOTPCHSA-N 1 3 310.551 3.905 20 0 DHADHO Cc1cscc1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000494497426 1038127736 /nfs/dbraw/zinc/12/77/36/1038127736.db2.gz RTOFCOHCENFYPC-OAHLLOKOSA-N 1 3 318.486 3.848 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)ccc1OC ZINC000775381103 1038308109 /nfs/dbraw/zinc/30/81/09/1038308109.db2.gz ATYRKAHTEUURPK-VYDXJSESSA-N 1 3 304.478 3.844 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1CN1CCCCC1 ZINC000775383732 1038311320 /nfs/dbraw/zinc/31/13/20/1038311320.db2.gz PGZPQEAWIPFLRD-RYRKJORJSA-N 1 3 316.489 3.988 20 0 DHADHO COc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000572047914 1038321484 /nfs/dbraw/zinc/32/14/84/1038321484.db2.gz ZYJCWBZDGCNJIY-HNNXBMFYSA-N 1 3 322.880 3.512 20 0 DHADHO COc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000573790547 1039080642 /nfs/dbraw/zinc/08/06/42/1039080642.db2.gz OUOJCUMFIAPZTQ-INIZCTEOSA-N 1 3 322.880 3.512 20 0 DHADHO CN1CCC2(CC1)C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccc1O2 ZINC000573982834 1039191273 /nfs/dbraw/zinc/19/12/73/1039191273.db2.gz WEJGOSRNJXDVLC-QGZVFWFLSA-N 1 3 314.473 3.753 20 0 DHADHO CC(C)(C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)CN1CCCC1 ZINC000574726789 1039770926 /nfs/dbraw/zinc/77/09/26/1039770926.db2.gz QNTIHPDSFIWBPR-UHFFFAOYSA-N 1 3 322.443 3.922 20 0 DHADHO CCSC1(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000595100604 1040064785 /nfs/dbraw/zinc/06/47/85/1040064785.db2.gz SOULILAZSYYDAE-DOTOQJQBSA-N 1 3 310.551 3.905 20 0 DHADHO C[NH2+]CC1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000063158963 1040136400 /nfs/dbraw/zinc/13/64/00/1040136400.db2.gz QDKVQYXNBGXXRB-UHFFFAOYSA-N 1 3 318.408 3.730 20 0 DHADHO C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000608510649 1040533731 /nfs/dbraw/zinc/53/37/31/1040533731.db2.gz NPBJCMPILINYNV-LJQANCHMSA-N 1 3 312.432 3.780 20 0 DHADHO C[N@H+](Cc1ccc(F)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000608510649 1040533750 /nfs/dbraw/zinc/53/37/50/1040533750.db2.gz NPBJCMPILINYNV-LJQANCHMSA-N 1 3 312.432 3.780 20 0 DHADHO COc1ccc2cc(CN(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2c1 ZINC000093643874 193280367 /nfs/dbraw/zinc/28/03/67/193280367.db2.gz MBCIQSNSLLDXFJ-KXBFYZLASA-N 1 3 312.457 3.763 20 0 DHADHO COc1ccc2cc(CN(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2c1 ZINC000093643874 193280369 /nfs/dbraw/zinc/28/03/69/193280369.db2.gz MBCIQSNSLLDXFJ-KXBFYZLASA-N 1 3 312.457 3.763 20 0 DHADHO CC[NH+]1CCC(N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000040227693 183047833 /nfs/dbraw/zinc/04/78/33/183047833.db2.gz YIJVDLIEVSZJGC-MRXNPFEDSA-N 1 3 323.278 3.510 20 0 DHADHO CC1CC[NH+](CCCCN[C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281305424 130851594 /nfs/dbraw/zinc/85/15/94/130851594.db2.gz RNWWSJAQHGMZCY-LJQANCHMSA-N 1 3 319.468 3.774 20 0 DHADHO CCS[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297780681 132033789 /nfs/dbraw/zinc/03/37/89/132033789.db2.gz WFJZODFHVQYQCR-AEFFLSMTSA-N 1 3 319.518 3.704 20 0 DHADHO C[C@@H](NCCCC[NH+](C)C)c1ccc(Oc2ccccc2)cn1 ZINC000297788013 132034051 /nfs/dbraw/zinc/03/40/51/132034051.db2.gz PWNUTZOGAJAWSP-MRXNPFEDSA-N 1 3 313.445 3.866 20 0 DHADHO Cc1ccc(C[NH+](C)C)cc1NC1CCN(c2ccncc2)CC1 ZINC000298286850 132054654 /nfs/dbraw/zinc/05/46/54/132054654.db2.gz HBLNIYBAMGYAJT-UHFFFAOYSA-N 1 3 324.472 3.533 20 0 DHADHO COc1ccc([C@@H](NCc2ccc(C[NH+](C)C)cc2)C2CC2)cc1 ZINC000171127989 332855198 /nfs/dbraw/zinc/85/51/98/332855198.db2.gz FPHDFGLCNQCCPY-NRFANRHFSA-N 1 3 324.468 3.998 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000518398061 332025469 /nfs/dbraw/zinc/02/54/69/332025469.db2.gz ZDKQYUMKEVKWMP-LSDHHAIUSA-N 1 3 312.379 3.597 20 0 DHADHO N[C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000518398061 332025471 /nfs/dbraw/zinc/02/54/71/332025471.db2.gz ZDKQYUMKEVKWMP-LSDHHAIUSA-N 1 3 312.379 3.597 20 0 DHADHO COC1(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCCC1 ZINC000449348751 332060524 /nfs/dbraw/zinc/06/05/24/332060524.db2.gz VHBGNJSVOOSJAC-WMZOPIPTSA-N 1 3 308.510 3.578 20 0 DHADHO COC1(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CCCC1 ZINC000449348751 332060525 /nfs/dbraw/zinc/06/05/25/332060525.db2.gz VHBGNJSVOOSJAC-WMZOPIPTSA-N 1 3 308.510 3.578 20 0 DHADHO COc1ccccc1[C@H](NC1CC[NH+](C)CC1)C1CCCC1 ZINC000091266422 332102568 /nfs/dbraw/zinc/10/25/68/332102568.db2.gz GGYUVERHTXWAKA-LJQANCHMSA-N 1 3 302.462 3.610 20 0 DHADHO CCCN1CCC([N@H+](C)Cc2ccc3nc(C)sc3c2)CC1 ZINC000426410243 332127810 /nfs/dbraw/zinc/12/78/10/332127810.db2.gz INJJMAVLFHCNLX-UHFFFAOYSA-N 1 3 317.502 3.911 20 0 DHADHO CCCN1CCC([N@@H+](C)Cc2ccc3nc(C)sc3c2)CC1 ZINC000426410243 332127812 /nfs/dbraw/zinc/12/78/12/332127812.db2.gz INJJMAVLFHCNLX-UHFFFAOYSA-N 1 3 317.502 3.911 20 0 DHADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC[C@H]1C)CC2 ZINC000317730342 332139866 /nfs/dbraw/zinc/13/98/66/332139866.db2.gz VRTRBUABNLGSQG-BEFAXECRSA-N 1 3 302.462 3.537 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCOC2(C)C)CC1 ZINC000449413466 332153253 /nfs/dbraw/zinc/15/32/53/332153253.db2.gz HDXIYKUZLVTDHZ-INIZCTEOSA-N 1 3 310.526 3.823 20 0 DHADHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000449413466 332153255 /nfs/dbraw/zinc/15/32/55/332153255.db2.gz HDXIYKUZLVTDHZ-INIZCTEOSA-N 1 3 310.526 3.823 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CCO)CCCC2)CC1 ZINC000363758248 332241749 /nfs/dbraw/zinc/24/17/49/332241749.db2.gz GVMSTIJDUFJVTI-MJGOQNOKSA-N 1 3 322.537 3.562 20 0 DHADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(CCO)CCCC2)CC1 ZINC000363758248 332241750 /nfs/dbraw/zinc/24/17/50/332241750.db2.gz GVMSTIJDUFJVTI-MJGOQNOKSA-N 1 3 322.537 3.562 20 0 DHADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559399462 332256172 /nfs/dbraw/zinc/25/61/72/332256172.db2.gz FIQLZMNKAVINJQ-FUHWJXTLSA-N 1 3 322.880 3.668 20 0 DHADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559399462 332256173 /nfs/dbraw/zinc/25/61/73/332256173.db2.gz FIQLZMNKAVINJQ-FUHWJXTLSA-N 1 3 322.880 3.668 20 0 DHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCOC(C)(C)C ZINC000531094402 332258559 /nfs/dbraw/zinc/25/85/59/332258559.db2.gz ZHBCXOILWFZDMC-UHFFFAOYSA-N 1 3 306.494 3.549 20 0 DHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCOC(C)(C)C ZINC000531094402 332258560 /nfs/dbraw/zinc/25/85/60/332258560.db2.gz ZHBCXOILWFZDMC-UHFFFAOYSA-N 1 3 306.494 3.549 20 0 DHADHO CC(C)[N@H+](C)CC1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000560467514 332342331 /nfs/dbraw/zinc/34/23/31/332342331.db2.gz IISQOYAXUJELNV-UHFFFAOYSA-N 1 3 314.473 3.515 20 0 DHADHO CC(C)[N@@H+](C)CC1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000560467514 332342333 /nfs/dbraw/zinc/34/23/33/332342333.db2.gz IISQOYAXUJELNV-UHFFFAOYSA-N 1 3 314.473 3.515 20 0 DHADHO COCc1ccccc1/C=C(/C)CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000560524369 332350597 /nfs/dbraw/zinc/35/05/97/332350597.db2.gz WFYRLQJMEBRFJF-PNDHZVEESA-N 1 3 316.489 3.556 20 0 DHADHO COCc1ccccc1/C=C(/C)CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000560524369 332350599 /nfs/dbraw/zinc/35/05/99/332350599.db2.gz WFYRLQJMEBRFJF-PNDHZVEESA-N 1 3 316.489 3.556 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Sc1ccccc1 ZINC000560525155 332351493 /nfs/dbraw/zinc/35/14/93/332351493.db2.gz XLYDWXYMYXEVNA-BZZMCLGOSA-N 1 3 304.503 3.630 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Sc1ccccc1 ZINC000560525155 332351494 /nfs/dbraw/zinc/35/14/94/332351494.db2.gz XLYDWXYMYXEVNA-BZZMCLGOSA-N 1 3 304.503 3.630 20 0 DHADHO Cc1nc2ccccc2c(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1C ZINC000561419159 332449204 /nfs/dbraw/zinc/44/92/04/332449204.db2.gz CJJFHSQEEIYOJS-YOEHRIQHSA-N 1 3 309.457 3.915 20 0 DHADHO COc1cc([C@H](C)NCc2cccc(C[NH+](C)C)c2)ccc1F ZINC000152727826 332491193 /nfs/dbraw/zinc/49/11/93/332491193.db2.gz MYRNJINZPMCMBL-AWEZNQCLSA-N 1 3 316.420 3.747 20 0 DHADHO CN1CCC2(CC1)C[C@H]([NH2+]C1(C3CC3)CC1)c1ccccc1O2 ZINC000562363567 332584635 /nfs/dbraw/zinc/58/46/35/332584635.db2.gz BGRPLSODHMIIFV-KRWDZBQOSA-N 1 3 312.457 3.507 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000190835375 335123984 /nfs/dbraw/zinc/12/39/84/335123984.db2.gz FVCHMQBXWDKGPJ-CYBMUJFWSA-N 1 3 312.379 3.588 20 0 DHADHO CCc1cc(OC)ccc1CNCc1ccc(C[NH+](C)C)cc1 ZINC000501439482 333273789 /nfs/dbraw/zinc/27/37/89/333273789.db2.gz ABNOVLXTWINGJO-UHFFFAOYSA-N 1 3 312.457 3.609 20 0 DHADHO CC(C)CN1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000221942284 333383072 /nfs/dbraw/zinc/38/30/72/333383072.db2.gz BXILVKFYOYMASE-QGZVFWFLSA-N 1 3 304.503 3.934 20 0 DHADHO COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000390776563 333392218 /nfs/dbraw/zinc/39/22/18/333392218.db2.gz OZWBTDZPEAKLLD-HKUYNNGSSA-N 1 3 318.505 3.692 20 0 DHADHO CC(C)CCOCCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390788159 333393429 /nfs/dbraw/zinc/39/34/29/333393429.db2.gz DAUMYUGQWGKIEA-ICSRJNTNSA-N 1 3 318.505 3.549 20 0 DHADHO CC(C)CCOCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390788159 333393430 /nfs/dbraw/zinc/39/34/30/333393430.db2.gz DAUMYUGQWGKIEA-ICSRJNTNSA-N 1 3 318.505 3.549 20 0 DHADHO [NH3+]Cc1ccc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000563153629 333398111 /nfs/dbraw/zinc/39/81/11/333398111.db2.gz BWJCSZVPSOBFHJ-FQEVSTJZSA-N 1 3 322.452 3.638 20 0 DHADHO Cc1ccncc1[C@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000271384243 334022528 /nfs/dbraw/zinc/02/25/28/334022528.db2.gz IWDRUOSARFQHCA-KRWDZBQOSA-N 1 3 309.457 3.837 20 0 DHADHO Cc1ccc(COc2ccc(CN3C[C@H](C[NH3+])C[C@H]3C)cc2)cc1 ZINC000414658366 334058629 /nfs/dbraw/zinc/05/86/29/334058629.db2.gz JHLSHOGOAPRHJM-XLIONFOSSA-N 1 3 324.468 3.743 20 0 DHADHO COc1ccc(-c2ccccc2)cc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000414669132 334063840 /nfs/dbraw/zinc/06/38/40/334063840.db2.gz KEFBFVNHFGSCTA-YSIASYRMSA-N 1 3 322.452 3.531 20 0 DHADHO C[C@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000343531773 335175433 /nfs/dbraw/zinc/17/54/33/335175433.db2.gz OGSYIPSOWXKMGI-MIALQEHNSA-N 1 3 316.489 3.714 20 0 DHADHO CCN(Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414720192 334073652 /nfs/dbraw/zinc/07/36/52/334073652.db2.gz XLWKEJCILVFUFI-CQSZACIVSA-N 1 3 316.367 3.549 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414799634 334101958 /nfs/dbraw/zinc/10/19/58/334101958.db2.gz KEUAQNZNJGLTHH-XHDPSFHLSA-N 1 3 301.261 3.643 20 0 DHADHO NC[C@H]1CCC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414799630 334101978 /nfs/dbraw/zinc/10/19/78/334101978.db2.gz KEUAQNZNJGLTHH-IAQYHMDHSA-N 1 3 301.261 3.643 20 0 DHADHO CCC([NH3+])(CC)CN[C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000414804480 334103958 /nfs/dbraw/zinc/10/39/58/334103958.db2.gz FGAWLQUSOWFYIV-CYBMUJFWSA-N 1 3 314.420 3.716 20 0 DHADHO COc1ccc(C2CCC([NH2+][C@@H]3CCCC[C@@H]3CN)CC2)cc1 ZINC000414809885 334104790 /nfs/dbraw/zinc/10/47/90/334104790.db2.gz UUAQQIJQZBRVLJ-UNFQPLIOSA-N 1 3 316.489 3.829 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414822228 334108317 /nfs/dbraw/zinc/10/83/17/334108317.db2.gz MVQUUADYFRMNAB-FRRDWIJNSA-N 1 3 300.899 3.700 20 0 DHADHO NC[C@H]([NH2+]Cc1cnc(C2CCCC2)s1)C1CCCCC1 ZINC000414831087 334110631 /nfs/dbraw/zinc/11/06/31/334110631.db2.gz BXXOCYRSKRIMEB-INIZCTEOSA-N 1 3 307.507 3.798 20 0 DHADHO Clc1ccc([C@H]2CCC[C@@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414840160 334112268 /nfs/dbraw/zinc/11/22/68/334112268.db2.gz XYUCCAKUDATMRD-CIQAELJKSA-N 1 3 304.865 3.849 20 0 DHADHO Cc1ccc(-c2nc(CNCC[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414847302 334119529 /nfs/dbraw/zinc/11/95/29/334119529.db2.gz IUBDEGPKRGFWGJ-HNNXBMFYSA-N 1 3 315.486 3.598 20 0 DHADHO C[C@H](NCc1ccc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414858325 334131740 /nfs/dbraw/zinc/13/17/40/334131740.db2.gz RKFILMAKIAHWDX-GOEBONIOSA-N 1 3 300.471 3.893 20 0 DHADHO C[C@@H](NCc1ccc(-c2ccccc2)s1)[C@H]1CCC[NH2+]C1 ZINC000414858327 334131753 /nfs/dbraw/zinc/13/17/53/334131753.db2.gz RKFILMAKIAHWDX-ZBFHGGJFSA-N 1 3 300.471 3.893 20 0 DHADHO COc1ccc(C2CCC([NH2+][C@@H](C)[C@@H]3CCCNC3)CC2)cc1 ZINC000414862335 334133367 /nfs/dbraw/zinc/13/33/67/334133367.db2.gz XIEIEUQUDHLGCY-MEWCUZTCSA-N 1 3 316.489 3.699 20 0 DHADHO C[C@@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)[C@H]1CCCNC1 ZINC000414865674 334135854 /nfs/dbraw/zinc/13/58/54/334135854.db2.gz ZLJUUVSXUPXIID-WSCVDHEUSA-N 1 3 300.490 3.865 20 0 DHADHO C[C@@H](C[NH2+]C[C@@]1(C)CCCNC1)c1ccc(C(F)(F)F)cc1 ZINC000414897989 334161284 /nfs/dbraw/zinc/16/12/84/334161284.db2.gz AOLAOURULKYNRI-BBRMVZONSA-N 1 3 314.395 3.788 20 0 DHADHO CC(C)O[C@@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)c1ccccc1 ZINC000292805361 334192659 /nfs/dbraw/zinc/19/26/59/334192659.db2.gz LAZNJKVNYHBTPU-OALUTQOASA-N 1 3 304.478 3.569 20 0 DHADHO CC(C)O[C@@H](C[N@H+]1CCC[C@H](N(C)C)CC1)c1ccccc1 ZINC000292805361 334192660 /nfs/dbraw/zinc/19/26/60/334192660.db2.gz LAZNJKVNYHBTPU-OALUTQOASA-N 1 3 304.478 3.569 20 0 DHADHO C[C@H](CC1CCOCC1)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414931940 334194990 /nfs/dbraw/zinc/19/49/90/334194990.db2.gz CDBBDIRECLBYAI-FOIQADDNSA-N 1 3 312.457 3.634 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414934517 334197135 /nfs/dbraw/zinc/19/71/35/334197135.db2.gz FCURESGZFRVRQP-DJSGYFEHSA-N 1 3 315.288 3.902 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414934517 334197136 /nfs/dbraw/zinc/19/71/36/334197136.db2.gz FCURESGZFRVRQP-DJSGYFEHSA-N 1 3 315.288 3.902 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000414949447 334206364 /nfs/dbraw/zinc/20/63/64/334206364.db2.gz NLEHGEQNKNNAQI-BEKAIBRUSA-N 1 3 316.489 3.840 20 0 DHADHO Cc1cc(N)cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000414968643 334215408 /nfs/dbraw/zinc/21/54/08/334215408.db2.gz SBRTYOIXJUFLBP-LAUBAEHRSA-N 1 3 323.484 3.720 20 0 DHADHO Cc1cc(N)cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000414968643 334215410 /nfs/dbraw/zinc/21/54/10/334215410.db2.gz SBRTYOIXJUFLBP-LAUBAEHRSA-N 1 3 323.484 3.720 20 0 DHADHO CC(C)C[C@H](N)C[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000415088135 334276587 /nfs/dbraw/zinc/27/65/87/334276587.db2.gz USRMEMNTMHUIQN-SFHVURJKSA-N 1 3 312.457 3.695 20 0 DHADHO c1ccc([C@@H]2C[C@@H](NCc3ccc4c(c3)CCCN4)CC[NH2+]2)cc1 ZINC000414983447 334227402 /nfs/dbraw/zinc/22/74/02/334227402.db2.gz TZFZZPGMNZLZDP-FPOVZHCZSA-N 1 3 321.468 3.628 20 0 DHADHO c1ccc([C@H]2C[C@@H](NCc3ccc4c(c3)CCCN4)CC[NH2+]2)cc1 ZINC000414983452 334227436 /nfs/dbraw/zinc/22/74/36/334227436.db2.gz TZFZZPGMNZLZDP-PZJWPPBQSA-N 1 3 321.468 3.628 20 0 DHADHO C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414992001 334230734 /nfs/dbraw/zinc/23/07/34/334230734.db2.gz BKUYVSOMYPVIJF-IAAVTCLWSA-N 1 3 304.453 3.687 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](CNCc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415002666 334240531 /nfs/dbraw/zinc/24/05/31/334240531.db2.gz WDWPNWVXUCYYRF-ZWNOBZJWSA-N 1 3 320.786 3.966 20 0 DHADHO C[C@H](CCCC[NH3+])NCc1ccc(Cl)cc1Br ZINC000415009219 334252480 /nfs/dbraw/zinc/25/24/80/334252480.db2.gz FBTQWVXKINJUJQ-SNVBAGLBSA-N 1 3 319.674 3.710 20 0 DHADHO [NH3+]C[C@H]1CC[C@H](CNCc2csc(-c3cccs3)n2)CC1 ZINC000415025868 334259935 /nfs/dbraw/zinc/25/99/35/334259935.db2.gz RJYZXPUVVZSYFP-JOCQHMNTSA-N 1 3 321.515 3.726 20 0 DHADHO c1ccc(-c2cccc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)nc1 ZINC000415033833 334260234 /nfs/dbraw/zinc/26/02/34/334260234.db2.gz CCGFTSDVNZLTJN-TZIWHRDSSA-N 1 3 321.468 3.713 20 0 DHADHO [NH3+]C[C@H]1CC[C@H](NCc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000415048238 334261533 /nfs/dbraw/zinc/26/15/33/334261533.db2.gz WRKBASRMYAFDTO-BBRMVZONSA-N 1 3 322.880 3.878 20 0 DHADHO CC(C)Cc1ncc(CN[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000415059671 334261960 /nfs/dbraw/zinc/26/19/60/334261960.db2.gz VIAREOZARCDXKJ-QGZVFWFLSA-N 1 3 317.502 3.911 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000415080910 334271246 /nfs/dbraw/zinc/27/12/46/334271246.db2.gz MIQARLLIXNZITJ-FHLIZLRMSA-N 1 3 304.453 3.614 20 0 DHADHO COCC[N@H+](C)CCCN[C@@H](C)c1cc2ccccc2s1 ZINC000187763674 334271397 /nfs/dbraw/zinc/27/13/97/334271397.db2.gz YYXHCZGVBOWSDX-AWEZNQCLSA-N 1 3 306.475 3.520 20 0 DHADHO COCC[N@@H+](C)CCCN[C@@H](C)c1cc2ccccc2s1 ZINC000187763674 334271399 /nfs/dbraw/zinc/27/13/99/334271399.db2.gz YYXHCZGVBOWSDX-AWEZNQCLSA-N 1 3 306.475 3.520 20 0 DHADHO C[C@H](CNC[C@@]1(C)CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415089810 334279947 /nfs/dbraw/zinc/27/99/47/334279947.db2.gz YDQNKXWGFQJBOV-ABAIWWIYSA-N 1 3 301.261 3.686 20 0 DHADHO c1ccc2c(c1)C1C[C@H](C[NH2+]C3CCNCC3)C2c2ccccc21 ZINC000415110962 334281906 /nfs/dbraw/zinc/28/19/06/334281906.db2.gz QUPZEMJXNBEYIU-IYJORBIASA-N 1 3 318.464 3.625 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415115496 334283690 /nfs/dbraw/zinc/28/36/90/334283690.db2.gz YLUGCBLTKCFPRC-MDNKFWRPSA-N 1 3 316.489 3.665 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(Oc2ccccc2)cc1 ZINC000531962007 334312638 /nfs/dbraw/zinc/31/26/38/334312638.db2.gz KUEKSKZEQOGWFZ-UZLBHIALSA-N 1 3 310.441 3.909 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(Oc2ccccc2)cc1 ZINC000531962007 334312639 /nfs/dbraw/zinc/31/26/39/334312639.db2.gz KUEKSKZEQOGWFZ-UZLBHIALSA-N 1 3 310.441 3.909 20 0 DHADHO CCSCCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000340903248 334389682 /nfs/dbraw/zinc/38/96/82/334389682.db2.gz NATBXLXKNONJJP-LJQANCHMSA-N 1 3 318.530 3.728 20 0 DHADHO CCSCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000340903248 334389684 /nfs/dbraw/zinc/38/96/84/334389684.db2.gz NATBXLXKNONJJP-LJQANCHMSA-N 1 3 318.530 3.728 20 0 DHADHO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342822053 334581145 /nfs/dbraw/zinc/58/11/45/334581145.db2.gz FGSCMVQYEWRYIA-HZPDHXFCSA-N 1 3 304.478 3.684 20 0 DHADHO CC[NH+](CC)CCOCCN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426016464 334899103 /nfs/dbraw/zinc/89/91/03/334899103.db2.gz IRXUGHWDJBWJSG-INIZCTEOSA-N 1 3 318.461 3.750 20 0 DHADHO CCCC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccccc1 ZINC000344003468 335212011 /nfs/dbraw/zinc/21/20/11/335212011.db2.gz IUQRKVRILQWKPN-HXUWFJFHSA-N 1 3 317.521 3.535 20 0 DHADHO Cc1cc(Cl)cc2c1OCCC[C@H]2NCC1=CC[N@H+](C)CC1 ZINC000344300309 335238453 /nfs/dbraw/zinc/23/84/53/335238453.db2.gz ULNGQKRXUBACFT-QGZVFWFLSA-N 1 3 320.864 3.714 20 0 DHADHO Cc1cc(Cl)cc2c1OCCC[C@H]2NCC1=CC[N@@H+](C)CC1 ZINC000344300309 335238454 /nfs/dbraw/zinc/23/84/54/335238454.db2.gz ULNGQKRXUBACFT-QGZVFWFLSA-N 1 3 320.864 3.714 20 0 DHADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000344303961 335238757 /nfs/dbraw/zinc/23/87/57/335238757.db2.gz MOGDXNBLESVULR-INIZCTEOSA-N 1 3 307.441 3.661 20 0 DHADHO Cc1cccc2c1ncc(C)c2NCC1CC[NH+](C2CC2)CC1 ZINC000444876925 338491234 /nfs/dbraw/zinc/49/12/34/338491234.db2.gz VQELJUBIZOLABA-UHFFFAOYSA-N 1 3 309.457 3.560 20 0 DHADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417952512 336026869 /nfs/dbraw/zinc/02/68/69/336026869.db2.gz MZZYUGCSYGZVKD-IHPCNDPISA-N 1 3 300.490 3.748 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417952512 336026870 /nfs/dbraw/zinc/02/68/70/336026870.db2.gz MZZYUGCSYGZVKD-IHPCNDPISA-N 1 3 300.490 3.748 20 0 DHADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417952512 336026871 /nfs/dbraw/zinc/02/68/71/336026871.db2.gz MZZYUGCSYGZVKD-IHPCNDPISA-N 1 3 300.490 3.748 20 0 DHADHO C[NH+]1CCC(C)(CNCc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000324467917 336221826 /nfs/dbraw/zinc/22/18/26/336221826.db2.gz CUGOJLHFYNJHBO-UHFFFAOYSA-N 1 3 316.420 3.907 20 0 DHADHO CC[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cn1 ZINC000352567240 336225044 /nfs/dbraw/zinc/22/50/44/336225044.db2.gz ILRVGQBASKKHBZ-RDJZCZTQSA-N 1 3 307.457 3.774 20 0 DHADHO CC[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)cn1 ZINC000352567240 336225045 /nfs/dbraw/zinc/22/50/45/336225045.db2.gz ILRVGQBASKKHBZ-RDJZCZTQSA-N 1 3 307.457 3.774 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C1 ZINC000580363606 336260343 /nfs/dbraw/zinc/26/03/43/336260343.db2.gz GFRXXENDZVMQMS-IPMKNSEASA-N 1 3 315.505 3.736 20 0 DHADHO Fc1cc(F)cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192926745 336284518 /nfs/dbraw/zinc/28/45/18/336284518.db2.gz MEJJURCTHAAUHG-MRXNPFEDSA-N 1 3 316.395 3.577 20 0 DHADHO Cc1[nH+]c2ccccc2c(N2CCN(c3ccncc3)CC2)c1C ZINC000302076432 336347357 /nfs/dbraw/zinc/34/73/57/336347357.db2.gz JJIWHRVJOGXJHU-UHFFFAOYSA-N 1 3 318.424 3.573 20 0 DHADHO Cc1ccc2nccc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000302220309 336354637 /nfs/dbraw/zinc/35/46/37/336354637.db2.gz MADYMJGWAALWIA-JXFKEZNVSA-N 1 3 321.468 3.996 20 0 DHADHO Cc1ccc2nccc(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000302220309 336354638 /nfs/dbraw/zinc/35/46/38/336354638.db2.gz MADYMJGWAALWIA-JXFKEZNVSA-N 1 3 321.468 3.996 20 0 DHADHO Cc1cc(NC[C@@H]2CCCN(Cc3cccs3)C2)cc[nH+]1 ZINC000302567184 336361819 /nfs/dbraw/zinc/36/18/19/336361819.db2.gz NTSPDWABSGMZHH-HNNXBMFYSA-N 1 3 301.459 3.776 20 0 DHADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000320856981 336374428 /nfs/dbraw/zinc/37/44/28/336374428.db2.gz AYCQZSRLJOEVEN-AUUYWEPGSA-N 1 3 309.457 3.619 20 0 DHADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000320856981 336374429 /nfs/dbraw/zinc/37/44/29/336374429.db2.gz AYCQZSRLJOEVEN-AUUYWEPGSA-N 1 3 309.457 3.619 20 0 DHADHO C[C@@H]([NH3+])C1CCN([C@H](C)c2ccccc2Br)CC1 ZINC000110643968 336397050 /nfs/dbraw/zinc/39/70/50/336397050.db2.gz RBTZYYQXDSCEOX-VXGBXAGGSA-N 1 3 311.267 3.569 20 0 DHADHO CC(C)C[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000371486410 336906150 /nfs/dbraw/zinc/90/61/50/336906150.db2.gz WPHNLBORXIYCNO-ICSRJNTNSA-N 1 3 322.537 3.967 20 0 DHADHO C[N@@H+]1CC[C@@H](CNCc2cccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000377763569 337060463 /nfs/dbraw/zinc/06/04/63/337060463.db2.gz RILJHZDSKWUFGC-RXVVDRJESA-N 1 3 319.452 3.951 20 0 DHADHO C[N@H+]1CC[C@@H](CNCc2cccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000377763569 337060464 /nfs/dbraw/zinc/06/04/64/337060464.db2.gz RILJHZDSKWUFGC-RXVVDRJESA-N 1 3 319.452 3.951 20 0 DHADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)CCO1 ZINC000378401368 337071841 /nfs/dbraw/zinc/07/18/41/337071841.db2.gz JYDZXWCHVDWTCT-FUHWJXTLSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H]1C[C@H]1c1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000582472036 337095349 /nfs/dbraw/zinc/09/53/49/337095349.db2.gz XUXITXSXNFJOAP-RDTXWAMCSA-N 1 3 311.429 3.557 20 0 DHADHO CCc1nc(C)c([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)s1 ZINC000177835937 337160626 /nfs/dbraw/zinc/16/06/26/337160626.db2.gz VEBOZJMOJMPAMN-CYBMUJFWSA-N 1 3 309.523 3.785 20 0 DHADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccccc2F)s1 ZINC000469866145 337196077 /nfs/dbraw/zinc/19/60/77/337196077.db2.gz XKYKBGCMMLNZOO-QWHCGFSZSA-N 1 3 304.434 3.723 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cccc(-c3cccnc3)c2)[C@@H]2CCC[C@@H]21 ZINC000583220723 337277677 /nfs/dbraw/zinc/27/76/77/337277677.db2.gz VAVKAZGOHUCAKB-ACRUOGEOSA-N 1 3 321.468 3.711 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cccc(-c3cccnc3)c2)[C@@H]2CCC[C@@H]21 ZINC000583220723 337277678 /nfs/dbraw/zinc/27/76/78/337277678.db2.gz VAVKAZGOHUCAKB-ACRUOGEOSA-N 1 3 321.468 3.711 20 0 DHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1 ZINC000398000926 337303402 /nfs/dbraw/zinc/30/34/02/337303402.db2.gz VZTUWMXLZCSXJH-GHTZIAJQSA-N 1 3 324.468 3.566 20 0 DHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1 ZINC000398000926 337303403 /nfs/dbraw/zinc/30/34/03/337303403.db2.gz VZTUWMXLZCSXJH-GHTZIAJQSA-N 1 3 324.468 3.566 20 0 DHADHO CC[C@H](c1ccc(Cl)cc1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323172 337500064 /nfs/dbraw/zinc/50/00/64/337500064.db2.gz AYJWVECNKZBINU-KURKYZTESA-N 1 3 322.880 3.619 20 0 DHADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccncc1Cl ZINC000421822008 337649304 /nfs/dbraw/zinc/64/93/04/337649304.db2.gz VIMGFXOGQQVSHG-OAHLLOKOSA-N 1 3 309.885 3.898 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)N[C@H](C)C1C[NH2+]C1 ZINC000422754593 337685302 /nfs/dbraw/zinc/68/53/02/337685302.db2.gz FBHTZHMSEBHPON-PBHICJAKSA-N 1 3 300.471 3.538 20 0 DHADHO Clc1cccc(C2(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422769299 337685783 /nfs/dbraw/zinc/68/57/83/337685783.db2.gz ONZMYCHUWNSXIX-KZNAEPCWSA-N 1 3 318.892 3.882 20 0 DHADHO COc1ccc(-c2csc(CN[C@@H]3CCC[C@H]3C[NH3+])c2)cc1 ZINC000422829479 337688244 /nfs/dbraw/zinc/68/82/44/337688244.db2.gz UOZQHADECHXTBL-KBXCAEBGSA-N 1 3 316.470 3.641 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825570 337688281 /nfs/dbraw/zinc/68/82/81/337688281.db2.gz JSMRSDRRUZDGAF-JLZZUVOBSA-N 1 3 324.415 3.643 20 0 DHADHO COc1ccc(-c2csc(CN[C@H]3CCC[C@@H]3C[NH3+])c2)cc1 ZINC000422829481 337688310 /nfs/dbraw/zinc/68/83/10/337688310.db2.gz UOZQHADECHXTBL-KDOFPFPSSA-N 1 3 316.470 3.641 20 0 DHADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422875221 337689559 /nfs/dbraw/zinc/68/95/59/337689559.db2.gz CGRBFLBCECVFQC-CRAIPNDOSA-N 1 3 304.453 3.615 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422885526 337690127 /nfs/dbraw/zinc/69/01/27/337690127.db2.gz GXCUOHLLHGLMMD-AWEZNQCLSA-N 1 3 322.456 3.613 20 0 DHADHO Cc1cccc(-c2cccc(CN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])c2)c1 ZINC000422903943 337693297 /nfs/dbraw/zinc/69/32/97/337693297.db2.gz GCTRBTBTRGMJPP-ORYQWCPZSA-N 1 3 324.468 3.504 20 0 DHADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cc(Br)cs1 ZINC000423278377 337708939 /nfs/dbraw/zinc/70/89/39/337708939.db2.gz PSHPWSUCKNYYHN-HOSYDEDBSA-N 1 3 317.296 3.679 20 0 DHADHO NC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423092022 337698939 /nfs/dbraw/zinc/69/89/39/337698939.db2.gz AEJMDKUXWLGSPA-RRCSTGOVSA-N 1 3 312.379 3.668 20 0 DHADHO Fc1ccccc1[C@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423094741 337699249 /nfs/dbraw/zinc/69/92/49/337699249.db2.gz KQWUFLWEFKWGKT-OUEOUJKYSA-N 1 3 316.464 3.972 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423098534 337699378 /nfs/dbraw/zinc/69/93/78/337699378.db2.gz SCQIUBXCDNWTQZ-PDKWGQGHSA-N 1 3 310.844 3.645 20 0 DHADHO NCCC[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000423184748 337702849 /nfs/dbraw/zinc/70/28/49/337702849.db2.gz IOKDKLJSPSPXPG-GJZGRUSLSA-N 1 3 300.368 3.670 20 0 DHADHO COc1ccc2cc([C@H](C)N[C@@H](C)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000423212374 337704349 /nfs/dbraw/zinc/70/43/49/337704349.db2.gz IJAMLWVLNBUNRT-DOXZYTNZSA-N 1 3 312.457 3.887 20 0 DHADHO Clc1cccc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CCCNC3)C2)c1 ZINC000423212430 337704381 /nfs/dbraw/zinc/70/43/81/337704381.db2.gz LVXONLKTKFJZJL-LESCRADOSA-N 1 3 306.881 3.955 20 0 DHADHO C[C@H]([NH3+])CCN[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423225400 337705873 /nfs/dbraw/zinc/70/58/73/337705873.db2.gz MPIGGTMJXQUCFS-SMDDNHRTSA-N 1 3 319.449 3.654 20 0 DHADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423256041 337707746 /nfs/dbraw/zinc/70/77/46/337707746.db2.gz DGFUTHZCHKHOPH-CABCVRRESA-N 1 3 315.486 3.850 20 0 DHADHO CCOc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cc1OCC ZINC000423277372 337709066 /nfs/dbraw/zinc/70/90/66/337709066.db2.gz PLJRMEKBHZUJMQ-XIRDDKMYSA-N 1 3 320.477 3.652 20 0 DHADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423276936 337709077 /nfs/dbraw/zinc/70/90/77/337709077.db2.gz NPSHJMADUSLRDL-XPKDYRNWSA-N 1 3 314.395 3.744 20 0 DHADHO COc1cc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)ccc1F ZINC000423293852 337710512 /nfs/dbraw/zinc/71/05/12/337710512.db2.gz SFYKVNYJOQTTIJ-QWHCGFSZSA-N 1 3 302.393 3.705 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccnn2-c2ccccc2)cc1 ZINC000423296177 337710863 /nfs/dbraw/zinc/71/08/63/337710863.db2.gz YOIRCXBIESNSMF-HZPDHXFCSA-N 1 3 320.440 3.743 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423371493 337715324 /nfs/dbraw/zinc/71/53/24/337715324.db2.gz GINCZOWRGRANOC-ZOBORPQBSA-N 1 3 303.475 3.648 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423396784 337715381 /nfs/dbraw/zinc/71/53/81/337715381.db2.gz SOJOXEBZEYBDMG-CYBMUJFWSA-N 1 3 316.395 3.679 20 0 DHADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C12CCCCC2 ZINC000423405700 337716032 /nfs/dbraw/zinc/71/60/32/337716032.db2.gz YIFNAVSYEUONAT-RTBURBONSA-N 1 3 314.473 3.507 20 0 DHADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cnc2ccsc2c1 ZINC000423374312 337717184 /nfs/dbraw/zinc/71/71/84/337717184.db2.gz IGZMMIWYYIIHGC-GFCCVEGCSA-N 1 3 309.438 3.750 20 0 DHADHO C[C@H](CCC[NH3+])N[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423464420 337720773 /nfs/dbraw/zinc/72/07/73/337720773.db2.gz WANJNTWKZKZZFL-ZJUUUORDSA-N 1 3 306.784 3.719 20 0 DHADHO Cc1nc2c(s1)[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423494799 337722784 /nfs/dbraw/zinc/72/27/84/337722784.db2.gz BAKWNVFBMOMQSA-RDJZCZTQSA-N 1 3 315.486 3.899 20 0 DHADHO COc1ccc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1F ZINC000423496707 337722930 /nfs/dbraw/zinc/72/29/30/337722930.db2.gz FKMVASILHVIABV-KBXCAEBGSA-N 1 3 316.420 3.965 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424296823 337817025 /nfs/dbraw/zinc/81/70/25/337817025.db2.gz FZNKGDCUYHVIMW-XHHHBCLVSA-N 1 3 322.537 3.680 20 0 DHADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)C3(C)CC3)CC2)cc1 ZINC000120686219 337879364 /nfs/dbraw/zinc/87/93/64/337879364.db2.gz JRZLQCINWPNQMQ-MRXNPFEDSA-N 1 3 316.489 3.685 20 0 DHADHO C[NH+](C)CCC1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000092381328 337903254 /nfs/dbraw/zinc/90/32/54/337903254.db2.gz XEROGORBEOEBBO-UHFFFAOYSA-N 1 3 307.507 3.574 20 0 DHADHO C[C@H]1C[C@H](NCc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000515013572 337977714 /nfs/dbraw/zinc/97/77/14/337977714.db2.gz ITBDMDOGHNJXCW-JXFKEZNVSA-N 1 3 324.468 3.965 20 0 DHADHO CCC[NH+]1CCC(CNCc2ccc(C(F)(F)F)s2)CC1 ZINC000428846691 338062002 /nfs/dbraw/zinc/06/20/02/338062002.db2.gz DDMXLGFCPMRVQT-UHFFFAOYSA-N 1 3 320.424 3.979 20 0 DHADHO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccc(OCCN(C)C)cc1 ZINC000429432273 338080797 /nfs/dbraw/zinc/08/07/97/338080797.db2.gz UKEAUMIYLKYJLW-QAPCUYQASA-N 1 3 302.462 3.610 20 0 DHADHO C[C@@H](CCSc1ccccc1)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429539947 338083389 /nfs/dbraw/zinc/08/33/89/338083389.db2.gz METQVIPCDOTZKX-DLBZAZTESA-N 1 3 306.519 3.973 20 0 DHADHO C[C@@H](CCSc1ccccc1)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429539947 338083390 /nfs/dbraw/zinc/08/33/90/338083390.db2.gz METQVIPCDOTZKX-DLBZAZTESA-N 1 3 306.519 3.973 20 0 DHADHO C[C@@H](CCSc1ccccc1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000429539947 338083391 /nfs/dbraw/zinc/08/33/91/338083391.db2.gz METQVIPCDOTZKX-DLBZAZTESA-N 1 3 306.519 3.973 20 0 DHADHO C[C@H](CCSc1ccccc1)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429539948 338083408 /nfs/dbraw/zinc/08/34/08/338083408.db2.gz METQVIPCDOTZKX-IAGOWNOFSA-N 1 3 306.519 3.973 20 0 DHADHO C[C@H](CCSc1ccccc1)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429539948 338083409 /nfs/dbraw/zinc/08/34/09/338083409.db2.gz METQVIPCDOTZKX-IAGOWNOFSA-N 1 3 306.519 3.973 20 0 DHADHO C[C@H](CCSc1ccccc1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000429539948 338083410 /nfs/dbraw/zinc/08/34/10/338083410.db2.gz METQVIPCDOTZKX-IAGOWNOFSA-N 1 3 306.519 3.973 20 0 DHADHO C[NH+](C)CCCCNCc1cc(Cl)ccc1OCC1CC1 ZINC000430034448 338094023 /nfs/dbraw/zinc/09/40/23/338094023.db2.gz JXXHGLAMMXBXAX-UHFFFAOYSA-N 1 3 310.869 3.560 20 0 DHADHO CCCCCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000430140268 338098670 /nfs/dbraw/zinc/09/86/70/338098670.db2.gz SYKIWPOOYJFLSN-HXUWFJFHSA-N 1 3 316.489 3.783 20 0 DHADHO CCCCCOc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000430140268 338098671 /nfs/dbraw/zinc/09/86/71/338098671.db2.gz SYKIWPOOYJFLSN-HXUWFJFHSA-N 1 3 316.489 3.783 20 0 DHADHO CN1CC[C@@]2(CC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000430143477 338098993 /nfs/dbraw/zinc/09/89/93/338098993.db2.gz AOCRSHWJMZVKNF-HXUWFJFHSA-N 1 3 314.473 3.536 20 0 DHADHO CN1CC[C@@]2(CC[N@@H+](Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000430143477 338098994 /nfs/dbraw/zinc/09/89/94/338098994.db2.gz AOCRSHWJMZVKNF-HXUWFJFHSA-N 1 3 314.473 3.536 20 0 DHADHO C[C@@H]1C[N@H+](CCCNCc2ccc(C(C)(C)C)cc2)CCCO1 ZINC000432354612 338153829 /nfs/dbraw/zinc/15/38/29/338153829.db2.gz YVBIKGWCBODBTF-QGZVFWFLSA-N 1 3 318.505 3.575 20 0 DHADHO C[C@@H]1C[N@@H+](CCCNCc2ccc(C(C)(C)C)cc2)CCCO1 ZINC000432354612 338153830 /nfs/dbraw/zinc/15/38/30/338153830.db2.gz YVBIKGWCBODBTF-QGZVFWFLSA-N 1 3 318.505 3.575 20 0 DHADHO C[C@H]1C[N@H+](CCCNCc2ccc(C(C)(C)C)cc2)CCCO1 ZINC000432354611 338153907 /nfs/dbraw/zinc/15/39/07/338153907.db2.gz YVBIKGWCBODBTF-KRWDZBQOSA-N 1 3 318.505 3.575 20 0 DHADHO C[C@H]1C[N@@H+](CCCNCc2ccc(C(C)(C)C)cc2)CCCO1 ZINC000432354611 338153908 /nfs/dbraw/zinc/15/39/08/338153908.db2.gz YVBIKGWCBODBTF-KRWDZBQOSA-N 1 3 318.505 3.575 20 0 DHADHO COc1ccccc1-c1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000435381868 338238364 /nfs/dbraw/zinc/23/83/64/338238364.db2.gz YJUIYQHVPLTWLE-YSIASYRMSA-N 1 3 322.452 3.531 20 0 DHADHO CC(C)OCCCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691842 338245522 /nfs/dbraw/zinc/24/55/22/338245522.db2.gz FHVNFVLLUWEJIN-QGZVFWFLSA-N 1 3 322.518 3.507 20 0 DHADHO CC1(C)CCC[C@](O)(C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000437106484 338301326 /nfs/dbraw/zinc/30/13/26/338301326.db2.gz MGTZZQWNFSGNIV-HXUWFJFHSA-N 1 3 322.537 3.704 20 0 DHADHO CC1(C)CCC[C@](O)(CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000437106484 338301327 /nfs/dbraw/zinc/30/13/27/338301327.db2.gz MGTZZQWNFSGNIV-HXUWFJFHSA-N 1 3 322.537 3.704 20 0 DHADHO CC1(C)CCC[C@@](O)(C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000437106483 338301349 /nfs/dbraw/zinc/30/13/49/338301349.db2.gz MGTZZQWNFSGNIV-FQEVSTJZSA-N 1 3 322.537 3.704 20 0 DHADHO CC1(C)CCC[C@@](O)(CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000437106483 338301350 /nfs/dbraw/zinc/30/13/50/338301350.db2.gz MGTZZQWNFSGNIV-FQEVSTJZSA-N 1 3 322.537 3.704 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+]CCCCOc1ccccc1 ZINC000438090601 338330844 /nfs/dbraw/zinc/33/08/44/338330844.db2.gz VLXHJMVVGPVZLR-GOSISDBHSA-N 1 3 304.478 3.700 20 0 DHADHO COc1cc(CN2CCC(C[NH+](C)C)CC2)cc2ccccc21 ZINC000449012177 338582919 /nfs/dbraw/zinc/58/29/19/338582919.db2.gz ZFJAVRGRTRFMFM-UHFFFAOYSA-N 1 3 312.457 3.622 20 0 DHADHO CC(C)COc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000166376550 339053159 /nfs/dbraw/zinc/05/31/59/339053159.db2.gz RQVDRSNAGFEFQN-BQFCYCMXSA-N 1 3 304.478 3.855 20 0 DHADHO CC(C)COc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000166376550 339053160 /nfs/dbraw/zinc/05/31/60/339053160.db2.gz RQVDRSNAGFEFQN-BQFCYCMXSA-N 1 3 304.478 3.855 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000462481483 339079702 /nfs/dbraw/zinc/07/97/02/339079702.db2.gz AMIPTVFEMMAGBM-SJLPKXTDSA-N 1 3 309.457 3.772 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000462481483 339079703 /nfs/dbraw/zinc/07/97/03/339079703.db2.gz AMIPTVFEMMAGBM-SJLPKXTDSA-N 1 3 309.457 3.772 20 0 DHADHO CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCCN(C)C)c2)C1 ZINC000462690143 339084320 /nfs/dbraw/zinc/08/43/20/339084320.db2.gz WUWVKKWDRNABRZ-AEFFLSMTSA-N 1 3 304.478 3.685 20 0 DHADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCC2CCOCC2)C1 ZINC000463281233 339113185 /nfs/dbraw/zinc/11/31/85/339113185.db2.gz PFXIQGSOXJWQIV-AZUAARDMSA-N 1 3 322.537 3.780 20 0 DHADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCC2CCOCC2)C1 ZINC000463281233 339113186 /nfs/dbraw/zinc/11/31/86/339113186.db2.gz PFXIQGSOXJWQIV-AZUAARDMSA-N 1 3 322.537 3.780 20 0 DHADHO CCN(CC)C[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000464771955 339152275 /nfs/dbraw/zinc/15/22/75/339152275.db2.gz DJEYAKABCXVUKW-KRWDZBQOSA-N 1 3 308.897 3.936 20 0 DHADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000464771955 339152276 /nfs/dbraw/zinc/15/22/76/339152276.db2.gz DJEYAKABCXVUKW-KRWDZBQOSA-N 1 3 308.897 3.936 20 0 DHADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC1(CN(C)C)CCCC1 ZINC000467354055 339233570 /nfs/dbraw/zinc/23/35/70/339233570.db2.gz FOBKCRGHIZXLKM-KRWDZBQOSA-N 1 3 320.452 3.533 20 0 DHADHO COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000467389588 339236287 /nfs/dbraw/zinc/23/62/87/339236287.db2.gz LDISHDHCCXRHSN-RDTXWAMCSA-N 1 3 320.452 3.533 20 0 DHADHO CC[N@H+](CCC1CCN([C@@H](C)c2cnccn2)CC1)CC(C)C ZINC000467454230 339239547 /nfs/dbraw/zinc/23/95/47/339239547.db2.gz CXZCEHMDQYGMDR-KRWDZBQOSA-N 1 3 318.509 3.618 20 0 DHADHO CC[N@@H+](CCC1CCN([C@@H](C)c2cnccn2)CC1)CC(C)C ZINC000467454230 339239548 /nfs/dbraw/zinc/23/95/48/339239548.db2.gz CXZCEHMDQYGMDR-KRWDZBQOSA-N 1 3 318.509 3.618 20 0 DHADHO C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000468032925 339251796 /nfs/dbraw/zinc/25/17/96/339251796.db2.gz DNQSCASTUTZFOF-STQMWFEESA-N 1 3 318.383 3.619 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OCC2CC2)[C@H](C)C1 ZINC000468921438 339274736 /nfs/dbraw/zinc/27/47/36/339274736.db2.gz HVSGFEHTRVZFQR-APWZRJJASA-N 1 3 316.489 3.604 20 0 DHADHO C[NH2+]CCC1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000469857108 339302873 /nfs/dbraw/zinc/30/28/73/339302873.db2.gz XVPVUHFSPRBDBH-UHFFFAOYSA-N 1 3 316.489 3.830 20 0 DHADHO C(CC1CCOCC1)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000469901372 339304139 /nfs/dbraw/zinc/30/41/39/339304139.db2.gz YJPJNJAJLUQGAD-FQEVSTJZSA-N 1 3 322.537 3.781 20 0 DHADHO CC(C)c1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000469982146 339306818 /nfs/dbraw/zinc/30/68/18/339306818.db2.gz MUGYVWPJJVQQHC-VQTJNVASSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000469982146 339306819 /nfs/dbraw/zinc/30/68/19/339306819.db2.gz MUGYVWPJJVQQHC-VQTJNVASSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000469982146 339306820 /nfs/dbraw/zinc/30/68/20/339306820.db2.gz MUGYVWPJJVQQHC-VQTJNVASSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000469982146 339306821 /nfs/dbraw/zinc/30/68/21/339306821.db2.gz MUGYVWPJJVQQHC-VQTJNVASSA-N 1 3 300.490 3.769 20 0 DHADHO Cc1ccc2[nH]c(C[NH2+]C3CCN(CC(C)C)CC3)cc2c1C ZINC000472046590 339360540 /nfs/dbraw/zinc/36/05/40/339360540.db2.gz ARDNOIOSKDLGDX-UHFFFAOYSA-N 1 3 313.489 3.995 20 0 DHADHO CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)c2ccccc2Cl)C1 ZINC000472265729 339368136 /nfs/dbraw/zinc/36/81/36/339368136.db2.gz YTHMALQCEQQUOH-HOTGVXAUSA-N 1 3 324.896 3.834 20 0 DHADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H](CSc2ccccc2)C1 ZINC000472575625 339374301 /nfs/dbraw/zinc/37/43/01/339374301.db2.gz UZCPZJXLEGNBDM-ZWKOTPCHSA-N 1 3 318.530 3.975 20 0 DHADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H](CSc2ccccc2)C1 ZINC000472575625 339374302 /nfs/dbraw/zinc/37/43/02/339374302.db2.gz UZCPZJXLEGNBDM-ZWKOTPCHSA-N 1 3 318.530 3.975 20 0 DHADHO C1CCC(N2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)C1 ZINC000474056524 339399669 /nfs/dbraw/zinc/39/96/69/339399669.db2.gz NPHVAVVRBONIEV-NSISKUIASA-N 1 3 320.521 3.578 20 0 DHADHO CC[C@H](COC)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000482956033 339648238 /nfs/dbraw/zinc/64/82/38/339648238.db2.gz ZLDNKEWWPDZNFT-LJQANCHMSA-N 1 3 304.478 3.577 20 0 DHADHO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000483520169 339667893 /nfs/dbraw/zinc/66/78/93/339667893.db2.gz SSZVNOICIMSYQO-RTBURBONSA-N 1 3 323.569 3.741 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000501379153 340079485 /nfs/dbraw/zinc/07/94/85/340079485.db2.gz UYDKORMGRUGEJV-SFHVURJKSA-N 1 3 318.505 3.966 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000501386200 340079855 /nfs/dbraw/zinc/07/98/55/340079855.db2.gz KIUSLHPRMDPVAI-GOSISDBHSA-N 1 3 318.505 3.822 20 0 DHADHO CCc1cccnc1[C@H](C)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000507470480 340221396 /nfs/dbraw/zinc/22/13/96/340221396.db2.gz MVOSFELVPIXZDZ-IRXDYDNUSA-N 1 3 303.494 3.807 20 0 DHADHO CCc1cccnc1[C@H](C)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000507470480 340221397 /nfs/dbraw/zinc/22/13/97/340221397.db2.gz MVOSFELVPIXZDZ-IRXDYDNUSA-N 1 3 303.494 3.807 20 0 DHADHO CCc1cccnc1[C@@H](C)NCCCCC[NH+]1CCCCC1 ZINC000507514500 340223622 /nfs/dbraw/zinc/22/36/22/340223622.db2.gz SQZVHMLKOFHPFD-QGZVFWFLSA-N 1 3 303.494 3.951 20 0 DHADHO CCC[C@@H](NC(C)C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000507842690 340233905 /nfs/dbraw/zinc/23/39/05/340233905.db2.gz YLJLNKIJJHFVPD-GOSISDBHSA-N 1 3 319.493 3.634 20 0 DHADHO CC[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)CC(F)(F)F ZINC000402621401 340248778 /nfs/dbraw/zinc/24/87/78/340248778.db2.gz VPSNAGXRVHJPJF-ZDUSSCGKSA-N 1 3 315.383 3.619 20 0 DHADHO CCCCN1CCC([NH2+]Cc2ccc(OC)c(Cl)c2)CC1 ZINC000086585436 340253870 /nfs/dbraw/zinc/25/38/70/340253870.db2.gz VGCSLZCLIJHYJQ-UHFFFAOYSA-N 1 3 310.869 3.703 20 0 DHADHO CC[C@@H](C)C[N@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000509401933 340268368 /nfs/dbraw/zinc/26/83/68/340268368.db2.gz VAYZLNPZVQFYCX-QGZVFWFLSA-N 1 3 317.521 3.695 20 0 DHADHO CC[C@@H](C)C[N@@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000509401933 340268369 /nfs/dbraw/zinc/26/83/69/340268369.db2.gz VAYZLNPZVQFYCX-QGZVFWFLSA-N 1 3 317.521 3.695 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000510735345 340308807 /nfs/dbraw/zinc/30/88/07/340308807.db2.gz NTROWCVGFXHOCQ-ILXRZTDVSA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000510735345 340308808 /nfs/dbraw/zinc/30/88/08/340308808.db2.gz NTROWCVGFXHOCQ-ILXRZTDVSA-N 1 3 308.416 3.502 20 0 DHADHO COCc1ccccc1/C=C(\C)CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000511456050 340327603 /nfs/dbraw/zinc/32/76/03/340327603.db2.gz VRSFDKDGPARURA-PZBSJLNOSA-N 1 3 316.489 3.699 20 0 DHADHO COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000511456050 340327604 /nfs/dbraw/zinc/32/76/04/340327604.db2.gz VRSFDKDGPARURA-PZBSJLNOSA-N 1 3 316.489 3.699 20 0 DHADHO COCc1ccccc1/C=C(/C)CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000511456049 340327633 /nfs/dbraw/zinc/32/76/33/340327633.db2.gz VRSFDKDGPARURA-OHMJOTAUSA-N 1 3 316.489 3.699 20 0 DHADHO COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000511456049 340327634 /nfs/dbraw/zinc/32/76/34/340327634.db2.gz VRSFDKDGPARURA-OHMJOTAUSA-N 1 3 316.489 3.699 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000512082355 340347887 /nfs/dbraw/zinc/34/78/87/340347887.db2.gz IRJUCSKETZSWQF-IMMZDGJCSA-N 1 3 308.416 3.688 20 0 DHADHO COC[C@H](C)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000173983010 340379472 /nfs/dbraw/zinc/37/94/72/340379472.db2.gz NCHDZBZKZCZZRJ-INIZCTEOSA-N 1 3 304.478 3.576 20 0 DHADHO COC[C@H](C)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000173983010 340379473 /nfs/dbraw/zinc/37/94/73/340379473.db2.gz NCHDZBZKZCZZRJ-INIZCTEOSA-N 1 3 304.478 3.576 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCC(F)(F)F)CC2)C1 ZINC000513030737 340389646 /nfs/dbraw/zinc/38/96/46/340389646.db2.gz VCXBZHKZYXNXGX-HIFRSBDPSA-N 1 3 306.416 3.962 20 0 DHADHO Cc1cccc(C)c1OCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513161684 340395516 /nfs/dbraw/zinc/39/55/16/340395516.db2.gz UOOSNWYQXHTCEK-DFNIBXOVSA-N 1 3 316.489 3.629 20 0 DHADHO Cc1cccc(C)c1OCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513161684 340395517 /nfs/dbraw/zinc/39/55/17/340395517.db2.gz UOOSNWYQXHTCEK-DFNIBXOVSA-N 1 3 316.489 3.629 20 0 DHADHO CCCC(O)(CCC)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000513224866 340398044 /nfs/dbraw/zinc/39/80/44/340398044.db2.gz WOLBGBJITFLHNR-IEBWSBKVSA-N 1 3 324.553 3.950 20 0 DHADHO CCCC(O)(CCC)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000513224866 340398045 /nfs/dbraw/zinc/39/80/45/340398045.db2.gz WOLBGBJITFLHNR-IEBWSBKVSA-N 1 3 324.553 3.950 20 0 DHADHO CC[NH+]1CCC(CN[C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000521144996 340480985 /nfs/dbraw/zinc/48/09/85/340480985.db2.gz JJNRSLKUQJJLQR-ZDUSSCGKSA-N 1 3 310.869 3.731 20 0 DHADHO CC(C)[NH2+]C1CCN([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000191301033 340552526 /nfs/dbraw/zinc/55/25/26/340552526.db2.gz CPPFHNZUSKVSCV-PMACEKPBSA-N 1 3 300.490 3.959 20 0 DHADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000540172270 340920415 /nfs/dbraw/zinc/92/04/15/340920415.db2.gz XPQUFGLSJMXIJM-FHWLQOOXSA-N 1 3 318.505 3.843 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1cccc(OCCN(C)C)c1 ZINC000542501427 341010836 /nfs/dbraw/zinc/01/08/36/341010836.db2.gz YSGWPXXNQISBAC-QAPCUYQASA-N 1 3 322.518 3.563 20 0 DHADHO CN1CC=C(C[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000542697432 341017689 /nfs/dbraw/zinc/01/76/89/341017689.db2.gz PCEWGLQGXISIES-WMZOPIPTSA-N 1 3 304.865 3.828 20 0 DHADHO CC[NH+](CC)CCOCCNC1c2ccccc2-c2ccccc21 ZINC000543598589 341050230 /nfs/dbraw/zinc/05/02/30/341050230.db2.gz IBFJCLULWUBGCK-UHFFFAOYSA-N 1 3 324.468 3.704 20 0 DHADHO C[C@H](CC1CCCCC1)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000544610996 341088869 /nfs/dbraw/zinc/08/88/69/341088869.db2.gz IMVNVEMVWGLPQN-RSPOEFSDSA-N 1 3 322.537 3.776 20 0 DHADHO CCc1ccc(C[NH2+]CC2CCN(Cc3cccs3)CC2)o1 ZINC000131706586 341109405 /nfs/dbraw/zinc/10/94/05/341109405.db2.gz BLHQXSWDXKIBQP-UHFFFAOYSA-N 1 3 318.486 3.905 20 0 DHADHO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cc1OCC ZINC000132174857 341117755 /nfs/dbraw/zinc/11/77/55/341117755.db2.gz YDVCUEBVOAKZOX-OAHLLOKOSA-N 1 3 322.493 3.722 20 0 DHADHO COc1cccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000076109655 341201144 /nfs/dbraw/zinc/20/11/44/341201144.db2.gz ANMXTBUXBMRDDV-HXUWFJFHSA-N 1 3 324.468 3.649 20 0 DHADHO COc1cccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000076109655 341201145 /nfs/dbraw/zinc/20/11/45/341201145.db2.gz ANMXTBUXBMRDDV-HXUWFJFHSA-N 1 3 324.468 3.649 20 0 DHADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000237054620 341206379 /nfs/dbraw/zinc/20/63/79/341206379.db2.gz MXVGOCQDTZVTLY-HZPDHXFCSA-N 1 3 314.395 3.959 20 0 DHADHO COc1cccc([C@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134882996 341225906 /nfs/dbraw/zinc/22/59/06/341225906.db2.gz VWDRDXJMPXBSRQ-XAUMDUMWSA-N 1 3 314.473 3.705 20 0 DHADHO COc1cccc([C@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134882996 341225907 /nfs/dbraw/zinc/22/59/07/341225907.db2.gz VWDRDXJMPXBSRQ-XAUMDUMWSA-N 1 3 314.473 3.705 20 0 DHADHO Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000135264486 341234826 /nfs/dbraw/zinc/23/48/26/341234826.db2.gz NDPPRECNYMVEOL-SEJPIABJSA-N 1 3 321.468 3.675 20 0 DHADHO CCOc1ccc(CNCCCCC[NH+]2CCCC2)cc1F ZINC000549867740 341305690 /nfs/dbraw/zinc/30/56/90/341305690.db2.gz DFUQSSPZIDDDFY-UHFFFAOYSA-N 1 3 308.441 3.580 20 0 DHADHO CCCCN(C)C[C@@H](C)[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000550823713 341323661 /nfs/dbraw/zinc/32/36/61/341323661.db2.gz VUWYZSRXAITMOF-HOJAQTOUSA-N 1 3 317.521 3.532 20 0 DHADHO COc1ccc(C)cc1[C@@H](C)NCCCCC[NH+]1CCCC1 ZINC000550882144 341325386 /nfs/dbraw/zinc/32/53/86/341325386.db2.gz ILTVMKYEMHEPEZ-QGZVFWFLSA-N 1 3 304.478 3.920 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](c2ccccc2OC)C2CCCC2)C1 ZINC000246152239 341329854 /nfs/dbraw/zinc/32/98/54/341329854.db2.gz TUDPTCQHFUINLN-JXFKEZNVSA-N 1 3 316.489 3.858 20 0 DHADHO COc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(C)c1 ZINC000551084234 341331111 /nfs/dbraw/zinc/33/11/11/341331111.db2.gz TXYPAICHTHGXRE-PZJWPPBQSA-N 1 3 324.468 3.929 20 0 DHADHO COc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(C)c1 ZINC000551084234 341331112 /nfs/dbraw/zinc/33/11/12/341331112.db2.gz TXYPAICHTHGXRE-PZJWPPBQSA-N 1 3 324.468 3.929 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)C1 ZINC000246186655 341332201 /nfs/dbraw/zinc/33/22/01/341332201.db2.gz CRCUIWAESJTBRZ-PBHICJAKSA-N 1 3 322.880 3.794 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000247057913 341360467 /nfs/dbraw/zinc/36/04/67/341360467.db2.gz NRNZXJKSCYIPQD-CVEARBPZSA-N 1 3 312.457 3.841 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000247057913 341360468 /nfs/dbraw/zinc/36/04/68/341360468.db2.gz NRNZXJKSCYIPQD-CVEARBPZSA-N 1 3 312.457 3.841 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000247057913 341360469 /nfs/dbraw/zinc/36/04/69/341360469.db2.gz NRNZXJKSCYIPQD-CVEARBPZSA-N 1 3 312.457 3.841 20 0 DHADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000248405913 341376843 /nfs/dbraw/zinc/37/68/43/341376843.db2.gz BIYTWZJCKHZIET-VRXWPRPYSA-N 1 3 321.468 3.643 20 0 DHADHO CC(C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000248684342 341384186 /nfs/dbraw/zinc/38/41/86/341384186.db2.gz FWOVWDGNDNIDMD-UFYCRDLUSA-N 1 3 300.490 3.718 20 0 DHADHO CC(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000248684342 341384187 /nfs/dbraw/zinc/38/41/87/341384187.db2.gz FWOVWDGNDNIDMD-UFYCRDLUSA-N 1 3 300.490 3.718 20 0 DHADHO CC(C)[C@H](C[NH2+][C@H]1CCN2CCC[C@H]2C1)Cc1ccccc1 ZINC000248684342 341384188 /nfs/dbraw/zinc/38/41/88/341384188.db2.gz FWOVWDGNDNIDMD-UFYCRDLUSA-N 1 3 300.490 3.718 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)cs2)C1 ZINC000248723781 341385180 /nfs/dbraw/zinc/38/51/80/341385180.db2.gz GYKLXTKKLSPNPL-MNOVXSKESA-N 1 3 317.296 3.503 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000249384498 341396934 /nfs/dbraw/zinc/39/69/34/341396934.db2.gz XWGIBMOGXBUECZ-NEPJUHHUSA-N 1 3 301.261 3.986 20 0 DHADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(O)c1 ZINC000249558162 341399257 /nfs/dbraw/zinc/39/92/57/341399257.db2.gz MHWYJWNFZHXCGE-BRWVUGGUSA-N 1 3 304.478 3.801 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1cccc(OCCN(C)C)c1 ZINC000566222443 341551171 /nfs/dbraw/zinc/55/11/71/341551171.db2.gz YCKSREIXEXJHDR-BHYGNILZSA-N 1 3 308.441 3.558 20 0 DHADHO CC[NH+]1CCC(CN[C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000567662304 341625463 /nfs/dbraw/zinc/62/54/63/341625463.db2.gz BZQFEAMBOXHJHX-ZDUSSCGKSA-N 1 3 310.869 3.731 20 0 DHADHO CN(c1ccccc1C[NH+]1CCCCCC1)C1CCN(C)CC1 ZINC000157378943 341637102 /nfs/dbraw/zinc/63/71/02/341637102.db2.gz FONUZBGEOHHQEV-UHFFFAOYSA-N 1 3 315.505 3.593 20 0 DHADHO C[C@H](c1ccc(OC(F)F)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000577513442 341914757 /nfs/dbraw/zinc/91/47/57/341914757.db2.gz NWHCGTTYZHJNLF-CZUORRHYSA-N 1 3 324.415 3.671 20 0 DHADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)CS1 ZINC000368462796 518981290 /nfs/dbraw/zinc/98/12/90/518981290.db2.gz QKNCOESFFAJHST-NVXWUHKLSA-N 1 3 310.551 3.903 20 0 DHADHO CC(C)(C)[C@H]1C[C@@H](NC2CC[NH+](C3CCCC3)CC2)CS1 ZINC000368462796 518981296 /nfs/dbraw/zinc/98/12/96/518981296.db2.gz QKNCOESFFAJHST-NVXWUHKLSA-N 1 3 310.551 3.903 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000365074368 519722454 /nfs/dbraw/zinc/72/24/54/519722454.db2.gz VYKBLOGTQSKZTO-IYWMVGAKSA-N 1 3 322.537 3.539 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000337329229 519773317 /nfs/dbraw/zinc/77/33/17/519773317.db2.gz FRKFVPIJTIAABZ-KRWDZBQOSA-N 1 3 304.478 3.576 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000337340168 519773359 /nfs/dbraw/zinc/77/33/59/519773359.db2.gz PDSCZWPOIPJOMF-KRWDZBQOSA-N 1 3 304.478 3.576 20 0 DHADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000337340901 521906839 /nfs/dbraw/zinc/90/68/39/521906839.db2.gz PUBGZRVOEBSRCO-FPOVZHCZSA-N 1 3 323.484 3.959 20 0 DHADHO C[C@H]1C[C@@H](N[C@@H]2CCc3cc(Br)ccc32)CC[N@@H+]1C ZINC000156156731 524813536 /nfs/dbraw/zinc/81/35/36/524813536.db2.gz UBGDZCJEMMWINT-HZUKXOBISA-N 1 3 323.278 3.509 20 0 DHADHO C[C@H]1C[C@@H](N[C@@H]2CCc3cc(Br)ccc32)CC[N@H+]1C ZINC000156156731 524813549 /nfs/dbraw/zinc/81/35/49/524813549.db2.gz UBGDZCJEMMWINT-HZUKXOBISA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000124186171 524908530 /nfs/dbraw/zinc/90/85/30/524908530.db2.gz IYQMUDGABDPQKQ-YQFWSFKMSA-N 1 3 302.462 3.607 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cccc(-c2cccnc2)c1 ZINC000364172118 524915967 /nfs/dbraw/zinc/91/59/67/524915967.db2.gz XDSKXXWEKPTINC-QINHECLXSA-N 1 3 309.457 3.567 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cccc(-c2cccnc2)c1 ZINC000364172118 524915973 /nfs/dbraw/zinc/91/59/73/524915973.db2.gz XDSKXXWEKPTINC-QINHECLXSA-N 1 3 309.457 3.567 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccnc2)CC1 ZINC000158897501 526246659 /nfs/dbraw/zinc/24/66/59/526246659.db2.gz PZFXJIHGKXHVHT-KRWDZBQOSA-N 1 3 301.478 3.558 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cccnc2)CC1 ZINC000158897501 526246662 /nfs/dbraw/zinc/24/66/62/526246662.db2.gz PZFXJIHGKXHVHT-KRWDZBQOSA-N 1 3 301.478 3.558 20 0 DHADHO COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000289211433 537022253 /nfs/dbraw/zinc/02/22/53/537022253.db2.gz KMNOYQAYBGYHMK-RHSMWYFYSA-N 1 3 320.452 3.532 20 0 DHADHO Cc1ccc2[nH]cc(CN3CCC4(CC3)CC[NH+](C)CC4)c2c1 ZINC001209498257 1013324737 /nfs/dbraw/zinc/32/47/37/1013324737.db2.gz DDJVYKYXLUPOBQ-UHFFFAOYSA-N 1 3 311.473 3.784 20 0 DHADHO Fc1ccc([C@H]2C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167969474 1013375717 /nfs/dbraw/zinc/37/57/17/1013375717.db2.gz CMAQOQJCVZHFTN-DGDSNLKDSA-N 1 3 314.448 3.677 20 0 DHADHO Fc1ccc([C@H]2C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167969474 1013375730 /nfs/dbraw/zinc/37/57/30/1013375730.db2.gz CMAQOQJCVZHFTN-DGDSNLKDSA-N 1 3 314.448 3.677 20 0 DHADHO [NH3+]Cc1ccc(CN[C@@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000579110375 1013638996 /nfs/dbraw/zinc/63/89/96/1013638996.db2.gz LUMGQHKUGHQKCK-QGZVFWFLSA-N 1 3 316.832 3.802 20 0 DHADHO CC[C@@H](OCCN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623558806 1017110979 /nfs/dbraw/zinc/11/09/79/1017110979.db2.gz JOPDUASCNYTHBK-QZTJIDSGSA-N 1 3 304.478 3.617 20 0 DHADHO CC[C@@H](OCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623558806 1017110985 /nfs/dbraw/zinc/11/09/85/1017110985.db2.gz JOPDUASCNYTHBK-QZTJIDSGSA-N 1 3 304.478 3.617 20 0 DHADHO Cc1ccc(-c2nc(CNC[C@H]3C[C@@H]([NH+](C)C)C3)cs2)cc1 ZINC000655827279 1013747238 /nfs/dbraw/zinc/74/72/38/1013747238.db2.gz PXMDBCWNFKQAID-KDYLLFBJSA-N 1 3 315.486 3.548 20 0 DHADHO CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[C@@H]1CCCCO1 ZINC000655849057 1013778362 /nfs/dbraw/zinc/77/83/62/1013778362.db2.gz MEEPDWODHKIFHE-FFGOWVMKSA-N 1 3 322.537 3.967 20 0 DHADHO COc1ccccc1/C=C\CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000571660967 1013798480 /nfs/dbraw/zinc/79/84/80/1013798480.db2.gz GBTMPGDABKCXOW-CLFYSBASSA-N 1 3 316.489 3.761 20 0 DHADHO COc1ccccc1/C=C\CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000571660967 1013798484 /nfs/dbraw/zinc/79/84/84/1013798484.db2.gz GBTMPGDABKCXOW-CLFYSBASSA-N 1 3 316.489 3.761 20 0 DHADHO Cc1ccc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000683689969 1013857838 /nfs/dbraw/zinc/85/78/38/1013857838.db2.gz VPQADTGCHYKYJK-OWZKRDHZSA-N 1 3 324.468 3.916 20 0 DHADHO Cc1ccc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000683689969 1013857844 /nfs/dbraw/zinc/85/78/44/1013857844.db2.gz VPQADTGCHYKYJK-OWZKRDHZSA-N 1 3 324.468 3.916 20 0 DHADHO C[C@@H]1CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)CCN1 ZINC001210474987 1013878220 /nfs/dbraw/zinc/87/82/20/1013878220.db2.gz JWRODCJGUCZQBG-GFCCVEGCSA-N 1 3 301.261 3.610 20 0 DHADHO C[C@@H]1CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)CCN1 ZINC001210474987 1013878227 /nfs/dbraw/zinc/87/82/27/1013878227.db2.gz JWRODCJGUCZQBG-GFCCVEGCSA-N 1 3 301.261 3.610 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCc2ccccc2COCc2ccccc2)C1 ZINC000656193176 1014101582 /nfs/dbraw/zinc/10/15/82/1014101582.db2.gz WULPGBZGMDTTEP-SFTDATJTSA-N 1 3 324.468 3.763 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1(Cc2ccccc2)CCC1 ZINC000564825912 1014146738 /nfs/dbraw/zinc/14/67/38/1014146738.db2.gz QNHGRNSMRHLUDR-INIZCTEOSA-N 1 3 309.457 3.665 20 0 DHADHO CC(C)[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000564827836 1014165672 /nfs/dbraw/zinc/16/56/72/1014165672.db2.gz RUYQWFAMTIPWEG-QXAKKESOSA-N 1 3 304.453 3.543 20 0 DHADHO C[C@H]1CC([NH2+]Cc2cncs2)C[C@H](C)N1Cc1ccccc1 ZINC001168005517 1014401897 /nfs/dbraw/zinc/40/18/97/1014401897.db2.gz JGCZFWIKQUSWOG-GJZGRUSLSA-N 1 3 315.486 3.674 20 0 DHADHO Cc1cc(F)ccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000665235741 1014508149 /nfs/dbraw/zinc/50/81/49/1014508149.db2.gz ZEJFJATUAIXEGC-KGLIPLIRSA-N 1 3 315.436 3.578 20 0 DHADHO C[C@H](N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc2n[nH]cc2c1 ZINC000581125282 1014573119 /nfs/dbraw/zinc/57/31/19/1014573119.db2.gz HGGJDNWAQKAGOI-DCPHZVHLSA-N 1 3 320.440 3.707 20 0 DHADHO C[C@H](CCC(F)(F)F)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257502 1014586628 /nfs/dbraw/zinc/58/66/28/1014586628.db2.gz LLSNRRHCIBVYRG-KCPJHIHWSA-N 1 3 318.358 3.592 20 0 DHADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(C[NH3+])cc1)CCCO2 ZINC000521045600 1014635254 /nfs/dbraw/zinc/63/52/54/1014635254.db2.gz XZHJMANIHLMETG-IBGZPJMESA-N 1 3 310.441 3.766 20 0 DHADHO CN(Cc1cc2ccccc2o1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000521054399 1014636023 /nfs/dbraw/zinc/63/60/23/1014636023.db2.gz AEJGTWMLARAIGK-UHFFFAOYSA-N 1 3 306.409 3.711 20 0 DHADHO N[C@H]1C[C@H]([NH2+]CCc2nsc3ccccc32)c2ccccc21 ZINC000665276164 1014639810 /nfs/dbraw/zinc/63/98/10/1014639810.db2.gz ZLDYOFFPEDRVQQ-RDJZCZTQSA-N 1 3 309.438 3.573 20 0 DHADHO Cc1cc(OCCC[C@@H](C)[NH2+]CC23CC(C2)CN3)ccc1Cl ZINC000665279379 1014662177 /nfs/dbraw/zinc/66/21/77/1014662177.db2.gz BHLMLGJIXMAKNQ-KSTDHSDQSA-N 1 3 322.880 3.538 20 0 DHADHO FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000665279321 1014662986 /nfs/dbraw/zinc/66/29/86/1014662986.db2.gz AEOKQMMINCXRDA-PWDHUQTKSA-N 1 3 324.390 3.683 20 0 DHADHO Clc1ccc([C@@H]2CCC[C@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000665280009 1014669222 /nfs/dbraw/zinc/66/92/22/1014669222.db2.gz RAKWBXJNIHRCTA-MOFQQNDTSA-N 1 3 304.865 3.708 20 0 DHADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442712983 1014719903 /nfs/dbraw/zinc/71/99/03/1014719903.db2.gz HJWLXIQVNPKSJG-PJPHBNEVSA-N 1 3 302.453 3.768 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CN[C@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474079925 1014962564 /nfs/dbraw/zinc/96/25/64/1014962564.db2.gz JMDWGCRMMHOOQS-KXBFYZLASA-N 1 3 316.489 3.739 20 0 DHADHO CCC[N@H+]1CC[C@@H](CN[C@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474079925 1014962573 /nfs/dbraw/zinc/96/25/73/1014962573.db2.gz JMDWGCRMMHOOQS-KXBFYZLASA-N 1 3 316.489 3.739 20 0 DHADHO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1OC ZINC000341435415 1015372471 /nfs/dbraw/zinc/37/24/71/1015372471.db2.gz RGFJHPZQFJQGPG-WBVHZDCISA-N 1 3 320.477 3.619 20 0 DHADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000623657806 1017155231 /nfs/dbraw/zinc/15/52/31/1017155231.db2.gz ZMEAFSYIROQURT-GDBMZVCRSA-N 1 3 306.881 3.519 20 0 DHADHO C[C@H]1CC([N@H+](C)Cc2ccncc2)C[C@H](C)N1Cc1ccccc1 ZINC001168039317 1015494735 /nfs/dbraw/zinc/49/47/35/1015494735.db2.gz CXEWEUAXHCNOQR-ROUUACIJSA-N 1 3 323.484 3.955 20 0 DHADHO C[C@H]1CC([N@@H+](C)Cc2ccncc2)C[C@H](C)N1Cc1ccccc1 ZINC001168039317 1015494740 /nfs/dbraw/zinc/49/47/40/1015494740.db2.gz CXEWEUAXHCNOQR-ROUUACIJSA-N 1 3 323.484 3.955 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@@H](c2cncc(F)c2)C2CC2)c1 ZINC000281101563 1015830351 /nfs/dbraw/zinc/83/03/51/1015830351.db2.gz BJTQBFQOAVVVJD-LJQANCHMSA-N 1 3 313.420 3.523 20 0 DHADHO CO[C@@H](CC(C)C)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167505782 1016175956 /nfs/dbraw/zinc/17/59/56/1016175956.db2.gz VQIKOSUIMYKRDN-UXHICEINSA-N 1 3 318.505 3.501 20 0 DHADHO CO[C@@H](CC(C)C)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167505782 1016175957 /nfs/dbraw/zinc/17/59/57/1016175957.db2.gz VQIKOSUIMYKRDN-UXHICEINSA-N 1 3 318.505 3.501 20 0 DHADHO CCOc1ccc(C[NH2+]C2CCN(CC(C)C)CC2)c(C)c1 ZINC000657305096 1016259567 /nfs/dbraw/zinc/25/95/67/1016259567.db2.gz VLUAEQCIHYJPRR-UHFFFAOYSA-N 1 3 304.478 3.604 20 0 DHADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(F)c(F)c2F)C1 ZINC000657311830 1016294639 /nfs/dbraw/zinc/29/46/39/1016294639.db2.gz WMNCIGDSRBDDBF-CYBMUJFWSA-N 1 3 314.395 3.706 20 0 DHADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(F)c(F)c2F)C1 ZINC000657311830 1016294645 /nfs/dbraw/zinc/29/46/45/1016294645.db2.gz WMNCIGDSRBDDBF-CYBMUJFWSA-N 1 3 314.395 3.706 20 0 DHADHO C[NH+]1CCC(CN2CCCC[C@H]2c2nc3ccccc3o2)CC1 ZINC000892162311 1016324367 /nfs/dbraw/zinc/32/43/67/1016324367.db2.gz XJXCDFAQIHLQDN-KRWDZBQOSA-N 1 3 313.445 3.697 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657348194 1016396256 /nfs/dbraw/zinc/39/62/56/1016396256.db2.gz NGZDWLZUSMEVNO-CQSZACIVSA-N 1 3 303.475 3.506 20 0 DHADHO C[NH+](C)CC[C@@H](NCc1cc2ccncc2s1)C(C)(C)C ZINC000657362877 1016461257 /nfs/dbraw/zinc/46/12/57/1016461257.db2.gz BLMQWGUHDWGMBT-MRXNPFEDSA-N 1 3 305.491 3.752 20 0 DHADHO CC[NH2+]CC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000347030634 1016700509 /nfs/dbraw/zinc/70/05/09/1016700509.db2.gz XMANGIKGMYWLSW-UHFFFAOYSA-N 1 3 315.486 3.632 20 0 DHADHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(OC)cc1 ZINC000336851240 1016721648 /nfs/dbraw/zinc/72/16/48/1016721648.db2.gz LPDLEYFFDXQKSS-QFBILLFUSA-N 1 3 304.478 3.858 20 0 DHADHO CC(C)COc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000623374842 1017006612 /nfs/dbraw/zinc/00/66/12/1017006612.db2.gz RHEGEMISXAUEIN-KRWDZBQOSA-N 1 3 304.478 3.684 20 0 DHADHO Cc1cccc(C)c1OC[C@@H](C)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623374780 1017007090 /nfs/dbraw/zinc/00/70/90/1017007090.db2.gz OQGPPTVNSPRZBH-IAGOWNOFSA-N 1 3 304.478 3.533 20 0 DHADHO Cc1cccc(C)c1OC[C@@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623374780 1017007104 /nfs/dbraw/zinc/00/71/04/1017007104.db2.gz OQGPPTVNSPRZBH-IAGOWNOFSA-N 1 3 304.478 3.533 20 0 DHADHO Fc1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000380075412 1017017439 /nfs/dbraw/zinc/01/74/39/1017017439.db2.gz CWEXMVOZTWICJE-VQTJNVASSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1cccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000380075412 1017017446 /nfs/dbraw/zinc/01/74/46/1017017446.db2.gz CWEXMVOZTWICJE-VQTJNVASSA-N 1 3 324.443 3.780 20 0 DHADHO CCCOc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000192838248 1017072097 /nfs/dbraw/zinc/07/20/97/1017072097.db2.gz QKCDMRZUIUUJEF-HNNXBMFYSA-N 1 3 302.462 3.753 20 0 DHADHO CC(C)(C[NH2+]C1CC(c2cccc(F)c2)C1)CN1CCCC1 ZINC000477949602 1033375958 /nfs/dbraw/zinc/37/59/58/1033375958.db2.gz QGEVCDVNCIUOQW-UHFFFAOYSA-N 1 3 304.453 3.783 20 0 DHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Cl ZINC000177263760 1017099477 /nfs/dbraw/zinc/09/94/77/1017099477.db2.gz PCKHUEYODRUWPF-XHSDSOJGSA-N 1 3 324.896 3.880 20 0 DHADHO Cc1cccc([C@H](C)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000122400692 1032541109 /nfs/dbraw/zinc/54/11/09/1032541109.db2.gz TWUWJVHCZAUMND-KRWDZBQOSA-N 1 3 312.457 3.786 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(-c3ccncc3)c2)[C@H](C)C1 ZINC000093639233 1032550369 /nfs/dbraw/zinc/55/03/69/1032550369.db2.gz AHUHXRPESIOOJQ-DYESRHJHSA-N 1 3 323.484 3.911 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(-c3ccncc3)c2)[C@H](C)C1 ZINC000093639233 1032550373 /nfs/dbraw/zinc/55/03/73/1032550373.db2.gz AHUHXRPESIOOJQ-DYESRHJHSA-N 1 3 323.484 3.911 20 0 DHADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(OC(F)F)cc1 ZINC000579712830 1011956424 /nfs/dbraw/zinc/95/64/24/1011956424.db2.gz CUZYNWVWJBOODO-LBPRGKRZSA-N 1 3 306.356 3.598 20 0 DHADHO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)sc1Br ZINC000424375307 1012013486 /nfs/dbraw/zinc/01/34/86/1012013486.db2.gz MRBLJJNXXOHJHD-HBNTYKKESA-N 1 3 317.296 3.740 20 0 DHADHO C[C@H](Cc1c(F)cccc1Cl)N1CCC(C[NH+](C)C)CC1 ZINC001172854682 1033423549 /nfs/dbraw/zinc/42/35/49/1033423549.db2.gz WVTHZMMZGJEFDS-CYBMUJFWSA-N 1 3 312.860 3.684 20 0 DHADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000037140853 1012837151 /nfs/dbraw/zinc/83/71/51/1012837151.db2.gz BGAAHLAIZONIBS-GFCCVEGCSA-N 1 3 323.278 3.727 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000517168227 1012922981 /nfs/dbraw/zinc/92/29/81/1012922981.db2.gz UVWYJXUKTHLQDI-YJBOKZPZSA-N 1 3 310.441 3.674 20 0 DHADHO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425941591 1012980188 /nfs/dbraw/zinc/98/01/88/1012980188.db2.gz CBDNLEDEVQUAJF-KBPBESRZSA-N 1 3 317.502 3.967 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C[C@H](C)CN(C)C)c2ccccc12 ZINC000425939859 1012981495 /nfs/dbraw/zinc/98/14/95/1012981495.db2.gz FALVZNGQNMMKBZ-GJZGRUSLSA-N 1 3 300.446 3.697 20 0 DHADHO COc1ccc([C@H](C)NC[C@H](C)C[NH+](C)C)c2ccccc12 ZINC000425939859 1012981501 /nfs/dbraw/zinc/98/15/01/1012981501.db2.gz FALVZNGQNMMKBZ-GJZGRUSLSA-N 1 3 300.446 3.697 20 0 DHADHO COc1ccc(C2CCC([NH2+]C[C@H](C)CN(C)C)CC2)cc1 ZINC000425942862 1012987549 /nfs/dbraw/zinc/98/75/49/1012987549.db2.gz GZBVYMDELXYBEZ-HJOIGYKYSA-N 1 3 304.478 3.509 20 0 DHADHO CSCCN(C)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168060678 1017109603 /nfs/dbraw/zinc/10/96/03/1017109603.db2.gz XQSINWIQBGZYQK-ALXJQNPVSA-N 1 3 306.519 3.723 20 0 DHADHO CSCCN(C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168060678 1017109609 /nfs/dbraw/zinc/10/96/09/1017109609.db2.gz XQSINWIQBGZYQK-ALXJQNPVSA-N 1 3 306.519 3.723 20 0 DHADHO Clc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000716335669 1032696610 /nfs/dbraw/zinc/69/66/10/1032696610.db2.gz RIIBJJWPZUGMHM-UONOGXRCSA-N 1 3 313.272 3.752 20 0 DHADHO Clc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000716335669 1032696615 /nfs/dbraw/zinc/69/66/15/1032696615.db2.gz RIIBJJWPZUGMHM-UONOGXRCSA-N 1 3 313.272 3.752 20 0 DHADHO C[C@@H](Cc1ccco1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716649018 1032698984 /nfs/dbraw/zinc/69/89/84/1032698984.db2.gz HMOMHMDBSITWOK-LEAZDLGRSA-N 1 3 324.468 3.853 20 0 DHADHO CSC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716682124 1032701575 /nfs/dbraw/zinc/70/15/75/1032701575.db2.gz MZUOTNQQEAJWOQ-KSZLIROESA-N 1 3 318.530 3.771 20 0 DHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CS1 ZINC000716674430 1032703773 /nfs/dbraw/zinc/70/37/73/1032703773.db2.gz XJGFNFKXGJFRNU-XXQMMXQMSA-N 1 3 316.514 3.523 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(Br)s1 ZINC000444782721 1017662478 /nfs/dbraw/zinc/66/24/78/1017662478.db2.gz KKCCPHYMOQXRKW-QWRGUYRKSA-N 1 3 317.296 3.646 20 0 DHADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000624122672 1017696553 /nfs/dbraw/zinc/69/65/53/1017696553.db2.gz YGBROSRVOLXFMR-LZQZEXGQSA-N 1 3 304.453 3.783 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000624121727 1017697148 /nfs/dbraw/zinc/69/71/48/1017697148.db2.gz BZLXZIKUJLIQHB-NXVRBGIVSA-N 1 3 306.881 3.908 20 0 DHADHO C[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccccn1 ZINC000658063976 1018011816 /nfs/dbraw/zinc/01/18/16/1018011816.db2.gz MCCRVYGSCLJCGO-SQGPQFPESA-N 1 3 315.505 3.818 20 0 DHADHO C[C@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccccn1 ZINC000658063973 1018012558 /nfs/dbraw/zinc/01/25/58/1018012558.db2.gz MCCRVYGSCLJCGO-HLIPFELVSA-N 1 3 315.505 3.818 20 0 DHADHO CC(C)C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccccn1 ZINC000183952980 1018051780 /nfs/dbraw/zinc/05/17/80/1018051780.db2.gz MFCOOIMFCDHUND-SFHVURJKSA-N 1 3 303.494 3.880 20 0 DHADHO COc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1F ZINC000123623827 1018092647 /nfs/dbraw/zinc/09/26/47/1018092647.db2.gz KFRBDYJUWZSJMX-AWEZNQCLSA-N 1 3 316.420 3.747 20 0 DHADHO Clc1ccc(CCCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000524893169 1018119156 /nfs/dbraw/zinc/11/91/56/1018119156.db2.gz DQNBTEGSCKIMBB-QGZVFWFLSA-N 1 3 306.881 3.690 20 0 DHADHO CC1(C)[C@H](CNC2CC[NH+](C3CCCCC3)CC2)C1(F)F ZINC000657736955 1018136724 /nfs/dbraw/zinc/13/67/24/1018136724.db2.gz AAOKNQBBBGKCLU-HNNXBMFYSA-N 1 3 300.437 3.664 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(SC(F)(F)F)cc2)C1 ZINC000841054952 1018151839 /nfs/dbraw/zinc/15/18/39/1018151839.db2.gz IFMXZPBZTOQWOR-VXGBXAGGSA-N 1 3 304.381 3.658 20 0 DHADHO CC[C@]1(C)CCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658162440 1018184186 /nfs/dbraw/zinc/18/41/86/1018184186.db2.gz DFFSLCVVCJFILW-VQTJNVASSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@]3(C)CC3(F)F)CC2)C1 ZINC000658217120 1018284428 /nfs/dbraw/zinc/28/44/28/1018284428.db2.gz DQTPZOXKDIRJIK-KBMXLJTQSA-N 1 3 300.437 3.664 20 0 DHADHO Fc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC3CC3)CC1)CCC2 ZINC000526000028 1018436113 /nfs/dbraw/zinc/43/61/13/1018436113.db2.gz APHOEKWAEAOPDE-LJQANCHMSA-N 1 3 302.437 3.667 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000447811142 1018481115 /nfs/dbraw/zinc/48/11/15/1018481115.db2.gz CWPVSJIPJJKBTE-DLBZAZTESA-N 1 3 310.844 3.628 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000447811142 1018481117 /nfs/dbraw/zinc/48/11/17/1018481117.db2.gz CWPVSJIPJJKBTE-DLBZAZTESA-N 1 3 310.844 3.628 20 0 DHADHO COc1ccccc1[C@H]1CCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583505248 1018516011 /nfs/dbraw/zinc/51/60/11/1018516011.db2.gz XXTFWBZFOHPVLR-HXUWFJFHSA-N 1 3 322.452 3.678 20 0 DHADHO [NH3+]CC1(CCN[C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000650745903 1018644709 /nfs/dbraw/zinc/64/47/09/1018644709.db2.gz QPCUGXNNQBMICK-IBGZPJMESA-N 1 3 321.424 3.636 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000650756670 1018685653 /nfs/dbraw/zinc/68/56/53/1018685653.db2.gz HOUFKHPRBQCUNN-GOSISDBHSA-N 1 3 300.833 3.837 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000650758229 1018694102 /nfs/dbraw/zinc/69/41/02/1018694102.db2.gz LMHFUYKZHVSIHB-SFHVURJKSA-N 1 3 300.833 3.837 20 0 DHADHO CCOc1cccc([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000765238244 1018726355 /nfs/dbraw/zinc/72/63/55/1018726355.db2.gz NOPHRQYWORUMBV-IRXDYDNUSA-N 1 3 304.478 3.858 20 0 DHADHO CC[NH+]1CCC(N[C@H]2CCCc3ccc(SC)cc32)CC1 ZINC000583994974 1018809360 /nfs/dbraw/zinc/80/93/60/1018809360.db2.gz WLSDMGZINZGWAJ-SFHVURJKSA-N 1 3 304.503 3.860 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000584008123 1018836941 /nfs/dbraw/zinc/83/69/41/1018836941.db2.gz CWNNCDHKNHFLRM-BEFAXECRSA-N 1 3 320.908 3.983 20 0 DHADHO CC(C)CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000584080623 1018929433 /nfs/dbraw/zinc/92/94/33/1018929433.db2.gz KUTYOYQDHNVAHL-FXAWDEMLSA-N 1 3 318.505 3.884 20 0 DHADHO CC(C)CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000584080623 1018929450 /nfs/dbraw/zinc/92/94/50/1018929450.db2.gz KUTYOYQDHNVAHL-FXAWDEMLSA-N 1 3 318.505 3.884 20 0 DHADHO COc1ccc(CCC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171619519 1032804529 /nfs/dbraw/zinc/80/45/29/1032804529.db2.gz NOVCEZRUGYAGMU-UHFFFAOYSA-N 1 3 318.505 3.869 20 0 DHADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(C(F)F)nc1 ZINC000657846810 1019149414 /nfs/dbraw/zinc/14/94/14/1019149414.db2.gz SQENKXCZVPTCFQ-GFCCVEGCSA-N 1 3 309.404 3.544 20 0 DHADHO Cc1nc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)sc1C(C)(C)C ZINC000923361525 1019156718 /nfs/dbraw/zinc/15/67/18/1019156718.db2.gz FVYOOFXXAMYAIJ-CABCVRRESA-N 1 3 321.534 3.571 20 0 DHADHO Cc1ccccc1CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708538851 1019253722 /nfs/dbraw/zinc/25/37/22/1019253722.db2.gz IGEOKYILPHQRAA-RXVVDRJESA-N 1 3 308.469 3.853 20 0 DHADHO Cc1ccccc1CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000708538851 1019253736 /nfs/dbraw/zinc/25/37/36/1019253736.db2.gz IGEOKYILPHQRAA-RXVVDRJESA-N 1 3 308.469 3.853 20 0 DHADHO Cc1ccccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000708538851 1019253748 /nfs/dbraw/zinc/25/37/48/1019253748.db2.gz IGEOKYILPHQRAA-RXVVDRJESA-N 1 3 308.469 3.853 20 0 DHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000172268256 1019256919 /nfs/dbraw/zinc/25/69/19/1019256919.db2.gz HKPWYDZDICIVFQ-CHWSQXEVSA-N 1 3 316.367 3.530 20 0 DHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](CN(C)C)C1 ZINC000172268256 1019256928 /nfs/dbraw/zinc/25/69/28/1019256928.db2.gz HKPWYDZDICIVFQ-CHWSQXEVSA-N 1 3 316.367 3.530 20 0 DHADHO CCCCN1CCC([NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657859736 1019338793 /nfs/dbraw/zinc/33/87/93/1019338793.db2.gz UBAPHMSKEPHLSB-AWEZNQCLSA-N 1 3 301.434 3.743 20 0 DHADHO CC(C)[C@H](NCCC[N@H+](C)Cc1ccccc1)c1cccnc1 ZINC000091266752 1019454189 /nfs/dbraw/zinc/45/41/89/1019454189.db2.gz LGPKRXPAPCGBSC-FQEVSTJZSA-N 1 3 311.473 3.890 20 0 DHADHO CC(C)[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1cccnc1 ZINC000091266752 1019454193 /nfs/dbraw/zinc/45/41/93/1019454193.db2.gz LGPKRXPAPCGBSC-FQEVSTJZSA-N 1 3 311.473 3.890 20 0 DHADHO CC(C)(C[NH2+]C1CCN(C2CCCC2)CC1)Oc1ccccc1 ZINC000513233978 1019569965 /nfs/dbraw/zinc/56/99/65/1019569965.db2.gz QJRFHMDTQHTNSS-UHFFFAOYSA-N 1 3 316.489 3.841 20 0 DHADHO CC(C)[NH2+]CCCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000643508511 1032870050 /nfs/dbraw/zinc/87/00/50/1032870050.db2.gz WFSDBZVNNOJMBF-ZDUSSCGKSA-N 1 3 302.384 3.614 20 0 DHADHO CCN(CC)Cc1cccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1F ZINC001168602259 1020043645 /nfs/dbraw/zinc/04/36/45/1020043645.db2.gz HUIDUVUKLCZINC-WMZOPIPTSA-N 1 3 321.484 3.952 20 0 DHADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc2ccncc2s1 ZINC000658027918 1020090156 /nfs/dbraw/zinc/09/01/56/1020090156.db2.gz AFUHPNUHYHSBQR-JZIBPQBNSA-N 1 3 301.459 3.572 20 0 DHADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2ccncc2s1 ZINC000658027918 1020090161 /nfs/dbraw/zinc/09/01/61/1020090161.db2.gz AFUHPNUHYHSBQR-JZIBPQBNSA-N 1 3 301.459 3.572 20 0 DHADHO Cc1ccncc1CCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000658126241 1020175102 /nfs/dbraw/zinc/17/51/02/1020175102.db2.gz LMMYHOFQQTUFMQ-OXJNMPFZSA-N 1 3 315.505 3.565 20 0 DHADHO CC[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165433 1020199567 /nfs/dbraw/zinc/19/95/67/1020199567.db2.gz JPBNZMHOBVJION-WOJBJXKFSA-N 1 3 315.505 3.852 20 0 DHADHO Fc1cccc2c1C[C@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001171784833 1032884314 /nfs/dbraw/zinc/88/43/14/1032884314.db2.gz ICHQWUVZQMEQCG-QGZVFWFLSA-N 1 3 316.464 3.680 20 0 DHADHO Fc1cccc2c1C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001171784833 1032884334 /nfs/dbraw/zinc/88/43/34/1032884334.db2.gz ICHQWUVZQMEQCG-QGZVFWFLSA-N 1 3 316.464 3.680 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3C(C)(C)C3(F)F)CC2)C1 ZINC000658283926 1020282412 /nfs/dbraw/zinc/28/24/12/1020282412.db2.gz XHNBFWGNHLTSLW-BMFZPTHFSA-N 1 3 314.464 3.910 20 0 DHADHO CC1([NH+]2CCC2)CCC(NCc2ccc(F)c(F)c2F)CC1 ZINC000922846531 1020305141 /nfs/dbraw/zinc/30/51/41/1020305141.db2.gz MOLNIZCQMMWQPT-UHFFFAOYSA-N 1 3 312.379 3.601 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2ccc(C)cn2)CC1)CC1CC1 ZINC000537756189 1032909304 /nfs/dbraw/zinc/90/93/04/1032909304.db2.gz PJBUGQQHJAOEAW-UHFFFAOYSA-N 1 3 315.505 3.724 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2ccc(C)cn2)CC1)CC1CC1 ZINC000537756189 1032909320 /nfs/dbraw/zinc/90/93/20/1032909320.db2.gz PJBUGQQHJAOEAW-UHFFFAOYSA-N 1 3 315.505 3.724 20 0 DHADHO CCN(CC)Cc1cccc(NCC(C)(C)C[NH+](C)C)c1F ZINC001168769690 1020685470 /nfs/dbraw/zinc/68/54/70/1020685470.db2.gz WTUQXIIFPAAXKS-UHFFFAOYSA-N 1 3 309.473 3.667 20 0 DHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CCCC1 ZINC001171957683 1032922194 /nfs/dbraw/zinc/92/21/94/1032922194.db2.gz ABMZUKHECFEENI-AWEZNQCLSA-N 1 3 314.395 3.712 20 0 DHADHO COc1ccccc1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000154542813 1020705070 /nfs/dbraw/zinc/70/50/70/1020705070.db2.gz SJYFWZVHZSAPIR-UHFFFAOYSA-N 1 3 316.489 3.624 20 0 DHADHO CCSCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000612879917 1020737771 /nfs/dbraw/zinc/73/77/71/1020737771.db2.gz BRFZYENWKRQPIC-GUDVDZBRSA-N 1 3 318.530 3.630 20 0 DHADHO c1ccc(CN2CC[C@H](C[NH2+][C@H]3CCCc4cccnc43)C2)cc1 ZINC000310090674 1020765003 /nfs/dbraw/zinc/76/50/03/1020765003.db2.gz QWGHUECBAIYYAN-QUCCMNQESA-N 1 3 321.468 3.571 20 0 DHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H]1CCCN1C ZINC001171960447 1032930432 /nfs/dbraw/zinc/93/04/32/1032930432.db2.gz ZOQRNUOYVADPAV-XJKSGUPXSA-N 1 3 314.395 3.710 20 0 DHADHO CC[N@@H+]1CC[C@@H](NCc2cn(C(F)F)c3ccccc23)[C@H](C)C1 ZINC000858535528 1032935258 /nfs/dbraw/zinc/93/52/58/1032935258.db2.gz BIMOGPOWTTZHIJ-CZUORRHYSA-N 1 3 321.415 3.856 20 0 DHADHO CC[N@H+]1CC[C@@H](NCc2cn(C(F)F)c3ccccc23)[C@H](C)C1 ZINC000858535528 1032935269 /nfs/dbraw/zinc/93/52/69/1032935269.db2.gz BIMOGPOWTTZHIJ-CZUORRHYSA-N 1 3 321.415 3.856 20 0 DHADHO COCC1([NH2+]C2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000668811631 1020876823 /nfs/dbraw/zinc/87/68/23/1020876823.db2.gz XASUQDYIYKGNML-UHFFFAOYSA-N 1 3 308.510 3.722 20 0 DHADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)CC2 ZINC000173232338 1020904911 /nfs/dbraw/zinc/90/49/11/1020904911.db2.gz QOINNEDKLRDMAK-GOSISDBHSA-N 1 3 302.462 3.535 20 0 DHADHO CO[C@H](c1ccccc1Cl)[C@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000414122931 1020913653 /nfs/dbraw/zinc/91/36/53/1020913653.db2.gz AXRATLVYSGNRHN-UGSOOPFHSA-N 1 3 322.880 3.632 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c(C)c1 ZINC000414132731 1020923260 /nfs/dbraw/zinc/92/32/60/1020923260.db2.gz ZVLLWZHDLBXJSD-IAGOWNOFSA-N 1 3 304.478 3.775 20 0 DHADHO c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000570926727 1020952654 /nfs/dbraw/zinc/95/26/54/1020952654.db2.gz HJVBUGCNWKXYIP-HXUWFJFHSA-N 1 3 306.453 3.973 20 0 DHADHO c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000570926727 1020952656 /nfs/dbraw/zinc/95/26/56/1020952656.db2.gz HJVBUGCNWKXYIP-HXUWFJFHSA-N 1 3 306.453 3.973 20 0 DHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)OCC2CC2)CC1 ZINC000414250441 1021031469 /nfs/dbraw/zinc/03/14/69/1021031469.db2.gz BDEJNIHHIPGXEK-LPHOPBHVSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)C1CCC(C(F)(F)F)CC1 ZINC000423274686 1021165764 /nfs/dbraw/zinc/16/57/64/1021165764.db2.gz KTJIAZSJJONWEC-XPTIKBJXSA-N 1 3 306.416 3.851 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccccc2OC)C2CCCC2)C1 ZINC000091287722 1021274518 /nfs/dbraw/zinc/27/45/18/1021274518.db2.gz TUDPTCQHFUINLN-OXJNMPFZSA-N 1 3 316.489 3.858 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1csc(C(F)(F)F)c1 ZINC000924650020 1032968977 /nfs/dbraw/zinc/96/89/77/1032968977.db2.gz PMGPOLLTPAHPQR-QWRGUYRKSA-N 1 3 318.408 3.902 20 0 DHADHO COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000125792867 1032974545 /nfs/dbraw/zinc/97/45/45/1032974545.db2.gz ZEPFNEFGRNBYMK-HKUYNNGSSA-N 1 3 318.505 3.726 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1Cl ZINC000624120570 1021393139 /nfs/dbraw/zinc/39/31/39/1021393139.db2.gz BTPFQHHCLKGFTE-KBPBESRZSA-N 1 3 310.869 3.731 20 0 DHADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(C(F)(F)F)c1 ZINC000181617843 1021575706 /nfs/dbraw/zinc/57/57/06/1021575706.db2.gz KXUXRCYOKIONHR-DOMZBBRYSA-N 1 3 300.368 3.840 20 0 DHADHO CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000125845526 1032999024 /nfs/dbraw/zinc/99/90/24/1032999024.db2.gz WFXWNFRPWOSFEL-IRXDYDNUSA-N 1 3 304.478 3.856 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3ccc(Cl)cc31)C2 ZINC001172107543 1033011524 /nfs/dbraw/zinc/01/15/24/1033011524.db2.gz ZKEWLYBQFBKEGA-CUSZFKRNSA-N 1 3 304.865 3.932 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3ccc(Cl)cc31)C2 ZINC001172107543 1033011542 /nfs/dbraw/zinc/01/15/42/1033011542.db2.gz ZKEWLYBQFBKEGA-CUSZFKRNSA-N 1 3 304.865 3.932 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccccc1-c1cccnc1)C2 ZINC001172112618 1033017328 /nfs/dbraw/zinc/01/73/28/1033017328.db2.gz YHRPQOVLBLQHNB-ACDBMABISA-N 1 3 321.468 3.854 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccccc1-c1cccnc1)C2 ZINC001172112618 1033017343 /nfs/dbraw/zinc/01/73/43/1033017343.db2.gz YHRPQOVLBLQHNB-ACDBMABISA-N 1 3 321.468 3.854 20 0 DHADHO COc1cccc(C2(N[C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCC2)c1 ZINC001172113596 1033017768 /nfs/dbraw/zinc/01/77/68/1033017768.db2.gz IAGPNGODDQGOHW-BCDXTJNWSA-N 1 3 314.473 3.679 20 0 DHADHO COc1cccc(C2(N[C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCC2)c1 ZINC001172113596 1033017781 /nfs/dbraw/zinc/01/77/81/1033017781.db2.gz IAGPNGODDQGOHW-BCDXTJNWSA-N 1 3 314.473 3.679 20 0 DHADHO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c(F)c1F ZINC001172114216 1033018717 /nfs/dbraw/zinc/01/87/17/1033018717.db2.gz MGKQDRZHVVEQBB-ZQDZILKHSA-N 1 3 308.416 3.939 20 0 DHADHO COc1c(F)cccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172115741 1033020859 /nfs/dbraw/zinc/02/08/59/1033020859.db2.gz ZTGWXKWXIYGOKU-ZQDZILKHSA-N 1 3 306.425 3.500 20 0 DHADHO NCCC[N@H+](C1CCCCC1)[C@@H]1CSc2ccccc2C1 ZINC001172186645 1033029090 /nfs/dbraw/zinc/02/90/90/1033029090.db2.gz BAWNUOSDFWUOCI-KRWDZBQOSA-N 1 3 304.503 3.687 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)[C@@H]1CSc2ccccc2C1 ZINC001172186645 1033029103 /nfs/dbraw/zinc/02/91/03/1033029103.db2.gz BAWNUOSDFWUOCI-KRWDZBQOSA-N 1 3 304.503 3.687 20 0 DHADHO CCCCO[C@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(C)C ZINC000766450667 1022120321 /nfs/dbraw/zinc/12/03/21/1022120321.db2.gz CDFSXYKRRLLJEO-OALUTQOASA-N 1 3 322.537 3.967 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3nccs3)cc1)C2 ZINC001169100052 1022246925 /nfs/dbraw/zinc/24/69/25/1022246925.db2.gz FHNQMPCNBZBCSM-OSYLJGHBSA-N 1 3 313.470 3.525 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCSc1ccc(Cl)cc1)C2 ZINC001169089553 1022255534 /nfs/dbraw/zinc/25/55/34/1022255534.db2.gz CPSWAPKAQZHLGY-QKDCVEJESA-N 1 3 310.894 3.647 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCSc1ccc(Cl)cc1)C2 ZINC001169089553 1022255543 /nfs/dbraw/zinc/25/55/43/1022255543.db2.gz CPSWAPKAQZHLGY-QKDCVEJESA-N 1 3 310.894 3.647 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCSc1ccc(Cl)cc1)C2 ZINC001169089553 1022255556 /nfs/dbraw/zinc/25/55/56/1022255556.db2.gz CPSWAPKAQZHLGY-QKDCVEJESA-N 1 3 310.894 3.647 20 0 DHADHO FC(F)(F)C1CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925535568 1022257570 /nfs/dbraw/zinc/25/75/70/1022257570.db2.gz HKMXHWLDTZUTHT-QDIHITRGSA-N 1 3 318.427 3.865 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)cc1)C2 ZINC001169109048 1022267197 /nfs/dbraw/zinc/26/71/97/1022267197.db2.gz HCTBECQLRBRJKE-BJWYYQGGSA-N 1 3 302.462 3.579 20 0 DHADHO CC[NH+]1CCC(n2c3ccccc3nc2[C@H]2CCCCN2)CC1 ZINC001169263908 1022318650 /nfs/dbraw/zinc/31/86/50/1022318650.db2.gz COSJQZJXPHHZQU-QGZVFWFLSA-N 1 3 312.461 3.508 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2cccs2)[C@@H](C)C1 ZINC000156362583 1022457214 /nfs/dbraw/zinc/45/72/14/1022457214.db2.gz KTXFLCRUAMRVJZ-ULQDDVLXSA-N 1 3 324.534 3.926 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2cccs2)[C@@H](C)C1 ZINC000156362583 1022457215 /nfs/dbraw/zinc/45/72/15/1022457215.db2.gz KTXFLCRUAMRVJZ-ULQDDVLXSA-N 1 3 324.534 3.926 20 0 DHADHO C[C@@H](NCc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000396456908 1022475531 /nfs/dbraw/zinc/47/55/31/1022475531.db2.gz NGFWFYKMLAGORY-LLVKDONJSA-N 1 3 301.261 3.813 20 0 DHADHO CC[NH+]1CCC(N[C@H](C)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000156725476 1022489066 /nfs/dbraw/zinc/48/90/66/1022489066.db2.gz MFSCNFQHJTXMPE-OAHLLOKOSA-N 1 3 304.478 3.999 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc(Cl)c1Cl ZINC000158114283 1022602736 /nfs/dbraw/zinc/60/27/36/1022602736.db2.gz XQWGNXLIHYPMKV-NEPJUHHUSA-N 1 3 301.261 3.986 20 0 DHADHO C[C@@H](NC1(C)CC(F)(F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877834014 1033478320 /nfs/dbraw/zinc/47/83/20/1033478320.db2.gz NVHOCMDICMYYBD-GDBMZVCRSA-N 1 3 308.416 3.674 20 0 DHADHO C[C@@H](NC1(C)CC(F)(F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877834014 1033478326 /nfs/dbraw/zinc/47/83/26/1033478326.db2.gz NVHOCMDICMYYBD-GDBMZVCRSA-N 1 3 308.416 3.674 20 0 DHADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000584807367 1022759162 /nfs/dbraw/zinc/75/91/62/1022759162.db2.gz VTOJVZBOMFLZQD-BCFRTAFHSA-N 1 3 308.416 3.673 20 0 DHADHO CC(C)[C@H](CN1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000584839341 1022798589 /nfs/dbraw/zinc/79/85/89/1022798589.db2.gz JUOLXRSSZUFFOS-FQEVSTJZSA-N 1 3 300.490 3.890 20 0 DHADHO CC[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)CC(F)F ZINC000660256644 1022824108 /nfs/dbraw/zinc/82/41/08/1022824108.db2.gz MODKSAKMVICWSB-QLFBSQMISA-N 1 3 302.453 3.910 20 0 DHADHO COC1(CCN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC000338997502 1022842324 /nfs/dbraw/zinc/84/23/24/1022842324.db2.gz NIQKNOJGVLSXIT-ROUUACIJSA-N 1 3 308.510 3.532 20 0 DHADHO COC1(CCN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC000338997502 1022842331 /nfs/dbraw/zinc/84/23/31/1022842331.db2.gz NIQKNOJGVLSXIT-ROUUACIJSA-N 1 3 308.510 3.532 20 0 DHADHO CC[C@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc2c(c1)CCCO2 ZINC000768095060 1022882744 /nfs/dbraw/zinc/88/27/44/1022882744.db2.gz ZPTJTDXCRGHFEB-LPHOPBHVSA-N 1 3 316.489 3.784 20 0 DHADHO Cc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1Oc1cccnc1 ZINC000414925399 1022922351 /nfs/dbraw/zinc/92/23/51/1022922351.db2.gz LTFGJPAATIAOTG-IAGOWNOFSA-N 1 3 311.429 3.542 20 0 DHADHO CCCCCOc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1OC ZINC000414929635 1022928366 /nfs/dbraw/zinc/92/83/66/1022928366.db2.gz RWARYYMXBKNETO-IRXDYDNUSA-N 1 3 320.477 3.624 20 0 DHADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c(OCC2CC2)c1 ZINC000166911296 1023026078 /nfs/dbraw/zinc/02/60/78/1023026078.db2.gz CADMETYUEMMQFU-FRQCXROJSA-N 1 3 316.489 3.602 20 0 DHADHO FC1(F)CC12CCC([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)CC2 ZINC000925710637 1023321691 /nfs/dbraw/zinc/32/16/91/1023321691.db2.gz XIJDIBIGKIVQEI-VUROTCPHSA-N 1 3 312.448 3.712 20 0 DHADHO CC(CN1CCC[C@@H](CCF)C1)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661691297 1023689848 /nfs/dbraw/zinc/68/98/48/1023689848.db2.gz TWFWQAXNZPIEKI-ROUUACIJSA-N 1 3 316.480 3.766 20 0 DHADHO CC(CN1CCC[C@@H](CCF)C1)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000661691297 1023689853 /nfs/dbraw/zinc/68/98/53/1023689853.db2.gz TWFWQAXNZPIEKI-ROUUACIJSA-N 1 3 316.480 3.766 20 0 DHADHO CC(C)c1ccc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)n1 ZINC001206035183 1023844668 /nfs/dbraw/zinc/84/46/68/1023844668.db2.gz BWPLNCLZHMBJHH-ZIAGYGMSSA-N 1 3 309.885 3.665 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000246153945 1023898020 /nfs/dbraw/zinc/89/80/20/1023898020.db2.gz LEGRLERNIHGYDP-SWLSCSKDSA-N 1 3 300.368 3.525 20 0 DHADHO C[C@@H](NCC1CC[NH+](CC2CC2)CC1)c1cc(F)ccc1F ZINC000658358718 1023957751 /nfs/dbraw/zinc/95/77/51/1023957751.db2.gz XMRXHVVMORJVEZ-CYBMUJFWSA-N 1 3 308.416 3.737 20 0 DHADHO CC(C)Oc1cccc(CN(C)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662280748 1024059198 /nfs/dbraw/zinc/05/91/98/1024059198.db2.gz PZZQJCLHFRTQMC-UHFFFAOYSA-N 1 3 324.468 3.752 20 0 DHADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000662281947 1024063443 /nfs/dbraw/zinc/06/34/43/1024063443.db2.gz MSZJRADGEGICOC-ZDUSSCGKSA-N 1 3 300.833 3.837 20 0 DHADHO C[C@@H](c1c(F)cccc1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297426 1024082214 /nfs/dbraw/zinc/08/22/14/1024082214.db2.gz PRHCWQRPSNXBRA-DZGCQCFKSA-N 1 3 308.416 3.737 20 0 DHADHO CCCCc1nc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662315016 1024100927 /nfs/dbraw/zinc/10/09/27/1024100927.db2.gz RYNVQJCBDPKKTE-GDBMZVCRSA-N 1 3 309.523 3.825 20 0 DHADHO C[C@@H]1CCCN(Cc2cc(-c3cccs3)on2)[C@@H]1CCC[NH3+] ZINC000662314044 1024104590 /nfs/dbraw/zinc/10/45/90/1024104590.db2.gz LRLDZBQHYPNTQH-UKRRQHHQSA-N 1 3 319.474 3.743 20 0 DHADHO CN1CCCC[C@@H]1CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000268672268 1024140370 /nfs/dbraw/zinc/14/03/70/1024140370.db2.gz UMYIQWYBXZTGPG-QGZVFWFLSA-N 1 3 324.472 3.526 20 0 DHADHO CN1CCCC[C@@H]1CC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000268672268 1024140378 /nfs/dbraw/zinc/14/03/78/1024140378.db2.gz UMYIQWYBXZTGPG-QGZVFWFLSA-N 1 3 324.472 3.526 20 0 DHADHO CC[C@H](NC1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)CCO2 ZINC000269050400 1024230180 /nfs/dbraw/zinc/23/01/80/1024230180.db2.gz VVASOADNNNOUMA-IBGZPJMESA-N 1 3 314.473 3.679 20 0 DHADHO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000269061865 1024232316 /nfs/dbraw/zinc/23/23/16/1024232316.db2.gz XXJNLTDOZIGFNH-INIZCTEOSA-N 1 3 324.472 3.540 20 0 DHADHO Cc1ccncc1CCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000278871210 1024252954 /nfs/dbraw/zinc/25/29/54/1024252954.db2.gz GEWOTLPMEFFXOV-MJGOQNOKSA-N 1 3 315.505 3.565 20 0 DHADHO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000531735966 1024290398 /nfs/dbraw/zinc/29/03/98/1024290398.db2.gz LSXHDCAXCCKONJ-VXIBKDFQSA-N 1 3 318.505 3.991 20 0 DHADHO C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468061 1024405536 /nfs/dbraw/zinc/40/55/36/1024405536.db2.gz KCSVLAJBAZVAOP-AEFFLSMTSA-N 1 3 318.480 3.858 20 0 DHADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466968 1024409575 /nfs/dbraw/zinc/40/95/75/1024409575.db2.gz CHAOYEQYYDXMFT-QFBILLFUSA-N 1 3 318.480 3.858 20 0 DHADHO Fc1cccc(C2CC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)c1 ZINC000663466708 1024411099 /nfs/dbraw/zinc/41/10/99/1024411099.db2.gz XFYQCSNYOYOFQT-VQSBYGRUSA-N 1 3 316.464 3.783 20 0 DHADHO CC[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468963 1024416322 /nfs/dbraw/zinc/41/63/22/1024416322.db2.gz NREHJOSXGBWKHF-SJORKVTESA-N 1 3 306.519 3.781 20 0 DHADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883438874 1024435375 /nfs/dbraw/zinc/43/53/75/1024435375.db2.gz DXZCWSCHHAHTND-HBFSDRIKSA-N 1 3 316.489 3.604 20 0 DHADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883438874 1024435382 /nfs/dbraw/zinc/43/53/82/1024435382.db2.gz DXZCWSCHHAHTND-HBFSDRIKSA-N 1 3 316.489 3.604 20 0 DHADHO C[C@@H](NCC1CC[NH+](Cc2cccs2)CC1)c1cscn1 ZINC000271126222 1024458849 /nfs/dbraw/zinc/45/88/49/1024458849.db2.gz KRHSMUGTTHMNNC-CYBMUJFWSA-N 1 3 321.515 3.767 20 0 DHADHO FC(F)(F)c1ccc([C@H]2CCC[C@@H]2[NH2+]CC23CC(C2)CN3)cc1 ZINC000663499514 1024491590 /nfs/dbraw/zinc/49/15/90/1024491590.db2.gz XVIHIQYTLBLNTN-HHBUMJEXSA-N 1 3 324.390 3.683 20 0 DHADHO CC[NH+](CC)CCC[C@H](C)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001167835294 1024609704 /nfs/dbraw/zinc/60/97/04/1024609704.db2.gz RFWDAAFRSIYUBB-CMKODMSKSA-N 1 3 318.505 3.959 20 0 DHADHO C[NH+](C)CC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000350185080 1024798880 /nfs/dbraw/zinc/79/88/80/1024798880.db2.gz SVVJYKNBSVGVSV-UHFFFAOYSA-N 1 3 321.515 3.645 20 0 DHADHO Cc1ccc(SC[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000893654699 1024834036 /nfs/dbraw/zinc/83/40/36/1024834036.db2.gz HAITWJGOXXMEDM-XYTVBORESA-N 1 3 304.503 3.690 20 0 DHADHO Cc1ccc(SC[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000893654699 1024834057 /nfs/dbraw/zinc/83/40/57/1024834057.db2.gz HAITWJGOXXMEDM-XYTVBORESA-N 1 3 304.503 3.690 20 0 DHADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@H]2C1 ZINC001172549984 1033242917 /nfs/dbraw/zinc/24/29/17/1033242917.db2.gz SAEYBMLNPYELHZ-NCYKPQTJSA-N 1 3 312.501 3.986 20 0 DHADHO Cc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000162841875 1024902310 /nfs/dbraw/zinc/90/23/10/1024902310.db2.gz KMUPFGKPIIVQSE-IIAWOOMASA-N 1 3 310.507 3.597 20 0 DHADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172549982 1033244447 /nfs/dbraw/zinc/24/44/47/1033244447.db2.gz SAEYBMLNPYELHZ-MXEMCNAFSA-N 1 3 312.501 3.986 20 0 DHADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172549982 1033244462 /nfs/dbraw/zinc/24/44/62/1033244462.db2.gz SAEYBMLNPYELHZ-MXEMCNAFSA-N 1 3 312.501 3.986 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179933 1025038936 /nfs/dbraw/zinc/03/89/36/1025038936.db2.gz ODTNXHCWCVUVFE-FPOVZHCZSA-N 1 3 308.469 3.902 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179933 1025038943 /nfs/dbraw/zinc/03/89/43/1025038943.db2.gz ODTNXHCWCVUVFE-FPOVZHCZSA-N 1 3 308.469 3.902 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179933 1025038958 /nfs/dbraw/zinc/03/89/58/1025038958.db2.gz ODTNXHCWCVUVFE-FPOVZHCZSA-N 1 3 308.469 3.902 20 0 DHADHO Fc1ccc([C@H](C[C@@H]2CCCO2)[NH2+]CCCN2CCCC2)cc1 ZINC000353387966 1025051654 /nfs/dbraw/zinc/05/16/54/1025051654.db2.gz PBRFHADABHQZLL-OALUTQOASA-N 1 3 320.452 3.511 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000021787469 1025088825 /nfs/dbraw/zinc/08/88/25/1025088825.db2.gz ZZAZYALOSQJPGY-UHFFFAOYSA-N 1 3 300.368 3.669 20 0 DHADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000539071939 1033268350 /nfs/dbraw/zinc/26/83/50/1033268350.db2.gz FWPQEHHLDKFDHL-ZSYWTGECSA-N 1 3 310.526 3.680 20 0 DHADHO CCc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000539073627 1033269032 /nfs/dbraw/zinc/26/90/32/1033269032.db2.gz NZXBOFSIRAGVOT-KSZLIROESA-N 1 3 318.505 3.789 20 0 DHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc(Cl)cn2)C1 ZINC000885924820 1025405034 /nfs/dbraw/zinc/40/50/34/1025405034.db2.gz VJUAXCYYZQLDFV-GJZGRUSLSA-N 1 3 309.885 3.583 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)CN1CCCCC1 ZINC000885927130 1025407592 /nfs/dbraw/zinc/40/75/92/1025407592.db2.gz NLQLOSVCETWJQC-QZTJIDSGSA-N 1 3 308.510 3.580 20 0 DHADHO CN1CC[C@@]2(C1)CCC[N@H+](CCSc1cccc(Cl)c1)C2 ZINC000660661384 1025423911 /nfs/dbraw/zinc/42/39/11/1025423911.db2.gz DGAVSXIPPJUKJK-QGZVFWFLSA-N 1 3 324.921 3.850 20 0 DHADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCSc1cccc(Cl)c1)C2 ZINC000660661384 1025423916 /nfs/dbraw/zinc/42/39/16/1025423916.db2.gz DGAVSXIPPJUKJK-QGZVFWFLSA-N 1 3 324.921 3.850 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(C(F)F)CC3)CC2)C1 ZINC000355173750 1025625803 /nfs/dbraw/zinc/62/58/03/1025625803.db2.gz YVSDCUCDTMRLOZ-HIFRSBDPSA-N 1 3 300.437 3.664 20 0 DHADHO C[C@H]([NH2+]C[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1cccnc1 ZINC000136598786 1025871625 /nfs/dbraw/zinc/87/16/25/1025871625.db2.gz YHUYIZODEPWQIX-ZIFCJYIRSA-N 1 3 309.457 3.643 20 0 DHADHO COC1(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CCC1 ZINC000429424283 1026113983 /nfs/dbraw/zinc/11/39/83/1026113983.db2.gz ZPGFEWZVPLISBF-ULQDDVLXSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(CSC(F)F)o2)CCN1C ZINC000093644779 1026119159 /nfs/dbraw/zinc/11/91/59/1026119159.db2.gz DQXISHOETYQQDI-VXGBXAGGSA-N 1 3 318.433 3.650 20 0 DHADHO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(CSC(F)F)o2)CCN1C ZINC000093644779 1026119167 /nfs/dbraw/zinc/11/91/67/1026119167.db2.gz DQXISHOETYQQDI-VXGBXAGGSA-N 1 3 318.433 3.650 20 0 DHADHO CCCCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245674603 1026121792 /nfs/dbraw/zinc/12/17/92/1026121792.db2.gz HTPVCWSLNYIRRC-OWZKRDHZSA-N 1 3 316.489 3.588 20 0 DHADHO CCCCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245674603 1026121798 /nfs/dbraw/zinc/12/17/98/1026121798.db2.gz HTPVCWSLNYIRRC-OWZKRDHZSA-N 1 3 316.489 3.588 20 0 DHADHO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000532968438 1026154018 /nfs/dbraw/zinc/15/40/18/1026154018.db2.gz CUSVIBUAXVFEQB-UYAOXDASSA-N 1 3 300.490 3.816 20 0 DHADHO C[C@H](CCc1ccccc1)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000532968438 1026154023 /nfs/dbraw/zinc/15/40/23/1026154023.db2.gz CUSVIBUAXVFEQB-UYAOXDASSA-N 1 3 300.490 3.816 20 0 DHADHO Cc1ccsc1[C@@H](C)NCc1ccccc1OCC[NH+](C)C ZINC000122332212 1026181697 /nfs/dbraw/zinc/18/16/97/1026181697.db2.gz WTKBEKYRGLFEKN-OAHLLOKOSA-N 1 3 318.486 3.848 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000052209494 1026260647 /nfs/dbraw/zinc/26/06/47/1026260647.db2.gz PUOZZAFZLHFGBH-UHFFFAOYSA-N 1 3 322.468 3.778 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000052209494 1026260655 /nfs/dbraw/zinc/26/06/55/1026260655.db2.gz PUOZZAFZLHFGBH-UHFFFAOYSA-N 1 3 322.468 3.778 20 0 DHADHO C[C@@H](Cc1ccc(O)cc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000513448360 1026509814 /nfs/dbraw/zinc/50/98/14/1026509814.db2.gz SCAMGHOMTQXUQZ-QFBILLFUSA-N 1 3 316.489 3.710 20 0 DHADHO C[C@@H](Cc1ccc(O)cc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000513448360 1026509824 /nfs/dbraw/zinc/50/98/24/1026509824.db2.gz SCAMGHOMTQXUQZ-QFBILLFUSA-N 1 3 316.489 3.710 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@@H](c2cccnc2)C2CCC2)c1 ZINC000280271374 1026623100 /nfs/dbraw/zinc/62/31/00/1026623100.db2.gz KTYYQTLHMTTYEN-HXUWFJFHSA-N 1 3 309.457 3.774 20 0 DHADHO CCN(C[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000647886116 1026679897 /nfs/dbraw/zinc/67/98/97/1026679897.db2.gz UJZVTUCPPVPYNP-STQMWFEESA-N 1 3 300.368 3.698 20 0 DHADHO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1C(F)(F)F ZINC000414444560 1026789004 /nfs/dbraw/zinc/78/90/04/1026789004.db2.gz QAGHFOBKIOBUFT-BBRMVZONSA-N 1 3 314.395 3.786 20 0 DHADHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C(F)(F)F ZINC000414444560 1026788995 /nfs/dbraw/zinc/78/89/95/1026788995.db2.gz QAGHFOBKIOBUFT-BBRMVZONSA-N 1 3 314.395 3.786 20 0 DHADHO COc1ccc([C@H](CN)C[N@H+](Cc2cccs2)C(C)C)cc1 ZINC000420296946 1026795263 /nfs/dbraw/zinc/79/52/63/1026795263.db2.gz CRXIARPTRBQKJO-MRXNPFEDSA-N 1 3 318.486 3.710 20 0 DHADHO COc1ccc([C@H](CN)C[N@@H+](Cc2cccs2)C(C)C)cc1 ZINC000420296946 1026795270 /nfs/dbraw/zinc/79/52/70/1026795270.db2.gz CRXIARPTRBQKJO-MRXNPFEDSA-N 1 3 318.486 3.710 20 0 DHADHO Cc1cc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)ccc1C(F)(F)F ZINC000414450869 1026798263 /nfs/dbraw/zinc/79/82/63/1026798263.db2.gz HTTHACZYTHGMLR-INIZCTEOSA-N 1 3 312.379 3.541 20 0 DHADHO Cc1cc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)ccc1C(F)(F)F ZINC000414450869 1026798273 /nfs/dbraw/zinc/79/82/73/1026798273.db2.gz HTTHACZYTHGMLR-INIZCTEOSA-N 1 3 312.379 3.541 20 0 DHADHO COc1ccc([C@H](C[NH3+])CN(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000420321328 1026803140 /nfs/dbraw/zinc/80/31/40/1026803140.db2.gz RGUQWRBBGHGSJM-WMLDXEAASA-N 1 3 316.420 3.570 20 0 DHADHO C[C@H](c1ccc(Cl)cc1)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420393415 1026812843 /nfs/dbraw/zinc/81/28/43/1026812843.db2.gz QKQYXIVWGYGPPW-JEBQAFNWSA-N 1 3 322.880 3.619 20 0 DHADHO CC[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CCO1 ZINC000421385156 1026976738 /nfs/dbraw/zinc/97/67/38/1026976738.db2.gz NHMUNMYCKNBQKP-WZGPROSRSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000421822438 1027057081 /nfs/dbraw/zinc/05/70/81/1027057081.db2.gz XACISUISHGPREK-KCXAZCMYSA-N 1 3 310.844 3.627 20 0 DHADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000421822438 1027057088 /nfs/dbraw/zinc/05/70/88/1027057088.db2.gz XACISUISHGPREK-KCXAZCMYSA-N 1 3 310.844 3.627 20 0 DHADHO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)n1 ZINC000421848187 1027075231 /nfs/dbraw/zinc/07/52/31/1027075231.db2.gz ABKYTURWFCSJGS-HRAATJIYSA-N 1 3 323.484 3.699 20 0 DHADHO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)n1 ZINC000421848187 1027075235 /nfs/dbraw/zinc/07/52/35/1027075235.db2.gz ABKYTURWFCSJGS-HRAATJIYSA-N 1 3 323.484 3.699 20 0 DHADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000561955062 1027142046 /nfs/dbraw/zinc/14/20/46/1027142046.db2.gz OVOANQDZNMILJP-ICSRJNTNSA-N 1 3 302.506 3.823 20 0 DHADHO C[C@@H](NC1(c2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271987663 1027197041 /nfs/dbraw/zinc/19/70/41/1027197041.db2.gz LDODTYAMZUXAJY-QGZVFWFLSA-N 1 3 324.468 3.967 20 0 DHADHO Cc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422698265 1027297514 /nfs/dbraw/zinc/29/75/14/1027297514.db2.gz YKLVAMGDICPZLF-FPOVZHCZSA-N 1 3 322.452 3.649 20 0 DHADHO CCc1ccc([C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)N(C)C)cc1 ZINC000422734971 1027301845 /nfs/dbraw/zinc/30/18/45/1027301845.db2.gz VFRAYZZBQWXURU-ACRUOGEOSA-N 1 3 323.484 3.586 20 0 DHADHO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)s1 ZINC000422761766 1027315024 /nfs/dbraw/zinc/31/50/24/1027315024.db2.gz MEZGZOQXGGARNX-YPMHNXCESA-N 1 3 303.475 3.500 20 0 DHADHO CC(C)(C)[C@@H]1OCCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422754854 1027316224 /nfs/dbraw/zinc/31/62/24/1027316224.db2.gz GGMZNSWVLAAXHF-NKGKWGDASA-N 1 3 302.462 3.562 20 0 DHADHO Cc1ccccc1O[C@H](C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422784110 1027318271 /nfs/dbraw/zinc/31/82/71/1027318271.db2.gz IBMPHMLPCYKZNN-AKHDSKFASA-N 1 3 316.489 3.663 20 0 DHADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775261 1027320237 /nfs/dbraw/zinc/32/02/37/1027320237.db2.gz AWOCTEVTKJCNFH-USXIJHARSA-N 1 3 321.896 3.558 20 0 DHADHO CCOc1cccc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422780223 1027320346 /nfs/dbraw/zinc/32/03/46/1027320346.db2.gz JXUCTLWYACZWGG-ZIAGYGMSSA-N 1 3 313.445 3.659 20 0 DHADHO COc1ccc(CC[C@H](C)N[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422794772 1027323901 /nfs/dbraw/zinc/32/39/01/1027323901.db2.gz ZJAFASIVBIKHAA-GKCIPKSASA-N 1 3 310.441 3.751 20 0 DHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(C2([NH3+])CC2)cc1 ZINC001170681028 1027324630 /nfs/dbraw/zinc/32/46/30/1027324630.db2.gz CBUWEIGOXOPSDI-AWEZNQCLSA-N 1 3 318.424 3.507 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000422799038 1027325408 /nfs/dbraw/zinc/32/54/08/1027325408.db2.gz UTNCZCDKOKTOIT-QSPRXWTASA-N 1 3 301.478 3.858 20 0 DHADHO c1ccc2c(c1)CCS[C@@H]2CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422839245 1027340123 /nfs/dbraw/zinc/34/01/23/1027340123.db2.gz QCCDPVJELSIGNG-NCXUSEDFSA-N 1 3 316.514 3.527 20 0 DHADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000422870377 1027354557 /nfs/dbraw/zinc/35/45/57/1027354557.db2.gz YRCCWSWWFSNIQS-NHCUHLMSSA-N 1 3 324.468 3.620 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422926071 1027360702 /nfs/dbraw/zinc/36/07/02/1027360702.db2.gz WCZGBGZDSRBYRJ-MUIFIZLQSA-N 1 3 322.880 3.618 20 0 DHADHO c1c2ccccc2oc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422923151 1027363398 /nfs/dbraw/zinc/36/33/98/1027363398.db2.gz RHBTWCXSLFCIAV-GBESFXJTSA-N 1 3 312.457 3.876 20 0 DHADHO COc1ccccc1SC[C@@H](C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422943142 1027368875 /nfs/dbraw/zinc/36/88/75/1027368875.db2.gz KFDSVMQXAUDSBZ-HRCADAONSA-N 1 3 322.518 3.544 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422939235 1027370500 /nfs/dbraw/zinc/37/05/00/1027370500.db2.gz IAJOFHUUFBTPDI-JSGCOSHPSA-N 1 3 301.261 3.643 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H]1NCCSCc1ccc(Cl)cc1Cl ZINC000423019041 1027390576 /nfs/dbraw/zinc/39/05/76/1027390576.db2.gz SYOGHMASEOHHOY-KGLIPLIRSA-N 1 3 319.301 3.696 20 0 DHADHO COc1cccc(C(C)(C)CN[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423006495 1027390904 /nfs/dbraw/zinc/39/09/04/1027390904.db2.gz VMUQPJRBQIZLNO-MOPGFXCFSA-N 1 3 310.441 3.707 20 0 DHADHO C[C@@H]([NH2+]C1CCNCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000423020467 1027394006 /nfs/dbraw/zinc/39/40/06/1027394006.db2.gz BOJACNCSOMAFGY-VXGBXAGGSA-N 1 3 300.368 3.539 20 0 DHADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1F ZINC000423054609 1027405102 /nfs/dbraw/zinc/40/51/02/1027405102.db2.gz VBTKQDMZWDLOSJ-FUNVUKJBSA-N 1 3 310.844 3.629 20 0 DHADHO CC(C)c1ccc(CC2CCN([C@@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000423051532 1027406715 /nfs/dbraw/zinc/40/67/15/1027406715.db2.gz OFRFBROUKDAVMQ-INIZCTEOSA-N 1 3 300.490 3.672 20 0 DHADHO CC(C)c1ccc(CC2CC[NH+]([C@@H](C)C3CNC3)CC2)cc1 ZINC000423051532 1027406723 /nfs/dbraw/zinc/40/67/23/1027406723.db2.gz OFRFBROUKDAVMQ-INIZCTEOSA-N 1 3 300.490 3.672 20 0 DHADHO CC(C)c1ccc(CC2CCN([C@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000423051533 1027407716 /nfs/dbraw/zinc/40/77/16/1027407716.db2.gz OFRFBROUKDAVMQ-MRXNPFEDSA-N 1 3 300.490 3.672 20 0 DHADHO CC(C)c1ccc(CC2CC[NH+]([C@H](C)C3CNC3)CC2)cc1 ZINC000423051533 1027407729 /nfs/dbraw/zinc/40/77/29/1027407729.db2.gz OFRFBROUKDAVMQ-MRXNPFEDSA-N 1 3 300.490 3.672 20 0 DHADHO CCCNc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423080684 1027410186 /nfs/dbraw/zinc/41/01/86/1027410186.db2.gz ZVOMUMDISXSOGH-VAMGGRTRSA-N 1 3 315.505 3.909 20 0 DHADHO COCCC[C@H](Cc1ccccc1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423091086 1027414566 /nfs/dbraw/zinc/41/45/66/1027414566.db2.gz ZFHLZDRDQSXAIV-DUXKGJEZSA-N 1 3 324.468 3.759 20 0 DHADHO Cc1c2cc(Cl)ccc2sc1CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423095995 1027414998 /nfs/dbraw/zinc/41/49/98/1027414998.db2.gz GUTJJVMOIUWNAR-NWDGAFQWSA-N 1 3 308.878 3.951 20 0 DHADHO Cc1c2cc(Cl)ccc2sc1CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423095997 1027415107 /nfs/dbraw/zinc/41/51/07/1027415107.db2.gz GUTJJVMOIUWNAR-VXGBXAGGSA-N 1 3 308.878 3.951 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423098535 1027415453 /nfs/dbraw/zinc/41/54/53/1027415453.db2.gz SCQIUBXCDNWTQZ-XBOHUIDSSA-N 1 3 310.844 3.645 20 0 DHADHO C[C@@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000423075833 1027418026 /nfs/dbraw/zinc/41/80/26/1027418026.db2.gz PLSYPQRHCNTKNM-XDKFSHSGSA-N 1 3 322.880 3.618 20 0 DHADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423100072 1027418231 /nfs/dbraw/zinc/41/82/31/1027418231.db2.gz GDZPKWKHFFTMBD-JQHSSLGASA-N 1 3 322.880 3.525 20 0 DHADHO N[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c2ccccc21 ZINC000423122347 1027420582 /nfs/dbraw/zinc/42/05/82/1027420582.db2.gz KJTZZGWXCZXUMM-XFWGSAIBSA-N 1 3 308.425 3.641 20 0 DHADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000423130768 1027425173 /nfs/dbraw/zinc/42/51/73/1027425173.db2.gz YZOSOWWHDRABIQ-CQDKDKBSSA-N 1 3 320.889 3.937 20 0 DHADHO FC(F)(F)C1(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCC1 ZINC000423113323 1027428732 /nfs/dbraw/zinc/42/87/32/1027428732.db2.gz UCDMUTJQBIIILC-CABCVRRESA-N 1 3 312.379 3.802 20 0 DHADHO FC(F)(F)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCC1 ZINC000423111954 1027429074 /nfs/dbraw/zinc/42/90/74/1027429074.db2.gz RJFJTAYCYLQGFA-HZSPNIEDSA-N 1 3 304.400 3.619 20 0 DHADHO COc1cccc([C@@H]2C[C@H]2CN[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423186261 1027439063 /nfs/dbraw/zinc/43/90/63/1027439063.db2.gz OEOGQSPLXHXYNJ-DILOTOHQSA-N 1 3 308.425 3.533 20 0 DHADHO C[C@H]([NH3+])CCN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423222298 1027462439 /nfs/dbraw/zinc/46/24/39/1027462439.db2.gz ANEUGXUMRLDBLS-SCLBCKFNSA-N 1 3 304.384 3.576 20 0 DHADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(SCC(F)(F)F)cc1 ZINC000423226733 1027465302 /nfs/dbraw/zinc/46/53/02/1027465302.db2.gz RZIOTJHVYDWLRP-WDEREUQCSA-N 1 3 306.397 3.729 20 0 DHADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000423291185 1027486978 /nfs/dbraw/zinc/48/69/78/1027486978.db2.gz HECBZNWWEKDMQT-SCLBCKFNSA-N 1 3 314.404 3.849 20 0 DHADHO CCc1nc(C)c([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000423292428 1027487219 /nfs/dbraw/zinc/48/72/19/1027487219.db2.gz MYJHCFYWGPLKIM-RYUDHWBXSA-N 1 3 303.475 3.884 20 0 DHADHO CCc1nc2c(s1)[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCC2 ZINC000423293206 1027488822 /nfs/dbraw/zinc/48/88/22/1027488822.db2.gz QGTGXSVYSUNFPH-DOMZBBRYSA-N 1 3 315.486 3.892 20 0 DHADHO CC(C)[C@@H](N)C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000423267770 1027489460 /nfs/dbraw/zinc/48/94/60/1027489460.db2.gz FVXQPPQGRGFIEM-GWCFXTLKSA-N 1 3 317.296 3.535 20 0 DHADHO CCc1nc2c(s1)[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCC2 ZINC000423293207 1027490154 /nfs/dbraw/zinc/49/01/54/1027490154.db2.gz QGTGXSVYSUNFPH-IUODEOHRSA-N 1 3 315.486 3.892 20 0 DHADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCN[C@H](C)C2)cc1F ZINC000423366278 1027524080 /nfs/dbraw/zinc/52/40/80/1027524080.db2.gz CJRLDJJKPNIIMW-KBEGMRNHSA-N 1 3 320.452 3.591 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)[C@H](C)N ZINC000423449206 1027546971 /nfs/dbraw/zinc/54/69/71/1027546971.db2.gz RCPUZLWWPNIMLN-MISXGVKJSA-N 1 3 319.449 3.652 20 0 DHADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000423461800 1027555130 /nfs/dbraw/zinc/55/51/30/1027555130.db2.gz KFOICBHWRPWNLP-CABCVRRESA-N 1 3 315.486 3.823 20 0 DHADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423470392 1027558983 /nfs/dbraw/zinc/55/89/83/1027558983.db2.gz PHDYKIFSBXYKCX-RISCZKNCSA-N 1 3 319.449 3.654 20 0 DHADHO Cc1cc(N)cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000423485640 1027572033 /nfs/dbraw/zinc/57/20/33/1027572033.db2.gz VKEQPKKPTSSMRM-UTKZUKDTSA-N 1 3 323.484 3.577 20 0 DHADHO Cc1cc(N)cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000423485640 1027572041 /nfs/dbraw/zinc/57/20/41/1027572041.db2.gz VKEQPKKPTSSMRM-UTKZUKDTSA-N 1 3 323.484 3.577 20 0 DHADHO C[C@H](N[C@H]1CCc2c1cccc2O)c1cccc(C[NH+](C)C)c1 ZINC000924966368 1027637768 /nfs/dbraw/zinc/63/77/68/1027637768.db2.gz DPIIKHHIRYCOLK-LIRRHRJNSA-N 1 3 310.441 3.792 20 0 DHADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1cn2ccccc2n1 ZINC000576887055 1027675886 /nfs/dbraw/zinc/67/58/86/1027675886.db2.gz QNLYQXAYTIUKEF-QGZVFWFLSA-N 1 3 314.477 3.641 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCC2(c3c(F)cccc3F)CCCC2)C1 ZINC000577004921 1027692569 /nfs/dbraw/zinc/69/25/69/1027692569.db2.gz OHJPXKIUZLRFFU-KGLIPLIRSA-N 1 3 308.416 3.636 20 0 DHADHO CCCOc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)c(C)c1 ZINC000577120987 1027711058 /nfs/dbraw/zinc/71/10/58/1027711058.db2.gz MVHITCDZNKYMPM-UHFFFAOYSA-N 1 3 316.489 3.748 20 0 DHADHO CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)C[C@@H]21 ZINC001170716445 1027784697 /nfs/dbraw/zinc/78/46/97/1027784697.db2.gz UEDIMXVRPIRGJB-HQZQWKOLSA-N 1 3 324.512 3.921 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](C)c2cc(F)cc(F)c2)C[C@H]1C ZINC000449031147 1028273399 /nfs/dbraw/zinc/27/33/99/1028273399.db2.gz UMNZYPJTWOGBHQ-LBTNJELSSA-N 1 3 310.432 3.873 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](C)c2cc(F)cc(F)c2)C[C@H]1C ZINC000449031147 1028273415 /nfs/dbraw/zinc/27/34/15/1028273415.db2.gz UMNZYPJTWOGBHQ-LBTNJELSSA-N 1 3 310.432 3.873 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+](Cc2cccc3c(OC)cccc23)C1 ZINC000449038371 1028281607 /nfs/dbraw/zinc/28/16/07/1028281607.db2.gz UDDFESFXOOQKCH-INIZCTEOSA-N 1 3 312.457 3.622 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2cccc3c(OC)cccc23)C1 ZINC000449038371 1028281622 /nfs/dbraw/zinc/28/16/22/1028281622.db2.gz UDDFESFXOOQKCH-INIZCTEOSA-N 1 3 312.457 3.622 20 0 DHADHO COc1cccc2c(CNC3CC[NH+](C(C)C)CC3)cccc12 ZINC000449067761 1028331458 /nfs/dbraw/zinc/33/14/58/1028331458.db2.gz OBEONGHLUCKGJA-UHFFFAOYSA-N 1 3 312.457 3.811 20 0 DHADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000579409118 1028404559 /nfs/dbraw/zinc/40/45/59/1028404559.db2.gz DECVUNARFRYXOY-OAHLLOKOSA-N 1 3 310.844 3.643 20 0 DHADHO Cc1cccc(CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000449232889 1028472665 /nfs/dbraw/zinc/47/26/65/1028472665.db2.gz JOQBGKAGSDUCHD-MJGOQNOKSA-N 1 3 300.490 3.780 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCCc2ccc(OC(F)F)cc2)c2ccccc21 ZINC000564823894 1028506417 /nfs/dbraw/zinc/50/64/17/1028506417.db2.gz NGWWFECOYHIUOC-SJORKVTESA-N 1 3 318.367 3.565 20 0 DHADHO Cc1cccc(CCN(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000449331395 1028543261 /nfs/dbraw/zinc/54/32/61/1028543261.db2.gz OMCBUUXEBDNBSH-UHFFFAOYSA-N 1 3 312.457 3.727 20 0 DHADHO COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc2ccccc21 ZINC000449320509 1028549052 /nfs/dbraw/zinc/54/90/52/1028549052.db2.gz JGLUFDJLQUGTKM-DFNIBXOVSA-N 1 3 324.468 3.905 20 0 DHADHO COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc2ccccc21 ZINC000449320509 1028549063 /nfs/dbraw/zinc/54/90/63/1028549063.db2.gz JGLUFDJLQUGTKM-DFNIBXOVSA-N 1 3 324.468 3.905 20 0 DHADHO COc1cccc2c(CN(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cccc12 ZINC000449322266 1028551922 /nfs/dbraw/zinc/55/19/22/1028551922.db2.gz ORCYLCSBFVEGMX-JWTNVVGKSA-N 1 3 324.468 3.905 20 0 DHADHO COc1cccc2c(CN(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cccc12 ZINC000449322266 1028551936 /nfs/dbraw/zinc/55/19/36/1028551936.db2.gz ORCYLCSBFVEGMX-JWTNVVGKSA-N 1 3 324.468 3.905 20 0 DHADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)c1ccccn1 ZINC000449397362 1028598939 /nfs/dbraw/zinc/59/89/39/1028598939.db2.gz PUPDGNXAWZHYTF-UHFFFAOYSA-N 1 3 315.505 3.746 20 0 DHADHO N[C@@H]1C[C@H]([NH2+]CCc2ccc3ccccc3n2)c2ccccc21 ZINC000565886114 1028647438 /nfs/dbraw/zinc/64/74/38/1028647438.db2.gz JYNWMWQEEDESFJ-QUCCMNQESA-N 1 3 303.409 3.512 20 0 DHADHO CSc1ccccc1C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371686098 1028746506 /nfs/dbraw/zinc/74/65/06/1028746506.db2.gz RBTCIUVOJLLMPR-USXIJHARSA-N 1 3 304.503 3.556 20 0 DHADHO CSc1ccccc1C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371686098 1028746520 /nfs/dbraw/zinc/74/65/20/1028746520.db2.gz RBTCIUVOJLLMPR-USXIJHARSA-N 1 3 304.503 3.556 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@]2(C)CCCS2)C1 ZINC000628156279 1028910336 /nfs/dbraw/zinc/91/03/36/1028910336.db2.gz KDMATFAJHSQQTL-FGTMMUONSA-N 1 3 310.551 3.859 20 0 DHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@]2(C)CCCS2)C1 ZINC000628156279 1028910349 /nfs/dbraw/zinc/91/03/49/1028910349.db2.gz KDMATFAJHSQQTL-FGTMMUONSA-N 1 3 310.551 3.859 20 0 DHADHO Fc1ccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000373840979 1029147874 /nfs/dbraw/zinc/14/78/74/1029147874.db2.gz ICSVSUHULFAIKF-GRAKBVBRSA-N 1 3 322.855 3.942 20 0 DHADHO Fc1ccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000373840979 1029147879 /nfs/dbraw/zinc/14/78/79/1029147879.db2.gz ICSVSUHULFAIKF-GRAKBVBRSA-N 1 3 322.855 3.942 20 0 DHADHO C[NH+]1CCC2(CCCN(CCC(Cl)(Cl)Cl)C2)CC1 ZINC000374074326 1029200173 /nfs/dbraw/zinc/20/01/73/1029200173.db2.gz JVPNVZJQIPDDFZ-UHFFFAOYSA-N 1 3 313.700 3.555 20 0 DHADHO CCC[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@H](O)c1ccccc1 ZINC000817927632 1029280396 /nfs/dbraw/zinc/28/03/96/1029280396.db2.gz NVKHQZDUALKLDK-VNTMZGSJSA-N 1 3 310.441 3.623 20 0 DHADHO [NH3+]CCc1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000817948503 1029290181 /nfs/dbraw/zinc/29/01/81/1029290181.db2.gz ZPTPHRSWLIRIQE-QGZVFWFLSA-N 1 3 316.445 3.654 20 0 DHADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc2ccccc2n1 ZINC000817948400 1029290375 /nfs/dbraw/zinc/29/03/75/1029290375.db2.gz JAVIPUMAJRLCCD-HNNXBMFYSA-N 1 3 305.425 3.587 20 0 DHADHO N[C@H](C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21)C1CC1 ZINC000817965981 1029306362 /nfs/dbraw/zinc/30/63/62/1029306362.db2.gz YIVQARNFOVEHRM-HUUCEWRRSA-N 1 3 312.429 3.706 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(C(C)=O)cc2)CC1 ZINC000450268734 1029315534 /nfs/dbraw/zinc/31/55/34/1029315534.db2.gz ILTXJGZZJLSXSW-UHFFFAOYSA-N 1 3 316.489 3.833 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C(C)=O)cc2)CC1 ZINC000450268734 1029315546 /nfs/dbraw/zinc/31/55/46/1029315546.db2.gz ILTXJGZZJLSXSW-UHFFFAOYSA-N 1 3 316.489 3.833 20 0 DHADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(-c2cccs2)cc1 ZINC000629520302 1029354006 /nfs/dbraw/zinc/35/40/06/1029354006.db2.gz FZDVHMQGFOSCQS-AWEZNQCLSA-N 1 3 316.470 3.574 20 0 DHADHO Cc1ccc(C(C)(C)CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)nc1 ZINC000629525488 1029357557 /nfs/dbraw/zinc/35/75/57/1029357557.db2.gz ZMRVYFQZCLJRHQ-DLBZAZTESA-N 1 3 303.494 3.568 20 0 DHADHO Cc1cncc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000629527928 1029358174 /nfs/dbraw/zinc/35/81/74/1029358174.db2.gz JTKYTMGFBQMFEN-LEWJYISDSA-N 1 3 323.484 3.562 20 0 DHADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2ccccc2c1 ZINC000629551588 1029368982 /nfs/dbraw/zinc/36/89/82/1029368982.db2.gz WEAZQXBWCLUDPQ-YOFSQIOKSA-N 1 3 308.469 3.990 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(SC(F)F)cc1 ZINC000818615419 1029420280 /nfs/dbraw/zinc/42/02/80/1029420280.db2.gz NZPMQENAEUBRMO-ZLKJLUDKSA-N 1 3 300.418 3.922 20 0 DHADHO CCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1 ZINC000924567722 1030124483 /nfs/dbraw/zinc/12/44/83/1030124483.db2.gz QLPFDDUYIZANIL-RAFMOHDBSA-N 1 3 316.489 3.759 20 0 DHADHO CCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccc1 ZINC000924567722 1030124488 /nfs/dbraw/zinc/12/44/88/1030124488.db2.gz QLPFDDUYIZANIL-RAFMOHDBSA-N 1 3 316.489 3.759 20 0 DHADHO CCSc1ccccc1C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000924698200 1030162355 /nfs/dbraw/zinc/16/23/55/1030162355.db2.gz XXUHQRBGVGQMLE-SZMVWBNQSA-N 1 3 318.530 3.946 20 0 DHADHO CCSc1ccccc1C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000924698200 1030162363 /nfs/dbraw/zinc/16/23/63/1030162363.db2.gz XXUHQRBGVGQMLE-SZMVWBNQSA-N 1 3 318.530 3.946 20 0 DHADHO c1ccc(CC[NH+]2CCC(N[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000236737221 1030186888 /nfs/dbraw/zinc/18/68/88/1030186888.db2.gz OKHQQLYCOKILBL-JOCHJYFZSA-N 1 3 320.480 3.971 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@H](c2cccnc2)C(C)C)CC1 ZINC000925233665 1030315473 /nfs/dbraw/zinc/31/54/73/1030315473.db2.gz GUYWPBGVAJMTTG-FQEVSTJZSA-N 1 3 317.521 3.921 20 0 DHADHO CC(C)CCN1CCC([NH2+][C@H](C)C[C@@H](O)c2cccs2)CC1 ZINC000925290804 1030332182 /nfs/dbraw/zinc/33/21/82/1030332182.db2.gz DSQHRISPSUZRAH-NVXWUHKLSA-N 1 3 324.534 3.660 20 0 DHADHO CC(C)CC[NH+]1CCC(N[C@H](C)C[C@@H](O)c2cccs2)CC1 ZINC000925290804 1030332198 /nfs/dbraw/zinc/33/21/98/1030332198.db2.gz DSQHRISPSUZRAH-NVXWUHKLSA-N 1 3 324.534 3.660 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccnc(Cl)c1F ZINC000823653718 1030356733 /nfs/dbraw/zinc/35/67/33/1030356733.db2.gz BSMWNEUOFLXSIA-CYBMUJFWSA-N 1 3 313.848 3.618 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccnc(Cl)c1F ZINC000823653718 1030356745 /nfs/dbraw/zinc/35/67/45/1030356745.db2.gz BSMWNEUOFLXSIA-CYBMUJFWSA-N 1 3 313.848 3.618 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CCSCCC(F)(F)F)CC1 ZINC000866543887 1030365596 /nfs/dbraw/zinc/36/55/96/1030365596.db2.gz ZOSRSVZTDCEMBN-UHFFFAOYSA-N 1 3 312.445 3.525 20 0 DHADHO CC(C)(C)[NH+]1CCC(NCCSCCC(F)(F)F)CC1 ZINC000866543887 1030365603 /nfs/dbraw/zinc/36/56/03/1030365603.db2.gz ZOSRSVZTDCEMBN-UHFFFAOYSA-N 1 3 312.445 3.525 20 0 DHADHO CC[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC000823748000 1030387256 /nfs/dbraw/zinc/38/72/56/1030387256.db2.gz PYUBANRSNQCSBJ-RTBURBONSA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)c1cccnc1 ZINC000925539022 1030393564 /nfs/dbraw/zinc/39/35/64/1030393564.db2.gz XWGMAJXRODYFSC-XUVXKRRUSA-N 1 3 315.505 3.579 20 0 DHADHO Cc1nc(C(C)C)ccc1CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708316 1030427519 /nfs/dbraw/zinc/42/75/19/1030427519.db2.gz MPHYKCQKAZKVNF-IBGZPJMESA-N 1 3 303.494 3.710 20 0 DHADHO Cc1cc(C[N@@H+]2CC[C@](CN)(C(C)(C)C)C2)c2ccccc2n1 ZINC000866707417 1030429050 /nfs/dbraw/zinc/42/90/50/1030429050.db2.gz OCNLYNNRQYRFNL-HXUWFJFHSA-N 1 3 311.473 3.740 20 0 DHADHO Cc1cc(C[N@H+]2CC[C@](CN)(C(C)(C)C)C2)c2ccccc2n1 ZINC000866707417 1030429057 /nfs/dbraw/zinc/42/90/57/1030429057.db2.gz OCNLYNNRQYRFNL-HXUWFJFHSA-N 1 3 311.473 3.740 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCC2(c3ccc(C(F)(F)F)cc3)CC2)C12CCC2 ZINC000925645812 1030432205 /nfs/dbraw/zinc/43/22/05/1030432205.db2.gz TYVCUXLUHOMFPE-CABCVRRESA-N 1 3 324.390 3.597 20 0 DHADHO CCSc1cc(CN[C@H](CCC[NH3+])c2ccccc2)ccn1 ZINC000925647007 1030432624 /nfs/dbraw/zinc/43/26/24/1030432624.db2.gz WQOAPNJVDCJPSY-QGZVFWFLSA-N 1 3 315.486 3.763 20 0 DHADHO [NH3+][C@@H]1C[C@@H](N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C12CCC2 ZINC000925656817 1030443740 /nfs/dbraw/zinc/44/37/40/1030443740.db2.gz PNPJUAFSDHADBF-DTZQCDIJSA-N 1 3 324.390 3.811 20 0 DHADHO FC1(F)CCC[C@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925661926 1030445623 /nfs/dbraw/zinc/44/56/23/1030445623.db2.gz FQPOYGRKEVYNHC-BPUTZDHNSA-N 1 3 300.437 3.570 20 0 DHADHO c1ccc2c(c1)SC[C@@H]2C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925678410 1030450481 /nfs/dbraw/zinc/45/04/81/1030450481.db2.gz DSTIHOKVVGZWJY-SZMVWBNQSA-N 1 3 316.514 3.634 20 0 DHADHO CC(C)([NH3+])CCN[C@@H](c1ccc(Br)s1)C1CC1 ZINC000925737106 1030471955 /nfs/dbraw/zinc/47/19/55/1030471955.db2.gz FEOWPUFKENIBGZ-GFCCVEGCSA-N 1 3 317.296 3.679 20 0 DHADHO FC(F)(F)C1(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CCCC1 ZINC000925716665 1030463457 /nfs/dbraw/zinc/46/34/57/1030463457.db2.gz BPIMBGKRSBJFJK-CABCVRRESA-N 1 3 318.427 3.867 20 0 DHADHO CC1(C)C[C@@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C[C@@H]([NH3+])C1 ZINC000925723903 1030464366 /nfs/dbraw/zinc/46/43/66/1030464366.db2.gz DJXIPPDJLJXSJR-TWMKSMIVSA-N 1 3 322.880 3.666 20 0 DHADHO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925777472 1030492145 /nfs/dbraw/zinc/49/21/45/1030492145.db2.gz DYTGQCAIEWWWAC-PBHICJAKSA-N 1 3 310.432 3.781 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)cc1 ZINC000925778756 1030492505 /nfs/dbraw/zinc/49/25/05/1030492505.db2.gz KUNAJXUCIJFTSH-GXTWGEPZSA-N 1 3 302.796 3.626 20 0 DHADHO C[C@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1ccc2ccccc2c1 ZINC000925795774 1030501439 /nfs/dbraw/zinc/50/14/39/1030501439.db2.gz PVUWGIFHXFQJMO-OXJNMPFZSA-N 1 3 324.468 3.649 20 0 DHADHO CC[C@H](C[C@](C)(O)CC)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000926119491 1030625270 /nfs/dbraw/zinc/62/52/70/1030625270.db2.gz KOGHXNPRBVAEBQ-SFNKJDCFSA-N 1 3 310.526 3.559 20 0 DHADHO Cc1csc([C@@H](C)C[NH2+]C2CCN(CCC(C)C)CC2)n1 ZINC000926150840 1030633047 /nfs/dbraw/zinc/63/30/47/1030633047.db2.gz OCJXXXDEHZWIQE-AWEZNQCLSA-N 1 3 309.523 3.655 20 0 DHADHO Cc1csc([C@@H](C)CNC2CC[NH+](CCC(C)C)CC2)n1 ZINC000926150840 1030633054 /nfs/dbraw/zinc/63/30/54/1030633054.db2.gz OCJXXXDEHZWIQE-AWEZNQCLSA-N 1 3 309.523 3.655 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000247169543 1030679758 /nfs/dbraw/zinc/67/97/58/1030679758.db2.gz YMEWQOSZNPPPBE-WBVHZDCISA-N 1 3 304.503 3.934 20 0 DHADHO CC(C)CC[NH+]1CCC(NC2([C@H]3CCCCO3)CCC2)CC1 ZINC000926812336 1030940935 /nfs/dbraw/zinc/94/09/35/1030940935.db2.gz LXGGKLHVMOAVDL-GOSISDBHSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558968562 1030982141 /nfs/dbraw/zinc/98/21/41/1030982141.db2.gz QRJXXTKDCNDHSA-WDSOQIARSA-N 1 3 300.490 3.890 20 0 DHADHO Cc1ccsc1[C@H](CO)N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925497676 1030983676 /nfs/dbraw/zinc/98/36/76/1030983676.db2.gz YCULDTGTQWLOOF-YOEHRIQHSA-N 1 3 318.486 3.502 20 0 DHADHO C[C@@H]1C[C@@H](N(C)Cc2cccc(N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000261644674 1031044717 /nfs/dbraw/zinc/04/47/17/1031044717.db2.gz GXIUPDDMDSIJIL-UTKZUKDTSA-N 1 3 323.484 3.754 20 0 DHADHO C[C@@H]1C[C@@H](N(C)Cc2cccc(N)c2)CC[N@H+]1Cc1ccccc1 ZINC000261644674 1031044729 /nfs/dbraw/zinc/04/47/29/1031044729.db2.gz GXIUPDDMDSIJIL-UTKZUKDTSA-N 1 3 323.484 3.754 20 0 DHADHO CC(C)O[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000292793049 1031180527 /nfs/dbraw/zinc/18/05/27/1031180527.db2.gz KDZYSZVGPQHRQZ-XNMUZJSGSA-N 1 3 316.489 3.710 20 0 DHADHO CC(C)O[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000292793049 1031180530 /nfs/dbraw/zinc/18/05/30/1031180530.db2.gz KDZYSZVGPQHRQZ-XNMUZJSGSA-N 1 3 316.489 3.710 20 0 DHADHO CCOc1cccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000123651144 1031224268 /nfs/dbraw/zinc/22/42/68/1031224268.db2.gz YLBYGXSWZPVSQU-INIZCTEOSA-N 1 3 312.457 3.998 20 0 DHADHO CN(CCC[NH+](C)C)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171159235 1031455278 /nfs/dbraw/zinc/45/52/78/1031455278.db2.gz WQGCNRGYGDTMQV-CQSZACIVSA-N 1 3 315.288 3.734 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536956962 1031479549 /nfs/dbraw/zinc/47/95/49/1031479549.db2.gz AHQMZFDQEJELMR-BEFAXECRSA-N 1 3 304.453 3.907 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536956962 1031479575 /nfs/dbraw/zinc/47/95/75/1031479575.db2.gz AHQMZFDQEJELMR-BEFAXECRSA-N 1 3 304.453 3.907 20 0 DHADHO [NH3+][C@H](C[C@@H]1CCCN(Cc2cc(C3CC3)no2)C1)C1CCCC1 ZINC000872158623 1031542061 /nfs/dbraw/zinc/54/20/61/1031542061.db2.gz WKIWJFWSVTYXTL-KBXCAEBGSA-N 1 3 317.477 3.672 20 0 DHADHO COc1ccc([C@H](C)N(C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873202586 1031758091 /nfs/dbraw/zinc/75/80/91/1031758091.db2.gz UCIINFDJILDWLA-ZDUSSCGKSA-N 1 3 316.470 3.595 20 0 DHADHO Clc1ccc2c(c1)CC[C@H]2NCc1cc2c(s1)CC[NH2+]C2 ZINC000873212611 1031762302 /nfs/dbraw/zinc/76/23/02/1031762302.db2.gz PRPJLUDCKOBPLP-MRXNPFEDSA-N 1 3 318.873 3.824 20 0 DHADHO CCC(CC)(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000873248079 1031771739 /nfs/dbraw/zinc/77/17/39/1031771739.db2.gz ZFJOIMBKVUMOMQ-MELADBBJSA-N 1 3 306.416 3.865 20 0 DHADHO C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000294138258 1031827703 /nfs/dbraw/zinc/82/77/03/1031827703.db2.gz HGWZPZQUGFDPOB-MRXNPFEDSA-N 1 3 316.489 3.567 20 0 DHADHO C[C@@H](Cc1cccnc1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000897969193 1031900021 /nfs/dbraw/zinc/90/00/21/1031900021.db2.gz GHSDDGKILIUWSB-FUHIMQAGSA-N 1 3 315.505 3.645 20 0 DHADHO CCn1c2ccccc2nc1[C@@H]1CCCN1CCCCCC[NH3+] ZINC000846221187 1031934472 /nfs/dbraw/zinc/93/44/72/1031934472.db2.gz ICTURADJDJDEIL-SFHVURJKSA-N 1 3 314.477 3.712 20 0 DHADHO CC[C@H](NC1CC[NH+](C(C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000772947457 1032037990 /nfs/dbraw/zinc/03/79/90/1032037990.db2.gz APQIKNZLJWNIBH-IBGZPJMESA-N 1 3 316.489 3.925 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(OCc2ccccc2)cc1 ZINC000105480757 1032042772 /nfs/dbraw/zinc/04/27/72/1032042772.db2.gz WYAQRLULVYIUKC-UWJYYQICSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(OCc2ccccc2)cc1 ZINC000105480757 1032042784 /nfs/dbraw/zinc/04/27/84/1032042784.db2.gz WYAQRLULVYIUKC-UWJYYQICSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000044534495 1032056516 /nfs/dbraw/zinc/05/65/16/1032056516.db2.gz PYLNMGGJYFWOIC-STQMWFEESA-N 1 3 300.368 3.698 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000044534495 1032056532 /nfs/dbraw/zinc/05/65/32/1032056532.db2.gz PYLNMGGJYFWOIC-STQMWFEESA-N 1 3 300.368 3.698 20 0 DHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)C1CC(C)(C)OC(C)(C)C1 ZINC001172651792 1033304305 /nfs/dbraw/zinc/30/43/05/1033304305.db2.gz IALOOAVPSVINTR-INIZCTEOSA-N 1 3 318.505 3.820 20 0 DHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1CC(C)(C)OC(C)(C)C1 ZINC001172651792 1033304323 /nfs/dbraw/zinc/30/43/23/1033304323.db2.gz IALOOAVPSVINTR-INIZCTEOSA-N 1 3 318.505 3.820 20 0 DHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1CC(C)(C)OC(C)(C)C1 ZINC001172651793 1033305188 /nfs/dbraw/zinc/30/51/88/1033305188.db2.gz IALOOAVPSVINTR-MRXNPFEDSA-N 1 3 318.505 3.820 20 0 DHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1CC(C)(C)OC(C)(C)C1 ZINC001172651793 1033305193 /nfs/dbraw/zinc/30/51/93/1033305193.db2.gz IALOOAVPSVINTR-MRXNPFEDSA-N 1 3 318.505 3.820 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc(OC(C)(C)C)c1)C2 ZINC000877517481 1033331205 /nfs/dbraw/zinc/33/12/05/1033331205.db2.gz NAOQCKNHTGGPKE-JWTNVVGKSA-N 1 3 316.489 3.921 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc(OC(C)(C)C)c1)C2 ZINC000877517481 1033331214 /nfs/dbraw/zinc/33/12/14/1033331214.db2.gz NAOQCKNHTGGPKE-JWTNVVGKSA-N 1 3 316.489 3.921 20 0 DHADHO C[NH+]1CCC2(CCN(Cc3cnc(C4CCC4)s3)CC2)CC1 ZINC000877684353 1033410076 /nfs/dbraw/zinc/41/00/76/1033410076.db2.gz NDYBCECJYNRLEK-UHFFFAOYSA-N 1 3 319.518 3.718 20 0 DHADHO c1ccc(-c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)nc1 ZINC001168360875 1033485425 /nfs/dbraw/zinc/48/54/25/1033485425.db2.gz XAGFHQPZDLEKEN-UHFFFAOYSA-N 1 3 321.468 3.713 20 0 DHADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000152486591 1033525030 /nfs/dbraw/zinc/52/50/30/1033525030.db2.gz MQZKXTOAFKUZGN-SJORKVTESA-N 1 3 321.468 3.884 20 0 DHADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000152486591 1033525044 /nfs/dbraw/zinc/52/50/44/1033525044.db2.gz MQZKXTOAFKUZGN-SJORKVTESA-N 1 3 321.468 3.884 20 0 DHADHO CCC[N@H+](CCCN)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173084545 1033537911 /nfs/dbraw/zinc/53/79/11/1033537911.db2.gz ZYMGWPRLJSBJOJ-CYBMUJFWSA-N 1 3 318.383 3.577 20 0 DHADHO CCC[N@@H+](CCCN)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173084545 1033537920 /nfs/dbraw/zinc/53/79/20/1033537920.db2.gz ZYMGWPRLJSBJOJ-CYBMUJFWSA-N 1 3 318.383 3.577 20 0 DHADHO CC[NH+](CC)C1CCC(NCc2c(F)cc(F)cc2F)CC1 ZINC001173103761 1033540297 /nfs/dbraw/zinc/54/02/97/1033540297.db2.gz RGJNJIUEQDEREU-UHFFFAOYSA-N 1 3 314.395 3.847 20 0 DHADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173198968 1033590760 /nfs/dbraw/zinc/59/07/60/1033590760.db2.gz NFFWYLAJNXKXKG-NNVNDSJASA-N 1 3 316.489 3.839 20 0 DHADHO C[C@H](CN)C[N@H+](C)[C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173553578 1033768005 /nfs/dbraw/zinc/76/80/05/1033768005.db2.gz ZVGZILRUQQLIFJ-NEPJUHHUSA-N 1 3 303.277 3.841 20 0 DHADHO C[C@H](CN)C[N@@H+](C)[C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173553578 1033768019 /nfs/dbraw/zinc/76/80/19/1033768019.db2.gz ZVGZILRUQQLIFJ-NEPJUHHUSA-N 1 3 303.277 3.841 20 0 DHADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(OC(F)(F)F)c1 ZINC000479859838 1033923163 /nfs/dbraw/zinc/92/31/63/1033923163.db2.gz CWESSWRJYXEQPE-GFCCVEGCSA-N 1 3 318.383 3.824 20 0 DHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(OC)c2)c1 ZINC000177298125 1034149822 /nfs/dbraw/zinc/14/98/22/1034149822.db2.gz ZUUDJBOTBCZWSS-INIZCTEOSA-N 1 3 312.457 3.998 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(OC)c2)c1 ZINC000177298125 1034149830 /nfs/dbraw/zinc/14/98/30/1034149830.db2.gz ZUUDJBOTBCZWSS-INIZCTEOSA-N 1 3 312.457 3.998 20 0 DHADHO c1ccc(CCCCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000480558809 1034315850 /nfs/dbraw/zinc/31/58/50/1034315850.db2.gz SUYOXROPGQPRCA-FQEVSTJZSA-N 1 3 300.490 3.960 20 0 DHADHO C[NH+](C)Cc1cccc(NC2=CCCN(Cc3ccccc3)C2)c1 ZINC001174396616 1034322050 /nfs/dbraw/zinc/32/20/50/1034322050.db2.gz KEDMFNNLFGBTHG-UHFFFAOYSA-N 1 3 321.468 3.950 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)C1 ZINC000481026883 1034559863 /nfs/dbraw/zinc/55/98/63/1034559863.db2.gz USUDYNHQRXQPLR-UXHICEINSA-N 1 3 302.506 3.884 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)C1 ZINC000481055976 1034570672 /nfs/dbraw/zinc/57/06/72/1034570672.db2.gz UWYYAJQTNVDPHF-PKOBYXMFSA-N 1 3 306.469 3.714 20 0 DHADHO CC[N@H+](C)C[C@H]1CCN(CCCCCOc2ccccc2)C1 ZINC000187399182 1034706500 /nfs/dbraw/zinc/70/65/00/1034706500.db2.gz VGZHXSYWROVSHU-GOSISDBHSA-N 1 3 304.478 3.509 20 0 DHADHO CC[N@@H+](C)C[C@H]1CCN(CCCCCOc2ccccc2)C1 ZINC000187399182 1034706511 /nfs/dbraw/zinc/70/65/11/1034706511.db2.gz VGZHXSYWROVSHU-GOSISDBHSA-N 1 3 304.478 3.509 20 0 DHADHO CCN(C)C[C@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000187399182 1034706527 /nfs/dbraw/zinc/70/65/27/1034706527.db2.gz VGZHXSYWROVSHU-GOSISDBHSA-N 1 3 304.478 3.509 20 0 DHADHO CCN(C)C[C@H]1CC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000187399182 1034706547 /nfs/dbraw/zinc/70/65/47/1034706547.db2.gz VGZHXSYWROVSHU-GOSISDBHSA-N 1 3 304.478 3.509 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2)C1 ZINC000481346642 1034771996 /nfs/dbraw/zinc/77/19/96/1034771996.db2.gz ZRNLUTNFICTNKH-NEPJUHHUSA-N 1 3 301.261 3.986 20 0 DHADHO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1cc2c(s1)CCC2 ZINC000481434646 1034833392 /nfs/dbraw/zinc/83/33/92/1034833392.db2.gz LMWBPEHTHJTUHM-ZDUSSCGKSA-N 1 3 304.503 3.904 20 0 DHADHO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H](C)CCN(C)C)c1 ZINC000481963496 1035040594 /nfs/dbraw/zinc/04/05/94/1035040594.db2.gz RAQMBSXHJYPIJR-STQMWFEESA-N 1 3 300.393 3.587 20 0 DHADHO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H](C)CCN(C)C)c1 ZINC000481963493 1035041709 /nfs/dbraw/zinc/04/17/09/1035041709.db2.gz RAQMBSXHJYPIJR-CHWSQXEVSA-N 1 3 300.393 3.587 20 0 DHADHO CC(C)CSCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000158588563 1035100784 /nfs/dbraw/zinc/10/07/84/1035100784.db2.gz BNMHUOMQYROQBO-AEFFLSMTSA-N 1 3 310.551 3.714 20 0 DHADHO CC(C)CSCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000158588563 1035100786 /nfs/dbraw/zinc/10/07/86/1035100786.db2.gz BNMHUOMQYROQBO-AEFFLSMTSA-N 1 3 310.551 3.714 20 0 DHADHO CCOc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924783071 1035218449 /nfs/dbraw/zinc/21/84/49/1035218449.db2.gz DHQMZCJNFCMENI-MRXNPFEDSA-N 1 3 312.457 3.998 20 0 DHADHO Cc1cc(Nc2ccc(OCC[NH+](C)C)cc2)c2ccccc2n1 ZINC001176222782 1035226176 /nfs/dbraw/zinc/22/61/76/1035226176.db2.gz PVSPHHLOVVECOP-UHFFFAOYSA-N 1 3 321.424 3.649 20 0 DHADHO CCc1ccc(CC[NH+]2CCC(CC)(N3CCC3)CC2)cc1 ZINC001176234624 1035229271 /nfs/dbraw/zinc/22/92/71/1035229271.db2.gz GKDOUYVHIDQTGI-UHFFFAOYSA-N 1 3 300.490 3.742 20 0 DHADHO C[C@]1(c2ccc(F)cc2)CC[N@H+](CCCN2CCCCC2)C1 ZINC000483425719 1035268772 /nfs/dbraw/zinc/26/87/72/1035268772.db2.gz ZECZGEJBTMBXBO-IBGZPJMESA-N 1 3 304.453 3.665 20 0 DHADHO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CCCN2CCCCC2)C1 ZINC000483425719 1035268776 /nfs/dbraw/zinc/26/87/76/1035268776.db2.gz ZECZGEJBTMBXBO-IBGZPJMESA-N 1 3 304.453 3.665 20 0 DHADHO C[C@]1(C[NH3+])CCCN(Cc2c(Cl)cccc2Cl)CC1 ZINC001206296898 1035356977 /nfs/dbraw/zinc/35/69/77/1035356977.db2.gz VHVDKHSIAJOAGG-HNNXBMFYSA-N 1 3 301.261 3.944 20 0 DHADHO Cc1cc(CNCc2cccc(C[NH+](C)C)c2)cc2cccnc12 ZINC001177231457 1035357885 /nfs/dbraw/zinc/35/78/85/1035357885.db2.gz QZGOLDAUCPDLMZ-UHFFFAOYSA-N 1 3 319.452 3.895 20 0 DHADHO C[C@]1(C[NH3+])CCCN(Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001206304226 1035372828 /nfs/dbraw/zinc/37/28/28/1035372828.db2.gz HUPVLQAHGUNHIT-HNNXBMFYSA-N 1 3 318.358 3.795 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1F ZINC000195136490 1035415420 /nfs/dbraw/zinc/41/54/20/1035415420.db2.gz KMXUWZMCENHLDT-WMZOPIPTSA-N 1 3 312.432 3.998 20 0 DHADHO Cc1c(C)c(C)c(CN2CCCC[C@@](F)(C[NH3+])C2)c(C)c1C ZINC001206361089 1035460479 /nfs/dbraw/zinc/46/04/79/1035460479.db2.gz FZDRIQANBPVQLO-LJQANCHMSA-N 1 3 306.469 3.882 20 0 DHADHO CC[C@@H]1CCC[C@@H](CN[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC001179636387 1035489194 /nfs/dbraw/zinc/48/91/94/1035489194.db2.gz DTWPQFDLMWOLDJ-ZHALLVOQSA-N 1 3 303.494 3.880 20 0 DHADHO COC1(C[NH2+]C2CCN(CC3CCCCC3)CC2)CCCCC1 ZINC000775562381 1035559564 /nfs/dbraw/zinc/55/95/64/1035559564.db2.gz IWPUZRXWRPKNNY-UHFFFAOYSA-N 1 3 322.537 3.970 20 0 DHADHO COC1(CNC2CC[NH+](CC3CCCCC3)CC2)CCCCC1 ZINC000775562381 1035559571 /nfs/dbraw/zinc/55/95/71/1035559571.db2.gz IWPUZRXWRPKNNY-UHFFFAOYSA-N 1 3 322.537 3.970 20 0 DHADHO c1cc(-c2cnc([C@@H]3CCCN3)nc2)ccc1C[NH+]1CCCCC1 ZINC000906154041 1035779957 /nfs/dbraw/zinc/77/99/57/1035779957.db2.gz ZVMOQDNGQSBHON-IBGZPJMESA-N 1 3 322.456 3.554 20 0 DHADHO C[C@H]1CCC[N@@H+]1Cc1cccc(-c2cnc([C@@H]3CCCN3)nc2)c1 ZINC000906157630 1035780424 /nfs/dbraw/zinc/78/04/24/1035780424.db2.gz FYQMGNRAXIEKNN-KXBFYZLASA-N 1 3 322.456 3.552 20 0 DHADHO C[C@H]1CCC[N@H+]1Cc1cccc(-c2cnc([C@@H]3CCCN3)nc2)c1 ZINC000906157630 1035780432 /nfs/dbraw/zinc/78/04/32/1035780432.db2.gz FYQMGNRAXIEKNN-KXBFYZLASA-N 1 3 322.456 3.552 20 0 DHADHO C[C@H]1CCC[N@@H+]1Cc1cccc(-c2cnc([C@H]3CCCN3)nc2)c1 ZINC000906157628 1035781312 /nfs/dbraw/zinc/78/13/12/1035781312.db2.gz FYQMGNRAXIEKNN-HNAYVOBHSA-N 1 3 322.456 3.552 20 0 DHADHO C[C@H]1CCC[N@H+]1Cc1cccc(-c2cnc([C@H]3CCCN3)nc2)c1 ZINC000906157628 1035781328 /nfs/dbraw/zinc/78/13/28/1035781328.db2.gz FYQMGNRAXIEKNN-HNAYVOBHSA-N 1 3 322.456 3.552 20 0 DHADHO C[C@@H](Cc1cccc(F)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001168467700 1035805809 /nfs/dbraw/zinc/80/58/09/1035805809.db2.gz JTQIDGMOBNADOX-KXBFYZLASA-N 1 3 304.453 3.611 20 0 DHADHO C[C@@H](Cc1cccc(F)c1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001168467700 1035805820 /nfs/dbraw/zinc/80/58/20/1035805820.db2.gz JTQIDGMOBNADOX-KXBFYZLASA-N 1 3 304.453 3.611 20 0 DHADHO Cc1cc([C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)ccc1F ZINC000540261983 1036024158 /nfs/dbraw/zinc/02/41/58/1036024158.db2.gz UPIQQPCPEPXDJC-LIRRHRJNSA-N 1 3 302.437 3.659 20 0 DHADHO Cc1cc([C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)ccc1F ZINC000540261983 1036024176 /nfs/dbraw/zinc/02/41/76/1036024176.db2.gz UPIQQPCPEPXDJC-LIRRHRJNSA-N 1 3 302.437 3.659 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CSc3ccccc32)CC1 ZINC001181971504 1036075569 /nfs/dbraw/zinc/07/55/69/1036075569.db2.gz LDZJXBDZIMNLSD-MRXNPFEDSA-N 1 3 318.530 3.976 20 0 DHADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817979513 1036104699 /nfs/dbraw/zinc/10/46/99/1036104699.db2.gz LCJZWISKDIYOAA-SMDDNHRTSA-N 1 3 300.418 3.706 20 0 DHADHO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1(C)C ZINC000540596399 1036107745 /nfs/dbraw/zinc/10/77/45/1036107745.db2.gz UQSSHKUSNHJXKN-RCCFBDPRSA-N 1 3 310.526 3.680 20 0 DHADHO CC(C)C[N@H+](C)CCCN[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001182712492 1036432954 /nfs/dbraw/zinc/43/29/54/1036432954.db2.gz ANSGWRQJUWCCPG-MOPGFXCFSA-N 1 3 318.505 3.800 20 0 DHADHO CC(C)C[N@@H+](C)CCCN[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001182712492 1036432961 /nfs/dbraw/zinc/43/29/61/1036432961.db2.gz ANSGWRQJUWCCPG-MOPGFXCFSA-N 1 3 318.505 3.800 20 0 DHADHO CCC1([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000541908959 1036458079 /nfs/dbraw/zinc/45/80/79/1036458079.db2.gz YCOSPXZXGMVZPS-WMZOPIPTSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000487273882 1036631558 /nfs/dbraw/zinc/63/15/58/1036631558.db2.gz NTKKRMSGQUIRLN-WDSOQIARSA-N 1 3 300.490 3.575 20 0 DHADHO C[C@@H]1C[C@@H](NC/C=C/c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000487304916 1036655204 /nfs/dbraw/zinc/65/52/04/1036655204.db2.gz BCYDOAXNNSYKDX-HGGRVWGASA-N 1 3 321.468 3.738 20 0 DHADHO C[C@@H]1C[C@@H](NC/C=C/c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000487304916 1036655209 /nfs/dbraw/zinc/65/52/09/1036655209.db2.gz BCYDOAXNNSYKDX-HGGRVWGASA-N 1 3 321.468 3.738 20 0 DHADHO C[C@]1([NH3+])CCCN(Cc2ccc3nc(Cl)ccc3c2)CC1 ZINC001205289117 1036735133 /nfs/dbraw/zinc/73/51/33/1036735133.db2.gz SUWMSPWTOABTQH-KRWDZBQOSA-N 1 3 303.837 3.592 20 0 DHADHO C[C@H]1C[N@H+](CCC2CCCCCC2)CCN1c1ccncc1 ZINC001197376853 1036770353 /nfs/dbraw/zinc/77/03/53/1036770353.db2.gz IILZUIGSTUIZFP-KRWDZBQOSA-N 1 3 301.478 3.953 20 0 DHADHO C[C@H]1C[N@@H+](CCC2CCCCCC2)CCN1c1ccncc1 ZINC001197376853 1036770369 /nfs/dbraw/zinc/77/03/69/1036770369.db2.gz IILZUIGSTUIZFP-KRWDZBQOSA-N 1 3 301.478 3.953 20 0 DHADHO C[C@H](C[NH2+]C1CC(c2ccccc2F)C1)CN1CCCCC1 ZINC000237514967 1037013480 /nfs/dbraw/zinc/01/34/80/1037013480.db2.gz KEQCUPNZVCWRQP-KLAILNCOSA-N 1 3 304.453 3.783 20 0 DHADHO CC(C)[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CS1 ZINC000488428734 1037014076 /nfs/dbraw/zinc/01/40/76/1037014076.db2.gz DLBRGXJJEBMTLQ-ROUUACIJSA-N 1 3 310.551 3.761 20 0 DHADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000488428734 1037014091 /nfs/dbraw/zinc/01/40/91/1037014091.db2.gz DLBRGXJJEBMTLQ-ROUUACIJSA-N 1 3 310.551 3.761 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000237505066 1037015410 /nfs/dbraw/zinc/01/54/10/1037015410.db2.gz VHRLFDSMKIPZLM-GTPINHCMSA-N 1 3 304.453 3.926 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCCNC1CC(c2ccccc2F)C1 ZINC000237505066 1037015431 /nfs/dbraw/zinc/01/54/31/1037015431.db2.gz VHRLFDSMKIPZLM-GTPINHCMSA-N 1 3 304.453 3.926 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCCNC1CC(c2ccccc2F)C1 ZINC000237505066 1037015451 /nfs/dbraw/zinc/01/54/51/1037015451.db2.gz VHRLFDSMKIPZLM-GTPINHCMSA-N 1 3 304.453 3.926 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000237504976 1037015921 /nfs/dbraw/zinc/01/59/21/1037015921.db2.gz HCZKCYKMQCLJTC-DMKPSLHHSA-N 1 3 304.453 3.926 20 0 DHADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CS1 ZINC000488587181 1037083970 /nfs/dbraw/zinc/08/39/70/1037083970.db2.gz YAORRBPWPRNPEG-CBZIJGRNSA-N 1 3 310.551 3.759 20 0 DHADHO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309833966 1037184759 /nfs/dbraw/zinc/18/47/59/1037184759.db2.gz HPKRSWWQJOGTIU-VQIMIIECSA-N 1 3 312.432 3.826 20 0 DHADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@H]3CCCSC3)C2)cc1 ZINC000309949318 1037195609 /nfs/dbraw/zinc/19/56/09/1037195609.db2.gz FIAPBCZYMWFPDJ-MOPGFXCFSA-N 1 3 318.530 3.774 20 0 DHADHO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000310003467 1037203184 /nfs/dbraw/zinc/20/31/84/1037203184.db2.gz GINOZPZHPFTDHN-NEWSRXKRSA-N 1 3 318.530 3.630 20 0 DHADHO FC(F)Sc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC001199197050 1037213966 /nfs/dbraw/zinc/21/39/66/1037213966.db2.gz FAPAEYLTZYXVQA-ZDUSSCGKSA-N 1 3 312.429 3.575 20 0 DHADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(C)C ZINC000185234159 1037786161 /nfs/dbraw/zinc/78/61/61/1037786161.db2.gz IVPFZMMQBVQFEZ-MSOLQXFVSA-N 1 3 308.510 3.575 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2CC=CC2)ccc1OC ZINC000775401684 1038360063 /nfs/dbraw/zinc/36/00/63/1038360063.db2.gz RDKCXPKBRBFGFB-OAHLLOKOSA-N 1 3 302.462 3.906 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2(C)CC2)ccc1OC ZINC000775412746 1038384287 /nfs/dbraw/zinc/38/42/87/1038384287.db2.gz PIFMDKBKYKMRGP-HNNXBMFYSA-N 1 3 304.478 3.988 20 0 DHADHO COCC[C@H](c1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001191070942 1038430565 /nfs/dbraw/zinc/43/05/65/1038430565.db2.gz QWCCLBGYBFGHLG-UYAOXDASSA-N 1 3 316.489 3.572 20 0 DHADHO COCC[C@H](c1ccccc1)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001191070942 1038430571 /nfs/dbraw/zinc/43/05/71/1038430571.db2.gz QWCCLBGYBFGHLG-UYAOXDASSA-N 1 3 316.489 3.572 20 0 DHADHO COCC[C@H](c1ccccc1)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001191070942 1038430577 /nfs/dbraw/zinc/43/05/77/1038430577.db2.gz QWCCLBGYBFGHLG-UYAOXDASSA-N 1 3 316.489 3.572 20 0 DHADHO COc1ccccc1[C@@H](C)[N@H+](C)C1CCN(CC2CC2)CC1 ZINC001168387414 1038438069 /nfs/dbraw/zinc/43/80/69/1038438069.db2.gz HSJIJCJRNMRHBR-OAHLLOKOSA-N 1 3 302.462 3.562 20 0 DHADHO COc1ccccc1[C@@H](C)[N@@H+](C)C1CCN(CC2CC2)CC1 ZINC001168387414 1038438075 /nfs/dbraw/zinc/43/80/75/1038438075.db2.gz HSJIJCJRNMRHBR-OAHLLOKOSA-N 1 3 302.462 3.562 20 0 DHADHO c1ccc([C@@H]2CSCC[N@H+]2C2CCN(CC3CC3)CC2)cc1 ZINC001168393195 1038523920 /nfs/dbraw/zinc/52/39/20/1038523920.db2.gz ZEJHSYPBTMUTKQ-IBGZPJMESA-N 1 3 316.514 3.651 20 0 DHADHO c1ccc([C@@H]2CSCC[N@@H+]2C2CCN(CC3CC3)CC2)cc1 ZINC001168393195 1038523923 /nfs/dbraw/zinc/52/39/23/1038523923.db2.gz ZEJHSYPBTMUTKQ-IBGZPJMESA-N 1 3 316.514 3.651 20 0 DHADHO C[NH+](C)[C@@H](CNc1ccnc2ccccc21)c1ccc(F)cc1 ZINC000599532826 1039200599 /nfs/dbraw/zinc/20/05/99/1039200599.db2.gz XDXZLJWCQRXDNO-IBGZPJMESA-N 1 3 309.388 3.511 20 0 DHADHO CC(C)(C)[C@@H](NC[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000592495865 1039214573 /nfs/dbraw/zinc/21/45/73/1039214573.db2.gz SYWVERFSXQEZGS-WFASDCNBSA-N 1 3 314.395 3.992 20 0 DHADHO C[C@@H](NC(C)(C)C[NH2+]Cc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000606913149 1040035366 /nfs/dbraw/zinc/03/53/66/1040035366.db2.gz HXQANTMGXNUMPU-OAHLLOKOSA-N 1 3 322.456 3.782 20 0 DHADHO CCSC1(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000595100610 1040064436 /nfs/dbraw/zinc/06/44/36/1040064436.db2.gz SOULILAZSYYDAE-WBVHZDCISA-N 1 3 310.551 3.905 20 0 DHADHO CCSC1(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000595098487 1040080568 /nfs/dbraw/zinc/08/05/68/1040080568.db2.gz GMQQJIUGVPBQKH-WBVHZDCISA-N 1 3 310.551 3.905 20 0 DHADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCSCc1ccccc1)C2 ZINC000595504575 1040155347 /nfs/dbraw/zinc/15/53/47/1040155347.db2.gz JYKRAXAXMKAWAN-IBGZPJMESA-N 1 3 318.530 3.728 20 0 DHADHO C[N@H+]1CC[C@]2(C1)CCCN(CCCSCc1ccccc1)C2 ZINC000595504575 1040155357 /nfs/dbraw/zinc/15/53/57/1040155357.db2.gz JYKRAXAXMKAWAN-IBGZPJMESA-N 1 3 318.530 3.728 20 0 DHADHO CN(Cc1ccc(CSC(F)F)o1)CC1CC[NH+](C)CC1 ZINC000093089201 193201514 /nfs/dbraw/zinc/20/15/14/193201514.db2.gz UROHDMFWTFWFRI-UHFFFAOYSA-N 1 3 318.433 3.509 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000093944656 193331295 /nfs/dbraw/zinc/33/12/95/193331295.db2.gz KJKKJISZJCSVKO-IRXDYDNUSA-N 1 3 303.494 3.524 20 0 DHADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(Cl)cn1 ZINC000274976408 130278238 /nfs/dbraw/zinc/27/82/38/130278238.db2.gz YPBZWBJCMCXZLU-OAHLLOKOSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCOC2(C)C)C1 ZINC000340183792 131017672 /nfs/dbraw/zinc/01/76/72/131017672.db2.gz FOBLSAYAGNAULC-QFBILLFUSA-N 1 3 316.489 3.576 20 0 DHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CCOC2(C)C)C1 ZINC000340183792 131017674 /nfs/dbraw/zinc/01/76/74/131017674.db2.gz FOBLSAYAGNAULC-QFBILLFUSA-N 1 3 316.489 3.576 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCc1c(F)cccc1Cl)C2 ZINC000285549646 131180361 /nfs/dbraw/zinc/18/03/61/131180361.db2.gz QPKFYLOPWFUCBG-PBWFPOADSA-N 1 3 310.844 3.579 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCc1c(F)cccc1Cl)C2 ZINC000285549646 131180363 /nfs/dbraw/zinc/18/03/63/131180363.db2.gz QPKFYLOPWFUCBG-PBWFPOADSA-N 1 3 310.844 3.579 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000297913833 132039986 /nfs/dbraw/zinc/03/99/86/132039986.db2.gz WSXBRLSSKLJHGD-HOCLYGCPSA-N 1 3 321.896 3.822 20 0 DHADHO c1ccc(C2(C[NH2+]C3CCN(c4ccncc4)CC3)CCC2)cc1 ZINC000298394968 132060809 /nfs/dbraw/zinc/06/08/09/132060809.db2.gz LOWZNDQGOMSUAB-UHFFFAOYSA-N 1 3 321.468 3.762 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H](C)CN1CCCC1 ZINC000570649474 332791077 /nfs/dbraw/zinc/79/10/77/332791077.db2.gz ORMOIEQNVGFGFL-LSDHHAIUSA-N 1 3 310.432 3.607 20 0 DHADHO CCC(O)(CC)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449109361 331780731 /nfs/dbraw/zinc/78/07/31/331780731.db2.gz YKLLRJRPYXOGEK-UHFFFAOYSA-N 1 3 312.542 3.806 20 0 DHADHO CC(C)[NH2+]CCCN[C@H](C)Cc1ccccc1C(F)(F)F ZINC000566088480 331957720 /nfs/dbraw/zinc/95/77/20/331957720.db2.gz TWSHXEDOFZCTPE-CYBMUJFWSA-N 1 3 302.384 3.614 20 0 DHADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558968555 331962265 /nfs/dbraw/zinc/96/22/65/331962265.db2.gz QRJXXTKDCNDHSA-NEWSRXKRSA-N 1 3 300.490 3.890 20 0 DHADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000128090765 332009799 /nfs/dbraw/zinc/00/97/99/332009799.db2.gz ONHJPBZILICINU-BHIYHBOVSA-N 1 3 300.490 3.959 20 0 DHADHO C[C@H](CC(C)(C)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128090765 332009800 /nfs/dbraw/zinc/00/98/00/332009800.db2.gz ONHJPBZILICINU-BHIYHBOVSA-N 1 3 300.490 3.959 20 0 DHADHO C[C@H](CC(C)(C)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128090765 332009801 /nfs/dbraw/zinc/00/98/01/332009801.db2.gz ONHJPBZILICINU-BHIYHBOVSA-N 1 3 300.490 3.959 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000518398058 332025328 /nfs/dbraw/zinc/02/53/28/332025328.db2.gz ZDKQYUMKEVKWMP-CABCVRRESA-N 1 3 312.379 3.597 20 0 DHADHO N[C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000518398058 332025329 /nfs/dbraw/zinc/02/53/29/332025329.db2.gz ZDKQYUMKEVKWMP-CABCVRRESA-N 1 3 312.379 3.597 20 0 DHADHO CCOC1(CNC2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000559892436 332290286 /nfs/dbraw/zinc/29/02/86/332290286.db2.gz KAAIGJTZYNHMCD-UHFFFAOYSA-N 1 3 308.510 3.722 20 0 DHADHO CCOC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCC1 ZINC000559892436 332290287 /nfs/dbraw/zinc/29/02/87/332290287.db2.gz KAAIGJTZYNHMCD-UHFFFAOYSA-N 1 3 308.510 3.722 20 0 DHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000560021362 332302658 /nfs/dbraw/zinc/30/26/58/332302658.db2.gz FTAAZCWWNILVKZ-ZIAGYGMSSA-N 1 3 312.860 3.874 20 0 DHADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccs1 ZINC000049529320 332315182 /nfs/dbraw/zinc/31/51/82/332315182.db2.gz XQLFQBNAHUFEBD-INIZCTEOSA-N 1 3 301.459 3.853 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccc(OCC)c(Cl)c2)CC1 ZINC000560268304 332325804 /nfs/dbraw/zinc/32/58/04/332325804.db2.gz KKFJYABKHQPGNW-UHFFFAOYSA-N 1 3 310.869 3.703 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Sc1ccccc1 ZINC000560525157 332351511 /nfs/dbraw/zinc/35/15/11/332351511.db2.gz XLYDWXYMYXEVNA-SPUZQDLCSA-N 1 3 304.503 3.630 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Sc1ccccc1 ZINC000560525157 332351512 /nfs/dbraw/zinc/35/15/12/332351512.db2.gz XLYDWXYMYXEVNA-SPUZQDLCSA-N 1 3 304.503 3.630 20 0 DHADHO CC(C)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000560530319 332352449 /nfs/dbraw/zinc/35/24/49/332352449.db2.gz XXCRGFTXJNMWFH-ZCNNSNEGSA-N 1 3 316.489 3.684 20 0 DHADHO CC(C)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000560530319 332352450 /nfs/dbraw/zinc/35/24/50/332352450.db2.gz XXCRGFTXJNMWFH-ZCNNSNEGSA-N 1 3 316.489 3.684 20 0 DHADHO CC(C)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000560530319 332352451 /nfs/dbraw/zinc/35/24/51/332352451.db2.gz XXCRGFTXJNMWFH-ZCNNSNEGSA-N 1 3 316.489 3.684 20 0 DHADHO Cc1nc2ccccc2c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1C ZINC000561419158 332449239 /nfs/dbraw/zinc/44/92/39/332449239.db2.gz CJJFHSQEEIYOJS-WMLDXEAASA-N 1 3 309.457 3.915 20 0 DHADHO Cc1nc2ccccc2c(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1C ZINC000561419157 332449245 /nfs/dbraw/zinc/44/92/45/332449245.db2.gz CJJFHSQEEIYOJS-RHSMWYFYSA-N 1 3 309.457 3.915 20 0 DHADHO Clc1ccc(-c2ccc(CNCC[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000569790887 332679808 /nfs/dbraw/zinc/67/98/08/332679808.db2.gz BPVAVNWNQRQJRT-ZDUSSCGKSA-N 1 3 304.821 3.689 20 0 DHADHO CC[C@@H](c1ccc(F)cc1F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000570162257 332719704 /nfs/dbraw/zinc/71/97/04/332719704.db2.gz GQYRDQOUFLYYEM-KDOFPFPSSA-N 1 3 308.416 3.737 20 0 DHADHO C[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000179464498 333025240 /nfs/dbraw/zinc/02/52/40/333025240.db2.gz ALPBOILWPVNYHM-QGZVFWFLSA-N 1 3 309.457 3.644 20 0 DHADHO C[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3Br)CC[N@@H+]1C ZINC000180562511 333029034 /nfs/dbraw/zinc/02/90/34/333029034.db2.gz MALSBNLUMQAZHI-XHBSWPGZSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3Br)CC[N@H+]1C ZINC000180562511 333029035 /nfs/dbraw/zinc/02/90/35/333029035.db2.gz MALSBNLUMQAZHI-XHBSWPGZSA-N 1 3 323.278 3.509 20 0 DHADHO CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000314187389 333092687 /nfs/dbraw/zinc/09/26/87/333092687.db2.gz YCJGTVWPOSCZCS-GJZGRUSLSA-N 1 3 300.446 3.988 20 0 DHADHO C[C@H](c1ccccn1)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000177357982 333127983 /nfs/dbraw/zinc/12/79/83/333127983.db2.gz JCPMWBQINUDCDP-MJGOQNOKSA-N 1 3 309.457 3.597 20 0 DHADHO C[C@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000177357982 333127984 /nfs/dbraw/zinc/12/79/84/333127984.db2.gz JCPMWBQINUDCDP-MJGOQNOKSA-N 1 3 309.457 3.597 20 0 DHADHO [NH3+][C@H]1C[C@H](NCCCCOCc2ccccc2)c2ccccc21 ZINC000390598204 333304490 /nfs/dbraw/zinc/30/44/90/333304490.db2.gz UYVOHSHXCQGMGG-PMACEKPBSA-N 1 3 310.441 3.718 20 0 DHADHO CN(CCC[NH2+][C@H]1CCCC12CCOCC2)C1CCCCC1 ZINC000319620762 333323637 /nfs/dbraw/zinc/32/36/37/333323637.db2.gz LHSPQMRGMZOCTM-SFHVURJKSA-N 1 3 308.510 3.580 20 0 DHADHO CC(C)CN1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000221942335 333382846 /nfs/dbraw/zinc/38/28/46/333382846.db2.gz BXILVKFYOYMASE-KRWDZBQOSA-N 1 3 304.503 3.934 20 0 DHADHO CCSCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000390768840 333391691 /nfs/dbraw/zinc/39/16/91/333391691.db2.gz JWIRHCKXIOOYCO-GBESFXJTSA-N 1 3 318.530 3.630 20 0 DHADHO Cc1cc(C)cc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000390778628 333392163 /nfs/dbraw/zinc/39/21/63/333392163.db2.gz PDTYPZRQSVXYBI-HXUWFJFHSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1cc(C)cc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390778628 333392165 /nfs/dbraw/zinc/39/21/65/333392165.db2.gz PDTYPZRQSVXYBI-HXUWFJFHSA-N 1 3 308.469 3.915 20 0 DHADHO C[C@@H]([NH3+])[C@@H]1CCCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651337 334055017 /nfs/dbraw/zinc/05/50/17/334055017.db2.gz CBBWEHFIXLYFDH-UMVBOHGHSA-N 1 3 314.395 3.868 20 0 DHADHO C[C@@H](N)[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651337 334055018 /nfs/dbraw/zinc/05/50/18/334055018.db2.gz CBBWEHFIXLYFDH-UMVBOHGHSA-N 1 3 314.395 3.868 20 0 DHADHO C[C@@H](N)[C@@H]1CCC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651337 334055020 /nfs/dbraw/zinc/05/50/20/334055020.db2.gz CBBWEHFIXLYFDH-UMVBOHGHSA-N 1 3 314.395 3.868 20 0 DHADHO COc1cc(-c2ccccc2)ccc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000414670469 334064810 /nfs/dbraw/zinc/06/48/10/334064810.db2.gz LBGMXGOTBPHVTH-MRXNPFEDSA-N 1 3 324.468 3.921 20 0 DHADHO C[C@H]1C[C@@H](CN(CCC(F)(F)F)Cc2ccccc2)CC[NH2+]1 ZINC000414741710 334078545 /nfs/dbraw/zinc/07/85/45/334078545.db2.gz FOMOXNNXJFIFMO-HOCLYGCPSA-N 1 3 314.395 3.829 20 0 DHADHO Clc1oc2ccccc2c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414768856 334089398 /nfs/dbraw/zinc/08/93/98/334089398.db2.gz MLCFSXQPOGQWJZ-BETUJISGSA-N 1 3 304.821 3.518 20 0 DHADHO Cc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)cc2cccnc12 ZINC000414804047 334103783 /nfs/dbraw/zinc/10/37/83/334103783.db2.gz DRFQWGXHFCWVAX-HNNXBMFYSA-N 1 3 305.425 3.853 20 0 DHADHO CCCC[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414806320 334104395 /nfs/dbraw/zinc/10/43/95/334104395.db2.gz BIXPZLJNOLLOPL-JKSUJKDBSA-N 1 3 319.493 3.634 20 0 DHADHO Cc1cccc(-c2n[nH]cc2CNCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414808877 334104893 /nfs/dbraw/zinc/10/48/93/334104893.db2.gz LDKPTVCSHOOOCO-HNNXBMFYSA-N 1 3 320.440 3.695 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414827794 334109799 /nfs/dbraw/zinc/10/97/99/334109799.db2.gz YKHPUMIBZVKTFZ-FRRDWIJNSA-N 1 3 315.288 3.902 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414827794 334109800 /nfs/dbraw/zinc/10/98/00/334109800.db2.gz YKHPUMIBZVKTFZ-FRRDWIJNSA-N 1 3 315.288 3.902 20 0 DHADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN(CC(C)C)CC1 ZINC000281369359 334125305 /nfs/dbraw/zinc/12/53/05/334125305.db2.gz WNINZZCVHLDQOQ-SFHVURJKSA-N 1 3 320.452 3.532 20 0 DHADHO C[C@H](NCc1cc(-c2ccccc2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000414853544 334127637 /nfs/dbraw/zinc/12/76/37/334127637.db2.gz KYKGGMKWVIOBCT-GOEBONIOSA-N 1 3 300.471 3.893 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414926156 334187950 /nfs/dbraw/zinc/18/79/50/334187950.db2.gz MQIGCHKCWXQXBC-UTUOFQBUSA-N 1 3 301.261 3.784 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414926156 334187951 /nfs/dbraw/zinc/18/79/51/334187951.db2.gz MQIGCHKCWXQXBC-UTUOFQBUSA-N 1 3 301.261 3.784 20 0 DHADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000414941598 334202574 /nfs/dbraw/zinc/20/25/74/334202574.db2.gz LSJDREOBHLLXAU-BVYCBKJFSA-N 1 3 322.496 3.818 20 0 DHADHO C[C@H]1CNCC[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414946370 334205301 /nfs/dbraw/zinc/20/53/01/334205301.db2.gz TWQSXPMKJLRCMQ-NHYWBVRUSA-N 1 3 301.261 3.514 20 0 DHADHO C[C@H]1C[NH2+]CC[C@@H]1NCCCc1c(Cl)cccc1Cl ZINC000414946370 334205302 /nfs/dbraw/zinc/20/53/02/334205302.db2.gz TWQSXPMKJLRCMQ-NHYWBVRUSA-N 1 3 301.261 3.514 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC[C@H]21 ZINC000187468807 334209630 /nfs/dbraw/zinc/20/96/30/334209630.db2.gz YEBUHHQDCSPDPX-WLRLJWMZSA-N 1 3 312.501 3.913 20 0 DHADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC[C@H]21 ZINC000187468807 334209632 /nfs/dbraw/zinc/20/96/32/334209632.db2.gz YEBUHHQDCSPDPX-WLRLJWMZSA-N 1 3 312.501 3.913 20 0 DHADHO Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCNC[C@H]3C)s2)cc1 ZINC000414964373 334213539 /nfs/dbraw/zinc/21/35/39/334213539.db2.gz VAJBEQALSZHKAX-RHSMWYFYSA-N 1 3 300.471 3.811 20 0 DHADHO CC[C@H]([NH3+])CN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414986570 334228797 /nfs/dbraw/zinc/22/87/97/334228797.db2.gz IZSKANAAYSMGDG-SOUVJXGZSA-N 1 3 300.368 3.668 20 0 DHADHO CC(C)[C@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000415085513 334274102 /nfs/dbraw/zinc/27/41/02/334274102.db2.gz QHXOEKRURJBQRS-QRQLOZEOSA-N 1 3 303.494 3.722 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414992003 334230720 /nfs/dbraw/zinc/23/07/20/334230720.db2.gz BKUYVSOMYPVIJF-IWKCEXAMSA-N 1 3 304.453 3.687 20 0 DHADHO C[C@@H](CC[NH2+][C@H]1CCCNCC1)c1cccc(C(F)(F)F)c1 ZINC000415085487 334274238 /nfs/dbraw/zinc/27/42/38/334274238.db2.gz IHQOCXNHGDTHHI-BBRMVZONSA-N 1 3 314.395 3.931 20 0 DHADHO C[C@@H](CCN[C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415085487 334274240 /nfs/dbraw/zinc/27/42/40/334274240.db2.gz IHQOCXNHGDTHHI-BBRMVZONSA-N 1 3 314.395 3.931 20 0 DHADHO COc1cc(Cl)c(CNC[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414996210 334235267 /nfs/dbraw/zinc/23/52/67/334235267.db2.gz GGYDWLXGYOGUSN-JQWIXIFHSA-N 1 3 317.260 3.609 20 0 DHADHO [NH3+][C@H]1CCC[C@H](CNCc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415002663 334240551 /nfs/dbraw/zinc/24/05/51/334240551.db2.gz WDWPNWVXUCYYRF-GWCFXTLKSA-N 1 3 320.786 3.966 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](CNCc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415002665 334240591 /nfs/dbraw/zinc/24/05/91/334240591.db2.gz WDWPNWVXUCYYRF-MFKMUULPSA-N 1 3 320.786 3.966 20 0 DHADHO Cc1ccc(-c2nc(CNC[C@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000415003436 334241654 /nfs/dbraw/zinc/24/16/54/334241654.db2.gz XDUIFNMXJMIDBO-HOCLYGCPSA-N 1 3 315.486 3.726 20 0 DHADHO c1ccc(C(CC[NH2+][C@H]2CCCNCC2)c2ccccc2)cc1 ZINC000415086207 334275028 /nfs/dbraw/zinc/27/50/28/334275028.db2.gz RQRWDYGDBLEFTN-FQEVSTJZSA-N 1 3 308.469 3.940 20 0 DHADHO c1ccc(C(CCN[C@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000415086207 334275029 /nfs/dbraw/zinc/27/50/29/334275029.db2.gz RQRWDYGDBLEFTN-FQEVSTJZSA-N 1 3 308.469 3.940 20 0 DHADHO COc1c(Cl)cc(Cl)cc1CN[C@@H](C)CCCC[NH3+] ZINC000415011301 334258063 /nfs/dbraw/zinc/25/80/63/334258063.db2.gz HIPUSKARXALJST-JTQLQIEISA-N 1 3 305.249 3.609 20 0 DHADHO c1cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000415041743 334260950 /nfs/dbraw/zinc/26/09/50/334260950.db2.gz LQNRRDRNHHJZIM-RTWAWAEBSA-N 1 3 321.468 3.713 20 0 DHADHO COc1ccc2cc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000415042070 334261075 /nfs/dbraw/zinc/26/10/75/334261075.db2.gz MAFPDDHKBATDTL-TZIWHRDSSA-N 1 3 324.468 3.812 20 0 DHADHO c1ccc(OCCCCCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415059912 334261879 /nfs/dbraw/zinc/26/18/79/334261879.db2.gz XXNWDHGBQROBAT-AZUAARDMSA-N 1 3 316.489 3.700 20 0 DHADHO Cc1cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2cccnc12 ZINC000415058701 334262090 /nfs/dbraw/zinc/26/20/90/334262090.db2.gz WAQSABXFNQTXTA-RTBURBONSA-N 1 3 309.457 3.507 20 0 DHADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1)CCCS2 ZINC000187710274 334269346 /nfs/dbraw/zinc/26/93/46/334269346.db2.gz CKPRGRWXUYQMEB-KRWDZBQOSA-N 1 3 320.502 3.698 20 0 DHADHO CCSc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000534496904 334277961 /nfs/dbraw/zinc/27/79/61/334277961.db2.gz KVMGWOTUFHDFEJ-LSDHHAIUSA-N 1 3 304.503 3.934 20 0 DHADHO CCSc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000534496904 334277962 /nfs/dbraw/zinc/27/79/62/334277962.db2.gz KVMGWOTUFHDFEJ-LSDHHAIUSA-N 1 3 304.503 3.934 20 0 DHADHO C[C@H]([NH2+][C@H]1CCCNCC1)C(c1ccccc1)c1ccccc1 ZINC000415094756 334280639 /nfs/dbraw/zinc/28/06/39/334280639.db2.gz YEQUTIYQINNEDV-PXNSSMCTSA-N 1 3 308.469 3.939 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCCNCC1)C(c1ccccc1)c1ccccc1 ZINC000415094758 334280707 /nfs/dbraw/zinc/28/07/07/334280707.db2.gz YEQUTIYQINNEDV-YLJYHZDGSA-N 1 3 308.469 3.939 20 0 DHADHO CCCC(CCC)[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000415139892 334286919 /nfs/dbraw/zinc/28/69/19/334286919.db2.gz XLWYWGIVGOYUDU-UHFFFAOYSA-N 1 3 317.521 3.538 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+]CCCCCOc2ccccc2)C1 ZINC000187865579 334302275 /nfs/dbraw/zinc/30/22/75/334302275.db2.gz XBEYNCUMMSKOTE-IBGZPJMESA-N 1 3 318.505 3.946 20 0 DHADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c(OC(C)(C)C)c1 ZINC000531979435 334350866 /nfs/dbraw/zinc/35/08/66/334350866.db2.gz LYQXJDATZRRWST-XYJFISCASA-N 1 3 318.505 3.991 20 0 DHADHO CC[NH2+]CC1CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000430578743 334383254 /nfs/dbraw/zinc/38/32/54/334383254.db2.gz XLZYPKBCJAKIKO-UHFFFAOYSA-N 1 3 316.489 3.636 20 0 DHADHO c1ccc(OCCN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000443604794 338456360 /nfs/dbraw/zinc/45/63/60/338456360.db2.gz MJFFEMFBGBZTPL-UHFFFAOYSA-N 1 3 316.489 3.653 20 0 DHADHO Cc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000443961849 338464501 /nfs/dbraw/zinc/46/45/01/338464501.db2.gz FOBZUUVQUPKSPI-HOTGVXAUSA-N 1 3 324.896 3.627 20 0 DHADHO Oc1ccc(C2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000343634757 335183419 /nfs/dbraw/zinc/18/34/19/335183419.db2.gz UKJWGNMRAKPQCG-JDGDGYACSA-N 1 3 314.473 3.635 20 0 DHADHO N[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000519181915 335813282 /nfs/dbraw/zinc/81/32/82/335813282.db2.gz WEJLRYBBIBIJBP-KFWWJZLASA-N 1 3 300.368 3.582 20 0 DHADHO CCC(C)(C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000192352507 336029895 /nfs/dbraw/zinc/02/98/95/336029895.db2.gz FWQHLSNRQKMIHQ-UHFFFAOYSA-N 1 3 317.521 3.743 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000526112968 336165259 /nfs/dbraw/zinc/16/52/59/336165259.db2.gz PMMLLVJOGGSIQV-DLBZAZTESA-N 1 3 306.469 3.887 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](C)c2ccc(F)cc2)C1 ZINC000526112968 336165262 /nfs/dbraw/zinc/16/52/62/336165262.db2.gz PMMLLVJOGGSIQV-DLBZAZTESA-N 1 3 306.469 3.887 20 0 DHADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](C)c2ccc(F)cc2)C1 ZINC000526112968 336165263 /nfs/dbraw/zinc/16/52/63/336165263.db2.gz PMMLLVJOGGSIQV-DLBZAZTESA-N 1 3 306.469 3.887 20 0 DHADHO CC(C)CN1CCC([NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000532451806 336249895 /nfs/dbraw/zinc/24/98/95/336249895.db2.gz QPIJBRIDQLZEKS-KUHUBIRLSA-N 1 3 304.453 3.769 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C1 ZINC000580363608 336260289 /nfs/dbraw/zinc/26/02/89/336260289.db2.gz GFRXXENDZVMQMS-QRVBRYPASA-N 1 3 315.505 3.736 20 0 DHADHO CSc1ccc(CNCc2cccc(C[NH+](C)C)c2)s1 ZINC000352830485 336268475 /nfs/dbraw/zinc/26/84/75/336268475.db2.gz AOKLLCPDRDOKIP-UHFFFAOYSA-N 1 3 306.500 3.821 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCC3(F)CC3)cc2)C1 ZINC000526974753 336277106 /nfs/dbraw/zinc/27/71/06/336277106.db2.gz AQKJJUCJQHJZFD-IYBDPMFKSA-N 1 3 304.453 3.756 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCC3(F)CC3)cc2)C1 ZINC000526974753 336277107 /nfs/dbraw/zinc/27/71/07/336277107.db2.gz AQKJJUCJQHJZFD-IYBDPMFKSA-N 1 3 304.453 3.756 20 0 DHADHO CCOc1ccccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192924299 336284542 /nfs/dbraw/zinc/28/45/42/336284542.db2.gz KWGVKLQUWDMNFK-LJQANCHMSA-N 1 3 324.468 3.697 20 0 DHADHO Cc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)c2ccccc2n1 ZINC000301346409 336301702 /nfs/dbraw/zinc/30/17/02/336301702.db2.gz GYIJQPUGHFLHDU-KRWDZBQOSA-N 1 3 309.457 3.998 20 0 DHADHO CO[C@H](C)[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000482634755 336324253 /nfs/dbraw/zinc/32/42/53/336324253.db2.gz VEDGMHKRPHEVBJ-LSDHHAIUSA-N 1 3 324.896 3.565 20 0 DHADHO Cc1cc(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)cc[nH+]1 ZINC000302545143 336361363 /nfs/dbraw/zinc/36/13/63/336361363.db2.gz GSGIQRZHGXEEMK-WMLDXEAASA-N 1 3 301.459 3.947 20 0 DHADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000320856989 336374413 /nfs/dbraw/zinc/37/44/13/336374413.db2.gz AYCQZSRLJOEVEN-LIRRHRJNSA-N 1 3 309.457 3.619 20 0 DHADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000320856989 336374414 /nfs/dbraw/zinc/37/44/14/336374414.db2.gz AYCQZSRLJOEVEN-LIRRHRJNSA-N 1 3 309.457 3.619 20 0 DHADHO C[C@H](NC1CCC([NH+](C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000353596086 336427612 /nfs/dbraw/zinc/42/76/12/336427612.db2.gz PONPZJSWXZCVOO-WHXUTIOJSA-N 1 3 321.412 3.685 20 0 DHADHO CCOc1ccc(CNCc2ccc(C[NH+](C)C)cc2)cc1F ZINC000358159544 336614100 /nfs/dbraw/zinc/61/41/00/336614100.db2.gz RAUVHUCICSCGTP-UHFFFAOYSA-N 1 3 316.420 3.576 20 0 DHADHO FC(F)(F)CCC[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000372784505 336939492 /nfs/dbraw/zinc/93/94/92/336939492.db2.gz TYDXBPNPKSHDBD-UHFFFAOYSA-N 1 3 306.416 3.963 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(-c2cncnc2)cc1 ZINC000376966908 337044388 /nfs/dbraw/zinc/04/43/88/337044388.db2.gz IVTMSYVOKJXCLB-QGZVFWFLSA-N 1 3 324.472 3.670 20 0 DHADHO Fc1cc(F)cc(C2CC(NC3CC([NH+]4CCCCC4)C3)C2)c1 ZINC000377625645 337056675 /nfs/dbraw/zinc/05/66/75/337056675.db2.gz LLMWQKBNXQQVSR-UHFFFAOYSA-N 1 3 320.427 3.817 20 0 DHADHO C[N@H+]([C@@H]1CCc2ccccc21)C1CCN(c2ccncc2)CC1 ZINC000377690834 337058562 /nfs/dbraw/zinc/05/85/62/337058562.db2.gz GSSSIGWYUYFYDY-HXUWFJFHSA-N 1 3 307.441 3.670 20 0 DHADHO C[N@@H+]([C@@H]1CCc2ccccc21)C1CCN(c2ccncc2)CC1 ZINC000377690834 337058563 /nfs/dbraw/zinc/05/85/63/337058563.db2.gz GSSSIGWYUYFYDY-HXUWFJFHSA-N 1 3 307.441 3.670 20 0 DHADHO CN1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@H]1c1ccccc1 ZINC000377766734 337060437 /nfs/dbraw/zinc/06/04/37/337060437.db2.gz ZUGOYYOBCPVQIW-VQIMIIECSA-N 1 3 316.395 3.747 20 0 DHADHO C[NH+]1CCC([C@H]2CCN(Cc3cnc(C(C)(C)C)s3)C2)CC1 ZINC000377890458 337063469 /nfs/dbraw/zinc/06/34/69/337063469.db2.gz VJSWISJVXNWFRM-HNNXBMFYSA-N 1 3 321.534 3.604 20 0 DHADHO Cc1ccc(CC[C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)o1 ZINC000378184814 337067985 /nfs/dbraw/zinc/06/79/85/337067985.db2.gz PXMQBZDXCTZWPS-HNNXBMFYSA-N 1 3 304.478 3.906 20 0 DHADHO Cc1ccc(CC[C@H](C)NC2CC[NH+](C3CCCC3)CC2)o1 ZINC000378184814 337067986 /nfs/dbraw/zinc/06/79/86/337067986.db2.gz PXMQBZDXCTZWPS-HNNXBMFYSA-N 1 3 304.478 3.906 20 0 DHADHO CC(C)CCn1cccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000174600251 337142721 /nfs/dbraw/zinc/14/27/21/337142721.db2.gz XTUBDRYYCCAEIB-AYHJJNSGSA-N 1 3 303.494 3.639 20 0 DHADHO CC(C)CCn1cccc1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174600251 337142722 /nfs/dbraw/zinc/14/27/22/337142722.db2.gz XTUBDRYYCCAEIB-AYHJJNSGSA-N 1 3 303.494 3.639 20 0 DHADHO CC(C)CCn1cccc1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174600251 337142723 /nfs/dbraw/zinc/14/27/23/337142723.db2.gz XTUBDRYYCCAEIB-AYHJJNSGSA-N 1 3 303.494 3.639 20 0 DHADHO CCc1nc2c(s1)[C@H]([NH2+]CCCN1CCCCC1)CCC2 ZINC000178410275 337164529 /nfs/dbraw/zinc/16/45/29/337164529.db2.gz GZHOSOXGVPDCLM-CQSZACIVSA-N 1 3 307.507 3.549 20 0 DHADHO CC(C)N1CCC([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000180405692 337174133 /nfs/dbraw/zinc/17/41/33/337174133.db2.gz NBFIVQAOFHKDLE-QGZVFWFLSA-N 1 3 320.452 3.890 20 0 DHADHO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000182127933 337186700 /nfs/dbraw/zinc/18/67/00/337186700.db2.gz OCXZLRONOPGAQF-AWEZNQCLSA-N 1 3 317.477 3.559 20 0 DHADHO CCO[C@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C12CCC2 ZINC000183198498 337190388 /nfs/dbraw/zinc/19/03/88/337190388.db2.gz XCTLADPRJCRXPL-NBMJBFSESA-N 1 3 320.521 3.577 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1cccc(OCCN(C)C)c1 ZINC000469807426 337193841 /nfs/dbraw/zinc/19/38/41/337193841.db2.gz HWTPTDJLMHBUOW-JKSUJKDBSA-N 1 3 304.478 3.856 20 0 DHADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccccc2F)s1 ZINC000469866144 337196097 /nfs/dbraw/zinc/19/60/97/337196097.db2.gz XKYKBGCMMLNZOO-OLZOCXBDSA-N 1 3 304.434 3.723 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cccc(OCc2ccccc2)c1 ZINC000394992665 337201730 /nfs/dbraw/zinc/20/17/30/337201730.db2.gz GHHOXVVHBCHMQC-LAUBAEHRSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(OCc2ccccc2)c1 ZINC000394992665 337201731 /nfs/dbraw/zinc/20/17/31/337201731.db2.gz GHHOXVVHBCHMQC-LAUBAEHRSA-N 1 3 324.468 3.695 20 0 DHADHO COc1cccc2c(CNC[C@H]3CC[N@@H+](C(C)C)C3)cccc12 ZINC000582945303 337220743 /nfs/dbraw/zinc/22/07/43/337220743.db2.gz GHHKWUYETCXFPX-MRXNPFEDSA-N 1 3 312.457 3.668 20 0 DHADHO COc1cccc2c(CNC[C@H]3CC[N@H+](C(C)C)C3)cccc12 ZINC000582945303 337220744 /nfs/dbraw/zinc/22/07/44/337220744.db2.gz GHHKWUYETCXFPX-MRXNPFEDSA-N 1 3 312.457 3.668 20 0 DHADHO COc1cccc2c(C[NH2+]C[C@H]3CCN(C(C)C)C3)cccc12 ZINC000582945303 337220745 /nfs/dbraw/zinc/22/07/45/337220745.db2.gz GHHKWUYETCXFPX-MRXNPFEDSA-N 1 3 312.457 3.668 20 0 DHADHO Cc1c[nH+]ccc1NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000192622575 337305957 /nfs/dbraw/zinc/30/59/57/337305957.db2.gz HTVZQVRQRLUYFE-PBHICJAKSA-N 1 3 301.459 3.947 20 0 DHADHO CC[NH+]1CCC(CN[C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000584403623 337319780 /nfs/dbraw/zinc/31/97/80/337319780.db2.gz CRXHNPRZUCGWHQ-QGZVFWFLSA-N 1 3 322.880 3.875 20 0 DHADHO Fc1ccc([C@H](CC(F)(F)F)NCCC2CC[NH2+]CC2)cc1 ZINC000420374095 337500258 /nfs/dbraw/zinc/50/02/58/337500258.db2.gz NCZBDCZAXULJRW-HNNXBMFYSA-N 1 3 318.358 3.799 20 0 DHADHO C[C@@H]1Cc2ccccc2[C@@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000162555388 337636283 /nfs/dbraw/zinc/63/62/83/337636283.db2.gz WRMMEKXUYVRPRD-IIBYNOLFSA-N 1 3 324.468 3.650 20 0 DHADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(Br)cc1 ZINC000574989855 337669368 /nfs/dbraw/zinc/66/93/68/337669368.db2.gz XFPSUAVDBCUFMN-GFCCVEGCSA-N 1 3 319.246 3.759 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422702211 337683560 /nfs/dbraw/zinc/68/35/60/337683560.db2.gz DMNYOXLCJJVUCN-CYBMUJFWSA-N 1 3 315.436 3.616 20 0 DHADHO Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C1CC1 ZINC000422712380 337683733 /nfs/dbraw/zinc/68/37/33/337683733.db2.gz NXVJDAKOIATQAE-FOIQADDNSA-N 1 3 309.457 3.959 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000422729272 337684310 /nfs/dbraw/zinc/68/43/10/337684310.db2.gz KGMWGCNQGABICU-VGDUNAEUSA-N 1 3 303.494 3.960 20 0 DHADHO Cc1ccc(O[C@H](C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422795369 337687003 /nfs/dbraw/zinc/68/70/03/337687003.db2.gz VJRRFNJOBQLXFA-RSPOEFSDSA-N 1 3 316.489 3.663 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000422801700 337687375 /nfs/dbraw/zinc/68/73/75/337687375.db2.gz AEVZKHDIEGHWTE-FOIQADDNSA-N 1 3 311.473 3.939 20 0 DHADHO CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422807202 337687455 /nfs/dbraw/zinc/68/74/55/337687455.db2.gz JICHQVUOPJBFGU-FUMNGEBKSA-N 1 3 300.490 3.937 20 0 DHADHO CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)C1CCCC1 ZINC000422817358 337687950 /nfs/dbraw/zinc/68/79/50/337687950.db2.gz CXTMBNOWINAARP-VNTMZGSJSA-N 1 3 322.537 3.872 20 0 DHADHO COc1ccc(-c2csc(CN[C@@H](C)C[C@@H](C)[NH3+])c2)cc1 ZINC000422825051 337688285 /nfs/dbraw/zinc/68/82/85/337688285.db2.gz PBDVVWWYYASXNT-OLZOCXBDSA-N 1 3 304.459 3.639 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825572 337688301 /nfs/dbraw/zinc/68/83/01/337688301.db2.gz JSMRSDRRUZDGAF-OAUYIBNBSA-N 1 3 324.415 3.643 20 0 DHADHO c1ccc(SC2(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422909701 337690895 /nfs/dbraw/zinc/69/08/95/337690895.db2.gz OTQXKNMFYVWNBA-OKZBNKHCSA-N 1 3 316.514 3.822 20 0 DHADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422910727 337690927 /nfs/dbraw/zinc/69/09/27/337690927.db2.gz RPDUXKGLDFPKOE-RHSMWYFYSA-N 1 3 306.881 3.739 20 0 DHADHO c1ccc(CC2(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422926453 337691784 /nfs/dbraw/zinc/69/17/84/337691784.db2.gz DAHMXTDKNYLYPT-XUVXKRRUSA-N 1 3 312.501 3.910 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423022236 337695989 /nfs/dbraw/zinc/69/59/89/337695989.db2.gz HEZDOZPRUFEIQY-BLLLJJGKSA-N 1 3 310.844 3.618 20 0 DHADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cc(Br)cs1 ZINC000423278379 337709064 /nfs/dbraw/zinc/70/90/64/337709064.db2.gz PSHPWSUCKNYYHN-NHCYSSNCSA-N 1 3 317.296 3.679 20 0 DHADHO c1cncc(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)c1 ZINC000423044861 337697001 /nfs/dbraw/zinc/69/70/01/337697001.db2.gz BXVJFESAPKGNGX-QHAWAJNXSA-N 1 3 321.468 3.759 20 0 DHADHO COCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCCCC1 ZINC000423060597 337697699 /nfs/dbraw/zinc/69/76/99/337697699.db2.gz IOJILOHQYQZIRI-GUDVDZBRSA-N 1 3 322.537 3.874 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000423074360 337698239 /nfs/dbraw/zinc/69/82/39/337698239.db2.gz LITGTJRARWVUEU-WDEREUQCSA-N 1 3 303.372 3.620 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000423074359 337698357 /nfs/dbraw/zinc/69/83/57/337698357.db2.gz LITGTJRARWVUEU-QWRGUYRKSA-N 1 3 303.372 3.620 20 0 DHADHO CCO[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423079772 337698641 /nfs/dbraw/zinc/69/86/41/337698641.db2.gz AVCIHBMBUOPNEN-UAFMIMERSA-N 1 3 316.489 3.665 20 0 DHADHO NC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423092024 337698891 /nfs/dbraw/zinc/69/88/91/337698891.db2.gz AEJMDKUXWLGSPA-XOUADPBQSA-N 1 3 312.379 3.668 20 0 DHADHO Fc1ccccc1[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423092133 337698971 /nfs/dbraw/zinc/69/89/71/337698971.db2.gz ARRDMUDZFPJTAI-FXRFXEHHSA-N 1 3 316.464 3.972 20 0 DHADHO FC(F)(F)c1cccc([C@H]2C[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423097702 337699289 /nfs/dbraw/zinc/69/92/89/337699289.db2.gz REBOYYIEKGPXAW-ABWAJUOPSA-N 1 3 324.390 3.824 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423128583 337700830 /nfs/dbraw/zinc/70/08/30/337700830.db2.gz LDJBAYXZZRCTIM-VBKZILBWSA-N 1 3 309.457 3.693 20 0 DHADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000423263615 337707969 /nfs/dbraw/zinc/70/79/69/337707969.db2.gz BEMZEISXKCRWQH-GARJFASQSA-N 1 3 317.296 3.679 20 0 DHADHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000423295949 337710746 /nfs/dbraw/zinc/71/07/46/337710746.db2.gz FXZHFDGTOPZVDZ-UHOFOFEASA-N 1 3 314.395 3.916 20 0 DHADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423310008 337711360 /nfs/dbraw/zinc/71/13/60/337711360.db2.gz RAXXZBPUNPEVHU-UGFHNGPFSA-N 1 3 300.368 3.526 20 0 DHADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(SCC(F)F)cc1 ZINC000423339478 337712875 /nfs/dbraw/zinc/71/28/75/337712875.db2.gz IUBCZBWCBHYGKH-GFCCVEGCSA-N 1 3 312.429 3.614 20 0 DHADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(OC(F)F)cc1 ZINC000423353391 337713767 /nfs/dbraw/zinc/71/37/67/337713767.db2.gz DADOKURXYUBQQW-GFCCVEGCSA-N 1 3 318.367 3.742 20 0 DHADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C12CCCCC2 ZINC000423405697 337715908 /nfs/dbraw/zinc/71/59/08/337715908.db2.gz YIFNAVSYEUONAT-MOPGFXCFSA-N 1 3 314.473 3.507 20 0 DHADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423405837 337715921 /nfs/dbraw/zinc/71/59/21/337715921.db2.gz UBLZCEGIYITBAK-WOSRLPQWSA-N 1 3 314.395 3.614 20 0 DHADHO CC(C)Oc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423407325 337716134 /nfs/dbraw/zinc/71/61/34/337716134.db2.gz ZVIWFXHGPQIXNR-HNNXBMFYSA-N 1 3 310.441 3.928 20 0 DHADHO c1ccc([C@@H](C[C@@H]2CCOC2)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423390556 337718303 /nfs/dbraw/zinc/71/83/03/337718303.db2.gz OYCQLZQFSKQXDE-LAUBAEHRSA-N 1 3 322.452 3.547 20 0 DHADHO C[C@H]1C[C@@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccsc2S1 ZINC000423440785 337719246 /nfs/dbraw/zinc/71/92/46/337719246.db2.gz OUFWDMSLYNQBRB-BSLXNSKLSA-N 1 3 308.516 3.651 20 0 DHADHO CC(C)[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423452604 337720061 /nfs/dbraw/zinc/72/00/61/337720061.db2.gz ZHIMZJCNWVBYIN-BMGDILEWSA-N 1 3 308.416 3.640 20 0 DHADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1csc(-c2ccccc2)n1 ZINC000423476198 337721620 /nfs/dbraw/zinc/72/16/20/337721620.db2.gz IPINLEAXKPTKRD-GOEBONIOSA-N 1 3 315.486 3.993 20 0 DHADHO COc1ccc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1F ZINC000423496710 337722928 /nfs/dbraw/zinc/72/29/28/337722928.db2.gz FKMVASILHVIABV-RDTXWAMCSA-N 1 3 316.420 3.965 20 0 DHADHO COc1ccc2c(c1)[C@H](N[C@H](CCC[NH3+])c1ccccc1)CC2 ZINC000423495819 337722970 /nfs/dbraw/zinc/72/29/70/337722970.db2.gz CRNJCUHHLZBMFN-WOJBJXKFSA-N 1 3 310.441 3.752 20 0 DHADHO COc1cccc2c1CC[C@H]2N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423514330 337724093 /nfs/dbraw/zinc/72/40/93/337724093.db2.gz WHCLQIGJQDTCBY-RBUKOAKNSA-N 1 3 310.441 3.752 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424296814 337817006 /nfs/dbraw/zinc/81/70/06/337817006.db2.gz FZNKGDCUYHVIMW-GXUNQHPWSA-N 1 3 322.537 3.680 20 0 DHADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C[C@H]2C1 ZINC000424325669 337821249 /nfs/dbraw/zinc/82/12/49/337821249.db2.gz XZBRVJGSQGRPNU-VUDASAJCSA-N 1 3 320.521 3.577 20 0 DHADHO C[NH+](C)CCC1CCN(CCCc2ccccc2Cl)CC1 ZINC000544069658 337861266 /nfs/dbraw/zinc/86/12/66/337861266.db2.gz JKWWRMCJQRCSPN-UHFFFAOYSA-N 1 3 308.897 3.936 20 0 DHADHO Cc1cccc2c1CC[C@@H]2NCc1ccccc1OCC[NH+](C)C ZINC000122290143 337913751 /nfs/dbraw/zinc/91/37/51/337913751.db2.gz MNWLRGSXCOUXDD-FQEVSTJZSA-N 1 3 324.468 3.713 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000516273647 338009357 /nfs/dbraw/zinc/00/93/57/338009357.db2.gz LVXVREXGVZCXME-UIAACRFSSA-N 1 3 309.457 3.836 20 0 DHADHO COC(C)(C)CN(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000516548798 338015134 /nfs/dbraw/zinc/01/51/34/338015134.db2.gz LKLOMXODTPDNJD-UHFFFAOYSA-N 1 3 304.478 3.529 20 0 DHADHO COC(C)(C)C[N@H+](C)Cc1cccc(CN2CCCCC2)c1 ZINC000516548798 338015135 /nfs/dbraw/zinc/01/51/35/338015135.db2.gz LKLOMXODTPDNJD-UHFFFAOYSA-N 1 3 304.478 3.529 20 0 DHADHO COC(C)(C)C[N@@H+](C)Cc1cccc(CN2CCCCC2)c1 ZINC000516548798 338015136 /nfs/dbraw/zinc/01/51/36/338015136.db2.gz LKLOMXODTPDNJD-UHFFFAOYSA-N 1 3 304.478 3.529 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H]2CCCOc3c(C(C)C)cccc32)C1 ZINC000431347771 338128868 /nfs/dbraw/zinc/12/88/68/338128868.db2.gz HNGMHDSCZIYECL-APWZRJJASA-N 1 3 316.489 3.955 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000431597117 338134363 /nfs/dbraw/zinc/13/43/63/338134363.db2.gz RWVISXMOSJVXDZ-IRXDYDNUSA-N 1 3 306.519 3.831 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000431597117 338134364 /nfs/dbraw/zinc/13/43/64/338134364.db2.gz RWVISXMOSJVXDZ-IRXDYDNUSA-N 1 3 306.519 3.831 20 0 DHADHO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)CCSc2ccccc2)C1 ZINC000431597117 338134365 /nfs/dbraw/zinc/13/43/65/338134365.db2.gz RWVISXMOSJVXDZ-IRXDYDNUSA-N 1 3 306.519 3.831 20 0 DHADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)CCSc2ccccc2)C1 ZINC000431597117 338134366 /nfs/dbraw/zinc/13/43/66/338134366.db2.gz RWVISXMOSJVXDZ-IRXDYDNUSA-N 1 3 306.519 3.831 20 0 DHADHO CCCc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432423844 338156074 /nfs/dbraw/zinc/15/60/74/338156074.db2.gz LJJIRPWBTHXEJU-ZWKOTPCHSA-N 1 3 318.505 3.791 20 0 DHADHO CCCc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432423844 338156075 /nfs/dbraw/zinc/15/60/75/338156075.db2.gz LJJIRPWBTHXEJU-ZWKOTPCHSA-N 1 3 318.505 3.791 20 0 DHADHO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432793504 338167996 /nfs/dbraw/zinc/16/79/96/338167996.db2.gz PYHGFDPRCDEOLK-QGZVFWFLSA-N 1 3 312.457 3.765 20 0 DHADHO COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432793504 338167997 /nfs/dbraw/zinc/16/79/97/338167997.db2.gz PYHGFDPRCDEOLK-QGZVFWFLSA-N 1 3 312.457 3.765 20 0 DHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000153345812 338222831 /nfs/dbraw/zinc/22/28/31/338222831.db2.gz HCSFFWYDIATKTM-AWEZNQCLSA-N 1 3 308.441 3.749 20 0 DHADHO CCN(Cc1cccc(-c2ccccn2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435372792 338238297 /nfs/dbraw/zinc/23/82/97/338238297.db2.gz SORQNPZAYXALKG-IBGZPJMESA-N 1 3 309.457 3.713 20 0 DHADHO CCN(Cc1cccc(-c2ccncc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435394448 338238879 /nfs/dbraw/zinc/23/88/79/338238879.db2.gz NKUIYPTUNBCVDI-HXUWFJFHSA-N 1 3 309.457 3.713 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(C)c(OC)c2)CC1 ZINC000436481433 338273718 /nfs/dbraw/zinc/27/37/18/338273718.db2.gz AKAYCOGRYBOIHL-UHFFFAOYSA-N 1 3 318.505 3.948 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C)c(OC)c2)CC1 ZINC000436481433 338273719 /nfs/dbraw/zinc/27/37/19/338273719.db2.gz AKAYCOGRYBOIHL-UHFFFAOYSA-N 1 3 318.505 3.948 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000437774527 338320838 /nfs/dbraw/zinc/32/08/38/338320838.db2.gz LKVBFBCHXNCVAP-IAGOWNOFSA-N 1 3 306.469 3.714 20 0 DHADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000437774527 338320839 /nfs/dbraw/zinc/32/08/39/338320839.db2.gz LKVBFBCHXNCVAP-IAGOWNOFSA-N 1 3 306.469 3.714 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000437774527 338320840 /nfs/dbraw/zinc/32/08/40/338320840.db2.gz LKVBFBCHXNCVAP-IAGOWNOFSA-N 1 3 306.469 3.714 20 0 DHADHO C[NH+](C)CCCC1CCN(Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438103815 338331764 /nfs/dbraw/zinc/33/17/64/338331764.db2.gz IVGPAZSZAGDTEV-UHFFFAOYSA-N 1 3 317.452 3.861 20 0 DHADHO C[C@@H](C[N@@H+]1CC[C@H](CN2CCCCC2)C1)c1ccc(F)cc1 ZINC000438130938 338333866 /nfs/dbraw/zinc/33/38/66/338333866.db2.gz VLHMADZCKSJSAP-DLBZAZTESA-N 1 3 304.453 3.737 20 0 DHADHO C[C@@H](C[N@H+]1CC[C@H](CN2CCCCC2)C1)c1ccc(F)cc1 ZINC000438130938 338333867 /nfs/dbraw/zinc/33/38/67/338333867.db2.gz VLHMADZCKSJSAP-DLBZAZTESA-N 1 3 304.453 3.737 20 0 DHADHO CCC[NH+](CCC)CCCN[C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442779618 338430699 /nfs/dbraw/zinc/43/06/99/338430699.db2.gz MHPGRGSKBMHTAX-MRXNPFEDSA-N 1 3 313.489 3.737 20 0 DHADHO CC[C@@H](NCC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1F ZINC000447559575 338556827 /nfs/dbraw/zinc/55/68/27/338556827.db2.gz UMEVGVLBFKPESN-GOSISDBHSA-N 1 3 308.416 3.880 20 0 DHADHO CC(C)O[C@H]1C[C@@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000459639718 339039700 /nfs/dbraw/zinc/03/97/00/339039700.db2.gz VWBFMLPEJJHYRH-YSHGAJCASA-N 1 3 308.510 3.575 20 0 DHADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000459639718 339039701 /nfs/dbraw/zinc/03/97/01/339039701.db2.gz VWBFMLPEJJHYRH-YSHGAJCASA-N 1 3 308.510 3.575 20 0 DHADHO CC(C)O[C@H]1C[C@@H](NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000459639713 339039790 /nfs/dbraw/zinc/03/97/90/339039790.db2.gz VWBFMLPEJJHYRH-DSLXNQLJSA-N 1 3 308.510 3.575 20 0 DHADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000459639713 339039791 /nfs/dbraw/zinc/03/97/91/339039791.db2.gz VWBFMLPEJJHYRH-DSLXNQLJSA-N 1 3 308.510 3.575 20 0 DHADHO CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@H](C)C1 ZINC000459670596 339042032 /nfs/dbraw/zinc/04/20/32/339042032.db2.gz UEVKDHJNDRKVHQ-CZPYZCIJSA-N 1 3 310.844 3.655 20 0 DHADHO CC[N@H+]1CC[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@H](C)C1 ZINC000459670596 339042033 /nfs/dbraw/zinc/04/20/33/339042033.db2.gz UEVKDHJNDRKVHQ-CZPYZCIJSA-N 1 3 310.844 3.655 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2cnc(-c3ccccc3)s2)C1 ZINC000459725969 339044637 /nfs/dbraw/zinc/04/46/37/339044637.db2.gz FTZAJFWTCASDPY-OAHLLOKOSA-N 1 3 315.486 3.632 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2cnc(-c3ccccc3)s2)C1 ZINC000459725969 339044638 /nfs/dbraw/zinc/04/46/38/339044638.db2.gz FTZAJFWTCASDPY-OAHLLOKOSA-N 1 3 315.486 3.632 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(C(F)(F)F)s2)C1 ZINC000459728983 339044663 /nfs/dbraw/zinc/04/46/63/339044663.db2.gz CXZJWGZWJYQXDX-NSHDSACASA-N 1 3 306.397 3.588 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(C(F)(F)F)s2)C1 ZINC000459728983 339044664 /nfs/dbraw/zinc/04/46/64/339044664.db2.gz CXZJWGZWJYQXDX-NSHDSACASA-N 1 3 306.397 3.588 20 0 DHADHO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCCN(C)C)C1 ZINC000462774908 339088027 /nfs/dbraw/zinc/08/80/27/339088027.db2.gz PIVGASCQINFHQQ-FUHWJXTLSA-N 1 3 304.478 3.685 20 0 DHADHO CC/C=C/CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000466236550 339197455 /nfs/dbraw/zinc/19/74/55/339197455.db2.gz PRLHMIPHCGSMSH-SNAWJCMRSA-N 1 3 301.478 3.976 20 0 DHADHO CC/C=C/CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000466236550 339197456 /nfs/dbraw/zinc/19/74/56/339197456.db2.gz PRLHMIPHCGSMSH-SNAWJCMRSA-N 1 3 301.478 3.976 20 0 DHADHO CC[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CCCO1 ZINC000467551470 339242068 /nfs/dbraw/zinc/24/20/68/339242068.db2.gz BPTFSUORWVKLOO-IBGZPJMESA-N 1 3 318.505 3.646 20 0 DHADHO CC[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCCO1 ZINC000467551470 339242069 /nfs/dbraw/zinc/24/20/69/339242069.db2.gz BPTFSUORWVKLOO-IBGZPJMESA-N 1 3 318.505 3.646 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2OC(C)(C)C)[C@@H](C)C1 ZINC000469179342 339282235 /nfs/dbraw/zinc/28/22/35/339282235.db2.gz UDGDKACXZMBGPT-FUHWJXTLSA-N 1 3 318.505 3.992 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2OC(C)C)[C@@H](C)C1 ZINC000469210009 339283192 /nfs/dbraw/zinc/28/31/92/339283192.db2.gz GKWCXFJHTRIHCM-FUHWJXTLSA-N 1 3 304.478 3.602 20 0 DHADHO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000469303687 339285695 /nfs/dbraw/zinc/28/56/95/339285695.db2.gz VPUKKUANRISQPR-LNLFQRSKSA-N 1 3 318.505 3.992 20 0 DHADHO C[NH2+]CCC1CCN(Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000469859340 339302846 /nfs/dbraw/zinc/30/28/46/339302846.db2.gz BEPOPJJXFCIHBY-UHFFFAOYSA-N 1 3 300.446 3.871 20 0 DHADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000470000557 339308003 /nfs/dbraw/zinc/30/80/03/339308003.db2.gz SKNNCYFMXCAJAN-ZBFHGGJFSA-N 1 3 300.471 3.974 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)CN1CCCCC1 ZINC000474048990 339399135 /nfs/dbraw/zinc/39/91/35/339399135.db2.gz ZBMMFZJEHALSMI-CABCVRRESA-N 1 3 302.453 3.912 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccc(C)nc1 ZINC000474796796 339426396 /nfs/dbraw/zinc/42/63/96/339426396.db2.gz BWRDHTDLKQQFIY-PMACEKPBSA-N 1 3 317.521 3.813 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000475208091 339441647 /nfs/dbraw/zinc/44/16/47/339441647.db2.gz IKRIWWKCFZBOGP-SJORKVTESA-N 1 3 318.505 3.899 20 0 DHADHO CN(C)Cc1cccc(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)c1 ZINC000488465650 339784150 /nfs/dbraw/zinc/78/41/50/339784150.db2.gz UABSENAFRZSFRC-SJORKVTESA-N 1 3 306.519 3.758 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000501416397 340080569 /nfs/dbraw/zinc/08/05/69/340080569.db2.gz DOSVSYBATUJXSA-ZWKOTPCHSA-N 1 3 318.505 3.964 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000501416397 340080570 /nfs/dbraw/zinc/08/05/70/340080570.db2.gz DOSVSYBATUJXSA-ZWKOTPCHSA-N 1 3 318.505 3.964 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000501476416 340081874 /nfs/dbraw/zinc/08/18/74/340081874.db2.gz LGTRIUBHSGMHGR-SFHVURJKSA-N 1 3 318.505 3.966 20 0 DHADHO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000501876507 340090219 /nfs/dbraw/zinc/09/02/19/340090219.db2.gz NWOKJPHQSJOCDB-UXHICEINSA-N 1 3 323.569 3.597 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCOC ZINC000502480136 340105517 /nfs/dbraw/zinc/10/55/17/340105517.db2.gz GKNWDFFQOJKZES-VJANTYMQSA-N 1 3 310.526 3.682 20 0 DHADHO COc1cc([C@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)ccc1F ZINC000504900022 340155283 /nfs/dbraw/zinc/15/52/83/340155283.db2.gz PZLOFGJNGBDITA-CVEARBPZSA-N 1 3 322.468 3.997 20 0 DHADHO COc1cc([C@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)ccc1F ZINC000504900022 340155284 /nfs/dbraw/zinc/15/52/84/340155284.db2.gz PZLOFGJNGBDITA-CVEARBPZSA-N 1 3 322.468 3.997 20 0 DHADHO CCc1cccnc1[C@@H](C)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000507467589 340221031 /nfs/dbraw/zinc/22/10/31/340221031.db2.gz GBBZZXQMRGUXHD-DLBZAZTESA-N 1 3 303.494 3.949 20 0 DHADHO CCc1cccnc1[C@@H](C)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000507467589 340221032 /nfs/dbraw/zinc/22/10/32/340221032.db2.gz GBBZZXQMRGUXHD-DLBZAZTESA-N 1 3 303.494 3.949 20 0 DHADHO CCC[C@H](NC(C)C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000507842702 340233844 /nfs/dbraw/zinc/23/38/44/340233844.db2.gz YLJLNKIJJHFVPD-SFHVURJKSA-N 1 3 319.493 3.634 20 0 DHADHO Fc1ccc(C[C@@H]2CCCN2CCC[NH+]2CCCCC2)cc1 ZINC000508192635 340240264 /nfs/dbraw/zinc/24/02/64/340240264.db2.gz SHUQAMYSJBZNJC-IBGZPJMESA-N 1 3 304.453 3.709 20 0 DHADHO CCCN1CC[C@@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000510116325 340289262 /nfs/dbraw/zinc/28/92/62/340289262.db2.gz ACDMQAATMLOCID-FHERZECASA-N 1 3 306.881 3.908 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CNC2CC(c3ccccc3Cl)C2)C1 ZINC000510116325 340289263 /nfs/dbraw/zinc/28/92/63/340289263.db2.gz ACDMQAATMLOCID-FHERZECASA-N 1 3 306.881 3.908 20 0 DHADHO CCC[N@H+]1CC[C@@H](CNC2CC(c3ccccc3Cl)C2)C1 ZINC000510116325 340289264 /nfs/dbraw/zinc/28/92/64/340289264.db2.gz ACDMQAATMLOCID-FHERZECASA-N 1 3 306.881 3.908 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510707789 340307424 /nfs/dbraw/zinc/30/74/24/340307424.db2.gz YGTWKPOSJVYJMK-HUUCEWRRSA-N 1 3 310.432 3.607 20 0 DHADHO CCCCN1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000512115639 340349003 /nfs/dbraw/zinc/34/90/03/340349003.db2.gz QMDLBBIFKWACQV-SNAWJCMRSA-N 1 3 308.416 3.832 20 0 DHADHO COc1ccc([C@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000173422585 340364607 /nfs/dbraw/zinc/36/46/07/340364607.db2.gz WKOXRCFXRHYSTR-KBXCAEBGSA-N 1 3 322.493 3.721 20 0 DHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+][C@H]4CC=CCC4)[C@@H]3C2)cc1 ZINC000512672692 340372543 /nfs/dbraw/zinc/37/25/43/340372543.db2.gz LUGCTFGNGQITLU-UWHLTILDSA-N 1 3 310.485 3.985 20 0 DHADHO CCCC(O)(CCC)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000513224868 340398072 /nfs/dbraw/zinc/39/80/72/340398072.db2.gz WOLBGBJITFLHNR-MJGOQNOKSA-N 1 3 324.553 3.950 20 0 DHADHO CCCC(O)(CCC)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000513224868 340398073 /nfs/dbraw/zinc/39/80/73/340398073.db2.gz WOLBGBJITFLHNR-MJGOQNOKSA-N 1 3 324.553 3.950 20 0 DHADHO CCCC(O)(CCC)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000513223711 340398129 /nfs/dbraw/zinc/39/81/29/340398129.db2.gz NQLDTRYIFJPWKL-PKOBYXMFSA-N 1 3 324.553 3.950 20 0 DHADHO CCCC(O)(CCC)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000513223711 340398130 /nfs/dbraw/zinc/39/81/30/340398130.db2.gz NQLDTRYIFJPWKL-PKOBYXMFSA-N 1 3 324.553 3.950 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(-c2ccccc2)s1 ZINC000530211985 340782673 /nfs/dbraw/zinc/78/26/73/340782673.db2.gz PPKHLFLAFIWARE-WMLDXEAASA-N 1 3 300.471 3.893 20 0 DHADHO CC(C)[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000125522136 340804718 /nfs/dbraw/zinc/80/47/18/340804718.db2.gz VYRJYYHICNPDPS-GOSISDBHSA-N 1 3 306.519 3.984 20 0 DHADHO C[C@@H]([NH2+]CCC1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000539067262 340870081 /nfs/dbraw/zinc/87/00/81/340870081.db2.gz DVNLNGHOYCYBDM-MRXNPFEDSA-N 1 3 304.478 3.858 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(OCCN(C)C)cc1 ZINC000541568642 340975113 /nfs/dbraw/zinc/97/51/13/340975113.db2.gz ZQQJQRDFOFVDBZ-YJBOKZPZSA-N 1 3 322.518 3.563 20 0 DHADHO CCC1([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000541908956 340988428 /nfs/dbraw/zinc/98/84/28/340988428.db2.gz YCOSPXZXGMVZPS-AEFFLSMTSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCCCS3)CC2)C1 ZINC000542485317 341009654 /nfs/dbraw/zinc/00/96/54/341009654.db2.gz CHRBTZBCAOERCZ-NJAFHUGGSA-N 1 3 310.551 3.905 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCCCS3)CC2)C1 ZINC000542485317 341009655 /nfs/dbraw/zinc/00/96/55/341009655.db2.gz CHRBTZBCAOERCZ-NJAFHUGGSA-N 1 3 310.551 3.905 20 0 DHADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000542697430 341017743 /nfs/dbraw/zinc/01/77/43/341017743.db2.gz PCEWGLQGXISIES-FUHWJXTLSA-N 1 3 304.865 3.828 20 0 DHADHO CCCN1CCC([N@H+](C)C/C=C/c2ccc(F)cc2F)CC1 ZINC000542701873 341018060 /nfs/dbraw/zinc/01/80/60/341018060.db2.gz LVRQXQFRQNXWLA-SNAWJCMRSA-N 1 3 308.416 3.784 20 0 DHADHO CCCN1CCC([N@@H+](C)C/C=C/c2ccc(F)cc2F)CC1 ZINC000542701873 341018061 /nfs/dbraw/zinc/01/80/61/341018061.db2.gz LVRQXQFRQNXWLA-SNAWJCMRSA-N 1 3 308.416 3.784 20 0 DHADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCCCC1 ZINC000130382054 341020424 /nfs/dbraw/zinc/02/04/24/341020424.db2.gz XBWWKOIVYQKLJZ-QLFBSQMISA-N 1 3 306.416 3.962 20 0 DHADHO C[C@H](CCc1cccc(F)c1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000543092885 341031607 /nfs/dbraw/zinc/03/16/07/341031607.db2.gz HBSMWVRVTMHDJF-APWZRJJASA-N 1 3 318.480 3.811 20 0 DHADHO C[C@H](CCc1cccc(F)c1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000543092885 341031608 /nfs/dbraw/zinc/03/16/08/341031608.db2.gz HBSMWVRVTMHDJF-APWZRJJASA-N 1 3 318.480 3.811 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000543092885 341031609 /nfs/dbraw/zinc/03/16/09/341031609.db2.gz HBSMWVRVTMHDJF-APWZRJJASA-N 1 3 318.480 3.811 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000543092885 341031610 /nfs/dbraw/zinc/03/16/10/341031610.db2.gz HBSMWVRVTMHDJF-APWZRJJASA-N 1 3 318.480 3.811 20 0 DHADHO CCSCCNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000545010889 341104190 /nfs/dbraw/zinc/10/41/90/341104190.db2.gz LNZUODLEMKKBAZ-UHFFFAOYSA-N 1 3 306.519 3.905 20 0 DHADHO Cc1ccc(SC[C@@H](C)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000546017855 341151391 /nfs/dbraw/zinc/15/13/91/341151391.db2.gz CJLSLIFFIPIXNU-MRXNPFEDSA-N 1 3 318.530 3.940 20 0 DHADHO c1cc2cccc(C[NH2+]C3CCN(CC4CCCC4)CC3)c2[nH]1 ZINC000236623781 341189622 /nfs/dbraw/zinc/18/96/22/341189622.db2.gz NMPYTNGGERNYCS-UHFFFAOYSA-N 1 3 311.473 3.912 20 0 DHADHO CC(C)[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000548805820 341276491 /nfs/dbraw/zinc/27/64/91/341276491.db2.gz ATWCQCGDZJYHKX-LJQANCHMSA-N 1 3 304.453 3.987 20 0 DHADHO C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)CN1CCCCC1 ZINC000549147034 341287307 /nfs/dbraw/zinc/28/73/07/341287307.db2.gz CQYIYVVOKVYNOZ-ZULIPRJHSA-N 1 3 300.490 3.890 20 0 DHADHO C[C@@H]1CC(CC[NH2+]C2CCN(C3CCCC3)CC2)C[C@@H](C)O1 ZINC000549226479 341289077 /nfs/dbraw/zinc/28/90/77/341289077.db2.gz YPGGYEOLRAWYPE-HZPDHXFCSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)C[C@H](C)O1 ZINC000549612051 341298974 /nfs/dbraw/zinc/29/89/74/341298974.db2.gz UTLYPLOYCDYLEK-BCDXTJNWSA-N 1 3 322.537 3.967 20 0 DHADHO COC[C@H](NCCCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000550881879 341325337 /nfs/dbraw/zinc/32/53/37/341325337.db2.gz FKOPRDQMTRLPQI-SFHVURJKSA-N 1 3 324.896 3.883 20 0 DHADHO COc1ccc([C@H](C)NCCCCC[NH+]2CCCC2)c(OC)c1 ZINC000550882997 341325422 /nfs/dbraw/zinc/32/54/22/341325422.db2.gz VNFQVFQQPLNSAX-INIZCTEOSA-N 1 3 320.477 3.621 20 0 DHADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000246309861 341341652 /nfs/dbraw/zinc/34/16/52/341341652.db2.gz DDVHRSJTDKODQM-STQMWFEESA-N 1 3 300.368 3.650 20 0 DHADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000246309861 341341653 /nfs/dbraw/zinc/34/16/53/341341653.db2.gz DDVHRSJTDKODQM-STQMWFEESA-N 1 3 300.368 3.650 20 0 DHADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCC3(C)C)CC2)cc1 ZINC000551530336 341344068 /nfs/dbraw/zinc/34/40/68/341344068.db2.gz RLUGFFISMLJURE-LJQANCHMSA-N 1 3 316.489 3.685 20 0 DHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000551540173 341344754 /nfs/dbraw/zinc/34/47/54/341344754.db2.gz BPSDDNQJTVPACV-XAMWDVODSA-N 1 3 316.489 3.509 20 0 DHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000246848992 341357783 /nfs/dbraw/zinc/35/77/83/341357783.db2.gz BHUZQYNPIBEPOY-KURKYZTESA-N 1 3 318.505 3.897 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000246874329 341358122 /nfs/dbraw/zinc/35/81/22/341358122.db2.gz DQIYUTKUQWSUAG-CHWSQXEVSA-N 1 3 316.367 3.578 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000246896208 341358306 /nfs/dbraw/zinc/35/83/06/341358306.db2.gz FBHGLGNMEZZDME-GJYPPUQNSA-N 1 3 302.462 3.535 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000247057932 341360370 /nfs/dbraw/zinc/36/03/70/341360370.db2.gz NRNZXJKSCYIPQD-HZPDHXFCSA-N 1 3 312.457 3.841 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000247057932 341360371 /nfs/dbraw/zinc/36/03/71/341360371.db2.gz NRNZXJKSCYIPQD-HZPDHXFCSA-N 1 3 312.457 3.841 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000247057932 341360372 /nfs/dbraw/zinc/36/03/72/341360372.db2.gz NRNZXJKSCYIPQD-HZPDHXFCSA-N 1 3 312.457 3.841 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000247137131 341361466 /nfs/dbraw/zinc/36/14/66/341361466.db2.gz SBGAVTGPESJVOC-BJLQDIEVSA-N 1 3 318.505 3.783 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(C)cc2)[C@@H](C)C1 ZINC000247137131 341361467 /nfs/dbraw/zinc/36/14/67/341361467.db2.gz SBGAVTGPESJVOC-BJLQDIEVSA-N 1 3 318.505 3.783 20 0 DHADHO CC(C)COc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000247180124 341361861 /nfs/dbraw/zinc/36/18/61/341361861.db2.gz VBWCNRQDQJALSI-XYJFISCASA-N 1 3 304.478 3.540 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(C)s2)[C@@H](C)C1 ZINC000247199348 341362182 /nfs/dbraw/zinc/36/21/82/341362182.db2.gz WFWGHXJQPHIAEA-XIRDDKMYSA-N 1 3 324.534 3.844 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(C)s2)[C@@H](C)C1 ZINC000247199348 341362183 /nfs/dbraw/zinc/36/21/83/341362183.db2.gz WFWGHXJQPHIAEA-XIRDDKMYSA-N 1 3 324.534 3.844 20 0 DHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Cl ZINC000247350990 341363845 /nfs/dbraw/zinc/36/38/45/341363845.db2.gz PCKHUEYODRUWPF-OWCLPIDISA-N 1 3 324.896 3.880 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@]2(O)CCCC2(C)C)CC1 ZINC000552111308 341370473 /nfs/dbraw/zinc/37/04/73/341370473.db2.gz WLWDYUWRKVNBQX-KPFFTGBYSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@@]2(O)CCCC2(C)C)CC1 ZINC000552111308 341370474 /nfs/dbraw/zinc/37/04/74/341370474.db2.gz WLWDYUWRKVNBQX-KPFFTGBYSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@]2(O)CCCC2(C)C)CC1 ZINC000552111307 341370491 /nfs/dbraw/zinc/37/04/91/341370491.db2.gz WLWDYUWRKVNBQX-IMFGXOCKSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@]2(O)CCCC2(C)C)CC1 ZINC000552111307 341370492 /nfs/dbraw/zinc/37/04/92/341370492.db2.gz WLWDYUWRKVNBQX-IMFGXOCKSA-N 1 3 322.537 3.560 20 0 DHADHO Fc1ccc2c(c1)CC[C@@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249095940 341393868 /nfs/dbraw/zinc/39/38/68/341393868.db2.gz LXZOBRMFHFXMAG-UTKZUKDTSA-N 1 3 324.443 3.925 20 0 DHADHO Fc1ccc2c(c1)CC[C@@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249095940 341393869 /nfs/dbraw/zinc/39/38/69/341393869.db2.gz LXZOBRMFHFXMAG-UTKZUKDTSA-N 1 3 324.443 3.925 20 0 DHADHO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000249202783 341395287 /nfs/dbraw/zinc/39/52/87/341395287.db2.gz UMDJKPSXVHARST-RYRKJORJSA-N 1 3 318.480 3.999 20 0 DHADHO C[C@H](Cc1ccccc1F)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249202783 341395288 /nfs/dbraw/zinc/39/52/88/341395288.db2.gz UMDJKPSXVHARST-RYRKJORJSA-N 1 3 318.480 3.999 20 0 DHADHO C[C@H](Cc1ccccc1F)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249202783 341395289 /nfs/dbraw/zinc/39/52/89/341395289.db2.gz UMDJKPSXVHARST-RYRKJORJSA-N 1 3 318.480 3.999 20 0 DHADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1sccc1Br ZINC000567655268 341624745 /nfs/dbraw/zinc/62/47/45/341624745.db2.gz VGSZPTOCDMMDOI-MNOVXSKESA-N 1 3 317.296 3.693 20 0 DHADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)CS1 ZINC000368462799 518947929 /nfs/dbraw/zinc/94/79/29/518947929.db2.gz QKNCOESFFAJHST-WBVHZDCISA-N 1 3 310.551 3.903 20 0 DHADHO CC(C)(C)[C@@H]1C[C@@H](NC2CC[NH+](C3CCCC3)CC2)CS1 ZINC000368462799 518947935 /nfs/dbraw/zinc/94/79/35/518947935.db2.gz QKNCOESFFAJHST-WBVHZDCISA-N 1 3 310.551 3.903 20 0 DHADHO CC(=O)Nc1ccc([C@@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000182084756 519732957 /nfs/dbraw/zinc/73/29/57/519732957.db2.gz KSEHBVRFTRMQOK-RDTXWAMCSA-N 1 3 319.493 3.662 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000337346106 519773103 /nfs/dbraw/zinc/77/31/03/519773103.db2.gz VTZRCZLLISUHJD-ROUUACIJSA-N 1 3 318.505 3.822 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000337346106 519773104 /nfs/dbraw/zinc/77/31/04/519773104.db2.gz VTZRCZLLISUHJD-ROUUACIJSA-N 1 3 318.505 3.822 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000337340750 521008208 /nfs/dbraw/zinc/00/82/08/521008208.db2.gz PRUSWGSSVHNDOC-ICSRJNTNSA-N 1 3 315.505 3.819 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccs2)[C@H](C)C1 ZINC000154483431 521707722 /nfs/dbraw/zinc/70/77/22/521707722.db2.gz AYTHYABSPIZFLN-PMPSAXMXSA-N 1 3 310.507 3.536 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cccs2)[C@H](C)C1 ZINC000154483431 521707724 /nfs/dbraw/zinc/70/77/24/521707724.db2.gz AYTHYABSPIZFLN-PMPSAXMXSA-N 1 3 310.507 3.536 20 0 DHADHO CC[C@H](NCc1cccc(C[NH+](CC)CC)c1)c1cnn(C)c1 ZINC000163541139 522653726 /nfs/dbraw/zinc/65/37/26/522653726.db2.gz JYDQQVTWTPHQRZ-IBGZPJMESA-N 1 3 314.477 3.503 20 0 DHADHO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccc(C)cc1 ZINC000159064614 522811718 /nfs/dbraw/zinc/81/17/18/522811718.db2.gz ZWSWFFXJQLFHOR-LJQANCHMSA-N 1 3 304.478 3.537 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccccc1OC(F)F ZINC000163283603 522857557 /nfs/dbraw/zinc/85/75/57/522857557.db2.gz MLPUSLKQSBSIAD-DZGCQCFKSA-N 1 3 312.404 3.671 20 0 DHADHO COCCC[NH+]1CCC(N[C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000159175360 523301278 /nfs/dbraw/zinc/30/12/78/523301278.db2.gz SSVNBMSUFWFMLS-UZLBHIALSA-N 1 3 316.489 3.716 20 0 DHADHO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2ccsc2S1 ZINC000130315383 524925392 /nfs/dbraw/zinc/92/53/92/524925392.db2.gz YKQFTJCDQCTQNA-HUBLWGQQSA-N 1 3 308.516 3.747 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2ccsc2S1 ZINC000336826932 525268407 /nfs/dbraw/zinc/26/84/07/525268407.db2.gz YKQFTJCDQCTQNA-LALPHHSUSA-N 1 3 308.516 3.747 20 0 DHADHO Cc1ccsc1[C@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000162561059 525886161 /nfs/dbraw/zinc/88/61/61/525886161.db2.gz GCMFGLJLJRJDMC-HNNXBMFYSA-N 1 3 318.486 3.848 20 0 DHADHO Cc1ccc2cc(C[NH2+]C3CCN(CC(C)C)CC3)ccc2n1 ZINC000189246901 526231229 /nfs/dbraw/zinc/23/12/29/526231229.db2.gz DLMQFWIDGIRTPZ-UHFFFAOYSA-N 1 3 311.473 3.753 20 0 DHADHO Cc1nc(C)c(CCNC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000157901509 526713341 /nfs/dbraw/zinc/71/33/41/526713341.db2.gz COESEHRKWIEANP-UHFFFAOYSA-N 1 3 321.534 3.689 20 0 DHADHO Cc1nc(C)c(CC[NH2+]C2CCN(C3CCCCC3)CC2)s1 ZINC000157901509 526713345 /nfs/dbraw/zinc/71/33/45/526713345.db2.gz COESEHRKWIEANP-UHFFFAOYSA-N 1 3 321.534 3.689 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000297913836 535176273 /nfs/dbraw/zinc/17/62/73/535176273.db2.gz WSXBRLSSKLJHGD-ZBFHGGJFSA-N 1 3 321.896 3.822 20 0 DHADHO CCS[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297634775 535726000 /nfs/dbraw/zinc/72/60/00/535726000.db2.gz MFCSNJRKTKJOTG-ROUUACIJSA-N 1 3 319.518 3.704 20 0 DHADHO Cc1cnccc1CN1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001279380816 1013103878 /nfs/dbraw/zinc/10/38/78/1013103878.db2.gz AGJBDKWLQVQABL-UHFFFAOYSA-N 1 3 313.489 3.621 20 0 DHADHO Cc1cnccc1CN1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001279380816 1013103881 /nfs/dbraw/zinc/10/38/81/1013103881.db2.gz AGJBDKWLQVQABL-UHFFFAOYSA-N 1 3 313.489 3.621 20 0 DHADHO CCCOC1CCC([NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001173089856 1033522069 /nfs/dbraw/zinc/52/20/69/1033522069.db2.gz AQPIDCWXSFYRFB-YYZRRKBYSA-N 1 3 310.526 3.682 20 0 DHADHO Cc1c(Cl)c(CN2CCC[C@H](CC[NH3+])C2)nc2ccccc12 ZINC000261975892 1013191311 /nfs/dbraw/zinc/19/13/11/1013191311.db2.gz QTEDOWSUVHKORM-CQSZACIVSA-N 1 3 317.864 3.757 20 0 DHADHO COc1ccc([C@@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000076446299 1013320012 /nfs/dbraw/zinc/32/00/12/1013320012.db2.gz WXTMRIOZBHLDRX-IEBWSBKVSA-N 1 3 324.468 3.868 20 0 DHADHO COc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076446299 1013320024 /nfs/dbraw/zinc/32/00/24/1013320024.db2.gz WXTMRIOZBHLDRX-IEBWSBKVSA-N 1 3 324.468 3.868 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2ocnc2C)CC1)CC(C)C ZINC000894780113 1013489518 /nfs/dbraw/zinc/48/95/18/1013489518.db2.gz XGFBLBRSIPCTPT-UHFFFAOYSA-N 1 3 307.482 3.563 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2ocnc2C)CC1)CC(C)C ZINC000894780113 1013489520 /nfs/dbraw/zinc/48/95/20/1013489520.db2.gz XGFBLBRSIPCTPT-UHFFFAOYSA-N 1 3 307.482 3.563 20 0 DHADHO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000188444844 1013761253 /nfs/dbraw/zinc/76/12/53/1013761253.db2.gz UMDJKPSXVHARST-SOLBZPMBSA-N 1 3 318.480 3.999 20 0 DHADHO Cc1cncc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000189926049 1014225023 /nfs/dbraw/zinc/22/50/23/1014225023.db2.gz CNLCOKZQAVAGIG-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1cncc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000189926049 1014225028 /nfs/dbraw/zinc/22/50/28/1014225028.db2.gz CNLCOKZQAVAGIG-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000361763532 1032088367 /nfs/dbraw/zinc/08/83/67/1032088367.db2.gz FDOYDBDZMXDUKV-TWOQFEAHSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000361763532 1032088379 /nfs/dbraw/zinc/08/83/79/1032088379.db2.gz FDOYDBDZMXDUKV-TWOQFEAHSA-N 1 3 309.457 3.882 20 0 DHADHO Cc1cc2c(cc1C)[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)CCS2 ZINC000427691161 1014516117 /nfs/dbraw/zinc/51/61/17/1014516117.db2.gz SLQVYLXFYXQQNR-HLLBOEOZSA-N 1 3 304.503 3.913 20 0 DHADHO Cc1cc2c(cc1C)[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)CCS2 ZINC000427691161 1014516120 /nfs/dbraw/zinc/51/61/20/1014516120.db2.gz SLQVYLXFYXQQNR-HLLBOEOZSA-N 1 3 304.503 3.913 20 0 DHADHO COc1ccc2cc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)ccc2c1 ZINC000665279388 1014663007 /nfs/dbraw/zinc/66/30/07/1014663007.db2.gz BNLNRLLJWQZZGE-AUUYWEPGSA-N 1 3 300.446 3.872 20 0 DHADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442712985 1014720824 /nfs/dbraw/zinc/72/08/24/1014720824.db2.gz HJWLXIQVNPKSJG-WXLSXGNJSA-N 1 3 302.453 3.768 20 0 DHADHO CO[C@H]1CCCC[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000442800198 1014737278 /nfs/dbraw/zinc/73/72/78/1014737278.db2.gz ZAFQZUZFOUXDIV-YSHGAJCASA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@H]1CCCC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000442800198 1014737286 /nfs/dbraw/zinc/73/72/86/1014737286.db2.gz ZAFQZUZFOUXDIV-YSHGAJCASA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@H]1CCCC[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000442800192 1014737295 /nfs/dbraw/zinc/73/72/95/1014737295.db2.gz ZAFQZUZFOUXDIV-NQYYFHDYSA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@H]1CCCC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000442800192 1014737303 /nfs/dbraw/zinc/73/73/03/1014737303.db2.gz ZAFQZUZFOUXDIV-NQYYFHDYSA-N 1 3 308.510 3.577 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000665301129 1014776315 /nfs/dbraw/zinc/77/63/15/1014776315.db2.gz OYPUBOXNQSFLCK-QVKFZJNVSA-N 1 3 323.484 3.867 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC(F)(F)F ZINC000276175973 1014792896 /nfs/dbraw/zinc/79/28/96/1014792896.db2.gz FZCNAVIRGUSFNQ-FOLVSLTJSA-N 1 3 314.395 3.685 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC(F)(F)F ZINC000276175973 1014792908 /nfs/dbraw/zinc/79/29/08/1014792908.db2.gz FZCNAVIRGUSFNQ-FOLVSLTJSA-N 1 3 314.395 3.685 20 0 DHADHO C[C@H](CC[NH2+][C@H](c1cccnc1)C1CCC1)N1CCCCC1 ZINC000280852991 1014978313 /nfs/dbraw/zinc/97/83/13/1014978313.db2.gz MSZCHILJYSQCKM-APWZRJJASA-N 1 3 301.478 3.777 20 0 DHADHO C[C@H](N)c1ccn([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168023880 1015054668 /nfs/dbraw/zinc/05/46/68/1015054668.db2.gz YSAUFCJPJTZUCI-DFGXFYAUSA-N 1 3 312.461 3.517 20 0 DHADHO C[C@H](N)c1ccn([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168023880 1015054681 /nfs/dbraw/zinc/05/46/81/1015054681.db2.gz YSAUFCJPJTZUCI-DFGXFYAUSA-N 1 3 312.461 3.517 20 0 DHADHO C[C@@H](N)c1ccn([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168023882 1015056255 /nfs/dbraw/zinc/05/62/55/1015056255.db2.gz YSAUFCJPJTZUCI-KYHPRHEASA-N 1 3 312.461 3.517 20 0 DHADHO C[C@@H](N)c1ccn([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168023882 1015056265 /nfs/dbraw/zinc/05/62/65/1015056265.db2.gz YSAUFCJPJTZUCI-KYHPRHEASA-N 1 3 312.461 3.517 20 0 DHADHO CO[C@@H](CC(C)C)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167505780 1016175836 /nfs/dbraw/zinc/17/58/36/1016175836.db2.gz VQIKOSUIMYKRDN-PMACEKPBSA-N 1 3 318.505 3.501 20 0 DHADHO CO[C@@H](CC(C)C)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167505780 1016175842 /nfs/dbraw/zinc/17/58/42/1016175842.db2.gz VQIKOSUIMYKRDN-PMACEKPBSA-N 1 3 318.505 3.501 20 0 DHADHO CO[C@H](CC(C)C)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167505786 1016176357 /nfs/dbraw/zinc/17/63/57/1016176357.db2.gz VQIKOSUIMYKRDN-WOJBJXKFSA-N 1 3 318.505 3.501 20 0 DHADHO CO[C@H](CC(C)C)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167505786 1016176361 /nfs/dbraw/zinc/17/63/61/1016176361.db2.gz VQIKOSUIMYKRDN-WOJBJXKFSA-N 1 3 318.505 3.501 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(-c4ccccc4F)o3)C[C@H]21 ZINC000346819736 1016564540 /nfs/dbraw/zinc/56/45/40/1016564540.db2.gz DYRQAHVAQHWULD-MZMPZRCHSA-N 1 3 314.404 3.645 20 0 DHADHO C[C@H]1C[N@H+](CC(C)(C)CN(C)C)CCc2ccc(Cl)cc21 ZINC001207288724 1016648045 /nfs/dbraw/zinc/64/80/45/1016648045.db2.gz VATSWPBKLAWIKJ-AWEZNQCLSA-N 1 3 308.897 3.889 20 0 DHADHO C[C@H]1C[N@@H+](CC(C)(C)CN(C)C)CCc2ccc(Cl)cc21 ZINC001207288724 1016648049 /nfs/dbraw/zinc/64/80/49/1016648049.db2.gz VATSWPBKLAWIKJ-AWEZNQCLSA-N 1 3 308.897 3.889 20 0 DHADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cc(-c3ccccc3)cs2)C1 ZINC000347056523 1016710219 /nfs/dbraw/zinc/71/02/19/1016710219.db2.gz VLKVOCDNYOFWDF-GDBMZVCRSA-N 1 3 300.471 3.974 20 0 DHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000671297547 1016880018 /nfs/dbraw/zinc/88/00/18/1016880018.db2.gz ZOCBBHHFTWMZBT-MBKANNOKSA-N 1 3 316.489 3.650 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)C[C@@H]1C ZINC001167586731 1016985208 /nfs/dbraw/zinc/98/52/08/1016985208.db2.gz PJRGNUYRQDPGPF-RANZSIQMSA-N 1 3 322.443 3.840 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)C[C@@H]1C ZINC001167586731 1016985213 /nfs/dbraw/zinc/98/52/13/1016985213.db2.gz PJRGNUYRQDPGPF-RANZSIQMSA-N 1 3 322.443 3.840 20 0 DHADHO C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(Cl)c1 ZINC000623432408 1017045577 /nfs/dbraw/zinc/04/55/77/1017045577.db2.gz QNCOXXVVCFCIFF-HIFRSBDPSA-N 1 3 310.869 3.570 20 0 DHADHO C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Oc1cccc(Cl)c1 ZINC000623432408 1017045587 /nfs/dbraw/zinc/04/55/87/1017045587.db2.gz QNCOXXVVCFCIFF-HIFRSBDPSA-N 1 3 310.869 3.570 20 0 DHADHO FC1(F)[C@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]21 ZINC001168311403 1032194165 /nfs/dbraw/zinc/19/41/65/1032194165.db2.gz ZHRAZYMEBMRKDJ-ZWKOTPCHSA-N 1 3 320.427 3.760 20 0 DHADHO Cc1ccc(SC[C@@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623495282 1017071735 /nfs/dbraw/zinc/07/17/35/1017071735.db2.gz XLVFXBBQFYZRPU-HZPDHXFCSA-N 1 3 306.519 3.938 20 0 DHADHO Cc1ccc(SC[C@@H](C)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623495282 1017071740 /nfs/dbraw/zinc/07/17/40/1017071740.db2.gz XLVFXBBQFYZRPU-HZPDHXFCSA-N 1 3 306.519 3.938 20 0 DHADHO NCCC[N@H+]([C@H]1Cc2ccc(Cl)cc2C1)C1CCCCC1 ZINC001172709400 1033343717 /nfs/dbraw/zinc/34/37/17/1033343717.db2.gz ZGYHJNPMFAPTNP-SFHVURJKSA-N 1 3 306.881 3.791 20 0 DHADHO NCCC[N@@H+]([C@H]1Cc2ccc(Cl)cc2C1)C1CCCCC1 ZINC001172709400 1033343734 /nfs/dbraw/zinc/34/37/34/1033343734.db2.gz ZGYHJNPMFAPTNP-SFHVURJKSA-N 1 3 306.881 3.791 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623503988 1017082506 /nfs/dbraw/zinc/08/25/06/1017082506.db2.gz WWSFJFZUMHVXLM-HNNXBMFYSA-N 1 3 314.395 3.976 20 0 DHADHO CCSCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000612879916 1032474098 /nfs/dbraw/zinc/47/40/98/1032474098.db2.gz BRFZYENWKRQPIC-GBESFXJTSA-N 1 3 318.530 3.630 20 0 DHADHO C[C@@H]1C[C@H](N(C)Cc2cccc(-c3ccncc3)c2)CC[N@@H+]1C ZINC000093644471 1032550269 /nfs/dbraw/zinc/55/02/69/1032550269.db2.gz CVSKPHIHFQPKLU-OXQOHEQNSA-N 1 3 309.457 3.663 20 0 DHADHO C[C@@H]1C[C@H](N(C)Cc2cccc(-c3ccncc3)c2)CC[N@H+]1C ZINC000093644471 1032550271 /nfs/dbraw/zinc/55/02/71/1032550271.db2.gz CVSKPHIHFQPKLU-OXQOHEQNSA-N 1 3 309.457 3.663 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(-c3ccncc3)c2)[C@H](C)C1 ZINC000093639232 1032549163 /nfs/dbraw/zinc/54/91/63/1032549163.db2.gz AHUHXRPESIOOJQ-UTKZUKDTSA-N 1 3 323.484 3.911 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(-c3ccncc3)c2)[C@H](C)C1 ZINC000093639232 1032549169 /nfs/dbraw/zinc/54/91/69/1032549169.db2.gz AHUHXRPESIOOJQ-UTKZUKDTSA-N 1 3 323.484 3.911 20 0 DHADHO CCCOc1ccc(C[N@H+](C)C2CCN(CCC)CC2)cc1 ZINC000124957305 1032579002 /nfs/dbraw/zinc/57/90/02/1032579002.db2.gz TUENIFALODYAME-UHFFFAOYSA-N 1 3 304.478 3.782 20 0 DHADHO CCCOc1ccc(C[N@@H+](C)C2CCN(CCC)CC2)cc1 ZINC000124957305 1032579007 /nfs/dbraw/zinc/57/90/07/1032579007.db2.gz TUENIFALODYAME-UHFFFAOYSA-N 1 3 304.478 3.782 20 0 DHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000122971632 1032593285 /nfs/dbraw/zinc/59/32/85/1032593285.db2.gz HNVCANRAIBWRHK-CQSZACIVSA-N 1 3 308.441 3.749 20 0 DHADHO CSc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000579711784 1011959171 /nfs/dbraw/zinc/95/91/71/1011959171.db2.gz HCURBVHKMQLRDY-IFXJQAMLSA-N 1 3 316.514 3.860 20 0 DHADHO CSc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000579711784 1011959193 /nfs/dbraw/zinc/95/91/93/1011959193.db2.gz HCURBVHKMQLRDY-IFXJQAMLSA-N 1 3 316.514 3.860 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(COc3ccccc3)cc2)C1 ZINC000579731824 1012001581 /nfs/dbraw/zinc/00/15/81/1012001581.db2.gz OMFYHWVHZGHKKX-RTBURBONSA-N 1 3 310.441 3.625 20 0 DHADHO Cc1ccccc1[C@H](C)NCc1ccccc1OCC[NH+](C)C ZINC000122367028 1032604399 /nfs/dbraw/zinc/60/43/99/1032604399.db2.gz PLCIQFSJIZNFEF-KRWDZBQOSA-N 1 3 312.457 3.786 20 0 DHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894317966 1012754303 /nfs/dbraw/zinc/75/43/03/1012754303.db2.gz XPXJSUBLKUIUDQ-CHWSQXEVSA-N 1 3 323.893 3.912 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCc2cccc(COCc3ccccc3)c2)C1 ZINC000516877775 1012855519 /nfs/dbraw/zinc/85/55/19/1012855519.db2.gz LZNDKGGKMJUWMF-SFTDATJTSA-N 1 3 324.468 3.763 20 0 DHADHO CCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000537696391 1032677202 /nfs/dbraw/zinc/67/72/02/1032677202.db2.gz HGUBBTLHNYKIQD-KSSFIOAISA-N 1 3 304.503 3.759 20 0 DHADHO CCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000537696391 1032677204 /nfs/dbraw/zinc/67/72/04/1032677204.db2.gz HGUBBTLHNYKIQD-KSSFIOAISA-N 1 3 304.503 3.759 20 0 DHADHO Cc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000178040745 1017153253 /nfs/dbraw/zinc/15/32/53/1017153253.db2.gz XVYOKSSALSEFCH-FGTMMUONSA-N 1 3 304.478 3.535 20 0 DHADHO Cc1ccc(OC(F)F)c(CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639755160 1017407770 /nfs/dbraw/zinc/40/77/70/1017407770.db2.gz GYMPOQOBVNADIX-UHFFFAOYSA-N 1 3 324.415 3.514 20 0 DHADHO CSCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716679637 1032701219 /nfs/dbraw/zinc/70/12/19/1032701219.db2.gz FHTJVZVVZVIWEL-FHWLQOOXSA-N 1 3 318.530 3.772 20 0 DHADHO CC(C)SCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716683957 1032701680 /nfs/dbraw/zinc/70/16/80/1032701680.db2.gz VMGHTGRGSDUYCI-FHWLQOOXSA-N 1 3 318.530 3.771 20 0 DHADHO Cc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)o1 ZINC000716673279 1032703036 /nfs/dbraw/zinc/70/30/36/1032703036.db2.gz NZCWEFQOMVCKOD-UFYCRDLUSA-N 1 3 324.468 3.773 20 0 DHADHO Cc1ccc(CCN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)o1 ZINC000716673279 1032703052 /nfs/dbraw/zinc/70/30/52/1032703052.db2.gz NZCWEFQOMVCKOD-UFYCRDLUSA-N 1 3 324.468 3.773 20 0 DHADHO Cc1ccc(CCN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)o1 ZINC000716673279 1032703068 /nfs/dbraw/zinc/70/30/68/1032703068.db2.gz NZCWEFQOMVCKOD-UFYCRDLUSA-N 1 3 324.468 3.773 20 0 DHADHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CS1 ZINC000716674416 1032704095 /nfs/dbraw/zinc/70/40/95/1032704095.db2.gz XJGFNFKXGJFRNU-RFZNHBKKSA-N 1 3 316.514 3.523 20 0 DHADHO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCN1CCCCC1 ZINC000444609214 1017587994 /nfs/dbraw/zinc/58/79/94/1017587994.db2.gz ASKZHLRLIYHQCX-YJBOKZPZSA-N 1 3 324.896 3.882 20 0 DHADHO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCN1CCCCC1 ZINC000444609212 1017589591 /nfs/dbraw/zinc/58/95/91/1017589591.db2.gz ASKZHLRLIYHQCX-MAUKXSAKSA-N 1 3 324.896 3.882 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454598 1032714062 /nfs/dbraw/zinc/71/40/62/1032714062.db2.gz VJIJJSIUHTXPCM-YOEHRIQHSA-N 1 3 322.443 3.676 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000624123268 1017694564 /nfs/dbraw/zinc/69/45/64/1017694564.db2.gz IVXZXZJWJCGLCZ-OTWHNJEPSA-N 1 3 315.505 3.738 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123654 1017695940 /nfs/dbraw/zinc/69/59/40/1017695940.db2.gz PVZWJYUNSFAXFS-CABCVRRESA-N 1 3 310.432 3.607 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624121103 1017696396 /nfs/dbraw/zinc/69/63/96/1017696396.db2.gz OAHNKYOEVQAIDN-IKGGRYGDSA-N 1 3 304.478 3.509 20 0 DHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2c(C)cccc2C)[C@H](C)C1 ZINC000181382122 1017746085 /nfs/dbraw/zinc/74/60/85/1017746085.db2.gz PMNJIJTVMPBLEY-UYAOXDASSA-N 1 3 318.505 3.530 20 0 DHADHO CCOCCC[N@H+]1CC[C@@H](NCc2c(C)cccc2C)[C@H](C)C1 ZINC000181382122 1017746095 /nfs/dbraw/zinc/74/60/95/1017746095.db2.gz PMNJIJTVMPBLEY-UYAOXDASSA-N 1 3 318.505 3.530 20 0 DHADHO C[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1ccccc1 ZINC000182067684 1017858751 /nfs/dbraw/zinc/85/87/51/1017858751.db2.gz LPDIDJDIGUYQLI-KRWDZBQOSA-N 1 3 300.490 3.862 20 0 DHADHO C[C@H]1C[C@H](NCCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358795053 1017888177 /nfs/dbraw/zinc/88/81/77/1017888177.db2.gz ZSSLHPYNXCSYQF-DZGCQCFKSA-N 1 3 300.368 3.582 20 0 DHADHO C[C@H]1C[C@H](NCCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000358795053 1017888194 /nfs/dbraw/zinc/88/81/94/1017888194.db2.gz ZSSLHPYNXCSYQF-DZGCQCFKSA-N 1 3 300.368 3.582 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000183417218 1018021296 /nfs/dbraw/zinc/02/12/96/1018021296.db2.gz RDPOWRQFQJEUFX-SZVBFZGTSA-N 1 3 304.453 3.563 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000183417218 1018021311 /nfs/dbraw/zinc/02/13/11/1018021311.db2.gz RDPOWRQFQJEUFX-SZVBFZGTSA-N 1 3 304.453 3.563 20 0 DHADHO CC[C@H](COCC1CC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000658090249 1018066089 /nfs/dbraw/zinc/06/60/89/1018066089.db2.gz HGFJTKNRCMANDP-HQRMLTQVSA-N 1 3 322.537 3.824 20 0 DHADHO C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000524752595 1018079033 /nfs/dbraw/zinc/07/90/33/1018079033.db2.gz MWISAKYUGASPTP-LJQANCHMSA-N 1 3 312.432 3.780 20 0 DHADHO C[N@H+](Cc1cccc(F)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000524752595 1018079048 /nfs/dbraw/zinc/07/90/48/1018079048.db2.gz MWISAKYUGASPTP-LJQANCHMSA-N 1 3 312.432 3.780 20 0 DHADHO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185669203 1018123000 /nfs/dbraw/zinc/12/30/00/1018123000.db2.gz JTRPHFOEOQIZKH-GDBMZVCRSA-N 1 3 322.443 3.750 20 0 DHADHO CCC(C)(C)[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164742 1018190600 /nfs/dbraw/zinc/19/06/00/1018190600.db2.gz OSVVBZUVRDWEDP-MRXNPFEDSA-N 1 3 303.494 3.708 20 0 DHADHO Cc1ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000380909467 1018209161 /nfs/dbraw/zinc/20/91/61/1018209161.db2.gz KDHXMTIPUUDZTF-FQEVSTJZSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000380909467 1018209174 /nfs/dbraw/zinc/20/91/74/1018209174.db2.gz KDHXMTIPUUDZTF-FQEVSTJZSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1ccc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000380909476 1018211282 /nfs/dbraw/zinc/21/12/82/1018211282.db2.gz KDHXMTIPUUDZTF-HXUWFJFHSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1ccc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000380909476 1018211301 /nfs/dbraw/zinc/21/13/01/1018211301.db2.gz KDHXMTIPUUDZTF-HXUWFJFHSA-N 1 3 308.469 3.915 20 0 DHADHO CC[NH+]1CCC(N(C)CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000447313117 1018367293 /nfs/dbraw/zinc/36/72/93/1018367293.db2.gz JMABVYQGHIEMAS-UHFFFAOYSA-N 1 3 315.288 3.952 20 0 DHADHO C[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000447822527 1018479496 /nfs/dbraw/zinc/47/94/96/1018479496.db2.gz QDDFCYQZJGPYJM-PZJWPPBQSA-N 1 3 322.496 3.944 20 0 DHADHO CC1(C)C[NH2+]CC[C@H](N[C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000635012637 1018514814 /nfs/dbraw/zinc/51/48/14/1018514814.db2.gz UVEZJCIPHWAQST-YTQUADARSA-N 1 3 316.489 3.522 20 0 DHADHO OCCC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925204786 1018521274 /nfs/dbraw/zinc/52/12/74/1018521274.db2.gz GQSCXYGXMUKDTN-XLIONFOSSA-N 1 3 322.537 3.704 20 0 DHADHO COc1ccc([C@H](CC(C)C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000647306103 1018650699 /nfs/dbraw/zinc/65/06/99/1018650699.db2.gz YHPPZOBQKGIHLB-DLZDZTESSA-N 1 3 316.489 3.997 20 0 DHADHO COc1ccc([C@H](CC(C)C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000647306103 1018650704 /nfs/dbraw/zinc/65/07/04/1018650704.db2.gz YHPPZOBQKGIHLB-DLZDZTESSA-N 1 3 316.489 3.997 20 0 DHADHO CCO[C@H]1CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000676413904 1018726060 /nfs/dbraw/zinc/72/60/60/1018726060.db2.gz KXVXUJOQUSBONY-IBGZPJMESA-N 1 3 318.505 3.646 20 0 DHADHO CCO[C@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000676413904 1018726070 /nfs/dbraw/zinc/72/60/70/1018726070.db2.gz KXVXUJOQUSBONY-IBGZPJMESA-N 1 3 318.505 3.646 20 0 DHADHO CCOc1cccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000765238242 1018727282 /nfs/dbraw/zinc/72/72/82/1018727282.db2.gz NOPHRQYWORUMBV-IAGOWNOFSA-N 1 3 304.478 3.858 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000584008125 1018835269 /nfs/dbraw/zinc/83/52/69/1018835269.db2.gz CWNNCDHKNHFLRM-HNAYVOBHSA-N 1 3 320.908 3.983 20 0 DHADHO Cc1ccnc(C2(CNC3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)c1 ZINC001171630353 1032795113 /nfs/dbraw/zinc/79/51/13/1032795113.db2.gz NMZJWLBAMGIEDJ-UHFFFAOYSA-N 1 3 315.505 3.663 20 0 DHADHO CCC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccccc1 ZINC000159042488 1018986288 /nfs/dbraw/zinc/98/62/88/1018986288.db2.gz JXMOUFTUGDMYMH-IBGZPJMESA-N 1 3 304.478 3.618 20 0 DHADHO COc1ccc2c(c1)CC[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171632231 1032796917 /nfs/dbraw/zinc/79/69/17/1032796917.db2.gz XOIKYSKEOMZFTD-UHFFFAOYSA-N 1 3 316.489 3.705 20 0 DHADHO COc1ccc2c(c1)CC[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171632231 1032796926 /nfs/dbraw/zinc/79/69/26/1032796926.db2.gz XOIKYSKEOMZFTD-UHFFFAOYSA-N 1 3 316.489 3.705 20 0 DHADHO C[C@@H](Cc1cccc(O)c1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171626031 1032805140 /nfs/dbraw/zinc/80/51/40/1032805140.db2.gz STIMRIOLQYZRAH-AWEZNQCLSA-N 1 3 304.478 3.564 20 0 DHADHO CN1C(C)(C)CC([NH2+]C2CC3(C2)CC(F)(F)C3)CC1(C)C ZINC001171625323 1032808250 /nfs/dbraw/zinc/80/82/50/1032808250.db2.gz HGGOVMRROKGQRB-UHFFFAOYSA-N 1 3 300.437 3.805 20 0 DHADHO COCCC[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(F)cc1 ZINC000635009724 1019133284 /nfs/dbraw/zinc/13/32/84/1019133284.db2.gz HTJSOUFHLUDPEZ-MSOLQXFVSA-N 1 3 322.468 3.661 20 0 DHADHO Cc1nc([C@@H]2CCCN2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000923373405 1019155060 /nfs/dbraw/zinc/15/50/60/1019155060.db2.gz OTZUELHUYMPOIH-BTFYYFJDSA-N 1 3 305.491 3.509 20 0 DHADHO CC[C@H](CN[C@H]1CCCc2cc(OC)ccc21)[NH+]1CCCC1 ZINC000347919029 1019165880 /nfs/dbraw/zinc/16/58/80/1019165880.db2.gz JYAZZDCSJUHDRM-APWZRJJASA-N 1 3 302.462 3.537 20 0 DHADHO CCc1ccc(-c2nc(CN3CC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000923483069 1019232603 /nfs/dbraw/zinc/23/26/03/1019232603.db2.gz WXIHDGZEIBANIY-HNNXBMFYSA-N 1 3 315.486 3.543 20 0 DHADHO FC(F)(F)C1CC([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000672622998 1019316499 /nfs/dbraw/zinc/31/64/99/1019316499.db2.gz MXGVIXXVHLLFKH-UHFFFAOYSA-N 1 3 304.400 3.714 20 0 DHADHO COc1cccc2c1CC[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171641928 1032839243 /nfs/dbraw/zinc/83/92/43/1032839243.db2.gz WIVCAXQTKZZONS-UHFFFAOYSA-N 1 3 316.489 3.705 20 0 DHADHO COc1cccc2c1CC[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171641928 1032839256 /nfs/dbraw/zinc/83/92/56/1032839256.db2.gz WIVCAXQTKZZONS-UHFFFAOYSA-N 1 3 316.489 3.705 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccsc2C(F)(F)F)[C@H](C)C1 ZINC000628219627 1019742607 /nfs/dbraw/zinc/74/26/07/1019742607.db2.gz SCTHELCBEWNXJT-PWSUYJOCSA-N 1 3 306.397 3.587 20 0 DHADHO CC(C)(C)c1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166141349 1019775659 /nfs/dbraw/zinc/77/56/59/1019775659.db2.gz MQYKFQMCORVXGA-RBUKOAKNSA-N 1 3 300.490 3.743 20 0 DHADHO CC(C)(C)c1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166141349 1019775676 /nfs/dbraw/zinc/77/56/76/1019775676.db2.gz MQYKFQMCORVXGA-RBUKOAKNSA-N 1 3 300.490 3.743 20 0 DHADHO C[C@@H](c1ccncc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000067716665 1019779638 /nfs/dbraw/zinc/77/96/38/1019779638.db2.gz VQIBOVFKCGHRNG-KRWDZBQOSA-N 1 3 301.478 3.731 20 0 DHADHO c1ccc2cc(OCCCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000166857091 1019830678 /nfs/dbraw/zinc/83/06/78/1019830678.db2.gz WXRAVGBZGHDZSR-WOJBJXKFSA-N 1 3 324.468 3.825 20 0 DHADHO c1ccc2cc(OCCCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000166857091 1019830692 /nfs/dbraw/zinc/83/06/92/1019830692.db2.gz WXRAVGBZGHDZSR-WOJBJXKFSA-N 1 3 324.468 3.825 20 0 DHADHO C[NH+](C)CC1CCN(Cc2ccc(SC(F)F)cc2)CC1 ZINC000727931090 1019843376 /nfs/dbraw/zinc/84/33/76/1019843376.db2.gz GVPSYMBSEPSKEI-UHFFFAOYSA-N 1 3 314.445 3.775 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1(C)C ZINC001171780349 1032866589 /nfs/dbraw/zinc/86/65/89/1032866589.db2.gz HXNGDVSKWRJEJY-CQSZACIVSA-N 1 3 304.453 3.534 20 0 DHADHO C[NH+]1C(C)(C)CC(N[C@@H]2Cc3cccc(F)c3C2)CC1(C)C ZINC001171780349 1032866606 /nfs/dbraw/zinc/86/66/06/1032866606.db2.gz HXNGDVSKWRJEJY-CQSZACIVSA-N 1 3 304.453 3.534 20 0 DHADHO COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000765786036 1020196346 /nfs/dbraw/zinc/19/63/46/1020196346.db2.gz ZEPFNEFGRNBYMK-IEBWSBKVSA-N 1 3 318.505 3.726 20 0 DHADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H](C)C1 ZINC000658165789 1020198206 /nfs/dbraw/zinc/19/82/06/1020198206.db2.gz LVBOYFJCYHEJNN-FUHIMQAGSA-N 1 3 315.505 3.708 20 0 DHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCCCC1 ZINC000658164923 1020198652 /nfs/dbraw/zinc/19/86/52/1020198652.db2.gz GRHDEQIIKZMFCD-QGZVFWFLSA-N 1 3 315.505 3.852 20 0 DHADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CC1(C)C ZINC000658167342 1020199497 /nfs/dbraw/zinc/19/94/97/1020199497.db2.gz XOZUDTIWXFUCHT-RTBURBONSA-N 1 3 315.505 3.708 20 0 DHADHO COc1ccc2ccccc2c1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922682743 1020206717 /nfs/dbraw/zinc/20/67/17/1020206717.db2.gz AYLDNJODXGQANG-MSOLQXFVSA-N 1 3 324.468 3.607 20 0 DHADHO COc1ccc2ccccc2c1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922682743 1020206724 /nfs/dbraw/zinc/20/67/24/1020206724.db2.gz AYLDNJODXGQANG-MSOLQXFVSA-N 1 3 324.468 3.607 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H](CO)CC2CC2)CC1 ZINC000658251739 1020266294 /nfs/dbraw/zinc/26/62/94/1020266294.db2.gz JXGZGWZXPJACSX-KRWDZBQOSA-N 1 3 324.553 3.664 20 0 DHADHO CO[C@H](CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C1CCCC1 ZINC000658313608 1020296065 /nfs/dbraw/zinc/29/60/65/1020296065.db2.gz DWHVGEZATDDGDR-FFZOFVMBSA-N 1 3 322.537 3.824 20 0 DHADHO CC(C)(C)c1csc(CNC2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000922847280 1020307315 /nfs/dbraw/zinc/30/73/15/1020307315.db2.gz YZXMLXOLZODIOC-UHFFFAOYSA-N 1 3 321.534 3.937 20 0 DHADHO C[C@H](CC[NH2+][C@H]1CCCNc2ccccc21)N1CCCCC1 ZINC000193281409 1020393372 /nfs/dbraw/zinc/39/33/72/1020393372.db2.gz XUBKXLACGZKPND-APWZRJJASA-N 1 3 301.478 3.788 20 0 DHADHO COc1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1Cl ZINC000628280098 1020563000 /nfs/dbraw/zinc/56/30/00/1020563000.db2.gz QAIXHGAZVMHFEA-INIZCTEOSA-N 1 3 322.880 3.512 20 0 DHADHO Cn1cccc1C[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171966157 1032939644 /nfs/dbraw/zinc/93/96/44/1032939644.db2.gz SOZNDULAXBGGEP-SFHVURJKSA-N 1 3 311.473 3.558 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)OCC2CC2)CC1 ZINC000414250444 1021032194 /nfs/dbraw/zinc/03/21/94/1021032194.db2.gz BDEJNIHHIPGXEK-VQIMIIECSA-N 1 3 322.537 3.824 20 0 DHADHO c1coc([C@@H]2C[C@H]2N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000414347873 1021118187 /nfs/dbraw/zinc/11/81/87/1021118187.db2.gz NWUPPKJAJYYVBO-PXTPFGJHSA-N 1 3 322.452 3.636 20 0 DHADHO c1coc([C@@H]2C[C@H]2N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000414347873 1021118189 /nfs/dbraw/zinc/11/81/89/1021118189.db2.gz NWUPPKJAJYYVBO-PXTPFGJHSA-N 1 3 322.452 3.636 20 0 DHADHO c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000414347873 1021118192 /nfs/dbraw/zinc/11/81/92/1021118192.db2.gz NWUPPKJAJYYVBO-PXTPFGJHSA-N 1 3 322.452 3.636 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000647552368 1021158407 /nfs/dbraw/zinc/15/84/07/1021158407.db2.gz XQFDJSBGMNFXIN-CABCVRRESA-N 1 3 316.420 3.620 20 0 DHADHO C[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CCC(C(F)(F)F)CC1 ZINC000423323190 1021174578 /nfs/dbraw/zinc/17/45/78/1021174578.db2.gz ACPGPZZFQYNBKD-XSCHDIRWSA-N 1 3 306.416 3.723 20 0 DHADHO COc1ccc2cc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)ccc2c1 ZINC000092043145 1021328363 /nfs/dbraw/zinc/32/83/63/1021328363.db2.gz SNNBDPBSWPCSTA-CTNGQTDRSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)ccc2c1 ZINC000092043145 1021328382 /nfs/dbraw/zinc/32/83/82/1021328382.db2.gz SNNBDPBSWPCSTA-CTNGQTDRSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(C[N@@H+]3CC[C@H]4[C@H](CCCN4C)C3)ccc2c1 ZINC000092043145 1021328398 /nfs/dbraw/zinc/32/83/98/1021328398.db2.gz SNNBDPBSWPCSTA-CTNGQTDRSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(C[N@H+]3CC[C@H]4[C@H](CCCN4C)C3)ccc2c1 ZINC000092043145 1021328416 /nfs/dbraw/zinc/32/84/16/1021328416.db2.gz SNNBDPBSWPCSTA-CTNGQTDRSA-N 1 3 324.468 3.765 20 0 DHADHO CSCCN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172090679 1032985166 /nfs/dbraw/zinc/98/51/66/1032985166.db2.gz VYUCTJOHTOCKHB-REPLKXPHSA-N 1 3 318.530 3.867 20 0 DHADHO CSCCN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172090679 1032985171 /nfs/dbraw/zinc/98/51/71/1032985171.db2.gz VYUCTJOHTOCKHB-REPLKXPHSA-N 1 3 318.530 3.867 20 0 DHADHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2ccncc2F)CC1 ZINC000556104878 1021527565 /nfs/dbraw/zinc/52/75/65/1021527565.db2.gz MUZZHXLAKJEJPN-OAHLLOKOSA-N 1 3 307.457 3.629 20 0 DHADHO Cc1ncsc1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000093844593 1021687414 /nfs/dbraw/zinc/68/74/14/1021687414.db2.gz JYEVCPVGGPRPIO-OAHLLOKOSA-N 1 3 321.534 3.928 20 0 DHADHO Cc1ncsc1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000093844593 1021687420 /nfs/dbraw/zinc/68/74/20/1021687420.db2.gz JYEVCPVGGPRPIO-OAHLLOKOSA-N 1 3 321.534 3.928 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCCc3c(F)cccc31)C2 ZINC001172109516 1033011453 /nfs/dbraw/zinc/01/14/53/1033011453.db2.gz HISJXDJCYMOHIX-NXEZDXNNSA-N 1 3 302.437 3.808 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCCc3c(F)cccc31)C2 ZINC001172109516 1033011466 /nfs/dbraw/zinc/01/14/66/1033011466.db2.gz HISJXDJCYMOHIX-NXEZDXNNSA-N 1 3 302.437 3.808 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(c3ccc(F)cc3)CCC1)C2 ZINC001172114344 1033019947 /nfs/dbraw/zinc/01/99/47/1033019947.db2.gz NTNQJRBGOYWUOK-BCDXTJNWSA-N 1 3 302.437 3.810 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(c3ccc(F)cc3)CCC1)C2 ZINC001172114344 1033019964 /nfs/dbraw/zinc/01/99/64/1033019964.db2.gz NTNQJRBGOYWUOK-BCDXTJNWSA-N 1 3 302.437 3.810 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCCc3c(F)cccc31)C2 ZINC001172113467 1033020122 /nfs/dbraw/zinc/02/01/22/1033020122.db2.gz HISJXDJCYMOHIX-ZTENYAIWSA-N 1 3 302.437 3.808 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCCc3c(F)cccc31)C2 ZINC001172113467 1033020134 /nfs/dbraw/zinc/02/01/34/1033020134.db2.gz HISJXDJCYMOHIX-ZTENYAIWSA-N 1 3 302.437 3.808 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](c1ccc(F)cc1)C1CC1)C2 ZINC001172118597 1033024292 /nfs/dbraw/zinc/02/42/92/1033024292.db2.gz SAIHYRUZHFCMTA-FCGDIQPGSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](c1ccc(F)cc1)C1CC1)C2 ZINC001172118597 1033024305 /nfs/dbraw/zinc/02/43/05/1033024305.db2.gz SAIHYRUZHFCMTA-FCGDIQPGSA-N 1 3 302.437 3.882 20 0 DHADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000538305404 1033029048 /nfs/dbraw/zinc/02/90/48/1033029048.db2.gz QMYABZDPZAEHIC-AZUAARDMSA-N 1 3 302.506 3.919 20 0 DHADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000538305404 1033029072 /nfs/dbraw/zinc/02/90/72/1033029072.db2.gz QMYABZDPZAEHIC-AZUAARDMSA-N 1 3 302.506 3.919 20 0 DHADHO C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2F)CCC[C@@H]1C[NH3+] ZINC001205993655 1022150417 /nfs/dbraw/zinc/15/04/17/1022150417.db2.gz IFCJDMBZRWHFGF-NWDGAFQWSA-N 1 3 318.358 3.651 20 0 DHADHO c1ccc(CN2CCCC[C@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000309887735 1022180281 /nfs/dbraw/zinc/18/02/81/1022180281.db2.gz ADFWSPNALPKXAP-UXHICEINSA-N 1 3 314.473 3.571 20 0 DHADHO CCCCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169089591 1022254967 /nfs/dbraw/zinc/25/49/67/1022254967.db2.gz DMBGGJVMXUOJEW-BCDXTJNWSA-N 1 3 302.462 3.580 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1c3ccccc3-c3ccccc31)C2 ZINC001169091809 1022256636 /nfs/dbraw/zinc/25/66/36/1022256636.db2.gz VNSVDWZURUHQOP-PHZGNYQRSA-N 1 3 304.437 3.971 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccccc3nc1[C@H]1CCCCN1)C2 ZINC001169148466 1022279994 /nfs/dbraw/zinc/27/99/94/1022279994.db2.gz ZLPMFQMFNWCCOB-MUQADHOPSA-N 1 3 324.472 3.649 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccccc3nc1[C@H]1CCCCN1)C2 ZINC001169148466 1022280007 /nfs/dbraw/zinc/28/00/07/1022280007.db2.gz ZLPMFQMFNWCCOB-MUQADHOPSA-N 1 3 324.472 3.649 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(Cl)c(C)c2)CC1 ZINC001172246547 1033067124 /nfs/dbraw/zinc/06/71/24/1033067124.db2.gz MWVJFPOGVOISOK-HNNXBMFYSA-N 1 3 324.896 3.800 20 0 DHADHO CCC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccc(F)cc1 ZINC001172246221 1033067780 /nfs/dbraw/zinc/06/77/80/1033067780.db2.gz HUIGZWOXDLZSHY-LJQANCHMSA-N 1 3 322.468 3.757 20 0 DHADHO CC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc2c(c1)CCCO2 ZINC000768108865 1022890580 /nfs/dbraw/zinc/89/05/80/1022890580.db2.gz RWHRVDDMOWCUSO-QRVBRYPASA-N 1 3 316.489 3.925 20 0 DHADHO c1ccc(SCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250540730 1023086578 /nfs/dbraw/zinc/08/65/78/1023086578.db2.gz RKUUDFRMUZXFSM-RCCFBDPRSA-N 1 3 304.503 3.679 20 0 DHADHO [NH3+]CCC[C@@H](NCc1ccnc(C(F)(F)F)c1)c1ccccc1 ZINC000925678367 1023089419 /nfs/dbraw/zinc/08/94/19/1023089419.db2.gz CYXMUAJMDZVJHI-OAHLLOKOSA-N 1 3 323.362 3.670 20 0 DHADHO CCc1noc(C)c1[C@H](C)NC1CCC([NH+]2CCCCC2)CC1 ZINC000769868531 1023221732 /nfs/dbraw/zinc/22/17/32/1023221732.db2.gz AINNQLBOYUOMCK-OOHWJJMZSA-N 1 3 319.493 3.993 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000769872685 1023236194 /nfs/dbraw/zinc/23/61/94/1023236194.db2.gz HMCDSWKYYWZWRH-LBPRGKRZSA-N 1 3 319.424 3.597 20 0 DHADHO CC[C@H](C)OCC[C@H](C)[NH+]1CCC(N)(c2ccccc2F)CC1 ZINC001172341439 1033125973 /nfs/dbraw/zinc/12/59/73/1033125973.db2.gz ZXJZUKAOWBTMLM-HOTGVXAUSA-N 1 3 322.468 3.669 20 0 DHADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660661317 1023367426 /nfs/dbraw/zinc/36/74/26/1023367426.db2.gz ZZWMIUIRKAYQMN-KBXCAEBGSA-N 1 3 324.415 3.767 20 0 DHADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660661317 1023367434 /nfs/dbraw/zinc/36/74/34/1023367434.db2.gz ZZWMIUIRKAYQMN-KBXCAEBGSA-N 1 3 324.415 3.767 20 0 DHADHO [NH3+]CCC[C@H](NCc1cnccc1C(F)(F)F)c1ccccc1 ZINC000925715949 1023376405 /nfs/dbraw/zinc/37/64/05/1023376405.db2.gz LEEVESOVZFSMSF-INIZCTEOSA-N 1 3 323.362 3.670 20 0 DHADHO C[NH+]1CCC(C)(CN[C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651757975 1023521315 /nfs/dbraw/zinc/52/13/15/1023521315.db2.gz JTSZXOIEXSTRDN-CQSZACIVSA-N 1 3 310.844 3.788 20 0 DHADHO FCC[C@@H]1CCCN(CCC[N@@H+]2CCC[C@@H](CCF)C2)C1 ZINC000661690134 1023687292 /nfs/dbraw/zinc/68/72/92/1023687292.db2.gz JPEWVJPYTKCDFC-IRXDYDNUSA-N 1 3 302.453 3.520 20 0 DHADHO FCC[C@@H]1CCCN(CCC[N@H+]2CCC[C@@H](CCF)C2)C1 ZINC000661690134 1023687298 /nfs/dbraw/zinc/68/72/98/1023687298.db2.gz JPEWVJPYTKCDFC-IRXDYDNUSA-N 1 3 302.453 3.520 20 0 DHADHO CC[C@H](CC(C)C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001172394432 1033177961 /nfs/dbraw/zinc/17/79/61/1033177961.db2.gz UCKKCVVUGLGFFC-LJQANCHMSA-N 1 3 303.494 3.708 20 0 DHADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(O)c1 ZINC000194837367 1024016017 /nfs/dbraw/zinc/01/60/17/1024016017.db2.gz LADBYKDDJLXGNG-INIZCTEOSA-N 1 3 310.441 3.839 20 0 DHADHO C[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297403 1024081091 /nfs/dbraw/zinc/08/10/91/1024081091.db2.gz PILWDCNAOSYJFL-DZGCQCFKSA-N 1 3 308.416 3.737 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc(C)c(OC)c(Cl)c2)C1 ZINC000796694470 1024129439 /nfs/dbraw/zinc/12/94/39/1024129439.db2.gz KQBAAGZDTXLNFD-ZIAGYGMSSA-N 1 3 310.869 3.649 20 0 DHADHO c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000193508284 1024160973 /nfs/dbraw/zinc/16/09/73/1024160973.db2.gz CFQAQAQFVGIFBJ-HNNXBMFYSA-N 1 3 304.437 3.830 20 0 DHADHO c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000193508293 1024161295 /nfs/dbraw/zinc/16/12/95/1024161295.db2.gz CFQAQAQFVGIFBJ-OAHLLOKOSA-N 1 3 304.437 3.830 20 0 DHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCc3ccc(O)cc3)CC2)C1 ZINC000268841713 1024176295 /nfs/dbraw/zinc/17/62/95/1024176295.db2.gz ZRGNBIHAYUGVAQ-LPHOPBHVSA-N 1 3 316.489 3.567 20 0 DHADHO CC(C)OCC[C@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172436412 1033197980 /nfs/dbraw/zinc/19/79/80/1033197980.db2.gz AWQIJGJTCIKVNZ-KRWDZBQOSA-N 1 3 310.526 3.824 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H](CO)CCC(C)(C)C)CC2)C1 ZINC000475682591 1024313147 /nfs/dbraw/zinc/31/31/47/1024313147.db2.gz SKSARVAQRQTKHS-BHIYHBOVSA-N 1 3 324.553 3.806 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H](CO)CCC(C)(C)C)CC2)C1 ZINC000475682591 1024313162 /nfs/dbraw/zinc/31/31/62/1024313162.db2.gz SKSARVAQRQTKHS-BHIYHBOVSA-N 1 3 324.553 3.806 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CCCc2cccnc2)C1 ZINC000453115936 1024344067 /nfs/dbraw/zinc/34/40/67/1024344067.db2.gz XIVRQGRTNJQQKO-IEBWSBKVSA-N 1 3 303.494 3.503 20 0 DHADHO CSC(C)(C)CC[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000877007568 1033205306 /nfs/dbraw/zinc/20/53/06/1033205306.db2.gz WHHCHCXOLAXUOG-GOSISDBHSA-N 1 3 320.546 3.672 20 0 DHADHO C[C@H](CCCc1cccnc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000453192162 1024393778 /nfs/dbraw/zinc/39/37/78/1024393778.db2.gz JAMCSUJVBZDWLB-MSOLQXFVSA-N 1 3 303.494 3.647 20 0 DHADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467971 1024406112 /nfs/dbraw/zinc/40/61/12/1024406112.db2.gz JCJVDOYKZJKWQB-JENIJYKNSA-N 1 3 300.490 3.890 20 0 DHADHO C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466962 1024409548 /nfs/dbraw/zinc/40/95/48/1024409548.db2.gz CESVIKNITISCLE-FXAWDEMLSA-N 1 3 300.490 3.719 20 0 DHADHO Fc1cccc(C2CC([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)c1 ZINC000663466707 1024412513 /nfs/dbraw/zinc/41/25/13/1024412513.db2.gz XFYQCSNYOYOFQT-PPDQVPDSSA-N 1 3 316.464 3.783 20 0 DHADHO c1ccc(C[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C2CC2)cc1 ZINC000663469289 1024417172 /nfs/dbraw/zinc/41/71/72/1024417172.db2.gz PNQYYDHUNSBOBU-PZJWPPBQSA-N 1 3 312.501 3.719 20 0 DHADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883438873 1024435836 /nfs/dbraw/zinc/43/58/36/1024435836.db2.gz DXZCWSCHHAHTND-GGPKGHCWSA-N 1 3 316.489 3.604 20 0 DHADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883438873 1024435842 /nfs/dbraw/zinc/43/58/42/1024435842.db2.gz DXZCWSCHHAHTND-GGPKGHCWSA-N 1 3 316.489 3.604 20 0 DHADHO c1ccc([C@H](C[C@@H]2CCOC2)NCCC[NH+]2CCCCC2)cc1 ZINC000166026906 1024445993 /nfs/dbraw/zinc/44/59/93/1024445993.db2.gz CWAFIVCZPWXPHD-ICSRJNTNSA-N 1 3 316.489 3.620 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Cl)s1 ZINC000925784342 1024508934 /nfs/dbraw/zinc/50/89/34/1024508934.db2.gz QXLJZYICOGPKPU-ZJUUUORDSA-N 1 3 308.825 3.687 20 0 DHADHO C[N@H+](CCCCN[C@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000453398002 1024498217 /nfs/dbraw/zinc/49/82/17/1024498217.db2.gz KFPYTVLSARPBQZ-HXUWFJFHSA-N 1 3 309.457 3.635 20 0 DHADHO C[N@@H+](CCCCN[C@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000453398002 1024498222 /nfs/dbraw/zinc/49/82/22/1024498222.db2.gz KFPYTVLSARPBQZ-HXUWFJFHSA-N 1 3 309.457 3.635 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179934 1025038571 /nfs/dbraw/zinc/03/85/71/1025038571.db2.gz ODTNXHCWCVUVFE-PZJWPPBQSA-N 1 3 308.469 3.902 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179934 1025038584 /nfs/dbraw/zinc/03/85/84/1025038584.db2.gz ODTNXHCWCVUVFE-PZJWPPBQSA-N 1 3 308.469 3.902 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179934 1025038597 /nfs/dbraw/zinc/03/85/97/1025038597.db2.gz ODTNXHCWCVUVFE-PZJWPPBQSA-N 1 3 308.469 3.902 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2c(C)oc3ccccc32)[C@@H](C)C1 ZINC000353746082 1025226291 /nfs/dbraw/zinc/22/62/91/1025226291.db2.gz KTIZPJQOGGXOQD-KSSFIOAISA-N 1 3 300.446 3.903 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2c(C)oc3ccccc32)[C@@H](C)C1 ZINC000353746082 1025226301 /nfs/dbraw/zinc/22/63/01/1025226301.db2.gz KTIZPJQOGGXOQD-KSSFIOAISA-N 1 3 300.446 3.903 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@H]2CCCc3sccc32)c1 ZINC000123682564 1025395666 /nfs/dbraw/zinc/39/56/66/1025395666.db2.gz HLYFLUGTWVAOSK-KRWDZBQOSA-N 1 3 300.471 3.977 20 0 DHADHO C[C@@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)CN1CCCCC1 ZINC000885927131 1025408256 /nfs/dbraw/zinc/40/82/56/1025408256.db2.gz NLQLOSVCETWJQC-ROUUACIJSA-N 1 3 308.510 3.580 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885969536 1025424451 /nfs/dbraw/zinc/42/44/51/1025424451.db2.gz VRCVJSFTQBZZRC-MSOLQXFVSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H](CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)N1CCCCC1 ZINC000886062485 1025460718 /nfs/dbraw/zinc/46/07/18/1025460718.db2.gz PXTNUKVLXLARLN-ZWKOTPCHSA-N 1 3 308.510 3.722 20 0 DHADHO CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)s1 ZINC000125740176 1025492379 /nfs/dbraw/zinc/49/23/79/1025492379.db2.gz NKZSGUDNBOEKCI-ZFWWWQNUSA-N 1 3 309.523 3.785 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(OC)cc1 ZINC000125827742 1025494878 /nfs/dbraw/zinc/49/48/78/1025494878.db2.gz VTPCHBFBEFTRGS-VQIMIIECSA-N 1 3 304.478 3.856 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@]2(C)CCOC3(CCC3)C2)CC1 ZINC000886774138 1025894044 /nfs/dbraw/zinc/89/40/44/1025894044.db2.gz ILBVHZKVTNXGKH-GOSISDBHSA-N 1 3 308.510 3.578 20 0 DHADHO [NH3+]C1(c2cccc(C(F)(F)F)c2)CCN([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918755 1026083917 /nfs/dbraw/zinc/08/39/17/1026083917.db2.gz MDSNOMYWDSMWCM-VIKVFOODSA-N 1 3 324.390 3.754 20 0 DHADHO COCCC[C@@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000290158823 1026122717 /nfs/dbraw/zinc/12/27/17/1026122717.db2.gz LUCCKZRXQPQIGT-QUCCMNQESA-N 1 3 318.505 3.693 20 0 DHADHO CCCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000289863738 1026206123 /nfs/dbraw/zinc/20/61/23/1026206123.db2.gz VLXAWBJGTSFTHL-JWTNVVGKSA-N 1 3 302.462 3.532 20 0 DHADHO CCCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000289863738 1026206137 /nfs/dbraw/zinc/20/61/37/1026206137.db2.gz VLXAWBJGTSFTHL-JWTNVVGKSA-N 1 3 302.462 3.532 20 0 DHADHO Oc1cccc2sc(CNC3CC[NH+](C4CCC4)CC3)cc21 ZINC000894203740 1026350036 /nfs/dbraw/zinc/35/00/36/1026350036.db2.gz FHFQDAUOVUHCJO-UHFFFAOYSA-N 1 3 316.470 3.713 20 0 DHADHO C[NH+](C)CCCC(C)(C)NCc1ccsc1Br ZINC000388740146 1026481231 /nfs/dbraw/zinc/48/12/31/1026481231.db2.gz JEGVRJAIULNYPL-UHFFFAOYSA-N 1 3 319.312 3.721 20 0 DHADHO CN1CC[C@H]([NH2+]CCOc2cccc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000513667005 1026554782 /nfs/dbraw/zinc/55/47/82/1026554782.db2.gz PBOKMEKKEKJUKM-SLFFLAALSA-N 1 3 324.468 3.681 20 0 DHADHO c1cncc([C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C2CCC2)c1 ZINC000280428133 1026652561 /nfs/dbraw/zinc/65/25/61/1026652561.db2.gz BSQYSZIIHSHGCN-FQEVSTJZSA-N 1 3 313.489 3.919 20 0 DHADHO CCN(C[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000647886114 1026679327 /nfs/dbraw/zinc/67/93/27/1026679327.db2.gz UJZVTUCPPVPYNP-OLZOCXBDSA-N 1 3 300.368 3.698 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)OC)ccc1OC ZINC000810257214 1026731013 /nfs/dbraw/zinc/73/10/13/1026731013.db2.gz NHJAWQJXLKSFFJ-OWCLPIDISA-N 1 3 322.493 3.611 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](C)[C@@H](C)OC)ccc1OC ZINC000810257212 1026731852 /nfs/dbraw/zinc/73/18/52/1026731852.db2.gz NHJAWQJXLKSFFJ-BZUAXINKSA-N 1 3 322.493 3.611 20 0 DHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000420300467 1026797049 /nfs/dbraw/zinc/79/70/49/1026797049.db2.gz HNAFAQXXPDSDIF-NVXWUHKLSA-N 1 3 316.470 3.636 20 0 DHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000420300467 1026797063 /nfs/dbraw/zinc/79/70/63/1026797063.db2.gz HNAFAQXXPDSDIF-NVXWUHKLSA-N 1 3 316.470 3.636 20 0 DHADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CC12CCSCC2 ZINC000421371934 1026967852 /nfs/dbraw/zinc/96/78/52/1026967852.db2.gz FECDMLZEAYDEIA-MRXNPFEDSA-N 1 3 322.562 3.906 20 0 DHADHO C[C@H](CN1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1cccc(Cl)c1 ZINC000561982345 1027159231 /nfs/dbraw/zinc/15/92/31/1027159231.db2.gz MNCHLBZWUNTZKZ-KYJSFNMBSA-N 1 3 306.881 3.860 20 0 DHADHO C[C@H](CN1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1cccc(Cl)c1 ZINC000561982345 1027159234 /nfs/dbraw/zinc/15/92/34/1027159234.db2.gz MNCHLBZWUNTZKZ-KYJSFNMBSA-N 1 3 306.881 3.860 20 0 DHADHO COc1ccc(F)c(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000572307019 1027191140 /nfs/dbraw/zinc/19/11/40/1027191140.db2.gz ZISBJGWWMBAFSN-HOTGVXAUSA-N 1 3 322.468 3.682 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170663431 1027191293 /nfs/dbraw/zinc/19/12/93/1027191293.db2.gz BCLIEKLAFINXDV-WMLDXEAASA-N 1 3 322.443 3.676 20 0 DHADHO CCC(CC)[N@@H+]1CC[C@H](N[C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170676678 1027267341 /nfs/dbraw/zinc/26/73/41/1027267341.db2.gz GLKKRQPHJFKLEZ-CVEARBPZSA-N 1 3 322.443 3.675 20 0 DHADHO CCC(CC)[N@H+]1CC[C@H](N[C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170676678 1027267349 /nfs/dbraw/zinc/26/73/49/1027267349.db2.gz GLKKRQPHJFKLEZ-CVEARBPZSA-N 1 3 322.443 3.675 20 0 DHADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775260 1027317866 /nfs/dbraw/zinc/31/78/66/1027317866.db2.gz AWOCTEVTKJCNFH-UAGQMJEPSA-N 1 3 321.896 3.558 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H]3CCC[C@@H]3N)cc2)cs1 ZINC000422811170 1027331495 /nfs/dbraw/zinc/33/14/95/1027331495.db2.gz VLORMYNKKNYSCV-KNXALSJPSA-N 1 3 301.459 3.649 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCCCCOc2ccc(F)cc2)c2ccccc21 ZINC000422829757 1027335079 /nfs/dbraw/zinc/33/50/79/1027335079.db2.gz HXJVHLOAZWAYPX-MOPGFXCFSA-N 1 3 314.404 3.719 20 0 DHADHO Cc1csc(CCCCN[C@@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000422911239 1027356560 /nfs/dbraw/zinc/35/65/60/1027356560.db2.gz SJAFKGFJEQLUGS-JKSUJKDBSA-N 1 3 301.459 3.509 20 0 DHADHO C[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000422922254 1027361838 /nfs/dbraw/zinc/36/18/38/1027361838.db2.gz SIPSWSXQTHQWQV-RDCBPCMLSA-N 1 3 308.425 3.674 20 0 DHADHO Cc1cccc(-c2ccc(CN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2)c1 ZINC000422965727 1027372893 /nfs/dbraw/zinc/37/28/93/1027372893.db2.gz LVPODBPFBPFTLB-TYCQWZJGSA-N 1 3 324.468 3.504 20 0 DHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccccc1C(C)(C)[NH3+] ZINC001170685887 1027381713 /nfs/dbraw/zinc/38/17/13/1027381713.db2.gz JFQJWWPFALGJID-AWEZNQCLSA-N 1 3 320.440 3.753 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423018240 1027391050 /nfs/dbraw/zinc/39/10/50/1027391050.db2.gz QMAVOIABMMFODS-QVKFZJNVSA-N 1 3 323.484 3.794 20 0 DHADHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000423006591 1027391617 /nfs/dbraw/zinc/39/16/17/1027391617.db2.gz VZAITAHFTWIFRE-RTBURBONSA-N 1 3 314.404 3.630 20 0 DHADHO CN1CCCC[C@@H]1CC[NH+]1CCC(Sc2ccccn2)CC1 ZINC000362821925 1027400578 /nfs/dbraw/zinc/40/05/78/1027400578.db2.gz BLTXNKFWVDYTFP-MRXNPFEDSA-N 1 3 319.518 3.513 20 0 DHADHO Cc1ccccc1[C@H]([C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21)N(C)C ZINC000423060292 1027403880 /nfs/dbraw/zinc/40/38/80/1027403880.db2.gz OBULKWRDZYGJGQ-KQLYMOGASA-N 1 3 323.484 3.721 20 0 DHADHO [NH3+]C[C@H]1CCCC[C@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423096948 1027415601 /nfs/dbraw/zinc/41/56/01/1027415601.db2.gz QCPGJTGYJNLFCZ-ZCHDIUTGSA-N 1 3 310.844 3.774 20 0 DHADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423096948 1027415608 /nfs/dbraw/zinc/41/56/08/1027415608.db2.gz QCPGJTGYJNLFCZ-ZCHDIUTGSA-N 1 3 310.844 3.774 20 0 DHADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000423119355 1027416888 /nfs/dbraw/zinc/41/68/88/1027416888.db2.gz CFCPVTLBRBNEFM-ARFHVFGLSA-N 1 3 314.395 3.657 20 0 DHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423128338 1027420793 /nfs/dbraw/zinc/42/07/93/1027420793.db2.gz VRYBLYAREPLQCN-NBYUQASBSA-N 1 3 316.489 3.807 20 0 DHADHO COc1ccc([C@H](Cc2ccccc2)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423126635 1027421453 /nfs/dbraw/zinc/42/14/53/1027421453.db2.gz SBFMFYDZNNZIBY-GUXCAODWSA-N 1 3 312.457 3.694 20 0 DHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000423150627 1027432236 /nfs/dbraw/zinc/43/22/36/1027432236.db2.gz BMUSHRMEJLFITA-MSNYOWOLSA-N 1 3 323.278 3.712 20 0 DHADHO Cc1cccnc1C(C)(C)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423142446 1027434780 /nfs/dbraw/zinc/43/47/80/1027434780.db2.gz VFRJOIPIZPMWTR-SJORKVTESA-N 1 3 303.494 3.568 20 0 DHADHO Cc1cccnc1C(C)(C)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423142444 1027435083 /nfs/dbraw/zinc/43/50/83/1027435083.db2.gz VFRJOIPIZPMWTR-IAGOWNOFSA-N 1 3 303.494 3.568 20 0 DHADHO CC[C@@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423173109 1027437989 /nfs/dbraw/zinc/43/79/89/1027437989.db2.gz WXZUPYLHUTXEHU-SVFBPWRDSA-N 1 3 322.452 3.983 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000423291184 1027485498 /nfs/dbraw/zinc/48/54/98/1027485498.db2.gz HECBZNWWEKDMQT-FZKQIMNGSA-N 1 3 314.404 3.849 20 0 DHADHO CCC(N)(CC)C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423291311 1027487419 /nfs/dbraw/zinc/48/74/19/1027487419.db2.gz HUJHVERJNMDHOH-SJORKVTESA-N 1 3 324.896 3.537 20 0 DHADHO CC(C)[C@@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423274519 1027493673 /nfs/dbraw/zinc/49/36/73/1027493673.db2.gz MEAVOFMKNXFWQE-LSDHHAIUSA-N 1 3 315.486 3.760 20 0 DHADHO CC(C)[C@H](N)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423280062 1027494525 /nfs/dbraw/zinc/49/45/25/1027494525.db2.gz SSOSPEVNVQZZJE-HUUCEWRRSA-N 1 3 300.368 3.729 20 0 DHADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(-c2ccccc2F)s1 ZINC000423311630 1027497053 /nfs/dbraw/zinc/49/70/53/1027497053.db2.gz CCVQZENGQYHHKH-XHDPSFHLSA-N 1 3 304.434 3.942 20 0 DHADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423314848 1027497459 /nfs/dbraw/zinc/49/74/59/1027497459.db2.gz HYWHMLHMYAZOPV-ABAIWWIYSA-N 1 3 304.434 3.942 20 0 DHADHO FC(F)(F)c1cccc(C2CCC([NH2+]CC3CNC3)CC2)c1 ZINC000423313553 1027497571 /nfs/dbraw/zinc/49/75/71/1027497571.db2.gz FUZZOCYGRUTFQA-UHFFFAOYSA-N 1 3 312.379 3.541 20 0 DHADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423313874 1027497780 /nfs/dbraw/zinc/49/77/80/1027497780.db2.gz GFVWJMDVXQEJKA-LIRRHRJNSA-N 1 3 310.441 3.750 20 0 DHADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423294569 1027500964 /nfs/dbraw/zinc/50/09/64/1027500964.db2.gz UVZRKXSJJQMKJL-ZIAGYGMSSA-N 1 3 311.429 3.516 20 0 DHADHO CCCC[C@H](C[NH3+])N[C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423297555 1027502708 /nfs/dbraw/zinc/50/27/08/1027502708.db2.gz KVBPLHHSSDZPRJ-BFHYXJOUSA-N 1 3 305.491 3.895 20 0 DHADHO CCCC[C@H](C[NH3+])N[C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423297557 1027504768 /nfs/dbraw/zinc/50/47/68/1027504768.db2.gz KVBPLHHSSDZPRJ-MELADBBJSA-N 1 3 305.491 3.895 20 0 DHADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423369379 1027524547 /nfs/dbraw/zinc/52/45/47/1027524547.db2.gz BVURZJLYQJCOHD-IOASZLSFSA-N 1 3 314.395 3.757 20 0 DHADHO C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000423365451 1027524810 /nfs/dbraw/zinc/52/48/10/1027524810.db2.gz BUDOOVHMWXKHDZ-FPFYIXPZSA-N 1 3 316.489 3.693 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423382670 1027528759 /nfs/dbraw/zinc/52/87/59/1027528759.db2.gz DSZOKBNHGGMSES-JQHSSLGASA-N 1 3 314.498 3.928 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423382670 1027528770 /nfs/dbraw/zinc/52/87/70/1027528770.db2.gz DSZOKBNHGGMSES-JQHSSLGASA-N 1 3 314.498 3.928 20 0 DHADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423382106 1027528920 /nfs/dbraw/zinc/52/89/20/1027528920.db2.gz DFYXTXBHYWDBAS-HDMKZQKVSA-N 1 3 313.489 3.812 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000423393099 1027535588 /nfs/dbraw/zinc/53/55/88/1027535588.db2.gz QJIUYGRVFWZHLJ-UAGQMJEPSA-N 1 3 320.477 3.795 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423444390 1027544892 /nfs/dbraw/zinc/54/48/92/1027544892.db2.gz LSUPWSVGGGQDRL-OBJOEFQTSA-N 1 3 301.459 3.513 20 0 DHADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423464523 1027554991 /nfs/dbraw/zinc/55/49/91/1027554991.db2.gz MDVVSONQQWBCJQ-KSSFIOAISA-N 1 3 316.420 3.793 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@H]1CC1(C)C ZINC000423468975 1027557391 /nfs/dbraw/zinc/55/73/91/1027557391.db2.gz KCDWLEONPQHZKT-OXXUSNJHSA-N 1 3 304.453 3.543 20 0 DHADHO C[C@H](NCCC[NH2+]C1CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423518997 1027577837 /nfs/dbraw/zinc/57/78/37/1027577837.db2.gz CXHNALMXNKNPJB-STQMWFEESA-N 1 3 303.475 3.520 20 0 DHADHO Cl/C=C/CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000813370802 1027622833 /nfs/dbraw/zinc/62/28/33/1027622833.db2.gz LHDZUBZPECZINB-ONNFQVAWSA-N 1 3 304.865 3.727 20 0 DHADHO CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]34)C[C@@H]21 ZINC001170716447 1027783376 /nfs/dbraw/zinc/78/33/76/1027783376.db2.gz UEDIMXVRPIRGJB-OWQNAKTJSA-N 1 3 324.512 3.921 20 0 DHADHO CC1(C)[C@@H]2C[C@H]([NH2+]C3CCN(C[C@@H]4CC=CCC4)CC3)C[C@@H]21 ZINC001170739088 1028006253 /nfs/dbraw/zinc/00/62/53/1028006253.db2.gz NWXBJDXNIJHLIL-OQIJWPOYSA-N 1 3 302.506 3.831 20 0 DHADHO C[C@H](Cn1ccnc1)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449079219 1028341350 /nfs/dbraw/zinc/34/13/50/1028341350.db2.gz XWXJGDRQVMFEAQ-MRXNPFEDSA-N 1 3 320.525 3.540 20 0 DHADHO CC(C)C[C@@H](CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449092413 1028365701 /nfs/dbraw/zinc/36/57/01/1028365701.db2.gz LZPGUOMJKGGPEA-KRWDZBQOSA-N 1 3 312.542 3.662 20 0 DHADHO C/C=C\C[C@@H](CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449250805 1028474515 /nfs/dbraw/zinc/47/45/15/1028474515.db2.gz PZDSEIKDBDKGCU-QWPQOLDESA-N 1 3 310.526 3.582 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@H]3OCCC[C@H]23)CC1 ZINC000449267593 1028494561 /nfs/dbraw/zinc/49/45/61/1028494561.db2.gz AEHSHLPJLBPCDB-KZNAEPCWSA-N 1 3 322.537 3.823 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccccc1)c1cncc(F)c1 ZINC000369854751 1028539156 /nfs/dbraw/zinc/53/91/56/1028539156.db2.gz ZVWBRAZLDHFANZ-QOKNQOGYSA-N 1 3 313.420 3.564 20 0 DHADHO COc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc2ccccc21 ZINC000449330226 1028542126 /nfs/dbraw/zinc/54/21/26/1028542126.db2.gz KMWDJGPBFDBNGA-KXBFYZLASA-N 1 3 312.457 3.620 20 0 DHADHO COc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc2ccccc21 ZINC000449330226 1028542140 /nfs/dbraw/zinc/54/21/40/1028542140.db2.gz KMWDJGPBFDBNGA-KXBFYZLASA-N 1 3 312.457 3.620 20 0 DHADHO COC1(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCCC1 ZINC000449345783 1028559207 /nfs/dbraw/zinc/55/92/07/1028559207.db2.gz JUZICOXPBFRDHU-SJLPKXTDSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCC(C)(F)F)CC1 ZINC000449354039 1028588093 /nfs/dbraw/zinc/58/80/93/1028588093.db2.gz JNKNVFAXNBRBAK-OAHLLOKOSA-N 1 3 310.432 3.717 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@]2(C)CCCS2)C1 ZINC000628156280 1028909161 /nfs/dbraw/zinc/90/91/61/1028909161.db2.gz KDMATFAJHSQQTL-KURKYZTESA-N 1 3 310.551 3.859 20 0 DHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@]2(C)CCCS2)C1 ZINC000628156280 1028909170 /nfs/dbraw/zinc/90/91/70/1028909170.db2.gz KDMATFAJHSQQTL-KURKYZTESA-N 1 3 310.551 3.859 20 0 DHADHO [NH3+]C[C@H]1CC[C@H](NCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000569199919 1029192894 /nfs/dbraw/zinc/19/28/94/1029192894.db2.gz ARCXAJZKJHPTQT-FZMZJTMJSA-N 1 3 321.877 3.681 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccc3sccc3c2)[C@@H]2CCC[C@@H]21 ZINC000569892576 1029281688 /nfs/dbraw/zinc/28/16/88/1029281688.db2.gz PXKJIWUZMVGQTR-ULQDDVLXSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccc3sccc3c2)[C@@H]2CCC[C@@H]21 ZINC000569892576 1029281703 /nfs/dbraw/zinc/28/17/03/1029281703.db2.gz PXKJIWUZMVGQTR-ULQDDVLXSA-N 1 3 300.471 3.864 20 0 DHADHO NC1(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CCC1 ZINC000817964610 1029302198 /nfs/dbraw/zinc/30/21/98/1029302198.db2.gz FWDGAEBBRZCOGZ-CQSZACIVSA-N 1 3 312.429 3.850 20 0 DHADHO C[C@H](C[NH3+])CN[C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817961794 1029302508 /nfs/dbraw/zinc/30/25/08/1029302508.db2.gz CLFDFAKEYJBGEG-YGRLFVJLSA-N 1 3 300.418 3.563 20 0 DHADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccnc(Cl)c1 ZINC000817982678 1029320833 /nfs/dbraw/zinc/32/08/33/1029320833.db2.gz VJABNZPGNPSQKB-BBRMVZONSA-N 1 3 303.837 3.866 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629514235 1029352163 /nfs/dbraw/zinc/35/21/63/1029352163.db2.gz LBGNRMHSEDMSDR-NIKGAXFTSA-N 1 3 309.457 3.692 20 0 DHADHO Cc1cncc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000629527929 1029358949 /nfs/dbraw/zinc/35/89/49/1029358949.db2.gz JTKYTMGFBQMFEN-NHCUHLMSSA-N 1 3 323.484 3.562 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)cc1CN1CCCCC1 ZINC000818355922 1029382719 /nfs/dbraw/zinc/38/27/19/1029382719.db2.gz LBKGHDOSNVFEKI-HNAYVOBHSA-N 1 3 314.473 3.884 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CCc3cccc(F)c3C2)C1 ZINC001170948500 1029733668 /nfs/dbraw/zinc/73/36/68/1029733668.db2.gz HMUQJCJUGCOCGL-JZXOWHBKSA-N 1 3 318.480 3.641 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCc3cccc(F)c3C2)C1 ZINC001170948500 1029733674 /nfs/dbraw/zinc/73/36/74/1029733674.db2.gz HMUQJCJUGCOCGL-JZXOWHBKSA-N 1 3 318.480 3.641 20 0 DHADHO FC1(F)CC(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000450982626 1029759323 /nfs/dbraw/zinc/75/93/23/1029759323.db2.gz MHROYMSBZAYVCK-SFHVURJKSA-N 1 3 320.427 3.630 20 0 DHADHO FC1(F)CC(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000450982626 1029759329 /nfs/dbraw/zinc/75/93/29/1029759329.db2.gz MHROYMSBZAYVCK-SFHVURJKSA-N 1 3 320.427 3.630 20 0 DHADHO Cc1[nH]c2ccc(F)cc2c1CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000530218523 1029780038 /nfs/dbraw/zinc/78/00/38/1029780038.db2.gz GQTIDHIMRZCFFB-AZUAARDMSA-N 1 3 323.415 3.892 20 0 DHADHO Cc1[nH]c2ccc(F)cc2c1CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000530218526 1029780507 /nfs/dbraw/zinc/78/05/07/1029780507.db2.gz GQTIDHIMRZCFFB-ICSRJNTNSA-N 1 3 323.415 3.892 20 0 DHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c2ccccc21 ZINC000530211595 1029784051 /nfs/dbraw/zinc/78/40/51/1029784051.db2.gz MQKNYNUARVBOQR-ZWJWXYIHSA-N 1 3 310.828 3.713 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170955055 1029785954 /nfs/dbraw/zinc/78/59/54/1029785954.db2.gz DCGFWKIOZRCXDE-DOTOQJQBSA-N 1 3 304.453 3.537 20 0 DHADHO C1CC([C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@@H]2CCOC2)C1 ZINC000865759851 1030008799 /nfs/dbraw/zinc/00/87/99/1030008799.db2.gz SPNGGIRMOVFFRK-YLJYHZDGSA-N 1 3 320.521 3.578 20 0 DHADHO C[NH+](C)C1(C)CCC(NCc2coc(-c3ccccc3)n2)CC1 ZINC000865765685 1030013835 /nfs/dbraw/zinc/01/38/35/1030013835.db2.gz HDGTVYKPUGGARU-UHFFFAOYSA-N 1 3 313.445 3.694 20 0 DHADHO c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000557277955 1030079475 /nfs/dbraw/zinc/07/94/75/1030079475.db2.gz XCEVICRILBAPSH-BHIFYINESA-N 1 3 324.512 3.959 20 0 DHADHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924628565 1030146653 /nfs/dbraw/zinc/14/66/53/1030146653.db2.gz JSMGEWPKEWTOJX-INIZCTEOSA-N 1 3 318.505 3.685 20 0 DHADHO C[C@@H]1CCC[N@H+](CCCCN[C@@H]2CCc3c2nccc3Cl)C1 ZINC000924684247 1030157562 /nfs/dbraw/zinc/15/75/62/1030157562.db2.gz DGFCNWCDCNOUNK-RHSMWYFYSA-N 1 3 321.896 3.824 20 0 DHADHO C[C@@H]1CCC[N@@H+](CCCCN[C@@H]2CCc3c2nccc3Cl)C1 ZINC000924684247 1030157570 /nfs/dbraw/zinc/15/75/70/1030157570.db2.gz DGFCNWCDCNOUNK-RHSMWYFYSA-N 1 3 321.896 3.824 20 0 DHADHO Cc1noc(C)c1[C@H](C)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000924685248 1030157979 /nfs/dbraw/zinc/15/79/79/1030157979.db2.gz OGPRXLKRQSSIKH-KKUMJFAQSA-N 1 3 307.482 3.700 20 0 DHADHO C[C@@H](NCc1ccc([C@H](C)O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924760336 1030178281 /nfs/dbraw/zinc/17/82/81/1030178281.db2.gz BDELPKNMHFVQOD-CVEARBPZSA-N 1 3 312.457 3.652 20 0 DHADHO C[N@H+]1CC=C(CN[C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866314805 1030224993 /nfs/dbraw/zinc/22/49/93/1030224993.db2.gz PFTZWGAEFFUKRH-NRFANRHFSA-N 1 3 321.468 3.607 20 0 DHADHO C[N@@H+]1CC=C(CN[C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866314805 1030224998 /nfs/dbraw/zinc/22/49/98/1030224998.db2.gz PFTZWGAEFFUKRH-NRFANRHFSA-N 1 3 321.468 3.607 20 0 DHADHO Cc1nc(-c2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)o2)cs1 ZINC000358023913 1030286272 /nfs/dbraw/zinc/28/62/72/1030286272.db2.gz YQOWRISZULXGRE-TYNCELHUSA-N 1 3 319.474 3.530 20 0 DHADHO [NH3+]CCC[C@@H](NCc1ccccc1OC(F)F)c1ccccc1 ZINC000925518137 1030383313 /nfs/dbraw/zinc/38/33/13/1030383313.db2.gz XNEKAWLGGWZSCH-MRXNPFEDSA-N 1 3 320.383 3.858 20 0 DHADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925536712 1030392594 /nfs/dbraw/zinc/39/25/94/1030392594.db2.gz QPIYARMKYNPYTN-QXSJWSMHSA-N 1 3 318.427 3.865 20 0 DHADHO Cc1cccc2c1OCC[C@H]2N[C@H](CCC[NH3+])c1ccccc1 ZINC000925546654 1030395572 /nfs/dbraw/zinc/39/55/72/1030395572.db2.gz LYRCGZGILDDVDB-RTBURBONSA-N 1 3 310.441 3.888 20 0 DHADHO [NH3+]CCC[C@@H](N[C@H]1CCOc2c(F)cccc21)c1ccccc1 ZINC000925643786 1030432881 /nfs/dbraw/zinc/43/28/81/1030432881.db2.gz HVBMINYNVIBOLE-MSOLQXFVSA-N 1 3 314.404 3.719 20 0 DHADHO C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc2ncsc2c1 ZINC000925641960 1030433094 /nfs/dbraw/zinc/43/30/94/1030433094.db2.gz DNFAYHWNXNFMIN-IACUBPJLSA-N 1 3 303.475 3.853 20 0 DHADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925655075 1030439992 /nfs/dbraw/zinc/43/99/92/1030439992.db2.gz JDCBFIKLJNYHJU-SBLOQVJPSA-N 1 3 304.865 3.705 20 0 DHADHO FC1(F)CCC[C@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925661927 1030445956 /nfs/dbraw/zinc/44/59/56/1030445956.db2.gz FQPOYGRKEVYNHC-CWRNSKLLSA-N 1 3 300.437 3.570 20 0 DHADHO FC1(F)CCC[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925661930 1030446381 /nfs/dbraw/zinc/44/63/81/1030446381.db2.gz FQPOYGRKEVYNHC-NUEKZKHPSA-N 1 3 300.437 3.570 20 0 DHADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](c3ccccc3Cl)C1)[NH2+]2 ZINC000925677049 1030451513 /nfs/dbraw/zinc/45/15/13/1030451513.db2.gz VKKKCUSVXCXOQQ-WZFAXLERSA-N 1 3 304.865 3.705 20 0 DHADHO C[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925733149 1030468957 /nfs/dbraw/zinc/46/89/57/1030468957.db2.gz SXHGGXMRUSEILX-UHTWSYAYSA-N 1 3 315.383 3.657 20 0 DHADHO CCC1([NH3+])CCN([C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000925757462 1030482348 /nfs/dbraw/zinc/48/23/48/1030482348.db2.gz HDEQLHZPWCLRNB-ZWKOTPCHSA-N 1 3 316.489 3.574 20 0 DHADHO CCC1([NH3+])CCN([C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000925757909 1030485176 /nfs/dbraw/zinc/48/51/76/1030485176.db2.gz WGGMQSHIJWLZCK-KGLIPLIRSA-N 1 3 317.502 3.992 20 0 DHADHO CC(C)[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc2ccccc2o1 ZINC000925780395 1030496058 /nfs/dbraw/zinc/49/60/58/1030496058.db2.gz FNMQHQKGPHULKD-WMLDXEAASA-N 1 3 322.399 3.964 20 0 DHADHO C[C@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1ccc2ccccc2c1 ZINC000925795772 1030500557 /nfs/dbraw/zinc/50/05/57/1030500557.db2.gz PVUWGIFHXFQJMO-JXFKEZNVSA-N 1 3 324.468 3.649 20 0 DHADHO Cc1ccc([C@@H](NCC2(C)CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000926115641 1030622511 /nfs/dbraw/zinc/62/25/11/1030622511.db2.gz WEULGBYNFZKNAW-HXUWFJFHSA-N 1 3 323.484 3.801 20 0 DHADHO Cc1cccc([C@H](NCC2(C)CC[NH+](C)CC2)c2ccccn2)c1 ZINC000926116369 1030623585 /nfs/dbraw/zinc/62/35/85/1030623585.db2.gz YNRDJYJLPUSDAG-FQEVSTJZSA-N 1 3 323.484 3.801 20 0 DHADHO Cc1cc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(C)s1 ZINC000247066048 1030673555 /nfs/dbraw/zinc/67/35/55/1030673555.db2.gz PXHBJUBTPCZTIH-DZKIICNBSA-N 1 3 324.534 3.905 20 0 DHADHO CCc1cnccc1[C@@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000359331206 1030911448 /nfs/dbraw/zinc/91/14/48/1030911448.db2.gz MIPOEJBDYJLTCH-QGZVFWFLSA-N 1 3 323.484 3.959 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261615187 1031046387 /nfs/dbraw/zinc/04/63/87/1031046387.db2.gz CQPNWHDWQFTURL-FQEVSTJZSA-N 1 3 310.441 3.533 20 0 DHADHO Cc1nc([C@H](C)NC2CCC(C)([NH+]3CCC3)CC2)c(C)s1 ZINC000927039525 1031049286 /nfs/dbraw/zinc/04/92/86/1031049286.db2.gz UYVPZRPLFOONGP-VWDMACCTSA-N 1 3 307.507 3.818 20 0 DHADHO C[C@@]1(C[NH3+])CCN(Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000261878632 1031074393 /nfs/dbraw/zinc/07/43/93/1031074393.db2.gz UJKWYLWMORXLMY-KRWDZBQOSA-N 1 3 304.434 3.725 20 0 DHADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2CCC3(CCC3)O2)CC1 ZINC000927126079 1031107649 /nfs/dbraw/zinc/10/76/49/1031107649.db2.gz VCHCKVAOBJFYGX-SFHVURJKSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](c1cccnc1)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000360222068 1031333452 /nfs/dbraw/zinc/33/34/52/1031333452.db2.gz HYIWPPDSDRYADG-QGZVFWFLSA-N 1 3 301.478 3.587 20 0 DHADHO FCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000777710212 1031393870 /nfs/dbraw/zinc/39/38/70/1031393870.db2.gz XGTPILZQJCLSOW-HKUYNNGSSA-N 1 3 302.437 3.605 20 0 DHADHO FCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000777710212 1031393885 /nfs/dbraw/zinc/39/38/85/1031393885.db2.gz XGTPILZQJCLSOW-HKUYNNGSSA-N 1 3 302.437 3.605 20 0 DHADHO CC[C@H](CCC(F)(F)F)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000872044907 1031433393 /nfs/dbraw/zinc/43/33/93/1031433393.db2.gz HHIQWWFNGSHAAS-RBSFLKMASA-N 1 3 324.431 3.587 20 0 DHADHO C[C@@H]1C[C@@H](NCCOc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379658031 1031435647 /nfs/dbraw/zinc/43/56/47/1031435647.db2.gz VEEPGROHWSDZMN-QUCCMNQESA-N 1 3 324.468 3.708 20 0 DHADHO C[C@@H]1C[C@@H](NCCOc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379658031 1031435655 /nfs/dbraw/zinc/43/56/55/1031435655.db2.gz VEEPGROHWSDZMN-QUCCMNQESA-N 1 3 324.468 3.708 20 0 DHADHO CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000872087902 1031483534 /nfs/dbraw/zinc/48/35/34/1031483534.db2.gz MDYKKMVMSLDMDN-LSDHHAIUSA-N 1 3 306.416 3.819 20 0 DHADHO CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cccc([O-])c2F)CC1 ZINC000872091258 1031487907 /nfs/dbraw/zinc/48/79/07/1031487907.db2.gz HOXMXLUCBWHXMC-CQSZACIVSA-N 1 3 308.441 3.692 20 0 DHADHO C[NH+](C)Cc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC000361112931 1031733525 /nfs/dbraw/zinc/73/35/25/1031733525.db2.gz WIZCVKJOJMFXBC-FQEVSTJZSA-N 1 3 310.441 3.621 20 0 DHADHO CC(C)(NCc1cc2c(s1)CC[NH2+]C2)c1ccc(F)cc1 ZINC000873206733 1031761591 /nfs/dbraw/zinc/76/15/91/1031761591.db2.gz LALKBNXCCGPXPB-UHFFFAOYSA-N 1 3 304.434 3.558 20 0 DHADHO CCOc1cccc([C@@H](C)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000873238354 1031770706 /nfs/dbraw/zinc/77/07/06/1031770706.db2.gz XLZAXIVHTBDABQ-OAHLLOKOSA-N 1 3 310.441 3.582 20 0 DHADHO c1cnc2cccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2c1 ZINC000873285070 1031786144 /nfs/dbraw/zinc/78/61/44/1031786144.db2.gz XMABCLSZPAZPDJ-DFQSSKMNSA-N 1 3 309.457 3.635 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCOC23CCCC3)CC1 ZINC000898111193 1031951213 /nfs/dbraw/zinc/95/12/13/1031951213.db2.gz INFOHKNLCNIYRK-NZSAHSFTSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCOC34CCCC4)CC2)C1 ZINC000898110804 1031951604 /nfs/dbraw/zinc/95/16/04/1031951604.db2.gz HDTPSTKOPZUHLJ-QRQLOZEOSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCOC34CCCC4)CC2)C1 ZINC000898110804 1031951612 /nfs/dbraw/zinc/95/16/12/1031951612.db2.gz HDTPSTKOPZUHLJ-QRQLOZEOSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(Cl)cc1Cl ZINC000044534511 1032055558 /nfs/dbraw/zinc/05/55/58/1032055558.db2.gz ZDBTWBCJGXMEGO-NWDGAFQWSA-N 1 3 301.261 3.986 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCS[C@H](C)C3)CC2)C1 ZINC000927028919 1033339363 /nfs/dbraw/zinc/33/93/63/1033339363.db2.gz BSPZCYGUADQKCB-AHCXZYCDSA-N 1 3 310.551 3.903 20 0 DHADHO Brc1ccc2c(c1)CCC[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000643522342 1033339904 /nfs/dbraw/zinc/33/99/04/1033339904.db2.gz LWUCEOUBXOGUHO-GOEBONIOSA-N 1 3 323.278 3.558 20 0 DHADHO C[C@H](Cc1c(F)cccc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC001172848719 1033420699 /nfs/dbraw/zinc/42/06/99/1033420699.db2.gz WEPFRJUFGQNQPM-CYBMUJFWSA-N 1 3 324.871 3.874 20 0 DHADHO CC[NH+](CC)C1CCC(N(C)Cc2nc3ccccc3o2)CC1 ZINC001173113539 1033547707 /nfs/dbraw/zinc/54/77/07/1033547707.db2.gz SXXITRFVROBZBK-UHFFFAOYSA-N 1 3 315.461 3.913 20 0 DHADHO CC[C@@H]1CC[C@@H](N2CCC([NH3+])(c3cccc(OC)c3)CC2)C1 ZINC001173272250 1033642868 /nfs/dbraw/zinc/64/28/68/1033642868.db2.gz UJXZLWNSPVYCLB-NVXWUHKLSA-N 1 3 302.462 3.524 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000878411395 1033694762 /nfs/dbraw/zinc/69/47/62/1033694762.db2.gz JFECUHBEMCTPRE-GVDBMIGSSA-N 1 3 322.537 3.823 20 0 DHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCC1CC1)c1ccccc1O2 ZINC000553491792 1033708554 /nfs/dbraw/zinc/70/85/54/1033708554.db2.gz PQIFHOZQZSADAV-SFHVURJKSA-N 1 3 314.473 3.754 20 0 DHADHO Cc1c(F)nccc1C[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000862284973 1033809551 /nfs/dbraw/zinc/80/95/51/1033809551.db2.gz PCAZJKLEIASMHZ-OAHLLOKOSA-N 1 3 315.436 3.529 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncc1 ZINC000174021436 1033899233 /nfs/dbraw/zinc/89/92/33/1033899233.db2.gz WHMJUMBJZSQVFU-JKSUJKDBSA-N 1 3 315.486 3.706 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccncc1 ZINC000174021436 1033899241 /nfs/dbraw/zinc/89/92/41/1033899241.db2.gz WHMJUMBJZSQVFU-JKSUJKDBSA-N 1 3 315.486 3.706 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCc2ccc(Cl)cc21 ZINC000863546588 1034126415 /nfs/dbraw/zinc/12/64/15/1034126415.db2.gz GLXQOPXJIQFIHY-SGTLLEGYSA-N 1 3 315.848 3.840 20 0 DHADHO COc1ccc(CN(CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C)cc1 ZINC000554747578 1034311310 /nfs/dbraw/zinc/31/13/10/1034311310.db2.gz PHTKDSCDOOUWKS-KRWDZBQOSA-N 1 3 304.478 3.780 20 0 DHADHO COc1ccc(CN(CC[C@@H]2CCC[N@H+]2C)C(C)(C)C)cc1 ZINC000554747578 1034311324 /nfs/dbraw/zinc/31/13/24/1034311324.db2.gz PHTKDSCDOOUWKS-KRWDZBQOSA-N 1 3 304.478 3.780 20 0 DHADHO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889098 1034394843 /nfs/dbraw/zinc/39/48/43/1034394843.db2.gz GCUVXHARBYDTIL-RHSMWYFYSA-N 1 3 321.534 3.963 20 0 DHADHO C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889098 1034394856 /nfs/dbraw/zinc/39/48/56/1034394856.db2.gz GCUVXHARBYDTIL-RHSMWYFYSA-N 1 3 321.534 3.963 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)C1 ZINC000481024491 1034557443 /nfs/dbraw/zinc/55/74/43/1034557443.db2.gz OUEIZHRNTDOOGS-AZUAARDMSA-N 1 3 300.490 3.638 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)C1 ZINC000481055970 1034571643 /nfs/dbraw/zinc/57/16/43/1034571643.db2.gz UWYYAJQTNVDPHF-HKUYNNGSSA-N 1 3 306.469 3.714 20 0 DHADHO CC(C)CN1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000186405237 1034627304 /nfs/dbraw/zinc/62/73/04/1034627304.db2.gz PBMLGVGLDJVCMS-LJQANCHMSA-N 1 3 301.478 3.643 20 0 DHADHO CCN1CC[C@@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000186838621 1034667044 /nfs/dbraw/zinc/66/70/44/1034667044.db2.gz SRXFNZMLYHERSC-VNQPRFMTSA-N 1 3 314.395 3.652 20 0 DHADHO CCCCN(CCOCC(F)F)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984531 1034747099 /nfs/dbraw/zinc/74/70/99/1034747099.db2.gz RKDQOYPOASUKET-UHFFFAOYSA-N 1 3 320.468 3.679 20 0 DHADHO CC(C)Cc1ccc(CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC001175769500 1035115213 /nfs/dbraw/zinc/11/52/13/1035115213.db2.gz RWHMYUHOWCJLFZ-GOSISDBHSA-N 1 3 323.484 3.991 20 0 DHADHO COc1ccc(OC)c([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c1 ZINC000483174229 1035235009 /nfs/dbraw/zinc/23/50/09/1035235009.db2.gz FIBPYKGCEQUUKV-KBXCAEBGSA-N 1 3 322.493 3.721 20 0 DHADHO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c1 ZINC000483174231 1035235682 /nfs/dbraw/zinc/23/56/82/1035235682.db2.gz FIBPYKGCEQUUKV-KSSFIOAISA-N 1 3 322.493 3.721 20 0 DHADHO CCc1cccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC001177668869 1035386399 /nfs/dbraw/zinc/38/63/99/1035386399.db2.gz HPNHRXMXUBREIH-QFIPXVFZSA-N 1 3 322.496 3.903 20 0 DHADHO C(CCNCc1nc2c(s1)CCCC2)CC[NH+]1CCCCC1 ZINC001177678664 1035386707 /nfs/dbraw/zinc/38/67/07/1035386707.db2.gz DBIAFPFLACECFQ-UHFFFAOYSA-N 1 3 321.534 3.768 20 0 DHADHO Cc1cc(F)ccc1[C@H](C)NCc1cc2c(s1)CC[NH2+]C2 ZINC000904389830 1035408175 /nfs/dbraw/zinc/40/81/75/1035408175.db2.gz WGNCKVBFMPILLP-LBPRGKRZSA-N 1 3 304.434 3.692 20 0 DHADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000195139711 1035415757 /nfs/dbraw/zinc/41/57/57/1035415757.db2.gz ITUNUICBRXEJTE-DOTOQJQBSA-N 1 3 300.471 3.921 20 0 DHADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000195139711 1035415759 /nfs/dbraw/zinc/41/57/59/1035415759.db2.gz ITUNUICBRXEJTE-DOTOQJQBSA-N 1 3 300.471 3.921 20 0 DHADHO Cc1ccc(C)c(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904476973 1035418391 /nfs/dbraw/zinc/41/83/91/1035418391.db2.gz VQRGDWKUFKIRBJ-PZJWPPBQSA-N 1 3 322.452 3.649 20 0 DHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)CC(C)C)CC1 ZINC001178272319 1035419873 /nfs/dbraw/zinc/41/98/73/1035419873.db2.gz OYRJTQPAXBPVTL-GOSISDBHSA-N 1 3 317.521 3.743 20 0 DHADHO CC[C@@H]1CCC[C@H](CN[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC001179636385 1035489039 /nfs/dbraw/zinc/48/90/39/1035489039.db2.gz DTWPQFDLMWOLDJ-AOIWGVFYSA-N 1 3 303.494 3.880 20 0 DHADHO CO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000494517267 1035604724 /nfs/dbraw/zinc/60/47/24/1035604724.db2.gz ZAFQZUZFOUXDIV-JCHJZTRSSA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@@H]1CCCC[C@H]1[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000494517267 1035604731 /nfs/dbraw/zinc/60/47/31/1035604731.db2.gz ZAFQZUZFOUXDIV-JCHJZTRSSA-N 1 3 308.510 3.577 20 0 DHADHO Cc1c([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)cnn1C(C)C ZINC000191293457 1035676217 /nfs/dbraw/zinc/67/62/17/1035676217.db2.gz JBMYONVELIXSPT-RHSMWYFYSA-N 1 3 308.514 3.789 20 0 DHADHO Cc1c([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)cnn1C(C)C ZINC000191500025 1035695201 /nfs/dbraw/zinc/69/52/01/1035695201.db2.gz PCVRFJUYESKANT-OAHLLOKOSA-N 1 3 306.498 3.545 20 0 DHADHO C[C@H](CC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)N1CCCCC1 ZINC001180812438 1035767700 /nfs/dbraw/zinc/76/77/00/1035767700.db2.gz ZTVSRQPRKNGLMU-IXDOHACOSA-N 1 3 310.526 3.823 20 0 DHADHO C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2cnc([C@@H]3CCCN3)nc2)c1 ZINC000906157624 1035779879 /nfs/dbraw/zinc/77/98/79/1035779879.db2.gz FYQMGNRAXIEKNN-BEFAXECRSA-N 1 3 322.456 3.552 20 0 DHADHO C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cnc([C@@H]3CCCN3)nc2)c1 ZINC000906157624 1035779894 /nfs/dbraw/zinc/77/98/94/1035779894.db2.gz FYQMGNRAXIEKNN-BEFAXECRSA-N 1 3 322.456 3.552 20 0 DHADHO C[C@@H](CCOCc1ccccc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC001181427273 1035908880 /nfs/dbraw/zinc/90/88/80/1035908880.db2.gz LLLZCKUSBOZOQZ-SFHVURJKSA-N 1 3 318.505 3.693 20 0 DHADHO Cc1cc([C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)ccc1F ZINC000540261981 1036026588 /nfs/dbraw/zinc/02/65/88/1036026588.db2.gz UPIQQPCPEPXDJC-IFXJQAMLSA-N 1 3 302.437 3.659 20 0 DHADHO Cc1cc([C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)ccc1F ZINC000540261981 1036026607 /nfs/dbraw/zinc/02/66/07/1036026607.db2.gz UPIQQPCPEPXDJC-IFXJQAMLSA-N 1 3 302.437 3.659 20 0 DHADHO CC(C)Oc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1 ZINC000540363057 1036050144 /nfs/dbraw/zinc/05/01/44/1036050144.db2.gz MSSVHFVNQYSAFX-WMZOPIPTSA-N 1 3 304.478 3.999 20 0 DHADHO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000540605551 1036108035 /nfs/dbraw/zinc/10/80/35/1036108035.db2.gz AUAHQVILULRHHR-RDTXWAMCSA-N 1 3 322.468 3.754 20 0 DHADHO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000540605550 1036108975 /nfs/dbraw/zinc/10/89/75/1036108975.db2.gz AUAHQVILULRHHR-KSSFIOAISA-N 1 3 322.468 3.754 20 0 DHADHO c1ccc2c(c1)CC[C@H](C[N@H+]1CC[C@@H](CN3CCCCC3)C1)C2 ZINC000541059060 1036227855 /nfs/dbraw/zinc/22/78/55/1036227855.db2.gz BTZYSPIOPHYCHW-OALUTQOASA-N 1 3 312.501 3.599 20 0 DHADHO c1ccc2c(c1)CC[C@H](C[N@@H+]1CC[C@@H](CN3CCCCC3)C1)C2 ZINC000541059060 1036227865 /nfs/dbraw/zinc/22/78/65/1036227865.db2.gz BTZYSPIOPHYCHW-OALUTQOASA-N 1 3 312.501 3.599 20 0 DHADHO C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000541588171 1036380654 /nfs/dbraw/zinc/38/06/54/1036380654.db2.gz UTGKZFYUCSKXOO-AZUAARDMSA-N 1 3 300.490 3.673 20 0 DHADHO C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000541588171 1036380674 /nfs/dbraw/zinc/38/06/74/1036380674.db2.gz UTGKZFYUCSKXOO-AZUAARDMSA-N 1 3 300.490 3.673 20 0 DHADHO C[C@H](CN(C)C)[C@@H]1CCCC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC001183066124 1036515523 /nfs/dbraw/zinc/51/55/23/1036515523.db2.gz UWXJKZXDEUJYGL-KDOFPFPSSA-N 1 3 310.432 3.560 20 0 DHADHO C[C@H](CN(C)C)[C@@H]1CCCC[N@H+]1CCc1ccc(F)c(F)c1 ZINC001183066124 1036515536 /nfs/dbraw/zinc/51/55/36/1036515536.db2.gz UWXJKZXDEUJYGL-KDOFPFPSSA-N 1 3 310.432 3.560 20 0 DHADHO COc1ccc(CN2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c(C)c1 ZINC001183065000 1036516617 /nfs/dbraw/zinc/51/66/17/1036516617.db2.gz CEHFLEPDHTZJDN-QFBILLFUSA-N 1 3 304.478 3.556 20 0 DHADHO C/C(=C\c1cccc(C(F)(F)F)c1)CNC[C@@H](C)C[NH+](C)C ZINC000491545456 1036600254 /nfs/dbraw/zinc/60/02/54/1036600254.db2.gz LEEQVRCJCARQKK-MAUPQMMJSA-N 1 3 314.395 3.896 20 0 DHADHO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](C)CN(C)C ZINC000491545456 1036600270 /nfs/dbraw/zinc/60/02/70/1036600270.db2.gz LEEQVRCJCARQKK-MAUPQMMJSA-N 1 3 314.395 3.896 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000495413539 1036626770 /nfs/dbraw/zinc/62/67/70/1036626770.db2.gz DUFPQQCGSHOYJX-NXHRZFHOSA-N 1 3 322.537 3.965 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000495413539 1036626773 /nfs/dbraw/zinc/62/67/73/1036626773.db2.gz DUFPQQCGSHOYJX-NXHRZFHOSA-N 1 3 322.537 3.965 20 0 DHADHO Cc1cccc(CCC[N@@H+]2CCN(c3ccncc3)[C@H](C)C2)c1 ZINC001197369024 1036767528 /nfs/dbraw/zinc/76/75/28/1036767528.db2.gz ROSWBFCJILYJHN-GOSISDBHSA-N 1 3 309.457 3.533 20 0 DHADHO Cc1cccc(CCC[N@H+]2CCN(c3ccncc3)[C@H](C)C2)c1 ZINC001197369024 1036767558 /nfs/dbraw/zinc/76/75/58/1036767558.db2.gz ROSWBFCJILYJHN-GOSISDBHSA-N 1 3 309.457 3.533 20 0 DHADHO Cc1cccc(CCCN2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC001197369024 1036767573 /nfs/dbraw/zinc/76/75/73/1036767573.db2.gz ROSWBFCJILYJHN-GOSISDBHSA-N 1 3 309.457 3.533 20 0 DHADHO CN(C)CC(C)(C)C[N@H+](C)CCc1ccc(F)cc1Cl ZINC001184195738 1036781676 /nfs/dbraw/zinc/78/16/76/1036781676.db2.gz AATRCTFEYPPXRI-UHFFFAOYSA-N 1 3 300.849 3.541 20 0 DHADHO CN(C)CC(C)(C)C[N@@H+](C)CCc1ccc(F)cc1Cl ZINC001184195738 1036781696 /nfs/dbraw/zinc/78/16/96/1036781696.db2.gz AATRCTFEYPPXRI-UHFFFAOYSA-N 1 3 300.849 3.541 20 0 DHADHO C[C@H]1CCN(CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC001205296667 1036837779 /nfs/dbraw/zinc/83/77/79/1036837779.db2.gz SHTPZHQEWBATTC-JSGCOSHPSA-N 1 3 315.288 3.843 20 0 DHADHO C[C@H]1CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1CN ZINC001205296667 1036837790 /nfs/dbraw/zinc/83/77/90/1036837790.db2.gz SHTPZHQEWBATTC-JSGCOSHPSA-N 1 3 315.288 3.843 20 0 DHADHO C[C@H]1CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1CN ZINC001205296667 1036837804 /nfs/dbraw/zinc/83/78/04/1036837804.db2.gz SHTPZHQEWBATTC-JSGCOSHPSA-N 1 3 315.288 3.843 20 0 DHADHO CCCCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000322919028 1037259455 /nfs/dbraw/zinc/25/94/55/1037259455.db2.gz LMIXWKMIDCHXOS-YQQQUEKLSA-N 1 3 316.489 3.970 20 0 DHADHO CCC[NH+]1CCC(N[C@@H](CC)c2ccc3c(c2)CCCO3)CC1 ZINC000152652849 1037492554 /nfs/dbraw/zinc/49/25/54/1037492554.db2.gz CTGZBPULFZCKGW-IBGZPJMESA-N 1 3 316.489 3.927 20 0 DHADHO C[C@@H](NCCCC[NH+](C)C)c1ncc(C(F)(F)F)cc1Cl ZINC000924855488 1037763626 /nfs/dbraw/zinc/76/36/26/1037763626.db2.gz QXJGRTOJKFVACH-SNVBAGLBSA-N 1 3 323.790 3.746 20 0 DHADHO CC(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(C)C ZINC000185234144 1037786854 /nfs/dbraw/zinc/78/68/54/1037786854.db2.gz IVPFZMMQBVQFEZ-QZTJIDSGSA-N 1 3 308.510 3.575 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000037644176 1037836114 /nfs/dbraw/zinc/83/61/14/1037836114.db2.gz FAQSEVGYPMIXLP-STQMWFEESA-N 1 3 300.368 3.698 20 0 DHADHO CCn1c2ccccc2c2cc(CNCCC[NH+]3CCC3)ccc21 ZINC001201832930 1037915137 /nfs/dbraw/zinc/91/51/37/1037915137.db2.gz IDHLXPDDGYMEOU-UHFFFAOYSA-N 1 3 321.468 4.000 20 0 DHADHO CC1(C)CCC(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629563397 1037943508 /nfs/dbraw/zinc/94/35/08/1037943508.db2.gz PLXFDZMGSMVBIG-KBPBESRZSA-N 1 3 306.416 3.662 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000126473058 1038069653 /nfs/dbraw/zinc/06/96/53/1038069653.db2.gz WMHGOHGDBQTMJX-SFHVURJKSA-N 1 3 306.881 3.519 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000126472829 1038073270 /nfs/dbraw/zinc/07/32/70/1038073270.db2.gz WMHGOHGDBQTMJX-GOSISDBHSA-N 1 3 306.881 3.519 20 0 DHADHO C[C@H](C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)CN1CCCCC1 ZINC000126616820 1038081231 /nfs/dbraw/zinc/08/12/31/1038081231.db2.gz HMTJKIMISHENRY-RDTXWAMCSA-N 1 3 306.881 3.519 20 0 DHADHO C[C@@H]1[C@H](C)SCCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001191022163 1038422309 /nfs/dbraw/zinc/42/23/09/1038422309.db2.gz PWSPZKKPZHUYHS-SJORKVTESA-N 1 3 318.530 3.998 20 0 DHADHO COc1ccccc1[C@H](C)[N@H+](C)C1CCN(CC2CC2)CC1 ZINC001168387413 1038437943 /nfs/dbraw/zinc/43/79/43/1038437943.db2.gz HSJIJCJRNMRHBR-HNNXBMFYSA-N 1 3 302.462 3.562 20 0 DHADHO COc1ccccc1[C@H](C)[N@@H+](C)C1CCN(CC2CC2)CC1 ZINC001168387413 1038437945 /nfs/dbraw/zinc/43/79/45/1038437945.db2.gz HSJIJCJRNMRHBR-HNNXBMFYSA-N 1 3 302.462 3.562 20 0 DHADHO CC(C)(C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)CN1CCCC1 ZINC000477927522 1038825108 /nfs/dbraw/zinc/82/51/08/1038825108.db2.gz OIXSIUDQGCLHCJ-KGLIPLIRSA-N 1 3 306.416 3.819 20 0 DHADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cn2ccccc2n1 ZINC000573386331 1038931677 /nfs/dbraw/zinc/93/16/77/1038931677.db2.gz ZWDFWDJOIRTPQK-IAGOWNOFSA-N 1 3 314.477 3.640 20 0 DHADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cn2ccccc2n1 ZINC000573386331 1038931693 /nfs/dbraw/zinc/93/16/93/1038931693.db2.gz ZWDFWDJOIRTPQK-IAGOWNOFSA-N 1 3 314.477 3.640 20 0 DHADHO CC1CCC(O)(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000607721351 1040260704 /nfs/dbraw/zinc/26/07/04/1040260704.db2.gz UTADCQWGYWRENA-IOJLRTSASA-N 1 3 322.537 3.516 20 0 DHADHO c1ccc(CSCCNC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000597253891 1040713529 /nfs/dbraw/zinc/71/35/29/1040713529.db2.gz AETZMMMGAXVLKE-LJQANCHMSA-N 1 3 318.530 3.631 20 0 DHADHO c1ccc(CSCCNC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000597253891 1040713535 /nfs/dbraw/zinc/71/35/35/1040713535.db2.gz AETZMMMGAXVLKE-LJQANCHMSA-N 1 3 318.530 3.631 20 0 DHADHO c1ccc(CSCC[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000597253891 1040713555 /nfs/dbraw/zinc/71/35/55/1040713555.db2.gz AETZMMMGAXVLKE-LJQANCHMSA-N 1 3 318.530 3.631 20 0 DHADHO Fc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001168413314 1041265463 /nfs/dbraw/zinc/26/54/63/1041265463.db2.gz XMXKQXOKSHAMGP-LJQANCHMSA-N 1 3 316.464 3.680 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000091317611 193038400 /nfs/dbraw/zinc/03/84/00/193038400.db2.gz XWDOLYYDLYZJOO-FQEVSTJZSA-N 1 3 316.489 3.537 20 0 DHADHO C[NH+](C)CCOc1ccccc1CN[C@H](c1ccccc1)C1CC1 ZINC000091312936 193039061 /nfs/dbraw/zinc/03/90/61/193039061.db2.gz GHRCQDUJTVJWEQ-OAQYLSRUSA-N 1 3 324.468 3.868 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000092043285 193146528 /nfs/dbraw/zinc/14/65/28/193146528.db2.gz LBZPVTDAEHCOAU-RTWAWAEBSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000092043285 193146530 /nfs/dbraw/zinc/14/65/30/193146530.db2.gz LBZPVTDAEHCOAU-RTWAWAEBSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000092043285 193146532 /nfs/dbraw/zinc/14/65/32/193146532.db2.gz LBZPVTDAEHCOAU-RTWAWAEBSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4cccnc4)c3)CC[C@@H]21 ZINC000092043285 193146534 /nfs/dbraw/zinc/14/65/34/193146534.db2.gz LBZPVTDAEHCOAU-RTWAWAEBSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC=C(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272549647 130040755 /nfs/dbraw/zinc/04/07/55/130040755.db2.gz QYKRXSKBXZCSCH-LJQANCHMSA-N 1 3 300.421 3.613 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1C ZINC000272902444 130072027 /nfs/dbraw/zinc/07/20/27/130072027.db2.gz KMRJFAWWFAIOPS-OAHLLOKOSA-N 1 3 304.478 3.917 20 0 DHADHO CC(C)(C)OCc1cccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000298242675 132052429 /nfs/dbraw/zinc/05/24/29/132052429.db2.gz CNGSSROSUUQESB-UHFFFAOYSA-N 1 3 316.489 3.718 20 0 DHADHO CCOc1cc(CNCCCC[N@@H+]2CCCC[C@H]2C)ccc1O ZINC000298318067 132056204 /nfs/dbraw/zinc/05/62/04/132056204.db2.gz IFTSVUUIYFUSAD-MRXNPFEDSA-N 1 3 320.477 3.535 20 0 DHADHO CCOc1cc(CNCCCC[N@H+]2CCCC[C@H]2C)ccc1O ZINC000298318067 132056205 /nfs/dbraw/zinc/05/62/05/132056205.db2.gz IFTSVUUIYFUSAD-MRXNPFEDSA-N 1 3 320.477 3.535 20 0 DHADHO c1cnc2c(c1)cccc2CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000261701174 331782873 /nfs/dbraw/zinc/78/28/73/331782873.db2.gz JYRFUEWAYKSTEW-CEXWTWQISA-N 1 3 309.457 3.635 20 0 DHADHO CC1=C[C@H](C)C[C@@H](C[NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000569395655 332075281 /nfs/dbraw/zinc/07/52/81/332075281.db2.gz DVYQZPZKXGVNSN-QFBILLFUSA-N 1 3 313.489 3.880 20 0 DHADHO CC1=C[C@@H](C)C[C@H](C[NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000569395653 332075371 /nfs/dbraw/zinc/07/53/71/332075371.db2.gz DVYQZPZKXGVNSN-APWZRJJASA-N 1 3 313.489 3.880 20 0 DHADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1ccc(C[NH3+])cc1 ZINC000569605638 332198620 /nfs/dbraw/zinc/19/86/20/332198620.db2.gz QSVIIHCKBWKLDE-LJQANCHMSA-N 1 3 310.441 3.666 20 0 DHADHO CSc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000564973193 332328334 /nfs/dbraw/zinc/32/83/34/332328334.db2.gz VJCLMBKIYFWXTI-RDTXWAMCSA-N 1 3 304.503 3.717 20 0 DHADHO CSc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000564973193 332328336 /nfs/dbraw/zinc/32/83/36/332328336.db2.gz VJCLMBKIYFWXTI-RDTXWAMCSA-N 1 3 304.503 3.717 20 0 DHADHO CSc1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000564973192 332328508 /nfs/dbraw/zinc/32/85/08/332328508.db2.gz VJCLMBKIYFWXTI-KSSFIOAISA-N 1 3 304.503 3.717 20 0 DHADHO CSc1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000564973192 332328509 /nfs/dbraw/zinc/32/85/09/332328509.db2.gz VJCLMBKIYFWXTI-KSSFIOAISA-N 1 3 304.503 3.717 20 0 DHADHO CCC(C)(C)[C@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000560343150 332332163 /nfs/dbraw/zinc/33/21/63/332332163.db2.gz NBIFLORCGRUFCA-INIZCTEOSA-N 1 3 318.505 3.558 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@H]2CCC[C@H]21 ZINC000560518730 332349759 /nfs/dbraw/zinc/34/97/59/332349759.db2.gz XDNATCVLCKQYAX-CEXWTWQISA-N 1 3 310.441 3.909 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Oc1ccccc1C ZINC000560544558 332356266 /nfs/dbraw/zinc/35/62/66/332356266.db2.gz QCOSUAVNYVVGAP-NCXUSEDFSA-N 1 3 316.489 3.615 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Oc1ccccc1C ZINC000560544558 332356267 /nfs/dbraw/zinc/35/62/67/332356267.db2.gz QCOSUAVNYVVGAP-NCXUSEDFSA-N 1 3 316.489 3.615 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Oc1ccccc1C ZINC000560544557 332356476 /nfs/dbraw/zinc/35/64/76/332356476.db2.gz QCOSUAVNYVVGAP-MKXGPGLRSA-N 1 3 316.489 3.615 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Oc1ccccc1C ZINC000560544557 332356478 /nfs/dbraw/zinc/35/64/78/332356478.db2.gz QCOSUAVNYVVGAP-MKXGPGLRSA-N 1 3 316.489 3.615 20 0 DHADHO C[NH2+]CC1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000394424324 332425272 /nfs/dbraw/zinc/42/52/72/332425272.db2.gz RHJQHKYTQNRHNC-UHFFFAOYSA-N 1 3 324.468 3.697 20 0 DHADHO Clc1ccc(-c2ccc(CNCC[C@H]3CC[NH2+]C3)o2)cc1 ZINC000569790882 332679840 /nfs/dbraw/zinc/67/98/40/332679840.db2.gz BPVAVNWNQRQJRT-CYBMUJFWSA-N 1 3 304.821 3.689 20 0 DHADHO Cc1cc(CNCc2ccc(C[NH3+])cc2)ccc1Br ZINC000580311815 333094805 /nfs/dbraw/zinc/09/48/05/333094805.db2.gz SVORCMBNNVGDLT-UHFFFAOYSA-N 1 3 319.246 3.506 20 0 DHADHO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc2ccccc2n1 ZINC000178016702 333134313 /nfs/dbraw/zinc/13/43/13/333134313.db2.gz YKGBLUMQWXXQKA-MIGBEJBISA-N 1 3 309.457 3.901 20 0 DHADHO C[C@@H](CNc1ccnc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000390641756 333310154 /nfs/dbraw/zinc/31/01/54/333310154.db2.gz LJBDGJMFVBNKGF-INIZCTEOSA-N 1 3 305.425 3.589 20 0 DHADHO C[C@@H](CNc1ccnc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000390641756 333310155 /nfs/dbraw/zinc/31/01/55/333310155.db2.gz LJBDGJMFVBNKGF-INIZCTEOSA-N 1 3 305.425 3.589 20 0 DHADHO COC[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C(C)C ZINC000390785365 333393455 /nfs/dbraw/zinc/39/34/55/333393455.db2.gz VZRPVQDUCLZCJZ-UXHICEINSA-N 1 3 318.505 3.549 20 0 DHADHO Cc1ccc2ncc(CN3CCC(C[NH+]4CCCC4)CC3)cc2c1 ZINC000411176998 333640462 /nfs/dbraw/zinc/64/04/62/333640462.db2.gz URRMFPWAOJUGJU-UHFFFAOYSA-N 1 3 323.484 3.851 20 0 DHADHO CC[C@@H](NCC1=CC[N@H+](C)CC1)c1ccccc1OC(F)F ZINC000271822171 334027294 /nfs/dbraw/zinc/02/72/94/334027294.db2.gz CJUAHADSECMNAR-OAHLLOKOSA-N 1 3 310.388 3.591 20 0 DHADHO CC[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccccc1OC(F)F ZINC000271822171 334027296 /nfs/dbraw/zinc/02/72/96/334027296.db2.gz CJUAHADSECMNAR-OAHLLOKOSA-N 1 3 310.388 3.591 20 0 DHADHO CCSc1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000414647718 334054294 /nfs/dbraw/zinc/05/42/94/334054294.db2.gz ABRZLAFRJPLMCS-SFHVURJKSA-N 1 3 304.503 3.763 20 0 DHADHO COc1cc(-c2ccccc2)ccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000414663524 334061933 /nfs/dbraw/zinc/06/19/33/334061933.db2.gz BFERZCGYFJRDAJ-IHPCNDPISA-N 1 3 322.452 3.531 20 0 DHADHO CNC[C@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414666963 334062312 /nfs/dbraw/zinc/06/23/12/334062312.db2.gz GXFMTCPBYJENJZ-OAQYLSRUSA-N 1 3 322.496 3.629 20 0 DHADHO CNC[C@H]1CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414666963 334062313 /nfs/dbraw/zinc/06/23/13/334062313.db2.gz GXFMTCPBYJENJZ-OAQYLSRUSA-N 1 3 322.496 3.629 20 0 DHADHO C[C@@H]1C[C@H](CN2CCSC[C@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414710314 334072567 /nfs/dbraw/zinc/07/25/67/334072567.db2.gz RUXVHNKCJYULNI-CPUCHLNUSA-N 1 3 324.921 3.818 20 0 DHADHO c1ccc(CN(CC2CCCCCC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000414713111 334072906 /nfs/dbraw/zinc/07/29/06/334072906.db2.gz JZNLSHGYPULVPW-HXUWFJFHSA-N 1 3 315.505 3.996 20 0 DHADHO C[C@@H]1C[C@@H](CN2CCCC[C@H]2c2nc3ccccc3o2)CC[NH2+]1 ZINC000414760105 334086763 /nfs/dbraw/zinc/08/67/63/334086763.db2.gz XUBJLWBXMXAODJ-VYDXJSESSA-N 1 3 313.445 3.743 20 0 DHADHO Clc1ccc(-c2ccc(C[NH2+]C3CCNCC3)s2)cc1 ZINC000414779740 334093138 /nfs/dbraw/zinc/09/31/38/334093138.db2.gz ALURPEGLPZMINN-UHFFFAOYSA-N 1 3 306.862 3.910 20 0 DHADHO CC(C)[C@H](N)C[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414792596 334098614 /nfs/dbraw/zinc/09/86/14/334098614.db2.gz JDPOGFLMEKVFCD-VHTFYLNKSA-N 1 3 324.468 3.852 20 0 DHADHO CC(C)([NH3+])CN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801230 334101782 /nfs/dbraw/zinc/10/17/82/334101782.db2.gz IZYLBTXDFOPFTL-ZIAGYGMSSA-N 1 3 300.368 3.668 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414799632 334101982 /nfs/dbraw/zinc/10/19/82/334101982.db2.gz KEUAQNZNJGLTHH-NHYWBVRUSA-N 1 3 301.261 3.643 20 0 DHADHO C[C@H]([NH3+])c1ccc(CNCc2cccc(OC(F)F)c2)cc1 ZINC000414801957 334103306 /nfs/dbraw/zinc/10/33/06/334103306.db2.gz AUZSYODLPZGKDY-LBPRGKRZSA-N 1 3 306.356 3.598 20 0 DHADHO Cc1ccc(-c2ncc(CN[C@H]3CCCC[C@H]3C[NH3+])s2)cc1 ZINC000414811402 334105809 /nfs/dbraw/zinc/10/58/09/334105809.db2.gz WCJQNIROBOBGMI-RDJZCZTQSA-N 1 3 315.486 3.726 20 0 DHADHO CCC([NH3+])(CC)CN[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414813845 334106137 /nfs/dbraw/zinc/10/61/37/334106137.db2.gz UQNZGFBCWLYMHE-GFCCVEGCSA-N 1 3 302.384 3.744 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821315 334108496 /nfs/dbraw/zinc/10/84/96/334108496.db2.gz BBUCAPYGIBOMEL-FKJOKYEKSA-N 1 3 313.272 3.797 20 0 DHADHO C[NH2+]C[C@@H](C)CNCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414832084 334111061 /nfs/dbraw/zinc/11/10/61/334111061.db2.gz DSGUWFHQOZFBFO-CQSZACIVSA-N 1 3 318.411 3.542 20 0 DHADHO CNC[C@@H](C)C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414832084 334111062 /nfs/dbraw/zinc/11/10/62/334111062.db2.gz DSGUWFHQOZFBFO-CQSZACIVSA-N 1 3 318.411 3.542 20 0 DHADHO COc1ccc(CC[C@H](C)NCC2([NH3+])CCCCCC2)cc1 ZINC000414856480 334129626 /nfs/dbraw/zinc/12/96/26/334129626.db2.gz ALGAOFLEANKUHZ-INIZCTEOSA-N 1 3 304.478 3.658 20 0 DHADHO CC(C)(C)c1ccc(CNCCC[NH2+]Cc2cccnc2)s1 ZINC000414886238 334154230 /nfs/dbraw/zinc/15/42/30/334154230.db2.gz VTLBJBOCENFXDT-UHFFFAOYSA-N 1 3 317.502 3.710 20 0 DHADHO N[C@H](C[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000414889355 334157131 /nfs/dbraw/zinc/15/71/31/334157131.db2.gz LMZFTOOPBVHURL-HXRGIAOBSA-N 1 3 322.452 3.606 20 0 DHADHO C[C@@H](C[NH2+]C[C@]1(C)CCCNC1)c1ccc(C(F)(F)F)cc1 ZINC000414897992 334161257 /nfs/dbraw/zinc/16/12/57/334161257.db2.gz AOLAOURULKYNRI-XJKSGUPXSA-N 1 3 314.395 3.788 20 0 DHADHO C[C@H](CCc1cccc(C(F)(F)F)c1)NCC[C@H]1CCC[NH2+]1 ZINC000414901829 334165224 /nfs/dbraw/zinc/16/52/24/334165224.db2.gz GXCGERBFWPXTEG-CZUORRHYSA-N 1 3 314.395 3.758 20 0 DHADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414905618 334168878 /nfs/dbraw/zinc/16/88/78/334168878.db2.gz LOXNIKUEHDGSEI-BBRMVZONSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414905618 334168880 /nfs/dbraw/zinc/16/88/80/334168880.db2.gz LOXNIKUEHDGSEI-BBRMVZONSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414906137 334169313 /nfs/dbraw/zinc/16/93/13/334169313.db2.gz MBJVGUVHSKWFBN-IUODEOHRSA-N 1 3 300.899 3.702 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414915743 334177392 /nfs/dbraw/zinc/17/73/92/334177392.db2.gz NAZCIQTUYSJLBA-IUODEOHRSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@H](CN[C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414915743 334177393 /nfs/dbraw/zinc/17/73/93/334177393.db2.gz NAZCIQTUYSJLBA-IUODEOHRSA-N 1 3 300.368 3.541 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000414922071 334182382 /nfs/dbraw/zinc/18/23/82/334182382.db2.gz GGPKWWKGGXGKBS-HNJRGHQBSA-N 1 3 316.489 3.969 20 0 DHADHO C[C@H]1C[C@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)CCN1 ZINC000414927886 334190230 /nfs/dbraw/zinc/19/02/30/334190230.db2.gz AIPGOBUGOVYSSO-XJKSGUPXSA-N 1 3 314.395 3.758 20 0 DHADHO CC(C)O[C@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)c1ccccc1 ZINC000292805376 334192579 /nfs/dbraw/zinc/19/25/79/334192579.db2.gz LAZNJKVNYHBTPU-RTBURBONSA-N 1 3 304.478 3.569 20 0 DHADHO CC(C)O[C@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)c1ccccc1 ZINC000292805376 334192580 /nfs/dbraw/zinc/19/25/80/334192580.db2.gz LAZNJKVNYHBTPU-RTBURBONSA-N 1 3 304.478 3.569 20 0 DHADHO C[C@@H]1CNCC[C@H]1[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414930337 334194042 /nfs/dbraw/zinc/19/40/42/334194042.db2.gz ANBPRYYMAUQEFQ-CZUORRHYSA-N 1 3 314.395 3.616 20 0 DHADHO CC1([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCNCC1 ZINC000414935284 334197714 /nfs/dbraw/zinc/19/77/14/334197714.db2.gz FQWDTVUPRWUWMS-UHFFFAOYSA-N 1 3 304.434 3.786 20 0 DHADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000414941606 334202598 /nfs/dbraw/zinc/20/25/98/334202598.db2.gz LSJDREOBHLLXAU-STZQEDGTSA-N 1 3 322.496 3.818 20 0 DHADHO C[C@@H]1CNCC[C@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414943998 334203445 /nfs/dbraw/zinc/20/34/45/334203445.db2.gz OTOCQOMHOFHEQZ-XMSQKQJNSA-N 1 3 322.496 3.676 20 0 DHADHO C[C@H](CN[C@H]1CCC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415083984 334272360 /nfs/dbraw/zinc/27/23/60/334272360.db2.gz ONHJQMFJHDTJRT-NEPJUHHUSA-N 1 3 301.261 3.829 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCCNCC1)c1c(Cl)cccc1Cl ZINC000415083984 334272362 /nfs/dbraw/zinc/27/23/62/334272362.db2.gz ONHJQMFJHDTJRT-NEPJUHHUSA-N 1 3 301.261 3.829 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)CCN1 ZINC000414945959 334205152 /nfs/dbraw/zinc/20/51/52/334205152.db2.gz IZOMPWCNSROLKL-GCJKJVERSA-N 1 3 322.496 3.818 20 0 DHADHO C[C@@H]1CNCC[C@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414957181 334208889 /nfs/dbraw/zinc/20/88/89/334208889.db2.gz NWSWUUJOYCSYLA-MLGOLLRUSA-N 1 3 304.434 3.642 20 0 DHADHO CC(C)[C@@H](NCCCCC[NH+]1CCCC1)c1ccc(F)cn1 ZINC000340474740 334211739 /nfs/dbraw/zinc/21/17/39/334211739.db2.gz UXFOYMNJCVXOKV-GOSISDBHSA-N 1 3 307.457 3.774 20 0 DHADHO Clc1oc2ccccc2c1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415001016 334239943 /nfs/dbraw/zinc/23/99/43/334239943.db2.gz BYLHPRUVEQIXCP-DZGCQCFKSA-N 1 3 304.821 3.564 20 0 DHADHO C[C@H](CCCC[NH3+])NCc1cc(C(F)(F)F)ccc1Cl ZINC000415008176 334250817 /nfs/dbraw/zinc/25/08/17/334250817.db2.gz CMELSERARQDDHE-SNVBAGLBSA-N 1 3 308.775 3.966 20 0 DHADHO C[C@@H]([NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1)[C@H](C)N ZINC000415024464 334259612 /nfs/dbraw/zinc/25/96/12/334259612.db2.gz YRAPNCPJRCXBTQ-HYHHROLSSA-N 1 3 310.441 3.604 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000415024463 334259620 /nfs/dbraw/zinc/25/96/20/334259620.db2.gz YRAPNCPJRCXBTQ-GCZRAQGHSA-N 1 3 310.441 3.604 20 0 DHADHO COc1ccc2cc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)ccc2c1 ZINC000415042055 334260946 /nfs/dbraw/zinc/26/09/46/334260946.db2.gz MAFPDDHKBATDTL-FPOVZHCZSA-N 1 3 324.468 3.812 20 0 DHADHO [NH3+]CCC[C@H](NCc1ccc2ncccc2c1)c1ccccc1 ZINC000415064105 334262257 /nfs/dbraw/zinc/26/22/57/334262257.db2.gz JSNPCGSBTBTYQT-IBGZPJMESA-N 1 3 305.425 3.805 20 0 DHADHO COc1ccccc1[C@H](NC[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000415076338 334268712 /nfs/dbraw/zinc/26/87/12/334268712.db2.gz AUTRBEMTWSLJPI-LLGFUMIMSA-N 1 3 324.468 3.762 20 0 DHADHO Brc1ccc([C@H]([NH2+]C2CCNCC2)C2CCC2)cc1 ZINC000415090202 334279895 /nfs/dbraw/zinc/27/98/95/334279895.db2.gz YPDLCRMTORCIHN-MRXNPFEDSA-N 1 3 323.278 3.632 20 0 DHADHO CCOCc1ccccc1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415097768 334281339 /nfs/dbraw/zinc/28/13/39/334281339.db2.gz DKKYFQJMHSLSQC-SFTDATJTSA-N 1 3 324.468 3.806 20 0 DHADHO COc1ccc(-c2ccc(CN[C@H]3CCC[NH2+]CC3)s2)cc1 ZINC000415112332 334281876 /nfs/dbraw/zinc/28/18/76/334281876.db2.gz RSSXCUKNSWNKND-HNNXBMFYSA-N 1 3 316.470 3.655 20 0 DHADHO [NH3+]CC1CCC(NCc2nc(-c3ccccc3F)cs2)CC1 ZINC000415110438 334282022 /nfs/dbraw/zinc/28/20/22/334282022.db2.gz STZNHWTVTRIUIU-UHFFFAOYSA-N 1 3 319.449 3.556 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000514096173 334332259 /nfs/dbraw/zinc/33/22/59/334332259.db2.gz URHKFNCQTQZNCK-XWIAVFTESA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000514096173 334332260 /nfs/dbraw/zinc/33/22/60/334332260.db2.gz URHKFNCQTQZNCK-XWIAVFTESA-N 1 3 308.416 3.502 20 0 DHADHO CSc1ccccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000541894639 334349746 /nfs/dbraw/zinc/34/97/46/334349746.db2.gz ADMKZJGJYRCYFX-UHFFFAOYSA-N 1 3 306.519 3.961 20 0 DHADHO CSc1ccccc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000541894639 334349747 /nfs/dbraw/zinc/34/97/47/334349747.db2.gz ADMKZJGJYRCYFX-UHFFFAOYSA-N 1 3 306.519 3.961 20 0 DHADHO CCCC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000343916523 335201833 /nfs/dbraw/zinc/20/18/33/335201833.db2.gz QZBVDNQHVVTLDB-FQEVSTJZSA-N 1 3 317.521 3.534 20 0 DHADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CN(C)C)cc2)C12CCCC2 ZINC000344113802 335218251 /nfs/dbraw/zinc/21/82/51/335218251.db2.gz MSUWRDFJZUJQRJ-MOPGFXCFSA-N 1 3 316.489 3.576 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344116866 335218360 /nfs/dbraw/zinc/21/83/60/335218360.db2.gz XJPPICXVJJGWJC-HNAYVOBHSA-N 1 3 304.453 3.913 20 0 DHADHO Cc1oc2ccccc2c1CCNC1CC[NH+](C(C)C)CC1 ZINC000344143189 335221193 /nfs/dbraw/zinc/22/11/93/335221193.db2.gz ZUXREGBNFVJHGL-UHFFFAOYSA-N 1 3 300.446 3.746 20 0 DHADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)cc1 ZINC000520632434 335997713 /nfs/dbraw/zinc/99/77/13/335997713.db2.gz VLWSRIRBODVYOT-RTBURBONSA-N 1 3 318.505 3.584 20 0 DHADHO C[NH+]1CCC([C@@H]2CCN(C/C=C\c3ccc(F)c(F)c3)C2)CC1 ZINC000583661430 336035818 /nfs/dbraw/zinc/03/58/18/336035818.db2.gz NSNBMXISENANKB-BAHPRDJBSA-N 1 3 320.427 3.642 20 0 DHADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000352553648 336224331 /nfs/dbraw/zinc/22/43/31/336224331.db2.gz CUSGJNHAJVNPBQ-JTDSTZFVSA-N 1 3 322.468 3.756 20 0 DHADHO CCc1ccc(C[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)cn1 ZINC000352759600 336235355 /nfs/dbraw/zinc/23/53/55/336235355.db2.gz KLXIFJXUTHDMGA-QGZVFWFLSA-N 1 3 311.473 3.644 20 0 DHADHO Cc1nc(-c2ccc(CN[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)cs1 ZINC000532470975 336249604 /nfs/dbraw/zinc/24/96/04/336249604.db2.gz UMKQPYLPSIYSBT-DYVFJYSZSA-N 1 3 315.486 3.548 20 0 DHADHO Cc1nc(-c2ccc(CN[C@H]3CC[N@H+](C)C[C@H]3C)cc2)cs1 ZINC000532470975 336249605 /nfs/dbraw/zinc/24/96/05/336249605.db2.gz UMKQPYLPSIYSBT-DYVFJYSZSA-N 1 3 315.486 3.548 20 0 DHADHO CC(C)CN1CCC([NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000532451809 336249954 /nfs/dbraw/zinc/24/99/54/336249954.db2.gz QPIJBRIDQLZEKS-LIRRHRJNSA-N 1 3 304.453 3.769 20 0 DHADHO FCCCCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352829481 336267549 /nfs/dbraw/zinc/26/75/49/336267549.db2.gz GPMPBXGZPLHFTQ-LJQANCHMSA-N 1 3 304.453 3.724 20 0 DHADHO FCCCCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352829481 336267550 /nfs/dbraw/zinc/26/75/50/336267550.db2.gz GPMPBXGZPLHFTQ-LJQANCHMSA-N 1 3 304.453 3.724 20 0 DHADHO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ccccc2n1 ZINC000301770641 336328709 /nfs/dbraw/zinc/32/87/09/336328709.db2.gz IZTDUVUGGQHYKI-OXJNMPFZSA-N 1 3 321.468 3.996 20 0 DHADHO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2ccccc2n1 ZINC000301770641 336328710 /nfs/dbraw/zinc/32/87/10/336328710.db2.gz IZTDUVUGGQHYKI-OXJNMPFZSA-N 1 3 321.468 3.996 20 0 DHADHO CO[C@@H](C)[C@@H](C)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000360692162 336719145 /nfs/dbraw/zinc/71/91/45/336719145.db2.gz UWJGLPFLEOKQQH-SJORKVTESA-N 1 3 304.478 3.576 20 0 DHADHO CCC[NH+]1CCC(CN[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000122673091 337018036 /nfs/dbraw/zinc/01/80/36/337018036.db2.gz PRXDDZSSCGEHOT-GOSISDBHSA-N 1 3 320.452 3.751 20 0 DHADHO OCCC1(C[NH2+]C2CCN(CC3CCCCC3)CC2)CCCC1 ZINC000378180797 337067706 /nfs/dbraw/zinc/06/77/06/337067706.db2.gz BBFCSXXQZJJTAL-UHFFFAOYSA-N 1 3 322.537 3.564 20 0 DHADHO C[C@H]([NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)C(C)(C)C ZINC000378440655 337072842 /nfs/dbraw/zinc/07/28/42/337072842.db2.gz DAOSDVQJLJSIAY-DOTOQJQBSA-N 1 3 316.489 3.999 20 0 DHADHO CSC1(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000193803779 337080249 /nfs/dbraw/zinc/08/02/49/337080249.db2.gz OCGRITVLCONGRH-NVXWUHKLSA-N 1 3 310.551 3.905 20 0 DHADHO CSC1(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000193803779 337080250 /nfs/dbraw/zinc/08/02/50/337080250.db2.gz OCGRITVLCONGRH-NVXWUHKLSA-N 1 3 310.551 3.905 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000193907075 337081241 /nfs/dbraw/zinc/08/12/41/337081241.db2.gz YZNIPHLTLCXIRD-GOSISDBHSA-N 1 3 306.519 3.630 20 0 DHADHO CC(C)[N@@H+]1CCC[C@H](CNCCSCc2ccccc2)C1 ZINC000193907075 337081242 /nfs/dbraw/zinc/08/12/42/337081242.db2.gz YZNIPHLTLCXIRD-GOSISDBHSA-N 1 3 306.519 3.630 20 0 DHADHO CC(C)[N@H+]1CCC[C@H](CNCCSCc2ccccc2)C1 ZINC000193907075 337081243 /nfs/dbraw/zinc/08/12/43/337081243.db2.gz YZNIPHLTLCXIRD-GOSISDBHSA-N 1 3 306.519 3.630 20 0 DHADHO CC(C)Oc1ccc2ccccc2c1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000582725967 337125886 /nfs/dbraw/zinc/12/58/86/337125886.db2.gz IGOMXFHQJQGOGO-QRFRQXIXSA-N 1 3 324.468 3.796 20 0 DHADHO CC(C)[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000582786963 337164383 /nfs/dbraw/zinc/16/43/83/337164383.db2.gz ROSZQTPDJZMGAR-GOSISDBHSA-N 1 3 304.384 3.910 20 0 DHADHO Cc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)s1 ZINC000179169105 337168060 /nfs/dbraw/zinc/16/80/60/337168060.db2.gz GLLPNFBGYXSBJG-QAPCUYQASA-N 1 3 304.503 3.814 20 0 DHADHO Cc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)s1 ZINC000179169105 337168061 /nfs/dbraw/zinc/16/80/61/337168061.db2.gz GLLPNFBGYXSBJG-QAPCUYQASA-N 1 3 304.503 3.814 20 0 DHADHO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCCN1CCCC1 ZINC000583233151 337281354 /nfs/dbraw/zinc/28/13/54/337281354.db2.gz WLQZAWOCZOMBJS-FYWRMAATSA-N 1 3 324.415 3.767 20 0 DHADHO Cc1c[nH+]ccc1NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000192544884 337306266 /nfs/dbraw/zinc/30/62/66/337306266.db2.gz YFDGJTMKQSIKNL-OAHLLOKOSA-N 1 3 301.459 3.776 20 0 DHADHO Cc1c[nH+]ccc1NCC1CCN(Cc2cccs2)CC1 ZINC000192544299 337306291 /nfs/dbraw/zinc/30/62/91/337306291.db2.gz IDWPOZLKSGMNJQ-UHFFFAOYSA-N 1 3 301.459 3.776 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000584437481 337325284 /nfs/dbraw/zinc/32/52/84/337325284.db2.gz KSTSIVBVSHGJEU-VQIMIIECSA-N 1 3 318.480 3.811 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000584437481 337325285 /nfs/dbraw/zinc/32/52/85/337325285.db2.gz KSTSIVBVSHGJEU-VQIMIIECSA-N 1 3 318.480 3.811 20 0 DHADHO c1csc(CN(CC[C@@H]2CC[NH2+]C2)Cc2cccs2)c1 ZINC000420321714 337499982 /nfs/dbraw/zinc/49/99/82/337499982.db2.gz RLFJUBPKAJHEKR-AWEZNQCLSA-N 1 3 306.500 3.811 20 0 DHADHO FC(F)(F)c1cccc([C@H](NC[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420391900 337500455 /nfs/dbraw/zinc/50/04/55/337500455.db2.gz BFWXDWRINWZFFA-BLLLJJGKSA-N 1 3 312.379 3.746 20 0 DHADHO Cc1[nH]c2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2c1C ZINC000422724570 337684063 /nfs/dbraw/zinc/68/40/63/337684063.db2.gz WAWRFNOWDCSLQV-YTQUADARSA-N 1 3 311.473 3.795 20 0 DHADHO Cc1cccnc1[C@@H](N[C@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422749181 337685051 /nfs/dbraw/zinc/68/50/51/337685051.db2.gz XXEFDZYXNWEBGC-QAPCUYQASA-N 1 3 312.461 3.600 20 0 DHADHO NC[C@H]1CCC[C@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422758586 337685284 /nfs/dbraw/zinc/68/52/84/337685284.db2.gz KLAYHDQSCJGZCY-VQIMIIECSA-N 1 3 314.498 3.790 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(C(F)(F)F)c1 ZINC000422763509 337685479 /nfs/dbraw/zinc/68/54/79/337685479.db2.gz OTPSWKCDOJKMPB-LLVKDONJSA-N 1 3 323.362 3.718 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)Cc1cccs1 ZINC000422776228 337685979 /nfs/dbraw/zinc/68/59/79/337685979.db2.gz CIKMMAVRHMHTOY-DZJNRPSUSA-N 1 3 306.519 3.827 20 0 DHADHO C[C@H](OCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422786020 337686573 /nfs/dbraw/zinc/68/65/73/337686573.db2.gz NZBRBCBAONTHET-MTFMMBMASA-N 1 3 316.489 3.665 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000422794935 337687043 /nfs/dbraw/zinc/68/70/43/337687043.db2.gz UUOITSYNUDOOBL-ZIAGYGMSSA-N 1 3 315.486 3.680 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000422799039 337687082 /nfs/dbraw/zinc/68/70/82/337687082.db2.gz UTNCZCDKOKTOIT-RKTXRCNFSA-N 1 3 301.478 3.858 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000422811672 337687628 /nfs/dbraw/zinc/68/76/28/337687628.db2.gz VBIUAZIFLOGVAS-YRPNKDGESA-N 1 3 316.489 3.570 20 0 DHADHO COc1ccc(-c2csc(CN[C@H]3CCC[C@H]3C[NH3+])c2)cc1 ZINC000422829482 337688314 /nfs/dbraw/zinc/68/83/14/337688314.db2.gz UOZQHADECHXTBL-KSSFIOAISA-N 1 3 316.470 3.641 20 0 DHADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)c1cccc(C(F)(F)F)c1 ZINC000422910298 337690925 /nfs/dbraw/zinc/69/09/25/337690925.db2.gz QGDWCQWYZJRYJL-SWLSCSKDSA-N 1 3 314.395 3.700 20 0 DHADHO Fc1ccc(C2(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422901628 337693313 /nfs/dbraw/zinc/69/33/13/337693313.db2.gz SJGWCQQOWYZIKU-GUDVDZBRSA-N 1 3 316.464 3.758 20 0 DHADHO FC(F)(F)c1cccc([C@H](N[C@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000423011745 337695530 /nfs/dbraw/zinc/69/55/30/337695530.db2.gz BMFXCTQCYAMHSW-JKSUJKDBSA-N 1 3 312.379 3.888 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(OCc2ccccc2F)cc1 ZINC000423053772 337697428 /nfs/dbraw/zinc/69/74/28/337697428.db2.gz SXEZRECQLMKAOZ-GJZGRUSLSA-N 1 3 316.420 3.620 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423057627 337697524 /nfs/dbraw/zinc/69/75/24/337697524.db2.gz HNVSNTQXVGIHJJ-ZENOOKHLSA-N 1 3 314.395 3.787 20 0 DHADHO c1cc2cc(CCN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423113503 337700035 /nfs/dbraw/zinc/70/00/35/337700035.db2.gz YIKHDOVUWYNBLR-DFQSSKMNSA-N 1 3 311.473 3.611 20 0 DHADHO Fc1cccc(F)c1CC1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423162342 337702067 /nfs/dbraw/zinc/70/20/67/337702067.db2.gz PDJIRMHPUMFIRU-XYPWUTKMSA-N 1 3 320.427 3.502 20 0 DHADHO Clc1cccc([C@H]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423169218 337702228 /nfs/dbraw/zinc/70/22/28/337702228.db2.gz VRVIYJJAVGIFCX-IMLUKAASSA-N 1 3 304.865 3.849 20 0 DHADHO COc1ccc([C@H](CCC(C)C)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000423219090 337705156 /nfs/dbraw/zinc/70/51/56/337705156.db2.gz WBLXDEPKUMJSEN-LPHOPBHVSA-N 1 3 304.478 3.762 20 0 DHADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423256044 337707737 /nfs/dbraw/zinc/70/77/37/337707737.db2.gz DGFUTHZCHKHOPH-LSDHHAIUSA-N 1 3 315.486 3.850 20 0 DHADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)C1CCC(C(F)(F)F)CC1 ZINC000423274685 337708893 /nfs/dbraw/zinc/70/88/93/337708893.db2.gz KTJIAZSJJONWEC-UHKNOIMOSA-N 1 3 306.416 3.851 20 0 DHADHO [NH3+]CCCCN[C@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000423329994 337712220 /nfs/dbraw/zinc/71/22/20/337712220.db2.gz PIIRZCKTPSBPKO-HXUWFJFHSA-N 1 3 305.425 3.653 20 0 DHADHO c1ccc(C[C@@H]2CC[C@H]([NH2+]Cc3ccc4c(c3)CNC4)C2)cc1 ZINC000423372205 337715178 /nfs/dbraw/zinc/71/51/78/337715178.db2.gz GWRNPFYIBAQFTA-UWJYYQICSA-N 1 3 306.453 3.791 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423401484 337715733 /nfs/dbraw/zinc/71/57/33/337715733.db2.gz QXJQZXGSMZYPSA-SIUPPRGNSA-N 1 3 306.881 3.954 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(Br)c1 ZINC000423383688 337717903 /nfs/dbraw/zinc/71/79/03/337717903.db2.gz KOWYTQHSWVKWTM-MVWJERBFSA-N 1 3 315.230 3.509 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(Br)c1 ZINC000423383690 337717911 /nfs/dbraw/zinc/71/79/11/337717911.db2.gz KOWYTQHSWVKWTM-ZMLRMANQSA-N 1 3 315.230 3.509 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@H]1C[C@@H]1C ZINC000423467508 337720936 /nfs/dbraw/zinc/72/09/36/337720936.db2.gz JCWYYBPIAVNNPC-KJPFHJLXSA-N 1 3 304.453 3.543 20 0 DHADHO [NH3+]CCC[C@@H](N[C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000423501587 337723340 /nfs/dbraw/zinc/72/33/40/337723340.db2.gz CXNRNPNNMFIGJB-MOPGFXCFSA-N 1 3 310.441 3.839 20 0 DHADHO COc1ccsc1[C@@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423506361 337723727 /nfs/dbraw/zinc/72/37/27/337723727.db2.gz ILPSRDYBGAZWIV-HIFRSBDPSA-N 1 3 304.459 3.888 20 0 DHADHO C[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)[C@H]1CC12CC2 ZINC000527856519 337769457 /nfs/dbraw/zinc/76/94/57/337769457.db2.gz SPSFFMXWOJGLTC-WMLDXEAASA-N 1 3 304.503 3.738 20 0 DHADHO CCOc1ccccc1[C@@H](C)NCCC1CC[NH+](CC)CC1 ZINC000121801536 337901039 /nfs/dbraw/zinc/90/10/39/337901039.db2.gz DLHPRIBEJZMYKC-MRXNPFEDSA-N 1 3 304.478 3.858 20 0 DHADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429143680 338071864 /nfs/dbraw/zinc/07/18/64/338071864.db2.gz RMWQERNZVXDCTI-DOTOQJQBSA-N 1 3 324.921 3.991 20 0 DHADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429143680 338071865 /nfs/dbraw/zinc/07/18/65/338071865.db2.gz RMWQERNZVXDCTI-DOTOQJQBSA-N 1 3 324.921 3.991 20 0 DHADHO CCCCCOc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000430140267 338098678 /nfs/dbraw/zinc/09/86/78/338098678.db2.gz SYKIWPOOYJFLSN-FQEVSTJZSA-N 1 3 316.489 3.783 20 0 DHADHO CCCCCOc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000430140267 338098679 /nfs/dbraw/zinc/09/86/79/338098679.db2.gz SYKIWPOOYJFLSN-FQEVSTJZSA-N 1 3 316.489 3.783 20 0 DHADHO C[C@H](c1ccccc1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000431036425 338120986 /nfs/dbraw/zinc/12/09/86/338120986.db2.gz WIQZXFVXBKWCIG-CYBMUJFWSA-N 1 3 323.278 3.586 20 0 DHADHO CSC1(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000433097676 338181564 /nfs/dbraw/zinc/18/15/64/338181564.db2.gz ORBYZEXKNLLTCC-RDJZCZTQSA-N 1 3 310.551 3.905 20 0 DHADHO CSC1(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000433097676 338181565 /nfs/dbraw/zinc/18/15/65/338181565.db2.gz ORBYZEXKNLLTCC-RDJZCZTQSA-N 1 3 310.551 3.905 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+]CCCCOc1ccccc1 ZINC000438090702 338330833 /nfs/dbraw/zinc/33/08/33/338330833.db2.gz VLXHJMVVGPVZLR-SFHVURJKSA-N 1 3 304.478 3.700 20 0 DHADHO C[C@@H](CN1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000438100038 338331341 /nfs/dbraw/zinc/33/13/41/338331341.db2.gz YHYVESADGKAGOO-QFBILLFUSA-N 1 3 304.453 3.880 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438221794 338337106 /nfs/dbraw/zinc/33/71/06/338337106.db2.gz XRUWOOLKEJNXAY-RLLQIKCJSA-N 1 3 300.490 3.818 20 0 DHADHO Clc1cccc(CNCC2CC[NH+](C3CC3)CC2)c1Cl ZINC000446889332 338539688 /nfs/dbraw/zinc/53/96/88/338539688.db2.gz VOUWJVVMMHTWGZ-UHFFFAOYSA-N 1 3 313.272 3.957 20 0 DHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cc3cccnc3o2)C1 ZINC000449082525 338591660 /nfs/dbraw/zinc/59/16/60/338591660.db2.gz NWLSALFVWIGWIP-HZPDHXFCSA-N 1 3 315.461 3.676 20 0 DHADHO C[C@H](Cc1ccoc1)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000449104148 338593830 /nfs/dbraw/zinc/59/38/30/338593830.db2.gz DNYZDKWSKBJBOS-OAHLLOKOSA-N 1 3 318.486 3.774 20 0 DHADHO CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459424758 339028346 /nfs/dbraw/zinc/02/83/46/339028346.db2.gz JPKFXCFRVZJBKZ-SJLPKXTDSA-N 1 3 301.478 3.855 20 0 DHADHO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459434227 339029050 /nfs/dbraw/zinc/02/90/50/339029050.db2.gz HKHNJVVHBWITLG-MAUKXSAKSA-N 1 3 301.478 3.855 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2cnc(-c3cccs3)s2)C1 ZINC000459723138 339044399 /nfs/dbraw/zinc/04/43/99/339044399.db2.gz CRYBNEWDTYXKFB-CYBMUJFWSA-N 1 3 321.515 3.693 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2cnc(-c3cccs3)s2)C1 ZINC000459723138 339044400 /nfs/dbraw/zinc/04/44/00/339044400.db2.gz CRYBNEWDTYXKFB-CYBMUJFWSA-N 1 3 321.515 3.693 20 0 DHADHO Clc1cccc(CC2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000459725347 339044502 /nfs/dbraw/zinc/04/45/02/339044502.db2.gz ZTRFSZXISHDILK-ROUUACIJSA-N 1 3 318.892 3.879 20 0 DHADHO Clc1cccc(CC2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000459725347 339044503 /nfs/dbraw/zinc/04/45/03/339044503.db2.gz ZTRFSZXISHDILK-ROUUACIJSA-N 1 3 318.892 3.879 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2ncc(-c3ccccc3)s2)C1 ZINC000459737489 339045382 /nfs/dbraw/zinc/04/53/82/339045382.db2.gz RJMQGQGOQPPLQT-OAHLLOKOSA-N 1 3 315.486 3.632 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2ncc(-c3ccccc3)s2)C1 ZINC000459737489 339045383 /nfs/dbraw/zinc/04/53/83/339045383.db2.gz RJMQGQGOQPPLQT-OAHLLOKOSA-N 1 3 315.486 3.632 20 0 DHADHO CC(C)(C)O[C@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000459741582 339045631 /nfs/dbraw/zinc/04/56/31/339045631.db2.gz APOAKXKLFUFKDK-HOTGVXAUSA-N 1 3 310.526 3.821 20 0 DHADHO CC(C)COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000166376180 339053218 /nfs/dbraw/zinc/05/32/18/339053218.db2.gz RQVDRSNAGFEFQN-SOLBZPMBSA-N 1 3 304.478 3.855 20 0 DHADHO CC(C)COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000166376180 339053219 /nfs/dbraw/zinc/05/32/19/339053219.db2.gz RQVDRSNAGFEFQN-SOLBZPMBSA-N 1 3 304.478 3.855 20 0 DHADHO CC(C)O[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000463014138 339100479 /nfs/dbraw/zinc/10/04/79/339100479.db2.gz UFRKMKASLLFBDL-OALUTQOASA-N 1 3 322.537 3.965 20 0 DHADHO CC(C)O[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000463014138 339100480 /nfs/dbraw/zinc/10/04/80/339100480.db2.gz UFRKMKASLLFBDL-OALUTQOASA-N 1 3 322.537 3.965 20 0 DHADHO C[C@H](CC(F)(F)F)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463278336 339113013 /nfs/dbraw/zinc/11/30/13/339113013.db2.gz VNVPCWWXUIFEQJ-IJEWVQPXSA-N 1 3 314.395 3.970 20 0 DHADHO C[C@H](CC(F)(F)F)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463278336 339113014 /nfs/dbraw/zinc/11/30/14/339113014.db2.gz VNVPCWWXUIFEQJ-IJEWVQPXSA-N 1 3 314.395 3.970 20 0 DHADHO C[N@H+](CCCN1CCCCC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463445239 339117993 /nfs/dbraw/zinc/11/79/93/339117993.db2.gz UEOVXYIOQSSCNU-CABCVRRESA-N 1 3 306.416 3.915 20 0 DHADHO C[N@@H+](CCCN1CCCCC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463445239 339117994 /nfs/dbraw/zinc/11/79/94/339117994.db2.gz UEOVXYIOQSSCNU-CABCVRRESA-N 1 3 306.416 3.915 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000467435341 339238429 /nfs/dbraw/zinc/23/84/29/339238429.db2.gz XVRKJWFJBTVJHC-SOLBZPMBSA-N 1 3 304.478 3.714 20 0 DHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4cccc(F)c4)s3)C[C@H]12 ZINC000469886030 339303740 /nfs/dbraw/zinc/30/37/40/339303740.db2.gz ZLFHHXJJXNYWSB-XOKHGSTOSA-N 1 3 316.445 3.723 20 0 DHADHO C[C@H](CCc1ccccc1)CN1CCC([NH2+]CC2CC2)CC1 ZINC000470016241 339308706 /nfs/dbraw/zinc/30/87/06/339308706.db2.gz DPMSRCXOPULKIU-QGZVFWFLSA-N 1 3 300.490 3.719 20 0 DHADHO CC[N@@H+]1CC[C@@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@H](C)C1 ZINC000470165054 339312350 /nfs/dbraw/zinc/31/23/50/339312350.db2.gz CTSANDQPNJQAPN-AUUYWEPGSA-N 1 3 313.489 3.913 20 0 DHADHO CC[N@H+]1CC[C@@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@H](C)C1 ZINC000470165054 339312351 /nfs/dbraw/zinc/31/23/51/339312351.db2.gz CTSANDQPNJQAPN-AUUYWEPGSA-N 1 3 313.489 3.913 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OCC(C)C)[C@@H](C)C1 ZINC000471238845 339340912 /nfs/dbraw/zinc/34/09/12/339340912.db2.gz MTYHPPDLVSWMJP-HKUYNNGSSA-N 1 3 318.505 3.884 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OCC(C)C)[C@@H](C)C1 ZINC000471238845 339340913 /nfs/dbraw/zinc/34/09/13/339340913.db2.gz MTYHPPDLVSWMJP-HKUYNNGSSA-N 1 3 318.505 3.884 20 0 DHADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@H](CSc2ccccc2)C1 ZINC000472575624 339374064 /nfs/dbraw/zinc/37/40/64/339374064.db2.gz UZCPZJXLEGNBDM-ROUUACIJSA-N 1 3 318.530 3.975 20 0 DHADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@H](CSc2ccccc2)C1 ZINC000472575624 339374065 /nfs/dbraw/zinc/37/40/65/339374065.db2.gz UZCPZJXLEGNBDM-ROUUACIJSA-N 1 3 318.530 3.975 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)[C@@H](C)C1 ZINC000473142408 339382625 /nfs/dbraw/zinc/38/26/25/339382625.db2.gz IUFKVJYELAOCKA-YWZLYKJASA-N 1 3 313.489 3.947 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)[C@@H](C)C1 ZINC000473142408 339382626 /nfs/dbraw/zinc/38/26/26/339382626.db2.gz IUFKVJYELAOCKA-YWZLYKJASA-N 1 3 313.489 3.947 20 0 DHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000474052676 339399375 /nfs/dbraw/zinc/39/93/75/339399375.db2.gz BPTXLAFIQJAIDL-KHYOSLBOSA-N 1 3 316.489 3.880 20 0 DHADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)C(C)C)CC2)c1 ZINC000480218327 339563919 /nfs/dbraw/zinc/56/39/19/339563919.db2.gz CBUFLTDBHUZKFI-IBGZPJMESA-N 1 3 317.521 3.531 20 0 DHADHO CCC[C@H](C)[C@H](CC)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000483520167 339667999 /nfs/dbraw/zinc/66/79/99/339667999.db2.gz SSZVNOICIMSYQO-OALUTQOASA-N 1 3 323.569 3.741 20 0 DHADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000484505729 339688565 /nfs/dbraw/zinc/68/85/65/339688565.db2.gz VSKITCCOIALGOY-MDZRGWNJSA-N 1 3 304.478 3.856 20 0 DHADHO CCc1cccc(OCCN2CCC(C[NH+](CC)CC)CC2)c1 ZINC000488403172 339779758 /nfs/dbraw/zinc/77/97/58/339779758.db2.gz BWJSTXPYLUWBRW-UHFFFAOYSA-N 1 3 318.505 3.682 20 0 DHADHO CC(C)C[C@H](C)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000499597003 340040293 /nfs/dbraw/zinc/04/02/93/340040293.db2.gz AKXDFFWWMGDVBQ-KRWDZBQOSA-N 1 3 303.494 3.912 20 0 DHADHO CC(C)C[C@H](C)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000499597003 340040294 /nfs/dbraw/zinc/04/02/94/340040294.db2.gz AKXDFFWWMGDVBQ-KRWDZBQOSA-N 1 3 303.494 3.912 20 0 DHADHO C[C@@H](CN1CC[C@@H](C[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500122524 340050738 /nfs/dbraw/zinc/05/07/38/340050738.db2.gz IVRVQDKAILCYRG-KBPBESRZSA-N 1 3 314.395 3.692 20 0 DHADHO C[NH+](C)CCCC1CCN(CCSc2ccc(F)cc2)CC1 ZINC000501772303 340088387 /nfs/dbraw/zinc/08/83/87/340088387.db2.gz FJARNEILEWXVRY-UHFFFAOYSA-N 1 3 324.509 3.972 20 0 DHADHO Cc1cc2cc(CNCC3(C)CC[NH+](C)CC3)oc2cc1C ZINC000503907989 340136283 /nfs/dbraw/zinc/13/62/83/340136283.db2.gz BPUUTACWVMCZRZ-UHFFFAOYSA-N 1 3 300.446 3.871 20 0 DHADHO C[NH+]1CCC(C)(CNCc2cnc(-c3ccccc3)s2)CC1 ZINC000503937132 340137621 /nfs/dbraw/zinc/13/76/21/340137621.db2.gz PPMRIVLFGCSTIH-UHFFFAOYSA-N 1 3 315.486 3.632 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000506866460 340203054 /nfs/dbraw/zinc/20/30/54/340203054.db2.gz JFIQKLFHUIPGDC-UHFFFAOYSA-N 1 3 316.489 3.565 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000506866460 340203055 /nfs/dbraw/zinc/20/30/55/340203055.db2.gz JFIQKLFHUIPGDC-UHFFFAOYSA-N 1 3 316.489 3.565 20 0 DHADHO COCc1ccccc1/C=C(\C)CN1CCC(C[NH+](C)C)CC1 ZINC000507209148 340213588 /nfs/dbraw/zinc/21/35/88/340213588.db2.gz HTNFCJOQKPUEDZ-GHRIWEEISA-N 1 3 316.489 3.510 20 0 DHADHO CC[C@H](CSC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507520028 340224138 /nfs/dbraw/zinc/22/41/38/340224138.db2.gz MMBRNOUGMNTIDD-ZSYWTGECSA-N 1 3 318.530 3.628 20 0 DHADHO CC[C@@H]1C[C@@H](CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000507802429 340232107 /nfs/dbraw/zinc/23/21/07/340232107.db2.gz HDAPAQAZQVATSU-SLFFLAALSA-N 1 3 322.537 3.780 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2CCCF)cc1 ZINC000510752800 340309809 /nfs/dbraw/zinc/30/98/09/340309809.db2.gz NYWRGRAGPKHOJP-HKUYNNGSSA-N 1 3 322.468 3.635 20 0 DHADHO COCC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)(C)C ZINC000510934381 340315437 /nfs/dbraw/zinc/31/54/37/340315437.db2.gz YLPBPVUPPXTRHX-SFHVURJKSA-N 1 3 310.526 3.824 20 0 DHADHO COCc1ccccc1/C=C(/C)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000511456052 340327630 /nfs/dbraw/zinc/32/76/30/340327630.db2.gz VRSFDKDGPARURA-WASAWGCPSA-N 1 3 316.489 3.699 20 0 DHADHO COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000511456052 340327631 /nfs/dbraw/zinc/32/76/31/340327631.db2.gz VRSFDKDGPARURA-WASAWGCPSA-N 1 3 316.489 3.699 20 0 DHADHO C[NH+](C)CCC1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000511506300 340329015 /nfs/dbraw/zinc/32/90/15/340329015.db2.gz ICMCYODLZJKOFV-UHFFFAOYSA-N 1 3 316.489 3.564 20 0 DHADHO CC(C)CN1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000512083374 340348131 /nfs/dbraw/zinc/34/81/31/340348131.db2.gz JWSJKQGNISHIJT-ONEGZZNKSA-N 1 3 308.416 3.688 20 0 DHADHO CCCCN1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512115638 340348919 /nfs/dbraw/zinc/34/89/19/340348919.db2.gz QMDLBBIFKWACQV-PLNGDYQASA-N 1 3 308.416 3.832 20 0 DHADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000512444453 340362012 /nfs/dbraw/zinc/36/20/12/340362012.db2.gz PAYGWMFNZFQICS-UHFFFAOYSA-N 1 3 312.379 3.766 20 0 DHADHO CN1CCC2(CCC[N@H+]2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000512444453 340362013 /nfs/dbraw/zinc/36/20/13/340362013.db2.gz PAYGWMFNZFQICS-UHFFFAOYSA-N 1 3 312.379 3.766 20 0 DHADHO C[NH+]1CCC2(CCCN2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000512444453 340362014 /nfs/dbraw/zinc/36/20/14/340362014.db2.gz PAYGWMFNZFQICS-UHFFFAOYSA-N 1 3 312.379 3.766 20 0 DHADHO COc1cc(-c2ccccc2)ccc1CNCCCC[NH+](C)C ZINC000512466692 340362939 /nfs/dbraw/zinc/36/29/39/340362939.db2.gz WTMRFYNFAWKHJA-UHFFFAOYSA-N 1 3 312.457 3.794 20 0 DHADHO CCC1(C[NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000512964252 340385861 /nfs/dbraw/zinc/38/58/61/340385861.db2.gz NZMWRIGABBPWGS-MJGOQNOKSA-N 1 3 322.537 3.826 20 0 DHADHO CC(C)CC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000513238249 340399012 /nfs/dbraw/zinc/39/90/12/340399012.db2.gz KQQVDVVAXPWOBM-RLLQIKCJSA-N 1 3 324.553 3.806 20 0 DHADHO CC(C)CC[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000513238249 340399013 /nfs/dbraw/zinc/39/90/13/340399013.db2.gz KQQVDVVAXPWOBM-RLLQIKCJSA-N 1 3 324.553 3.806 20 0 DHADHO CC(C)CCC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192758376 340569534 /nfs/dbraw/zinc/56/95/34/340569534.db2.gz YIIQRKVLWVTYIB-UHFFFAOYSA-N 1 3 323.569 3.551 20 0 DHADHO CCC(CC)(C[NH2+]C1CCN(c2ccncc2)CC1)SC ZINC000232863963 340638600 /nfs/dbraw/zinc/63/86/00/340638600.db2.gz FVZADHODPDAIKQ-UHFFFAOYSA-N 1 3 307.507 3.562 20 0 DHADHO Clc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000530244687 340783568 /nfs/dbraw/zinc/78/35/68/340783568.db2.gz MRJUMWZWVOFBFK-FJIDUMEYSA-N 1 3 304.865 3.838 20 0 DHADHO Cc1cccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1C ZINC000537971862 340794539 /nfs/dbraw/zinc/79/45/39/340794539.db2.gz KGRUCHWEDOFWMD-LMMKCTJWSA-N 1 3 318.505 3.843 20 0 DHADHO CC(C)[C@H](C)C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540491571 340933327 /nfs/dbraw/zinc/93/33/27/340933327.db2.gz DVLKUTFIPHYWAE-AEFFLSMTSA-N 1 3 316.489 3.856 20 0 DHADHO CC(C)[N@H+](C)CC1CCN(CCc2cccc(F)c2F)CC1 ZINC000542277109 341003009 /nfs/dbraw/zinc/00/30/09/341003009.db2.gz KCBDGZUXARGMAW-UHFFFAOYSA-N 1 3 310.432 3.560 20 0 DHADHO CC(C)[N@@H+](C)CC1CCN(CCc2cccc(F)c2F)CC1 ZINC000542277109 341003010 /nfs/dbraw/zinc/00/30/10/341003010.db2.gz KCBDGZUXARGMAW-UHFFFAOYSA-N 1 3 310.432 3.560 20 0 DHADHO C[C@@H]([NH2+]CCCCC(F)(F)F)[C@H]1CCCN(C2CCC2)C1 ZINC000542533373 341012487 /nfs/dbraw/zinc/01/24/87/341012487.db2.gz UXTWCWIUBUJKSI-KGLIPLIRSA-N 1 3 306.416 3.962 20 0 DHADHO Cc1ccc([C@@H]([NH2+]C2CCN(CC3CC3)CC2)C2CCC2)o1 ZINC000542671567 341016730 /nfs/dbraw/zinc/01/67/30/341016730.db2.gz URGYFMBUQNOUHN-IBGZPJMESA-N 1 3 302.462 3.893 20 0 DHADHO CN1CC=C(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000542697426 341017721 /nfs/dbraw/zinc/01/77/21/341017721.db2.gz PCEWGLQGXISIES-AEFFLSMTSA-N 1 3 304.865 3.828 20 0 DHADHO C[C@@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)CN1CCCCC1 ZINC000564298457 341151173 /nfs/dbraw/zinc/15/11/73/341151173.db2.gz KYICOEPCWIORKS-ASFAAARLSA-N 1 3 322.443 3.922 20 0 DHADHO C[C@@H](CNC1CC(c2cc(F)cc(F)c2)C1)C[NH+]1CCCCC1 ZINC000564298457 341151174 /nfs/dbraw/zinc/15/11/74/341151174.db2.gz KYICOEPCWIORKS-ASFAAARLSA-N 1 3 322.443 3.922 20 0 DHADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccccc1N(C)C ZINC000546227334 341157986 /nfs/dbraw/zinc/15/79/86/341157986.db2.gz VGFIDPUSVAVULC-INIZCTEOSA-N 1 3 303.494 3.525 20 0 DHADHO C[NH+]1CCC(CCNCc2c(Cl)cccc2Cl)CC1 ZINC000134404655 341214854 /nfs/dbraw/zinc/21/48/54/341214854.db2.gz NSCVMMZDJOJBRV-UHFFFAOYSA-N 1 3 301.261 3.815 20 0 DHADHO Cc1cc(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000237503199 341214953 /nfs/dbraw/zinc/21/49/53/341214953.db2.gz XHTPVVLWPCXKFO-RTBURBONSA-N 1 3 318.505 3.591 20 0 DHADHO C[C@@H]1CCCCCN1CC1(C[N@@H+]2CCCCC[C@H]2C)COC1 ZINC000547623642 341223619 /nfs/dbraw/zinc/22/36/19/341223619.db2.gz UGTMDBSPCZUTTP-QZTJIDSGSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H]1CCCCCN1CC1(C[N@H+]2CCCCC[C@H]2C)COC1 ZINC000547623642 341223620 /nfs/dbraw/zinc/22/36/20/341223620.db2.gz UGTMDBSPCZUTTP-QZTJIDSGSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)CN1CCCCC1 ZINC000549147033 341287305 /nfs/dbraw/zinc/28/73/05/341287305.db2.gz CQYIYVVOKVYNOZ-UMGGQSCQSA-N 1 3 300.490 3.890 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@H](c2ccccc2)C2CC2)C[C@@H](C)O1 ZINC000245982442 341321001 /nfs/dbraw/zinc/32/10/01/341321001.db2.gz GZJSAOINMRYRAC-MBOZVWFJSA-N 1 3 316.489 3.617 20 0 DHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1COc2ccccc2C1 ZINC000551005691 341328992 /nfs/dbraw/zinc/32/89/92/341328992.db2.gz OAIYKKOGDZOGET-HXUWFJFHSA-N 1 3 324.468 3.620 20 0 DHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1COc2ccccc2C1 ZINC000551005691 341328993 /nfs/dbraw/zinc/32/89/93/341328993.db2.gz OAIYKKOGDZOGET-HXUWFJFHSA-N 1 3 324.468 3.620 20 0 DHADHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCC3(C)C)CC2)cc1 ZINC000551530335 341344091 /nfs/dbraw/zinc/34/40/91/341344091.db2.gz RLUGFFISMLJURE-IBGZPJMESA-N 1 3 316.489 3.685 20 0 DHADHO CC(C)[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1CC1 ZINC000551815621 341352852 /nfs/dbraw/zinc/35/28/52/341352852.db2.gz CMZDPWLYTVAIMR-FQEVSTJZSA-N 1 3 316.489 3.684 20 0 DHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000246822810 341357417 /nfs/dbraw/zinc/35/74/17/341357417.db2.gz AABWRRRDUBBGNA-OWCLPIDISA-N 1 3 324.896 3.880 20 0 DHADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000247095092 341360976 /nfs/dbraw/zinc/36/09/76/341360976.db2.gz PSPYQIAITBIXAY-LPMFXHHGSA-N 1 3 302.437 3.523 20 0 DHADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000247095092 341360977 /nfs/dbraw/zinc/36/09/77/341360977.db2.gz PSPYQIAITBIXAY-LPMFXHHGSA-N 1 3 302.437 3.523 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@H+](CC)C[C@H]1C)Oc1ccccc1Cl ZINC000247175997 341361895 /nfs/dbraw/zinc/36/18/95/341361895.db2.gz SVYXOGAKXDPXRN-BFYDXBDKSA-N 1 3 324.896 3.817 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@H]1C)Oc1ccccc1Cl ZINC000247175997 341361896 /nfs/dbraw/zinc/36/18/96/341361896.db2.gz SVYXOGAKXDPXRN-BFYDXBDKSA-N 1 3 324.896 3.817 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc(C)c2)[C@@H](C)C1 ZINC000248202148 341374764 /nfs/dbraw/zinc/37/47/64/341374764.db2.gz ZAGRSGWCBSBBDV-NSHGMRRFSA-N 1 3 318.505 3.783 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cccc(C)c2)[C@@H](C)C1 ZINC000248202148 341374765 /nfs/dbraw/zinc/37/47/65/341374765.db2.gz ZAGRSGWCBSBBDV-NSHGMRRFSA-N 1 3 318.505 3.783 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Oc1ccccc1Cl ZINC000552276162 341383265 /nfs/dbraw/zinc/38/32/65/341383265.db2.gz NOUXDTOGEFXPMD-SRABZTEZSA-N 1 3 322.880 3.570 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Oc1ccccc1Cl ZINC000552276162 341383266 /nfs/dbraw/zinc/38/32/66/341383266.db2.gz NOUXDTOGEFXPMD-SRABZTEZSA-N 1 3 322.880 3.570 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Oc1ccccc1Cl ZINC000552276163 341383271 /nfs/dbraw/zinc/38/32/71/341383271.db2.gz NOUXDTOGEFXPMD-WTTBNOFXSA-N 1 3 322.880 3.570 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Oc1ccccc1Cl ZINC000552276163 341383272 /nfs/dbraw/zinc/38/32/72/341383272.db2.gz NOUXDTOGEFXPMD-WTTBNOFXSA-N 1 3 322.880 3.570 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCC3(CCCCC3)O2)[C@@H](C)C1 ZINC000248887267 341389431 /nfs/dbraw/zinc/38/94/31/341389431.db2.gz YAJYHJHOCPPNOF-BZSNNMDCSA-N 1 3 308.510 3.530 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCC3(CCCCC3)O2)[C@@H](C)C1 ZINC000248887267 341389432 /nfs/dbraw/zinc/38/94/32/341389432.db2.gz YAJYHJHOCPPNOF-BZSNNMDCSA-N 1 3 308.510 3.530 20 0 DHADHO CCOC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000248956335 341390720 /nfs/dbraw/zinc/39/07/20/341390720.db2.gz AORZJCMCRQLXOX-QRQLOZEOSA-N 1 3 310.526 3.680 20 0 DHADHO CCOC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000248956335 341390721 /nfs/dbraw/zinc/39/07/21/341390721.db2.gz AORZJCMCRQLXOX-QRQLOZEOSA-N 1 3 310.526 3.680 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NC/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000576755029 341861639 /nfs/dbraw/zinc/86/16/39/341861639.db2.gz BOCOMWKMOJAYAB-QQSUMNJZSA-N 1 3 324.468 3.994 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NC/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000576755030 341861674 /nfs/dbraw/zinc/86/16/74/341861674.db2.gz BOCOMWKMOJAYAB-TYKASLFTSA-N 1 3 324.468 3.994 20 0 DHADHO COc1ccc(C2CCC([NH2+]CCCNC(C)C)CC2)cc1 ZINC000577383033 341907149 /nfs/dbraw/zinc/90/71/49/341907149.db2.gz KUNMOZSUZJTAOM-UHFFFAOYSA-N 1 3 304.478 3.699 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000249377562 521717891 /nfs/dbraw/zinc/71/78/91/521717891.db2.gz MHRMYQZDIIUXGL-CHWSQXEVSA-N 1 3 316.367 3.578 20 0 DHADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(-c2cccnc2)cc1 ZINC000181325519 525458262 /nfs/dbraw/zinc/45/82/62/525458262.db2.gz FQFFFYSRQZWHCW-OXQOHEQNSA-N 1 3 309.457 3.884 20 0 DHADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000156774691 525482656 /nfs/dbraw/zinc/48/26/56/525482656.db2.gz FEEQLFLHQVAZBJ-CVEARBPZSA-N 1 3 316.489 3.999 20 0 DHADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000156774691 525482660 /nfs/dbraw/zinc/48/26/60/525482660.db2.gz FEEQLFLHQVAZBJ-CVEARBPZSA-N 1 3 316.489 3.999 20 0 DHADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(F)c1 ZINC000162584533 525536306 /nfs/dbraw/zinc/53/63/06/525536306.db2.gz OCSLLJUUORLXMZ-OAHLLOKOSA-N 1 3 316.420 3.617 20 0 DHADHO C[C@@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000156166705 525681514 /nfs/dbraw/zinc/68/15/14/525681514.db2.gz OISYIJKCSDNSGI-JMSVASOKSA-N 1 3 311.267 3.582 20 0 DHADHO C[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000156166705 525681523 /nfs/dbraw/zinc/68/15/23/525681523.db2.gz OISYIJKCSDNSGI-JMSVASOKSA-N 1 3 311.267 3.582 20 0 DHADHO CC(F)(F)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000297436850 535206790 /nfs/dbraw/zinc/20/67/90/535206790.db2.gz VVSRWIVHTXASKY-BJWYYQGGSA-N 1 3 308.416 3.817 20 0 DHADHO CC(F)(F)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000297436850 535206802 /nfs/dbraw/zinc/20/68/02/535206802.db2.gz VVSRWIVHTXASKY-BJWYYQGGSA-N 1 3 308.416 3.817 20 0 DHADHO CN(C)Cc1ccc(-c2ccccc2C[NH2+]CC2(C)COC2)cc1 ZINC000285514647 535993357 /nfs/dbraw/zinc/99/33/57/535993357.db2.gz RCZBNAVZKNDAMZ-UHFFFAOYSA-N 1 3 324.468 3.541 20 0 DHADHO COc1ccc([C@@H](C)NCCCCC[NH+]2CCCCC2)cc1O ZINC000289515683 536886588 /nfs/dbraw/zinc/88/65/88/536886588.db2.gz ANHYRMGRBKFCPH-MRXNPFEDSA-N 1 3 320.477 3.708 20 0 DHADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000289211428 537020983 /nfs/dbraw/zinc/02/09/83/537020983.db2.gz KMNOYQAYBGYHMK-PBHICJAKSA-N 1 3 320.452 3.532 20 0 DHADHO COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000289295333 537022183 /nfs/dbraw/zinc/02/21/83/537022183.db2.gz RMPXZTGBKGFVIF-MRXNPFEDSA-N 1 3 320.452 3.674 20 0 DHADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649361 1013207464 /nfs/dbraw/zinc/20/74/64/1013207464.db2.gz KUQGXZZMFQPLSD-OLZOCXBDSA-N 1 3 323.278 3.584 20 0 DHADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649361 1013207471 /nfs/dbraw/zinc/20/74/71/1013207471.db2.gz KUQGXZZMFQPLSD-OLZOCXBDSA-N 1 3 323.278 3.584 20 0 DHADHO c1ccc(OCCN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000058470722 1013264180 /nfs/dbraw/zinc/26/41/80/1013264180.db2.gz LBIUCQANBFQDCT-UHFFFAOYSA-N 1 3 316.489 3.653 20 0 DHADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441397493 1013734583 /nfs/dbraw/zinc/73/45/83/1013734583.db2.gz WRKRSRVYEOJGBC-UMGGQSCQSA-N 1 3 320.521 3.530 20 0 DHADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441397493 1013734590 /nfs/dbraw/zinc/73/45/90/1013734590.db2.gz WRKRSRVYEOJGBC-UMGGQSCQSA-N 1 3 320.521 3.530 20 0 DHADHO CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000655838701 1013761866 /nfs/dbraw/zinc/76/18/66/1013761866.db2.gz HSPTWIORSWGRRS-SAABIXHNSA-N 1 3 308.510 3.719 20 0 DHADHO CC(C)(C)O[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000655838701 1013761874 /nfs/dbraw/zinc/76/18/74/1013761874.db2.gz HSPTWIORSWGRRS-SAABIXHNSA-N 1 3 308.510 3.719 20 0 DHADHO CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[C@H]1CCCCO1 ZINC000655849059 1013778857 /nfs/dbraw/zinc/77/88/57/1013778857.db2.gz MEEPDWODHKIFHE-IJXRJRJASA-N 1 3 322.537 3.967 20 0 DHADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1F ZINC000340471213 1013838653 /nfs/dbraw/zinc/83/86/53/1013838653.db2.gz SYIJRHYKDWZXQK-XHSDSOJGSA-N 1 3 307.457 3.629 20 0 DHADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1F ZINC000340471213 1013838661 /nfs/dbraw/zinc/83/86/61/1013838661.db2.gz SYIJRHYKDWZXQK-XHSDSOJGSA-N 1 3 307.457 3.629 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000624306566 1014261945 /nfs/dbraw/zinc/26/19/45/1014261945.db2.gz IFHDXFGSCRCACS-UHFFFAOYSA-N 1 3 314.395 3.755 20 0 DHADHO c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001167429366 1014282310 /nfs/dbraw/zinc/28/23/10/1014282310.db2.gz ISPCXEMLFRJKFS-ICSRJNTNSA-N 1 3 312.501 3.914 20 0 DHADHO c1ccc2c(c1)CC[C@H]2CC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001167429366 1014282348 /nfs/dbraw/zinc/28/23/48/1014282348.db2.gz ISPCXEMLFRJKFS-ICSRJNTNSA-N 1 3 312.501 3.914 20 0 DHADHO c1ccc2c(c1)CC[C@H]2CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001167429366 1014282357 /nfs/dbraw/zinc/28/23/57/1014282357.db2.gz ISPCXEMLFRJKFS-ICSRJNTNSA-N 1 3 312.501 3.914 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(-c2cccs2)cc1 ZINC000665237617 1014510141 /nfs/dbraw/zinc/51/01/41/1014510141.db2.gz FPJMGVJKKUPXDU-RHSMWYFYSA-N 1 3 300.471 3.893 20 0 DHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(F)cc2)c1 ZINC000065976598 1014614748 /nfs/dbraw/zinc/61/47/48/1014614748.db2.gz SOIILNKTHWOLRT-UHFFFAOYSA-N 1 3 300.421 3.956 20 0 DHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(F)cc2)c1 ZINC000065976598 1014614752 /nfs/dbraw/zinc/61/47/52/1014614752.db2.gz SOIILNKTHWOLRT-UHFFFAOYSA-N 1 3 300.421 3.956 20 0 DHADHO Cc1cccc2c1CCC[C@H]2[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000665282920 1014678376 /nfs/dbraw/zinc/67/83/76/1014678376.db2.gz DXKPBTPRKSMAMP-FOIQADDNSA-N 1 3 309.457 3.885 20 0 DHADHO CC[NH+]1CCC(N[C@@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000204973700 1014998791 /nfs/dbraw/zinc/99/87/91/1014998791.db2.gz PATIPMKPTOTSCW-LJQANCHMSA-N 1 3 311.473 3.928 20 0 DHADHO CC(C)Oc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000051907785 1015128804 /nfs/dbraw/zinc/12/88/04/1015128804.db2.gz WHIAMADEQLZFMS-UHFFFAOYSA-N 1 3 316.489 3.782 20 0 DHADHO CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)CCO2 ZINC000161043337 1015385775 /nfs/dbraw/zinc/38/57/75/1015385775.db2.gz MBRGXZANVJOYKF-BZSNNMDCSA-N 1 3 302.462 3.535 20 0 DHADHO CCc1cccc(F)c1C[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000474818695 1015618770 /nfs/dbraw/zinc/61/87/70/1015618770.db2.gz UQMQNFIOWVDVLJ-UHFFFAOYSA-N 1 3 318.411 3.879 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000341695211 1015674584 /nfs/dbraw/zinc/67/45/84/1015674584.db2.gz JZBJATRPXVSYFO-HNAYVOBHSA-N 1 3 304.453 3.913 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(F)c(F)c1F ZINC000657311210 1016281744 /nfs/dbraw/zinc/28/17/44/1016281744.db2.gz IDZWGDGGYCVKHP-ZDUSSCGKSA-N 1 3 314.395 3.848 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(F)c(F)c1F ZINC000657311210 1016281748 /nfs/dbraw/zinc/28/17/48/1016281748.db2.gz IDZWGDGGYCVKHP-ZDUSSCGKSA-N 1 3 314.395 3.848 20 0 DHADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000171133708 1016538919 /nfs/dbraw/zinc/53/89/19/1016538919.db2.gz UOVNPANCGRYBPA-LJQANCHMSA-N 1 3 310.441 3.752 20 0 DHADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339068216 1016788845 /nfs/dbraw/zinc/78/88/45/1016788845.db2.gz MRWHOCCYYCXNNG-MDNKFWRPSA-N 1 3 316.489 3.617 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339068216 1016788857 /nfs/dbraw/zinc/78/88/57/1016788857.db2.gz MRWHOCCYYCXNNG-MDNKFWRPSA-N 1 3 316.489 3.617 20 0 DHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000671297550 1016880273 /nfs/dbraw/zinc/88/02/73/1016880273.db2.gz ZOCBBHHFTWMZBT-UXANRKEVSA-N 1 3 316.489 3.650 20 0 DHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000671297545 1016881147 /nfs/dbraw/zinc/88/11/47/1016881147.db2.gz ZOCBBHHFTWMZBT-DCFGKBGTSA-N 1 3 316.489 3.650 20 0 DHADHO CCOc1ccc(C[NH2+]C2CC(N3CCCCC3)C2)c(C)c1 ZINC000657456954 1016902135 /nfs/dbraw/zinc/90/21/35/1016902135.db2.gz CMFDKWQVSNAKNG-UHFFFAOYSA-N 1 3 302.462 3.500 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2c(C)cccc2C)C[C@H]1C ZINC001167589891 1017040499 /nfs/dbraw/zinc/04/04/99/1017040499.db2.gz JPOZMWFXNWHTRT-RTBURBONSA-N 1 3 318.505 3.877 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCCOc2c(C)cccc2C)C[C@H]1C ZINC001167589891 1017040507 /nfs/dbraw/zinc/04/05/07/1017040507.db2.gz JPOZMWFXNWHTRT-RTBURBONSA-N 1 3 318.505 3.877 20 0 DHADHO C[C@@H]1C[N@@H+](C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)[C@H](C)CO1 ZINC001168057785 1017046642 /nfs/dbraw/zinc/04/66/42/1017046642.db2.gz NTXYTSLHTUMTAA-BRSBDYLESA-N 1 3 316.489 3.537 20 0 DHADHO C[C@@H]1C[N@H+](C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)[C@H](C)CO1 ZINC001168057785 1017046654 /nfs/dbraw/zinc/04/66/54/1017046654.db2.gz NTXYTSLHTUMTAA-BRSBDYLESA-N 1 3 316.489 3.537 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@@H]2N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623437798 1017055741 /nfs/dbraw/zinc/05/57/41/1017055741.db2.gz ZQVGNHMXGKUIMJ-FHWLQOOXSA-N 1 3 316.489 3.678 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@@H]2N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623437798 1017055744 /nfs/dbraw/zinc/05/57/44/1017055744.db2.gz ZQVGNHMXGKUIMJ-FHWLQOOXSA-N 1 3 316.489 3.678 20 0 DHADHO CCC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(OC)cc1 ZINC000361972742 1032178140 /nfs/dbraw/zinc/17/81/40/1032178140.db2.gz TZZWGKZZVLBWOF-AOIWGVFYSA-N 1 3 304.478 3.999 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000121228981 1032429049 /nfs/dbraw/zinc/42/90/49/1032429049.db2.gz RQDBJKJVNZVEEH-QWHCGFSZSA-N 1 3 316.367 3.578 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000121228981 1032429054 /nfs/dbraw/zinc/42/90/54/1032429054.db2.gz RQDBJKJVNZVEEH-QWHCGFSZSA-N 1 3 316.367 3.578 20 0 DHADHO CC(C)COc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000121212523 1032428670 /nfs/dbraw/zinc/42/86/70/1032428670.db2.gz GTILOLXTCHHOQS-SJORKVTESA-N 1 3 304.478 3.714 20 0 DHADHO CC(C)COc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000121212523 1032428676 /nfs/dbraw/zinc/42/86/76/1032428676.db2.gz GTILOLXTCHHOQS-SJORKVTESA-N 1 3 304.478 3.714 20 0 DHADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C1CCC(F)(F)CC1 ZINC000475205960 1017081820 /nfs/dbraw/zinc/08/18/20/1017081820.db2.gz AXYBFACIYGOEDM-CQSZACIVSA-N 1 3 302.453 3.912 20 0 DHADHO COc1cc([C@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)c(F)cn1 ZINC000348098255 1032461374 /nfs/dbraw/zinc/46/13/74/1032461374.db2.gz AEJLMHZSGOXFOC-GJZGRUSLSA-N 1 3 323.456 3.535 20 0 DHADHO COc1cc([C@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)c(F)cn1 ZINC000348098255 1032461379 /nfs/dbraw/zinc/46/13/79/1032461379.db2.gz AEJLMHZSGOXFOC-GJZGRUSLSA-N 1 3 323.456 3.535 20 0 DHADHO Cc1ccc2c(c1)[C@H](NCc1ccccc1OCC[NH+](C)C)CC2 ZINC000122369075 1032534597 /nfs/dbraw/zinc/53/45/97/1032534597.db2.gz UABAMWGBDFJSTM-HXUWFJFHSA-N 1 3 324.468 3.713 20 0 DHADHO c1csc([C@@H](Cc2ccncc2)[NH2+]CCCN2CCCC2)c1 ZINC000424249775 1011948901 /nfs/dbraw/zinc/94/89/01/1011948901.db2.gz BAHBLPUOEXLOHX-QGZVFWFLSA-N 1 3 315.486 3.502 20 0 DHADHO CSc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000579711782 1011960317 /nfs/dbraw/zinc/96/03/17/1011960317.db2.gz HCURBVHKMQLRDY-AUUYWEPGSA-N 1 3 316.514 3.860 20 0 DHADHO CSc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000579711782 1011960327 /nfs/dbraw/zinc/96/03/27/1011960327.db2.gz HCURBVHKMQLRDY-AUUYWEPGSA-N 1 3 316.514 3.860 20 0 DHADHO COc1ccc([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000424277761 1011969122 /nfs/dbraw/zinc/96/91/22/1011969122.db2.gz AUSUIDCWWOFGKP-KGLIPLIRSA-N 1 3 310.869 3.731 20 0 DHADHO COc1ccc([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000424277761 1011969131 /nfs/dbraw/zinc/96/91/31/1011969131.db2.gz AUSUIDCWWOFGKP-KGLIPLIRSA-N 1 3 310.869 3.731 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(COc3ccccc3)cc2)C1 ZINC000579731820 1012001014 /nfs/dbraw/zinc/00/10/14/1012001014.db2.gz OMFYHWVHZGHKKX-MOPGFXCFSA-N 1 3 310.441 3.625 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(COc3ccccc3)cc2)C1 ZINC000579731822 1012003296 /nfs/dbraw/zinc/00/32/96/1012003296.db2.gz OMFYHWVHZGHKKX-RBUKOAKNSA-N 1 3 310.441 3.625 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000414907633 1012022296 /nfs/dbraw/zinc/02/22/96/1012022296.db2.gz AUCRYIIHMNRLTF-QWHCGFSZSA-N 1 3 306.759 3.718 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@@H]2CCc3c(F)cccc3C2)CC1(C)C ZINC001171407479 1032600204 /nfs/dbraw/zinc/60/02/04/1032600204.db2.gz INCIYZOICMJZPC-OAHLLOKOSA-N 1 3 318.480 3.924 20 0 DHADHO Cc1ccc([C@H](C)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000122396646 1032603900 /nfs/dbraw/zinc/60/39/00/1032603900.db2.gz KZLLEKXYZGIVOK-KRWDZBQOSA-N 1 3 312.457 3.786 20 0 DHADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280126585 1012225653 /nfs/dbraw/zinc/22/56/53/1012225653.db2.gz CBAYTMIUNPYFSM-DDBAPUKQSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280126585 1012225662 /nfs/dbraw/zinc/22/56/62/1012225662.db2.gz CBAYTMIUNPYFSM-DDBAPUKQSA-N 1 3 304.865 3.802 20 0 DHADHO Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(C)c1 ZINC001167961309 1012774277 /nfs/dbraw/zinc/77/42/77/1012774277.db2.gz HUGBSZZGLMTJRL-SEJPIABJSA-N 1 3 312.501 3.841 20 0 DHADHO Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(C)c1 ZINC001167961309 1012774315 /nfs/dbraw/zinc/77/43/15/1012774315.db2.gz HUGBSZZGLMTJRL-SEJPIABJSA-N 1 3 312.501 3.841 20 0 DHADHO Cc1ccc(-c2cc(C[N@@H+](C)[C@H]3CCN(C)[C@H](C)C3)on2)cc1 ZINC000123763253 1032660922 /nfs/dbraw/zinc/66/09/22/1032660922.db2.gz RCICKZJPNUIYCE-WBVHZDCISA-N 1 3 313.445 3.565 20 0 DHADHO Cc1ccc(-c2cc(C[N@H+](C)[C@H]3CCN(C)[C@H](C)C3)on2)cc1 ZINC000123763253 1032660929 /nfs/dbraw/zinc/66/09/29/1032660929.db2.gz RCICKZJPNUIYCE-WBVHZDCISA-N 1 3 313.445 3.565 20 0 DHADHO [NH3+]C[C@@H]1CC[C@@H](NCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000666962209 1032668906 /nfs/dbraw/zinc/66/89/06/1032668906.db2.gz LLZZBLOJONHTJA-RKDXNWHRSA-N 1 3 307.652 3.864 20 0 DHADHO C[C@@H]([NH2+]CCCCOC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000475312719 1017134348 /nfs/dbraw/zinc/13/43/48/1017134348.db2.gz MQSDPRIMUQMODR-SJORKVTESA-N 1 3 310.526 3.824 20 0 DHADHO COc1ccc(CNC[C@H]2CCCC[N@H+](C)C2)c2ccccc12 ZINC000623656496 1017156116 /nfs/dbraw/zinc/15/61/16/1017156116.db2.gz VJTXZNMHGQYSBY-MRXNPFEDSA-N 1 3 312.457 3.670 20 0 DHADHO COc1ccc(CNC[C@H]2CCCC[N@@H+](C)C2)c2ccccc12 ZINC000623656496 1017156122 /nfs/dbraw/zinc/15/61/22/1017156122.db2.gz VJTXZNMHGQYSBY-MRXNPFEDSA-N 1 3 312.457 3.670 20 0 DHADHO COc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)c2ccccc12 ZINC000623656496 1017156130 /nfs/dbraw/zinc/15/61/30/1017156130.db2.gz VJTXZNMHGQYSBY-MRXNPFEDSA-N 1 3 312.457 3.670 20 0 DHADHO CC[C@H]1COCC[N@@H+]1[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168063271 1017193876 /nfs/dbraw/zinc/19/38/76/1017193876.db2.gz MOUAUPFXSBCAGT-HNJRGHQBSA-N 1 3 316.489 3.539 20 0 DHADHO CC[C@H]1COCC[N@H+]1[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168063271 1017193882 /nfs/dbraw/zinc/19/38/82/1017193882.db2.gz MOUAUPFXSBCAGT-HNJRGHQBSA-N 1 3 316.489 3.539 20 0 DHADHO Cc1ccc2sc(CN3CCC4(C3)CC[NH+](C)CC4)nc2c1 ZINC000639757975 1017443362 /nfs/dbraw/zinc/44/33/62/1017443362.db2.gz QFRKYPANYUJGDM-UHFFFAOYSA-N 1 3 315.486 3.522 20 0 DHADHO CC1(C)CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613731 1017584030 /nfs/dbraw/zinc/58/40/30/1017584030.db2.gz PYXGUUPXUXCHSC-LJQANCHMSA-N 1 3 315.505 3.852 20 0 DHADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120731 1017692471 /nfs/dbraw/zinc/69/24/71/1017692471.db2.gz FTQJGLOAAIROID-DZGCQCFKSA-N 1 3 309.523 3.957 20 0 DHADHO COCCC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(F)cc1 ZINC000624123590 1017695600 /nfs/dbraw/zinc/69/56/00/1017695600.db2.gz ORXJYKVEHDSGFQ-APWZRJJASA-N 1 3 322.468 3.615 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cc(Br)cs1 ZINC000194034576 1018172871 /nfs/dbraw/zinc/17/28/71/1018172871.db2.gz CEIFYWWRWHVZKD-WDEREUQCSA-N 1 3 317.296 3.503 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cc(Br)cs1 ZINC000194034576 1018172884 /nfs/dbraw/zinc/17/28/84/1018172884.db2.gz CEIFYWWRWHVZKD-WDEREUQCSA-N 1 3 317.296 3.503 20 0 DHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCc2ccoc2)CC1 ZINC000658197224 1018252435 /nfs/dbraw/zinc/25/24/35/1018252435.db2.gz GOAMRKSHHKJSNW-KRWDZBQOSA-N 1 3 312.457 3.507 20 0 DHADHO CC(C)C[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccncc1 ZINC000647288129 1018383028 /nfs/dbraw/zinc/38/30/28/1018383028.db2.gz MUBQIILCVXFWGV-IEBWSBKVSA-N 1 3 303.494 3.879 20 0 DHADHO C[C@H](CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccncc1 ZINC000675927522 1018628441 /nfs/dbraw/zinc/62/84/41/1018628441.db2.gz HOJTWMULWZBJHL-QKLQHJQFSA-N 1 3 315.505 3.818 20 0 DHADHO CC[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C1CCOCC1 ZINC000765453106 1018796281 /nfs/dbraw/zinc/79/62/81/1018796281.db2.gz KZVRNTTWKPGMBZ-FQEVSTJZSA-N 1 3 322.537 3.826 20 0 DHADHO CC[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C)cc1 ZINC000132795467 1018843229 /nfs/dbraw/zinc/84/32/29/1018843229.db2.gz WOAVHIZULMGZPI-XLIONFOSSA-N 1 3 316.489 3.537 20 0 DHADHO Cc1cnc(Cl)c(CNCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000921536401 1018951357 /nfs/dbraw/zinc/95/13/57/1018951357.db2.gz PSDXPZICSVVRCJ-CQSZACIVSA-N 1 3 309.885 3.645 20 0 DHADHO Cc1cnc(Cl)c(CNCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000921536401 1018951364 /nfs/dbraw/zinc/95/13/64/1018951364.db2.gz PSDXPZICSVVRCJ-CQSZACIVSA-N 1 3 309.885 3.645 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)CC3 ZINC000666995442 1032807158 /nfs/dbraw/zinc/80/71/58/1032807158.db2.gz NYHZRQSSAKQFGV-CVEARBPZSA-N 1 3 323.484 3.598 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@H]2CCc3ccc(F)cc3C2)CC1(C)C ZINC001171626801 1032809172 /nfs/dbraw/zinc/80/91/72/1032809172.db2.gz BPADFLZDUVOQSL-KRWDZBQOSA-N 1 3 318.480 3.924 20 0 DHADHO CN1C(C)(C)CC([NH2+]CC2(CC3CC3)CCOCC2)CC1(C)C ZINC001171627101 1032810067 /nfs/dbraw/zinc/81/00/67/1032810067.db2.gz JWSHKIUKABGJHS-UHFFFAOYSA-N 1 3 322.537 3.824 20 0 DHADHO Cc1nc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)sc1C(C)(C)C ZINC000923383771 1019159170 /nfs/dbraw/zinc/15/91/70/1019159170.db2.gz MRSPHECEHPBTNM-CYBMUJFWSA-N 1 3 321.534 3.713 20 0 DHADHO CCCCN1CCC([NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657859740 1019339948 /nfs/dbraw/zinc/33/99/48/1019339948.db2.gz UBAPHMSKEPHLSB-CQSZACIVSA-N 1 3 301.434 3.743 20 0 DHADHO CSCc1ccc(C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000922081240 1019414555 /nfs/dbraw/zinc/41/45/55/1019414555.db2.gz KNTQCTBUTIHNTG-UHFFFAOYSA-N 1 3 304.503 3.656 20 0 DHADHO CC(C)[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccnc1 ZINC000091367587 1019461591 /nfs/dbraw/zinc/46/15/91/1019461591.db2.gz ZWRSIYSLKZJGGS-LJQANCHMSA-N 1 3 301.478 3.775 20 0 DHADHO CCCN1C[C@@H]2C[N@H+]([C@H](C)CCc3ccc(C)cc3)C[C@@H]2C1 ZINC001171682443 1032836215 /nfs/dbraw/zinc/83/62/15/1032836215.db2.gz VPTCSQYTOCWIAX-RLLQIKCJSA-N 1 3 300.490 3.590 20 0 DHADHO CCCN1C[C@@H]2C[N@@H+]([C@H](C)CCc3ccc(C)cc3)C[C@@H]2C1 ZINC001171682443 1032836226 /nfs/dbraw/zinc/83/62/26/1032836226.db2.gz VPTCSQYTOCWIAX-RLLQIKCJSA-N 1 3 300.490 3.590 20 0 DHADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000092739413 1019535724 /nfs/dbraw/zinc/53/57/24/1019535724.db2.gz AFXZIBXLQHJUKX-XHSDSOJGSA-N 1 3 307.457 3.629 20 0 DHADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000092739413 1019535732 /nfs/dbraw/zinc/53/57/32/1019535732.db2.gz AFXZIBXLQHJUKX-XHSDSOJGSA-N 1 3 307.457 3.629 20 0 DHADHO c1ccc(SC2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166560643 1019647955 /nfs/dbraw/zinc/64/79/55/1019647955.db2.gz RVDDNQVUVXLEKJ-JKSUJKDBSA-N 1 3 302.487 3.528 20 0 DHADHO c1ccc(SC2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166560643 1019647960 /nfs/dbraw/zinc/64/79/60/1019647960.db2.gz RVDDNQVUVXLEKJ-JKSUJKDBSA-N 1 3 302.487 3.528 20 0 DHADHO C[N@H+](CCCNCc1ccc2cnccc2c1)Cc1ccccc1 ZINC000302058288 1019727233 /nfs/dbraw/zinc/72/72/33/1019727233.db2.gz FGQWTJKCMPMGMB-UHFFFAOYSA-N 1 3 319.452 3.847 20 0 DHADHO C[N@@H+](CCCNCc1ccc2cnccc2c1)Cc1ccccc1 ZINC000302058288 1019727252 /nfs/dbraw/zinc/72/72/52/1019727252.db2.gz FGQWTJKCMPMGMB-UHFFFAOYSA-N 1 3 319.452 3.847 20 0 DHADHO COc1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)C)cc1 ZINC000166031753 1019769581 /nfs/dbraw/zinc/76/95/81/1019769581.db2.gz IKBKNQQZXNBBFG-ZHALLVOQSA-N 1 3 302.462 3.609 20 0 DHADHO COc1ccc([C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C(C)C)cc1 ZINC000166031753 1019769596 /nfs/dbraw/zinc/76/95/96/1019769596.db2.gz IKBKNQQZXNBBFG-ZHALLVOQSA-N 1 3 302.462 3.609 20 0 DHADHO CCCCOc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166199659 1019789757 /nfs/dbraw/zinc/78/97/57/1019789757.db2.gz YMYQQJFEKCIXBR-RTBURBONSA-N 1 3 316.489 3.624 20 0 DHADHO CCCCOc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166199659 1019789772 /nfs/dbraw/zinc/78/97/72/1019789772.db2.gz YMYQQJFEKCIXBR-RTBURBONSA-N 1 3 316.489 3.624 20 0 DHADHO CCN1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000685421362 1019807137 /nfs/dbraw/zinc/80/71/37/1019807137.db2.gz VPQAZQPPUMLNGZ-ZIAGYGMSSA-N 1 3 314.395 3.740 20 0 DHADHO CC(C)[NH2+]CCCN[C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000643508308 1032871580 /nfs/dbraw/zinc/87/15/80/1032871580.db2.gz HKMJWEILMQLMFB-UONOGXRCSA-N 1 3 305.491 3.766 20 0 DHADHO Clc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166459059 1020088782 /nfs/dbraw/zinc/08/87/82/1020088782.db2.gz VJGHHGSVCZMNLO-QZTJIDSGSA-N 1 3 318.892 3.978 20 0 DHADHO Clc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166459059 1020088792 /nfs/dbraw/zinc/08/87/92/1020088792.db2.gz VJGHHGSVCZMNLO-QZTJIDSGSA-N 1 3 318.892 3.978 20 0 DHADHO CC[N@H+](CCCNC1CC(CF)(CF)C1)C1CCCCC1 ZINC000658042243 1020101786 /nfs/dbraw/zinc/10/17/86/1020101786.db2.gz BAXQTJYZWSEHCM-UHFFFAOYSA-N 1 3 302.453 3.709 20 0 DHADHO CC[N@@H+](CCCNC1CC(CF)(CF)C1)C1CCCCC1 ZINC000658042243 1020101796 /nfs/dbraw/zinc/10/17/96/1020101796.db2.gz BAXQTJYZWSEHCM-UHFFFAOYSA-N 1 3 302.453 3.709 20 0 DHADHO COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000765786037 1020195650 /nfs/dbraw/zinc/19/56/50/1020195650.db2.gz ZEPFNEFGRNBYMK-MJGOQNOKSA-N 1 3 318.505 3.726 20 0 DHADHO Cc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000658167899 1020199448 /nfs/dbraw/zinc/19/94/48/1020199448.db2.gz QWXUZQOCLCRILE-MRXNPFEDSA-N 1 3 313.445 3.546 20 0 DHADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCCC1 ZINC000658166386 1020200302 /nfs/dbraw/zinc/20/03/02/1020200302.db2.gz UTLHDZCTDKEERW-HXUWFJFHSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@]2(C)CC2(F)F)CC1 ZINC000658217998 1020245279 /nfs/dbraw/zinc/24/52/79/1020245279.db2.gz IGNRXUGCFYGQKC-VNQPRFMTSA-N 1 3 300.437 3.664 20 0 DHADHO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000658217681 1020247146 /nfs/dbraw/zinc/24/71/46/1020247146.db2.gz HIUMXUKFZYZPGW-USXIJHARSA-N 1 3 308.416 3.532 20 0 DHADHO C[C@H](NCC1CC[NH+](CC2CC2)CC1)c1ccncc1Cl ZINC000658353885 1020320310 /nfs/dbraw/zinc/32/03/10/1020320310.db2.gz SWPFSTFAHBAJKS-ZDUSSCGKSA-N 1 3 307.869 3.508 20 0 DHADHO Cc1nc([C@H](C)NCC2CC[NH+](CC3CC3)CC2)c(C)s1 ZINC000658357611 1020323217 /nfs/dbraw/zinc/32/32/17/1020323217.db2.gz URPHHIVTSSJJSI-LBPRGKRZSA-N 1 3 307.507 3.533 20 0 DHADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1cc2cnccc2o1 ZINC000657974610 1020615644 /nfs/dbraw/zinc/61/56/44/1020615644.db2.gz RAEKWXXUAQQDGG-CQSZACIVSA-N 1 3 301.434 3.600 20 0 DHADHO Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000537881822 1032936930 /nfs/dbraw/zinc/93/69/30/1032936930.db2.gz BCBOMBWBKFCQTB-ICSRJNTNSA-N 1 3 323.484 3.605 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414182392 1020968927 /nfs/dbraw/zinc/96/89/27/1020968927.db2.gz MYZKVJKCCJDRAS-QRUUQIEESA-N 1 3 310.844 3.653 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414182392 1020968933 /nfs/dbraw/zinc/96/89/33/1020968933.db2.gz MYZKVJKCCJDRAS-QRUUQIEESA-N 1 3 310.844 3.653 20 0 DHADHO CSCCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986991 1032971734 /nfs/dbraw/zinc/97/17/34/1032971734.db2.gz OGOJBKBLEACURF-QGZVFWFLSA-N 1 3 306.519 3.724 20 0 DHADHO CSCCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986991 1032971742 /nfs/dbraw/zinc/97/17/42/1032971742.db2.gz OGOJBKBLEACURF-QGZVFWFLSA-N 1 3 306.519 3.724 20 0 DHADHO COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000125792600 1032973387 /nfs/dbraw/zinc/97/33/87/1032973387.db2.gz ZEPFNEFGRNBYMK-PKOBYXMFSA-N 1 3 318.505 3.726 20 0 DHADHO CCN(CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079388 1032982640 /nfs/dbraw/zinc/98/26/40/1032982640.db2.gz OAZBXGQZAMECCE-ACDBMABISA-N 1 3 316.489 3.540 20 0 DHADHO CCN(CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079388 1032982649 /nfs/dbraw/zinc/98/26/49/1032982649.db2.gz OAZBXGQZAMECCE-ACDBMABISA-N 1 3 316.489 3.540 20 0 DHADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCCO2 ZINC000850424297 1021525092 /nfs/dbraw/zinc/52/50/92/1021525092.db2.gz IEVNJZPJPDZTPJ-MRXNPFEDSA-N 1 3 324.468 3.924 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(C(F)(F)F)c1 ZINC000181617828 1021574225 /nfs/dbraw/zinc/57/42/25/1021574225.db2.gz KXUXRCYOKIONHR-WFASDCNBSA-N 1 3 300.368 3.840 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(C(F)(F)F)c1 ZINC000181617864 1021574864 /nfs/dbraw/zinc/57/48/64/1021574864.db2.gz KXUXRCYOKIONHR-SWLSCSKDSA-N 1 3 300.368 3.840 20 0 DHADHO CCOc1ccccc1[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000892779106 1021614632 /nfs/dbraw/zinc/61/46/32/1021614632.db2.gz KQAULRNYLYAOAM-YCXXCVGLSA-N 1 3 302.462 3.751 20 0 DHADHO Fc1ccc(F)c2c1CC[C@@H]2NCCCCC[NH+]1CCCC1 ZINC000556233336 1021620201 /nfs/dbraw/zinc/62/02/01/1021620201.db2.gz PECSZEHMAAYYDE-KRWDZBQOSA-N 1 3 308.416 3.808 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OCC2CC2)[C@H](C)C1 ZINC000093639453 1021640839 /nfs/dbraw/zinc/64/08/39/1021640839.db2.gz IFLCDQNERDOEPQ-VQIMIIECSA-N 1 3 316.489 3.638 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC2CC2)[C@H](C)C1 ZINC000093639453 1021640847 /nfs/dbraw/zinc/64/08/47/1021640847.db2.gz IFLCDQNERDOEPQ-VQIMIIECSA-N 1 3 316.489 3.638 20 0 DHADHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000093942096 1021702117 /nfs/dbraw/zinc/70/21/17/1021702117.db2.gz TZMYHMDADXHRFE-INIZCTEOSA-N 1 3 303.494 3.524 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c1c(F)ccc3F)C2 ZINC001172108670 1033012907 /nfs/dbraw/zinc/01/29/07/1033012907.db2.gz CWUAIRMXKJYCSJ-IPJQOSJUSA-N 1 3 306.400 3.557 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000556872853 1021914167 /nfs/dbraw/zinc/91/41/67/1021914167.db2.gz RWYLFCXKGFEPBO-JKSUJKDBSA-N 1 3 324.459 3.996 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@H]2CCCc3ccc(F)cc32)[C@H]2CCC[C@@H]21 ZINC000556880757 1021923237 /nfs/dbraw/zinc/92/32/37/1021923237.db2.gz SMZZPMUQNJJISF-BVBHFADKSA-N 1 3 302.437 3.666 20 0 DHADHO C[N@H+]1CC[C@H](N[C@H]2CCCc3ccc(F)cc32)[C@H]2CCC[C@@H]21 ZINC000556880757 1021923244 /nfs/dbraw/zinc/92/32/44/1021923244.db2.gz SMZZPMUQNJJISF-BVBHFADKSA-N 1 3 302.437 3.666 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@H]2CCCc3ccc(F)cc32)[C@@H]2CCC[C@@H]21 ZINC000556880759 1021924128 /nfs/dbraw/zinc/92/41/28/1021924128.db2.gz SMZZPMUQNJJISF-WNHJNPCNSA-N 1 3 302.437 3.666 20 0 DHADHO C[N@H+]1CC[C@H](N[C@H]2CCCc3ccc(F)cc32)[C@@H]2CCC[C@@H]21 ZINC000556880759 1021924137 /nfs/dbraw/zinc/92/41/37/1021924137.db2.gz SMZZPMUQNJJISF-WNHJNPCNSA-N 1 3 302.437 3.666 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3ccc(Cl)cc31)C2 ZINC001172113205 1033020429 /nfs/dbraw/zinc/02/04/29/1033020429.db2.gz HLBZNOCPDDEQEP-PNBKFKSVSA-N 1 3 320.864 3.769 20 0 DHADHO C[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001205994363 1022170727 /nfs/dbraw/zinc/17/07/27/1022170727.db2.gz LCTQNNOMGDANTN-YPMHNXCESA-N 1 3 318.358 3.651 20 0 DHADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000853093010 1022218375 /nfs/dbraw/zinc/21/83/75/1022218375.db2.gz ZDLLGTXAWZBUHN-OAGGEKHMSA-N 1 3 318.427 3.819 20 0 DHADHO Cc1c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cccc1C(F)(F)F ZINC001169098106 1022245397 /nfs/dbraw/zinc/24/53/97/1022245397.db2.gz FZNYGGFIQNKLSJ-QDMKHBRRSA-N 1 3 312.379 3.729 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C)Cc1ccc(Br)cc1)C2 ZINC001169141444 1022272591 /nfs/dbraw/zinc/27/25/91/1022272591.db2.gz QLINJXXBRSKHCV-ZSHCYNCHSA-N 1 3 323.278 3.506 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)Cc1ccc(Br)cc1)C2 ZINC001169141444 1022272592 /nfs/dbraw/zinc/27/25/92/1022272592.db2.gz QLINJXXBRSKHCV-ZSHCYNCHSA-N 1 3 323.278 3.506 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCc2nsc3ccccc32)[C@H](C)C1 ZINC000660081533 1022442707 /nfs/dbraw/zinc/44/27/07/1022442707.db2.gz HOMIYHZIDKOPRB-RHSMWYFYSA-N 1 3 317.502 3.501 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCc2nsc3ccccc32)[C@H](C)C1 ZINC000660081533 1022442715 /nfs/dbraw/zinc/44/27/15/1022442715.db2.gz HOMIYHZIDKOPRB-RHSMWYFYSA-N 1 3 317.502 3.501 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)c1ccncc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272260280 1022496611 /nfs/dbraw/zinc/49/66/11/1022496611.db2.gz WZBWXLKWKZTKJM-QKLQHJQFSA-N 1 3 309.457 3.643 20 0 DHADHO COc1ccc([C@H](NCC2=CC[N@H+](C)CC2)c2ccccc2)cc1 ZINC000272682590 1022511590 /nfs/dbraw/zinc/51/15/90/1022511590.db2.gz VTYDDXXREXIJLB-OAQYLSRUSA-N 1 3 322.452 3.636 20 0 DHADHO COc1ccc([C@H](NCC2=CC[N@@H+](C)CC2)c2ccccc2)cc1 ZINC000272682590 1022511603 /nfs/dbraw/zinc/51/16/03/1022511603.db2.gz VTYDDXXREXIJLB-OAQYLSRUSA-N 1 3 322.452 3.636 20 0 DHADHO COCCC[NH+]1CCC(N[C@H](c2ccc(F)cc2)C(C)C)CC1 ZINC001172246551 1033066088 /nfs/dbraw/zinc/06/60/88/1033066088.db2.gz NHSYXYBOSWCGCK-IBGZPJMESA-N 1 3 322.468 3.613 20 0 DHADHO CCCCN1CCC([NH2+][C@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000584684063 1022615560 /nfs/dbraw/zinc/61/55/60/1022615560.db2.gz QUAAMIYYZLWHAP-KRWDZBQOSA-N 1 3 320.452 3.676 20 0 DHADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000173307215 1022691287 /nfs/dbraw/zinc/69/12/87/1022691287.db2.gz BAVZIURIOBJZMZ-CYBMUJFWSA-N 1 3 304.384 3.877 20 0 DHADHO COc1ccccc1-c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414911141 1022910507 /nfs/dbraw/zinc/91/05/07/1022910507.db2.gz DLKZFBSOZWPARW-ZWKOTPCHSA-N 1 3 310.441 3.722 20 0 DHADHO Cc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1Oc1cccnc1 ZINC000414925402 1022921886 /nfs/dbraw/zinc/92/18/86/1022921886.db2.gz LTFGJPAATIAOTG-IRXDYDNUSA-N 1 3 311.429 3.542 20 0 DHADHO CC1(C)C[C@@H](NC[C@H](c2ccccc2)C(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925643498 1022929733 /nfs/dbraw/zinc/92/97/33/1022929733.db2.gz JLAPOHMPMLHYFT-QLFBSQMISA-N 1 3 314.395 3.828 20 0 DHADHO CC[C@H](C)OCC[C@@H](C)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172326842 1033088835 /nfs/dbraw/zinc/08/88/35/1033088835.db2.gz BJXHQQAHAIAOQJ-MSOLQXFVSA-N 1 3 318.505 3.616 20 0 DHADHO C[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1F ZINC000298487492 1023033759 /nfs/dbraw/zinc/03/37/59/1023033759.db2.gz PSJFBJFJTONPPN-CYBMUJFWSA-N 1 3 317.383 3.679 20 0 DHADHO CC(C)c1ccccc1OCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000089597391 1023089849 /nfs/dbraw/zinc/08/98/49/1023089849.db2.gz PVRFYHQWVCZVRK-SOLBZPMBSA-N 1 3 304.478 3.507 20 0 DHADHO CC(C)c1ccccc1OCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000089597391 1023089855 /nfs/dbraw/zinc/08/98/55/1023089855.db2.gz PVRFYHQWVCZVRK-SOLBZPMBSA-N 1 3 304.478 3.507 20 0 DHADHO CC(C)CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000538569671 1033107508 /nfs/dbraw/zinc/10/75/08/1033107508.db2.gz RXNSZAUYSDJMBX-ZIFCJYIRSA-N 1 3 318.505 3.930 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000193980439 1023145244 /nfs/dbraw/zinc/14/52/44/1023145244.db2.gz GYKLXTKKLSPNPL-QWRGUYRKSA-N 1 3 317.296 3.503 20 0 DHADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000660415425 1023148958 /nfs/dbraw/zinc/14/89/58/1023148958.db2.gz COZSHGUEECZFER-MISYRCLQSA-N 1 3 300.490 3.986 20 0 DHADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000660415425 1023148965 /nfs/dbraw/zinc/14/89/65/1023148965.db2.gz COZSHGUEECZFER-MISYRCLQSA-N 1 3 300.490 3.986 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCCCC[NH+]1CCCCC1 ZINC000769869439 1023224628 /nfs/dbraw/zinc/22/46/28/1023224628.db2.gz ACADVCMIUFMTAZ-HNNXBMFYSA-N 1 3 307.482 3.852 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000769876537 1023239699 /nfs/dbraw/zinc/23/96/99/1023239699.db2.gz SVEVHYZAJHCCJR-XHSDSOJGSA-N 1 3 321.509 3.954 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000769876537 1023239710 /nfs/dbraw/zinc/23/97/10/1023239710.db2.gz SVEVHYZAJHCCJR-XHSDSOJGSA-N 1 3 321.509 3.954 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NCCCC[NH+]1CCC(C)CC1 ZINC000769874883 1023239746 /nfs/dbraw/zinc/23/97/46/1023239746.db2.gz MEEHMHADDLMJAR-OAHLLOKOSA-N 1 3 307.482 3.708 20 0 DHADHO CC[C@H](C)OCC[C@H](C)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001172340436 1033123037 /nfs/dbraw/zinc/12/30/37/1033123037.db2.gz KAQPQBLGBMMVSO-FHWLQOOXSA-N 1 3 310.526 3.921 20 0 DHADHO CC[C@H](C)OCC[C@H](C)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001172340436 1033123044 /nfs/dbraw/zinc/12/30/44/1033123044.db2.gz KAQPQBLGBMMVSO-FHWLQOOXSA-N 1 3 310.526 3.921 20 0 DHADHO CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC(N)(c2ccccc2F)CC1 ZINC001172341440 1033125572 /nfs/dbraw/zinc/12/55/72/1033125572.db2.gz ZXJZUKAOWBTMLM-HZPDHXFCSA-N 1 3 322.468 3.669 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cnc3c(F)cccc3c2)C[C@@H]1C ZINC000876757769 1033133983 /nfs/dbraw/zinc/13/39/83/1033133983.db2.gz FUAPYYZSTIBILF-YOEHRIQHSA-N 1 3 315.436 3.679 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc3c(F)cccc3c2)C[C@@H]1C ZINC000876757769 1033133992 /nfs/dbraw/zinc/13/39/92/1033133992.db2.gz FUAPYYZSTIBILF-YOEHRIQHSA-N 1 3 315.436 3.679 20 0 DHADHO C[C@@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925731503 1023780375 /nfs/dbraw/zinc/78/03/75/1023780375.db2.gz SXHGGXMRUSEILX-RAIGVLPGSA-N 1 3 315.383 3.657 20 0 DHADHO C[C@H]1C[C@H]1c1ccc(CN2CCC(CCC[NH+](C)C)CC2)o1 ZINC000538752477 1033171251 /nfs/dbraw/zinc/17/12/51/1033171251.db2.gz OERGOVZMCKVQKQ-MAUKXSAKSA-N 1 3 304.478 3.957 20 0 DHADHO Cc1cncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000249041511 1023917251 /nfs/dbraw/zinc/91/72/51/1023917251.db2.gz UVPMGORQZGMBOI-MZADTFQBSA-N 1 3 321.468 3.675 20 0 DHADHO CC[C@@H](CC(C)C)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001172395240 1033178355 /nfs/dbraw/zinc/17/83/55/1033178355.db2.gz JUVIPYPPBJBPCQ-GJZGRUSLSA-N 1 3 313.283 3.863 20 0 DHADHO CC[C@@H](CC(C)C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001172394431 1033178397 /nfs/dbraw/zinc/17/83/97/1033178397.db2.gz UCKKCVVUGLGFFC-IBGZPJMESA-N 1 3 303.494 3.708 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(Cc3csc4ccccc34)CC[C@@H]21 ZINC000538796561 1033179813 /nfs/dbraw/zinc/17/98/13/1033179813.db2.gz LGRYYXYUMPHBKW-YOEHRIQHSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(Cc3csc4ccccc34)CC[C@@H]21 ZINC000538796561 1033179814 /nfs/dbraw/zinc/17/98/14/1033179814.db2.gz LGRYYXYUMPHBKW-YOEHRIQHSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CCC[C@H]2C[N@H+](Cc3csc4ccccc34)CC[C@@H]21 ZINC000538796561 1033179819 /nfs/dbraw/zinc/17/98/19/1033179819.db2.gz LGRYYXYUMPHBKW-YOEHRIQHSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](Cc3csc4ccccc34)CC[C@@H]21 ZINC000538796561 1033179823 /nfs/dbraw/zinc/17/98/23/1033179823.db2.gz LGRYYXYUMPHBKW-YOEHRIQHSA-N 1 3 300.471 3.817 20 0 DHADHO CC[C@@H](CC(C)C)[NH+]1CCC(N)(Cc2cccc(F)c2)CC1 ZINC001172398494 1033184280 /nfs/dbraw/zinc/18/42/80/1033184280.db2.gz GUPVIJJLAFMBIB-SFHVURJKSA-N 1 3 306.469 3.986 20 0 DHADHO COc1cccc2c1CC[C@@H]2NCc1cccc(C[NH+](C)C)c1 ZINC000268777708 1024157505 /nfs/dbraw/zinc/15/75/05/1024157505.db2.gz WHLRPLCGTUPONA-IBGZPJMESA-N 1 3 310.441 3.534 20 0 DHADHO COc1cc(C)c([C@@H](C)[NH2+]CCCN2CCCCC2)cc1OC ZINC000162418306 1024171195 /nfs/dbraw/zinc/17/11/95/1024171195.db2.gz OQCHVDFDOZRCRF-MRXNPFEDSA-N 1 3 320.477 3.539 20 0 DHADHO Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663343817 1024172451 /nfs/dbraw/zinc/17/24/51/1024172451.db2.gz FSXMPTMLJMBDBR-PKOBYXMFSA-N 1 3 300.490 3.638 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](CO)CCC(C)(C)C)CC1 ZINC000475680671 1024234218 /nfs/dbraw/zinc/23/42/18/1024234218.db2.gz QRNCWPJSKVYVFU-QRQLOZEOSA-N 1 3 324.553 3.806 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000531714618 1024280660 /nfs/dbraw/zinc/28/06/60/1024280660.db2.gz BQEDPQUAOIQMLM-IRXDYDNUSA-N 1 3 309.457 3.741 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000531714618 1024280669 /nfs/dbraw/zinc/28/06/69/1024280669.db2.gz BQEDPQUAOIQMLM-IRXDYDNUSA-N 1 3 309.457 3.741 20 0 DHADHO Cc1ccccc1C1CC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000663466652 1024409020 /nfs/dbraw/zinc/40/90/20/1024409020.db2.gz XAIXSUPNIXYASI-HDYDNRTBSA-N 1 3 312.501 3.953 20 0 DHADHO Cc1ccc(C2CC([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663466568 1024410765 /nfs/dbraw/zinc/41/07/65/1024410765.db2.gz VPXUQNFTNFJEDE-KMFTYDHNSA-N 1 3 312.501 3.953 20 0 DHADHO Fc1ccccc1C1CC([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000663466531 1024412570 /nfs/dbraw/zinc/41/25/70/1024412570.db2.gz VCWIGNVLLRXCMQ-WWDZGPRUSA-N 1 3 316.464 3.783 20 0 DHADHO c1ccc([C@H]2CCC[C@@H](C[N@@H+]3CCNCCC34CCC4)O2)cc1 ZINC000883460234 1024438106 /nfs/dbraw/zinc/43/81/06/1024438106.db2.gz SCDJDHITLLDYHD-RBUKOAKNSA-N 1 3 314.473 3.515 20 0 DHADHO c1ccc([C@H]2CCC[C@@H](C[N@H+]3CCNCCC34CCC4)O2)cc1 ZINC000883460234 1024438115 /nfs/dbraw/zinc/43/81/15/1024438115.db2.gz SCDJDHITLLDYHD-RBUKOAKNSA-N 1 3 314.473 3.515 20 0 DHADHO c1c2ccccc2oc1[C@H](NCC1CC[NH2+]CC1)c1cccnc1 ZINC000643497695 1024498897 /nfs/dbraw/zinc/49/88/97/1024498897.db2.gz VRPLMAGZELBBDO-HXUWFJFHSA-N 1 3 321.424 3.506 20 0 DHADHO C[C@@H]1C[C@H](NCCc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000271544604 1024536119 /nfs/dbraw/zinc/53/61/19/1024536119.db2.gz UVBVSQTYDVFPOA-DGCLKSJQSA-N 1 3 323.893 3.565 20 0 DHADHO C[C@@H]1C[C@H](NCCc2nc3cc(Cl)ccc3s2)CC[N@H+]1C ZINC000271544604 1024536132 /nfs/dbraw/zinc/53/61/32/1024536132.db2.gz UVBVSQTYDVFPOA-DGCLKSJQSA-N 1 3 323.893 3.565 20 0 DHADHO CCC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccsc1 ZINC000432419198 1024666342 /nfs/dbraw/zinc/66/63/42/1024666342.db2.gz ZVIVDRAMAWHXBG-WBVHZDCISA-N 1 3 310.507 3.680 20 0 DHADHO CCC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccsc1 ZINC000432419198 1024666345 /nfs/dbraw/zinc/66/63/45/1024666345.db2.gz ZVIVDRAMAWHXBG-WBVHZDCISA-N 1 3 310.507 3.680 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666239421 1024824492 /nfs/dbraw/zinc/82/44/92/1024824492.db2.gz JPUMKSUTWUQASM-GOEBONIOSA-N 1 3 306.881 3.517 20 0 DHADHO C[C@H]1CN(CCCC[NH2+][C@@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000162874149 1024917494 /nfs/dbraw/zinc/91/74/94/1024917494.db2.gz YVTLTIOYPQUOKT-ABSDTBQOSA-N 1 3 316.489 3.543 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000021814631 1025103410 /nfs/dbraw/zinc/10/34/10/1025103410.db2.gz CWPRQLIMLQGRMX-CYBMUJFWSA-N 1 3 300.368 3.842 20 0 DHADHO Cc1ccncc1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000353659370 1025183668 /nfs/dbraw/zinc/18/36/68/1025183668.db2.gz RELSAGFUQDUNQC-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1ccncc1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000353659370 1025183682 /nfs/dbraw/zinc/18/36/82/1025183682.db2.gz RELSAGFUQDUNQC-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC(F)(F)F ZINC000282569021 1025292479 /nfs/dbraw/zinc/29/24/79/1025292479.db2.gz UZIMFEMMHKFETN-OAHLLOKOSA-N 1 3 314.395 3.829 20 0 DHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCCC(F)(F)F ZINC000282569021 1025292467 /nfs/dbraw/zinc/29/24/67/1025292467.db2.gz UZIMFEMMHKFETN-OAHLLOKOSA-N 1 3 314.395 3.829 20 0 DHADHO CCCC(O)(CCC)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000152029220 1025297078 /nfs/dbraw/zinc/29/70/78/1025297078.db2.gz WWBRBVOUDPODBE-UHFFFAOYSA-N 1 3 310.526 3.704 20 0 DHADHO CCCC(O)(CCC)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000152029220 1025297091 /nfs/dbraw/zinc/29/70/91/1025297091.db2.gz WWBRBVOUDPODBE-UHFFFAOYSA-N 1 3 310.526 3.704 20 0 DHADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccs1 ZINC000171126779 1025300217 /nfs/dbraw/zinc/30/02/17/1025300217.db2.gz RYFSHKKEJBPQTQ-OAHLLOKOSA-N 1 3 318.486 3.929 20 0 DHADHO CC(C)Oc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000124375204 1025332265 /nfs/dbraw/zinc/33/22/65/1025332265.db2.gz CBGDPICOJFMCQQ-CVEARBPZSA-N 1 3 302.462 3.609 20 0 DHADHO CC(C)Oc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000124375204 1025332274 /nfs/dbraw/zinc/33/22/74/1025332274.db2.gz CBGDPICOJFMCQQ-CVEARBPZSA-N 1 3 302.462 3.609 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885903576 1025401673 /nfs/dbraw/zinc/40/16/73/1025401673.db2.gz RPMQVABEZDFPOH-SFHVURJKSA-N 1 3 308.510 3.580 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885903575 1025401940 /nfs/dbraw/zinc/40/19/40/1025401940.db2.gz RPMQVABEZDFPOH-GOSISDBHSA-N 1 3 308.510 3.580 20 0 DHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc(Cl)cn2)C1 ZINC000885924821 1025406015 /nfs/dbraw/zinc/40/60/15/1025406015.db2.gz VJUAXCYYZQLDFV-HUUCEWRRSA-N 1 3 309.885 3.583 20 0 DHADHO CC[C@@H](OCC[N@@H+]1CCC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000660663081 1025432746 /nfs/dbraw/zinc/43/27/46/1025432746.db2.gz NAKGCVRZEVTKJQ-WOJBJXKFSA-N 1 3 316.489 3.572 20 0 DHADHO CC[C@@H](OCC[N@H+]1CCC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000660663081 1025432755 /nfs/dbraw/zinc/43/27/55/1025432755.db2.gz NAKGCVRZEVTKJQ-WOJBJXKFSA-N 1 3 316.489 3.572 20 0 DHADHO C[C@H]([NH2+]CC1(C(F)F)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000348365994 1025521999 /nfs/dbraw/zinc/52/19/99/1025521999.db2.gz DVPBKLRCKOQDJH-GOEBONIOSA-N 1 3 308.416 3.532 20 0 DHADHO CN(C)CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000539163120 1033289096 /nfs/dbraw/zinc/28/90/96/1033289096.db2.gz CEGZTTXPYNSTFL-OAHLLOKOSA-N 1 3 301.261 3.986 20 0 DHADHO CC(C)[C@@H](NCCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000539163263 1033289581 /nfs/dbraw/zinc/28/95/81/1033289581.db2.gz QNNIMKOGGLCAJT-OAHLLOKOSA-N 1 3 302.384 3.944 20 0 DHADHO C[NH+]1CCC(CN(CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000893996552 1025639287 /nfs/dbraw/zinc/63/92/87/1025639287.db2.gz HLMWFLPLVKIHEE-UHFFFAOYSA-N 1 3 314.395 3.783 20 0 DHADHO C[N@@H+]1CCCC[C@@H]1CCN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886612556 1025736563 /nfs/dbraw/zinc/73/65/63/1025736563.db2.gz OMOGPLJSRJUYBR-ZNMIVQPWSA-N 1 3 304.400 3.525 20 0 DHADHO C[N@H+]1CCCC[C@@H]1CCN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886612556 1025736576 /nfs/dbraw/zinc/73/65/76/1025736576.db2.gz OMOGPLJSRJUYBR-ZNMIVQPWSA-N 1 3 304.400 3.525 20 0 DHADHO Cc1ccc(CNC2CCC(C)([NH+]3CCCC3)CC2)c(Cl)n1 ZINC000886651456 1025763440 /nfs/dbraw/zinc/76/34/40/1025763440.db2.gz GGTWVRJAMOBBIC-UHFFFAOYSA-N 1 3 321.896 3.930 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000513656948 1026553335 /nfs/dbraw/zinc/55/33/35/1026553335.db2.gz ZLRAVIXZNLMYGE-JYJNAYRXSA-N 1 3 312.379 3.668 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000513656948 1026553338 /nfs/dbraw/zinc/55/33/38/1026553338.db2.gz ZLRAVIXZNLMYGE-JYJNAYRXSA-N 1 3 312.379 3.668 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000513656948 1026553344 /nfs/dbraw/zinc/55/33/44/1026553344.db2.gz ZLRAVIXZNLMYGE-JYJNAYRXSA-N 1 3 312.379 3.668 20 0 DHADHO CN1CC[C@H]([NH2+]CCOc2cccc3ccccc32)[C@H]2CCC[C@H]21 ZINC000513667004 1026555234 /nfs/dbraw/zinc/55/52/34/1026555234.db2.gz PBOKMEKKEKJUKM-HSALFYBXSA-N 1 3 324.468 3.681 20 0 DHADHO C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330159 1026806137 /nfs/dbraw/zinc/80/61/37/1026806137.db2.gz PNJOPBFCKSOFHJ-SNPRPXQTSA-N 1 3 310.844 3.862 20 0 DHADHO C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC[C@H]1CC[NH2+]C1 ZINC000420326759 1026807290 /nfs/dbraw/zinc/80/72/90/1026807290.db2.gz XPHBDTCEFIEGIB-NWDGAFQWSA-N 1 3 301.261 3.986 20 0 DHADHO COc1ccc([C@@H](CN)C[NH2+][C@@H](c2ccccc2)C(C)C)cc1 ZINC000420377521 1026808933 /nfs/dbraw/zinc/80/89/33/1026808933.db2.gz SFEXIMUWDCKUGR-AZUAARDMSA-N 1 3 312.457 3.724 20 0 DHADHO CC1(C)CNCC[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000420372567 1026809105 /nfs/dbraw/zinc/80/91/05/1026809105.db2.gz YHFGOMIILLCOCI-IBGZPJMESA-N 1 3 312.457 3.586 20 0 DHADHO C[C@H](c1ccccc1Cl)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420382476 1026812261 /nfs/dbraw/zinc/81/22/61/1026812261.db2.gz PUNWHQVEXRWUIL-XWIAVFTESA-N 1 3 322.880 3.619 20 0 DHADHO Cc1cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000420385007 1026812473 /nfs/dbraw/zinc/81/24/73/1026812473.db2.gz FAPSOJKYHAVUAT-UZLBHIALSA-N 1 3 309.457 3.507 20 0 DHADHO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc(C)n1 ZINC000421380162 1026971543 /nfs/dbraw/zinc/97/15/43/1026971543.db2.gz LVCQQCYJHOWZMG-RXVVDRJESA-N 1 3 323.484 3.699 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421823968 1027056853 /nfs/dbraw/zinc/05/68/53/1027056853.db2.gz GEZLQRBYQWIEKL-KGLIPLIRSA-N 1 3 312.860 3.732 20 0 DHADHO NCCC[N@H+](C1CCCCC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659464 1027171887 /nfs/dbraw/zinc/17/18/87/1027171887.db2.gz PQTFEGBJWQWCJH-KRWDZBQOSA-N 1 3 322.443 3.806 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659464 1027171890 /nfs/dbraw/zinc/17/18/90/1027171890.db2.gz PQTFEGBJWQWCJH-KRWDZBQOSA-N 1 3 322.443 3.806 20 0 DHADHO CCCC[N@H+](C)CCCN[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659745 1027174796 /nfs/dbraw/zinc/17/47/96/1027174796.db2.gz RKCLWEYLJWAHKJ-MRXNPFEDSA-N 1 3 310.432 3.534 20 0 DHADHO CCCC[N@@H+](C)CCCN[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659745 1027174806 /nfs/dbraw/zinc/17/48/06/1027174806.db2.gz RKCLWEYLJWAHKJ-MRXNPFEDSA-N 1 3 310.432 3.534 20 0 DHADHO CCCCN(C)CCC[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659745 1027174811 /nfs/dbraw/zinc/17/48/11/1027174811.db2.gz RKCLWEYLJWAHKJ-MRXNPFEDSA-N 1 3 310.432 3.534 20 0 DHADHO Cc1nc2c(o1)CCC[C@H]2NCCCCCCC[NH+]1CCCC1 ZINC000924953824 1027276761 /nfs/dbraw/zinc/27/67/61/1027276761.db2.gz CALJIBSESGVWEV-QGZVFWFLSA-N 1 3 319.493 3.996 20 0 DHADHO C(COC1CCCCCC1)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422762016 1027306082 /nfs/dbraw/zinc/30/60/82/1027306082.db2.gz NIRYZAMFDVHYLR-GUDVDZBRSA-N 1 3 308.510 3.626 20 0 DHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1nc(C(C)(C)C)cs1 ZINC000422743548 1027309360 /nfs/dbraw/zinc/30/93/60/1027309360.db2.gz RRHSFZUVDGKZBH-LSDHHAIUSA-N 1 3 323.550 3.884 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422770039 1027312685 /nfs/dbraw/zinc/31/26/85/1027312685.db2.gz WFICRLJEUDJGCB-ZDUSSCGKSA-N 1 3 315.436 3.616 20 0 DHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCSc1ccccc1 ZINC000422768224 1027315157 /nfs/dbraw/zinc/31/51/57/1027315157.db2.gz ZHVQXKDSJKKSIC-QFBILLFUSA-N 1 3 314.498 3.717 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000422778232 1027319551 /nfs/dbraw/zinc/31/95/51/1027319551.db2.gz GXHVCUWNJJFFNA-CQSZACIVSA-N 1 3 311.473 3.997 20 0 DHADHO Cc1cccc2c(CCN[C@@H]3C[C@H]([NH3+])c4ccccc43)c[nH]c21 ZINC000422783054 1027319599 /nfs/dbraw/zinc/31/95/99/1027319599.db2.gz MOYTYYQVSMQEPQ-RBUKOAKNSA-N 1 3 305.425 3.753 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000422798698 1027326044 /nfs/dbraw/zinc/32/60/44/1027326044.db2.gz SLEJNHBPYUONJQ-NEPJUHHUSA-N 1 3 319.399 3.581 20 0 DHADHO CC[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)Oc1ccccc1F ZINC000422816840 1027337253 /nfs/dbraw/zinc/33/72/53/1027337253.db2.gz GBNOTRXSZUXSJJ-FSPWUOQZSA-N 1 3 314.404 3.718 20 0 DHADHO CC[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)Oc1ccccc1F ZINC000422816839 1027338458 /nfs/dbraw/zinc/33/84/58/1027338458.db2.gz GBNOTRXSZUXSJJ-BVGQSLNGSA-N 1 3 314.404 3.718 20 0 DHADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1Cl ZINC000422876979 1027346818 /nfs/dbraw/zinc/34/68/18/1027346818.db2.gz HCCMSFXVXJPJIJ-FKJOKYEKSA-N 1 3 313.272 3.970 20 0 DHADHO [NH3+][C@H]1C[C@H](NCCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000422885215 1027350023 /nfs/dbraw/zinc/35/00/23/1027350023.db2.gz GKUKEVDDBKAQKB-ICSRJNTNSA-N 1 3 305.425 3.835 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000422885214 1027352054 /nfs/dbraw/zinc/35/20/54/1027352054.db2.gz GKUKEVDDBKAQKB-AZUAARDMSA-N 1 3 305.425 3.835 20 0 DHADHO CC(C)c1nc(CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)cs1 ZINC000422900696 1027355063 /nfs/dbraw/zinc/35/50/63/1027355063.db2.gz JWMRWGYTQQYAAH-JKSUJKDBSA-N 1 3 301.459 3.543 20 0 DHADHO COc1ccccc1SC[C@H](C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422943388 1027370022 /nfs/dbraw/zinc/37/00/22/1027370022.db2.gz KFDSVMQXAUDSBZ-PMPSAXMXSA-N 1 3 322.518 3.544 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000422946432 1027376982 /nfs/dbraw/zinc/37/69/82/1027376982.db2.gz WSVZTBLZBPVSHM-UWJYYQICSA-N 1 3 324.468 3.743 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422951059 1027378391 /nfs/dbraw/zinc/37/83/91/1027378391.db2.gz XGUYMHIEBLNCNM-KFWWJZLASA-N 1 3 308.466 3.651 20 0 DHADHO COc1cccc(C(C)(C)CN[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423006497 1027390159 /nfs/dbraw/zinc/39/01/59/1027390159.db2.gz VMUQPJRBQIZLNO-RBUKOAKNSA-N 1 3 310.441 3.707 20 0 DHADHO CCOc1ccc(Cl)cc1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423008612 1027390285 /nfs/dbraw/zinc/39/02/85/1027390285.db2.gz ARELBFXBFWVDOI-HOTGVXAUSA-N 1 3 310.869 3.531 20 0 DHADHO COc1ccc(C2(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)CCC2)cc1 ZINC000423033853 1027396288 /nfs/dbraw/zinc/39/62/88/1027396288.db2.gz OYALGURPEHVHIY-VQTJNVASSA-N 1 3 322.452 3.851 20 0 DHADHO c1cncc(-c2cccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)c1 ZINC000423044860 1027400702 /nfs/dbraw/zinc/40/07/02/1027400702.db2.gz BXVJFESAPKGNGX-PWRODBHTSA-N 1 3 321.468 3.759 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423095556 1027414969 /nfs/dbraw/zinc/41/49/69/1027414969.db2.gz FKPZFLMZYXTXOC-LFSVMHDDSA-N 1 3 301.261 3.955 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CSc2ccccc21 ZINC000423149187 1027431376 /nfs/dbraw/zinc/43/13/76/1027431376.db2.gz XKZFXAUQBAXSKC-PMPSAXMXSA-N 1 3 304.503 3.776 20 0 DHADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1cccc(Cl)c1 ZINC000423183974 1027438085 /nfs/dbraw/zinc/43/80/85/1027438085.db2.gz HCHSJGPENZXNDW-CQSZACIVSA-N 1 3 303.837 3.566 20 0 DHADHO Cc1cc([C@H](C)NCCC[NH2+]Cc2cccnc2)c(C)s1 ZINC000423185115 1027438669 /nfs/dbraw/zinc/43/86/69/1027438669.db2.gz JDYAMFVNOCPNTB-AWEZNQCLSA-N 1 3 303.475 3.590 20 0 DHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NCC[C@H](C)[NH3+] ZINC000423222489 1027461507 /nfs/dbraw/zinc/46/15/07/1027461507.db2.gz BGRUBAQBVIBCTF-STQMWFEESA-N 1 3 303.475 3.815 20 0 DHADHO Cc1c([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cnn1C(C)(C)C ZINC000423291920 1027486839 /nfs/dbraw/zinc/48/68/39/1027486839.db2.gz KOMXEMSRORBBNI-KBPBESRZSA-N 1 3 314.477 3.817 20 0 DHADHO C[C@H]([NH2+][C@@H](CN)C1CC1)c1cc2cc(Br)ccc2o1 ZINC000423273489 1027489415 /nfs/dbraw/zinc/48/94/15/1027489415.db2.gz JAMPFLIWDQREPJ-ZANVPECISA-N 1 3 323.234 3.583 20 0 DHADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423280699 1027494191 /nfs/dbraw/zinc/49/41/91/1027494191.db2.gz UITUEXKOARVMIN-KXBFYZLASA-N 1 3 312.457 3.996 20 0 DHADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000423310713 1027496294 /nfs/dbraw/zinc/49/62/94/1027496294.db2.gz AVJWDMHXSPONBY-IINYFYTJSA-N 1 3 318.408 3.729 20 0 DHADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1cccc(OCc2ccccc2)c1 ZINC000423332375 1027509105 /nfs/dbraw/zinc/50/91/05/1027509105.db2.gz VBROZJVRIIIZBS-QRWLVFNGSA-N 1 3 310.441 3.654 20 0 DHADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(OCc2ccccc2)c1 ZINC000423332373 1027510621 /nfs/dbraw/zinc/51/06/21/1027510621.db2.gz VBROZJVRIIIZBS-FOIQADDNSA-N 1 3 310.441 3.654 20 0 DHADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(OCc2ccccc2)cc1 ZINC000423334536 1027513079 /nfs/dbraw/zinc/51/30/79/1027513079.db2.gz WQRZBXKEZUBFFK-MGPUTAFESA-N 1 3 310.441 3.654 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@@]1(C)CCC[NH2+]C1 ZINC000423349119 1027517927 /nfs/dbraw/zinc/51/79/27/1027517927.db2.gz VEAJFJCZQCMWFZ-ICSRJNTNSA-N 1 3 311.473 3.833 20 0 DHADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CCN1 ZINC000423382856 1027526821 /nfs/dbraw/zinc/52/68/21/1027526821.db2.gz OSZCVBNHOIJISC-UWIFEVILSA-N 1 3 306.881 3.781 20 0 DHADHO CC(C)[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423384680 1027528035 /nfs/dbraw/zinc/52/80/35/1027528035.db2.gz GGHDSJCYAULUDI-MAZHCROVSA-N 1 3 314.395 3.990 20 0 DHADHO Cc1cc(OCCC[C@H](C)[NH2+][C@H]2CCNC[C@H]2C)ccc1Cl ZINC000423389318 1027530110 /nfs/dbraw/zinc/53/01/10/1027530110.db2.gz JHZJXUZPIGBKDU-VKJFTORMSA-N 1 3 324.896 3.784 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423391807 1027530203 /nfs/dbraw/zinc/53/02/03/1027530203.db2.gz LBKXXJAEHVDJAN-KCMWZYNZSA-N 1 3 306.881 3.954 20 0 DHADHO C[C@@H](NCCC[NH2+]C1CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423518996 1027576403 /nfs/dbraw/zinc/57/64/03/1027576403.db2.gz CXHNALMXNKNPJB-QWHCGFSZSA-N 1 3 303.475 3.520 20 0 DHADHO C[C@H](NCCC1=CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000423539735 1027583409 /nfs/dbraw/zinc/58/34/09/1027583409.db2.gz PFABIORGBPOVOQ-AWEZNQCLSA-N 1 3 313.470 3.771 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NC/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000576755028 1027655527 /nfs/dbraw/zinc/65/55/27/1027655527.db2.gz BOCOMWKMOJAYAB-KELXMEGNSA-N 1 3 324.468 3.994 20 0 DHADHO CSc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1F ZINC000577634601 1027856696 /nfs/dbraw/zinc/85/66/96/1027856696.db2.gz XFBXJUZNOMWJIZ-LBPRGKRZSA-N 1 3 304.434 3.857 20 0 DHADHO CC(C)(C)[NH+]1CCC(N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)CC1 ZINC000527948710 1027982112 /nfs/dbraw/zinc/98/21/12/1027982112.db2.gz WZCVPQNQCUGJBJ-FGTMMUONSA-N 1 3 318.892 3.831 20 0 DHADHO C[C@H]([NH2+]CC1Cc2ccccc2C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000578109294 1028053394 /nfs/dbraw/zinc/05/33/94/1028053394.db2.gz DSBWKDFISCUPMP-OXJNMPFZSA-N 1 3 312.501 3.644 20 0 DHADHO Cc1cnc([C@H]2CCC[N@@H+](CC[C@H]3CCCCN3C)C2)s1 ZINC000366179592 1028057470 /nfs/dbraw/zinc/05/74/70/1028057470.db2.gz QLYSRUBXZCOTCA-JKSUJKDBSA-N 1 3 307.507 3.505 20 0 DHADHO Cc1cnc([C@H]2CCC[N@H+](CC[C@H]3CCCCN3C)C2)s1 ZINC000366179592 1028057488 /nfs/dbraw/zinc/05/74/88/1028057488.db2.gz QLYSRUBXZCOTCA-JKSUJKDBSA-N 1 3 307.507 3.505 20 0 DHADHO CN1CCCC[C@H]1CC[N@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000367781717 1028237679 /nfs/dbraw/zinc/23/76/79/1028237679.db2.gz CIJPNUQDYBRIAG-KRWDZBQOSA-N 1 3 324.472 3.526 20 0 DHADHO CN1CCCC[C@H]1CC[N@@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000367781717 1028237694 /nfs/dbraw/zinc/23/76/94/1028237694.db2.gz CIJPNUQDYBRIAG-KRWDZBQOSA-N 1 3 324.472 3.526 20 0 DHADHO COc1ccc(-c2csc(CN[C@@H]3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000578882732 1028263588 /nfs/dbraw/zinc/26/35/88/1028263588.db2.gz PLUWXFURTXKPRW-HZPDHXFCSA-N 1 3 316.470 3.783 20 0 DHADHO CCC(CC)[C@H](CNCCCc1cnccc1C)[NH+]1CCCC1 ZINC000578975021 1028290276 /nfs/dbraw/zinc/29/02/76/1028290276.db2.gz IGQZLUBBVZMAJM-FQEVSTJZSA-N 1 3 317.521 3.813 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC000449092722 1028365543 /nfs/dbraw/zinc/36/55/43/1028365543.db2.gz MYXJUYBHDAGQHX-JKSUJKDBSA-N 1 3 300.446 3.685 20 0 DHADHO CC[C@@H](C)[C@H](O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449139994 1028393831 /nfs/dbraw/zinc/39/38/31/1028393831.db2.gz BPFJVUWCNSERGG-NVXWUHKLSA-N 1 3 312.542 3.662 20 0 DHADHO COc1cc2ccccc2cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000449179617 1028432165 /nfs/dbraw/zinc/43/21/65/1028432165.db2.gz WTFRROLGUXQLGP-IHWFROFDSA-N 1 3 324.468 3.953 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000449214315 1028447874 /nfs/dbraw/zinc/44/78/74/1028447874.db2.gz YECJZXXQCDWHDE-MSOLQXFVSA-N 1 3 322.537 3.823 20 0 DHADHO CCN(Cc1cc2cccnc2o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000449326423 1028534469 /nfs/dbraw/zinc/53/44/69/1028534469.db2.gz VQYILMMJGJUEBY-UHFFFAOYSA-N 1 3 323.440 3.912 20 0 DHADHO COc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc2ccccc21 ZINC000449330223 1028542572 /nfs/dbraw/zinc/54/25/72/1028542572.db2.gz KMWDJGPBFDBNGA-BEFAXECRSA-N 1 3 312.457 3.620 20 0 DHADHO COc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc2ccccc21 ZINC000449330223 1028542577 /nfs/dbraw/zinc/54/25/77/1028542577.db2.gz KMWDJGPBFDBNGA-BEFAXECRSA-N 1 3 312.457 3.620 20 0 DHADHO CC(F)(F)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449353957 1028588174 /nfs/dbraw/zinc/58/81/74/1028588174.db2.gz IQLHBMJCFPKRRZ-RCCFBDPRSA-N 1 3 322.443 3.922 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC[C@H](C)F)ccc1OC ZINC000815645494 1028588936 /nfs/dbraw/zinc/58/89/36/1028588936.db2.gz HNHMWDWZKARDRS-LSDHHAIUSA-N 1 3 310.457 3.936 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CSc3ccccc32)CC1 ZINC000449360246 1028592954 /nfs/dbraw/zinc/59/29/54/1028592954.db2.gz HSZZOXAXHJWODS-CQSZACIVSA-N 1 3 304.503 3.728 20 0 DHADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CSc3ccccc32)CC1 ZINC000449360246 1028592962 /nfs/dbraw/zinc/59/29/62/1028592962.db2.gz HSZZOXAXHJWODS-CQSZACIVSA-N 1 3 304.503 3.728 20 0 DHADHO CC(C)c1nccn1[C@@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000370494811 1028608636 /nfs/dbraw/zinc/60/86/36/1028608636.db2.gz KSPZZNRJZHJLIF-QZTJIDSGSA-N 1 3 318.509 3.518 20 0 DHADHO CC(C)c1nccn1[C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000370494811 1028608640 /nfs/dbraw/zinc/60/86/40/1028608640.db2.gz KSPZZNRJZHJLIF-QZTJIDSGSA-N 1 3 318.509 3.518 20 0 DHADHO CC(C)c1nccn1[C@@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000370494811 1028608647 /nfs/dbraw/zinc/60/86/47/1028608647.db2.gz KSPZZNRJZHJLIF-QZTJIDSGSA-N 1 3 318.509 3.518 20 0 DHADHO CC(C)c1nccn1[C@@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000370494811 1028608655 /nfs/dbraw/zinc/60/86/55/1028608655.db2.gz KSPZZNRJZHJLIF-QZTJIDSGSA-N 1 3 318.509 3.518 20 0 DHADHO CC(C)Oc1ccc(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000565945031 1028656738 /nfs/dbraw/zinc/65/67/38/1028656738.db2.gz BUYVOVFPUCOULA-UXHICEINSA-N 1 3 310.441 3.751 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1Cl ZINC000567192394 1028853596 /nfs/dbraw/zinc/85/35/96/1028853596.db2.gz SBKNJUNHHUGFHK-JZIBPQBNSA-N 1 3 308.853 3.624 20 0 DHADHO COc1ccc(Oc2ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc2)cc1 ZINC000567613344 1028927346 /nfs/dbraw/zinc/92/73/46/1028927346.db2.gz ZNTUWVPBRJUVNX-CABCVRRESA-N 1 3 314.429 3.703 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000373162732 1028965348 /nfs/dbraw/zinc/96/53/48/1028965348.db2.gz DKIZDIBZKWAGPT-MJGOQNOKSA-N 1 3 316.489 3.617 20 0 DHADHO CC(C)(C)[NH+]1CCC(N[C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000373162732 1028965365 /nfs/dbraw/zinc/96/53/65/1028965365.db2.gz DKIZDIBZKWAGPT-MJGOQNOKSA-N 1 3 316.489 3.617 20 0 DHADHO CCO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449760906 1028968732 /nfs/dbraw/zinc/96/87/32/1028968732.db2.gz SIVRWAMQEHOXCD-MTFMMBMASA-N 1 3 322.537 3.967 20 0 DHADHO CCO[C@@H]1CCCC[C@H]1[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449760906 1028968756 /nfs/dbraw/zinc/96/87/56/1028968756.db2.gz SIVRWAMQEHOXCD-MTFMMBMASA-N 1 3 322.537 3.967 20 0 DHADHO CCO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449756590 1028979426 /nfs/dbraw/zinc/97/94/26/1028979426.db2.gz BMFGVTVYEYFVDG-VBSBHUPXSA-N 1 3 322.537 3.967 20 0 DHADHO CN1CCCC[C@H](C[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628425926 1029052249 /nfs/dbraw/zinc/05/22/49/1029052249.db2.gz ZJAFJPVCJSEUBN-OAHLLOKOSA-N 1 3 314.395 3.569 20 0 DHADHO Fc1ccc(CC[NH2+]C2CCN(C3CCCC3)CC2)cc1F ZINC000373734003 1029121397 /nfs/dbraw/zinc/12/13/97/1029121397.db2.gz PJEHYOIFPHCKNL-UHFFFAOYSA-N 1 3 308.416 3.504 20 0 DHADHO Fc1ccc(CCNC2CC[NH+](C3CCCC3)CC2)cc1F ZINC000373734003 1029121408 /nfs/dbraw/zinc/12/14/08/1029121408.db2.gz PJEHYOIFPHCKNL-UHFFFAOYSA-N 1 3 308.416 3.504 20 0 DHADHO Cc1cnccc1CNC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000568949919 1029150210 /nfs/dbraw/zinc/15/02/10/1029150210.db2.gz UESGOVMRTZDSCI-WMZOPIPTSA-N 1 3 315.486 3.624 20 0 DHADHO Cc1cnccc1CNC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000568949919 1029150214 /nfs/dbraw/zinc/15/02/14/1029150214.db2.gz UESGOVMRTZDSCI-WMZOPIPTSA-N 1 3 315.486 3.624 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)Cc1ccccc1Cl ZINC000817909030 1029272555 /nfs/dbraw/zinc/27/25/55/1029272555.db2.gz WMEKNAIRFSDVKZ-OLZOCXBDSA-N 1 3 317.864 3.784 20 0 DHADHO C[C@@H](C[NH3+])CN[C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817961791 1029299835 /nfs/dbraw/zinc/29/98/35/1029299835.db2.gz CLFDFAKEYJBGEG-HZMBPMFUSA-N 1 3 300.418 3.563 20 0 DHADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)nc1 ZINC000817980903 1029317734 /nfs/dbraw/zinc/31/77/34/1029317734.db2.gz FPNFOYJDUBLPKA-XJKSGUPXSA-N 1 3 303.837 3.866 20 0 DHADHO Cc1nc(C)c(CN[C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000820812864 1029771163 /nfs/dbraw/zinc/77/11/63/1029771163.db2.gz UMEHHDWTSSADIG-GFCCVEGCSA-N 1 3 303.475 3.672 20 0 DHADHO C1CC([C@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@@H]2CCOC2)C1 ZINC000865759850 1030009360 /nfs/dbraw/zinc/00/93/60/1030009360.db2.gz SPNGGIRMOVFFRK-XLIONFOSSA-N 1 3 320.521 3.578 20 0 DHADHO C[C@H](CCc1cccnc1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000866338253 1030241239 /nfs/dbraw/zinc/24/12/39/1030241239.db2.gz YYRQUGNIYYXAJV-ZHALLVOQSA-N 1 3 315.505 3.645 20 0 DHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(C)ccc2C)[C@@H](C)C1 ZINC000557802740 1030298549 /nfs/dbraw/zinc/29/85/49/1030298549.db2.gz FIUMCNITGRFTFH-AZUAARDMSA-N 1 3 318.505 3.530 20 0 DHADHO CCOCCC[N@H+]1CC[C@@H](NCc2cc(C)ccc2C)[C@@H](C)C1 ZINC000557802740 1030298559 /nfs/dbraw/zinc/29/85/59/1030298559.db2.gz FIUMCNITGRFTFH-AZUAARDMSA-N 1 3 318.505 3.530 20 0 DHADHO Cc1nc([C@@H](C)NCCC2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000866467303 1030306881 /nfs/dbraw/zinc/30/68/81/1030306881.db2.gz CNPLIUNJFCRJGG-CYBMUJFWSA-N 1 3 309.523 3.921 20 0 DHADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCCC2 ZINC000151983943 1030372245 /nfs/dbraw/zinc/37/22/45/1030372245.db2.gz RAPLSSQJHILHLA-RTBURBONSA-N 1 3 320.521 3.721 20 0 DHADHO CC1(C)[C@H]([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)[C@@H]2CCCN[C@@H]21 ZINC000925542135 1030395715 /nfs/dbraw/zinc/39/57/15/1030395715.db2.gz NOGZZCZXXSNORI-VYDRJRHOSA-N 1 3 318.427 3.721 20 0 DHADHO CCOCCC1(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CCCC1 ZINC000925556128 1030401710 /nfs/dbraw/zinc/40/17/10/1030401710.db2.gz KLTDBXSPADSEHX-OALUTQOASA-N 1 3 322.537 3.731 20 0 DHADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925655072 1030440149 /nfs/dbraw/zinc/44/01/49/1030440149.db2.gz JDCBFIKLJNYHJU-BLYMFVFMSA-N 1 3 304.865 3.705 20 0 DHADHO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925681617 1030451333 /nfs/dbraw/zinc/45/13/33/1030451333.db2.gz WGZXUBYSSIGEMX-BZUAXINKSA-N 1 3 300.437 3.570 20 0 DHADHO c1ccc2c(CC[NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)ccnc2c1 ZINC000925705097 1030457664 /nfs/dbraw/zinc/45/76/64/1030457664.db2.gz JJKCJCDYADNYFF-TZIWHRDSSA-N 1 3 323.484 3.535 20 0 DHADHO C[C@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000358456101 1030495566 /nfs/dbraw/zinc/49/55/66/1030495566.db2.gz AITDPHARXNEKLU-LCMLCXGQSA-N 1 3 308.510 3.575 20 0 DHADHO FC1(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000558257532 1030503416 /nfs/dbraw/zinc/50/34/16/1030503416.db2.gz QWJLPWFCYDXCKB-GBESFXJTSA-N 1 3 316.464 3.769 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2cccc(C)n2)CC1)CC(C)C ZINC000358741348 1030609464 /nfs/dbraw/zinc/60/94/64/1030609464.db2.gz WUTAWVCYAXEHMJ-UHFFFAOYSA-N 1 3 317.521 3.970 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2cccc(C)n2)CC1)CC(C)C ZINC000358741348 1030609477 /nfs/dbraw/zinc/60/94/77/1030609477.db2.gz WUTAWVCYAXEHMJ-UHFFFAOYSA-N 1 3 317.521 3.970 20 0 DHADHO Cc1cccc(CN(CCC2CC[NH2+]CC2)Cc2ccccn2)c1 ZINC000359229571 1030849214 /nfs/dbraw/zinc/84/92/14/1030849214.db2.gz YBVFLLKFCWDSBG-UHFFFAOYSA-N 1 3 323.484 3.782 20 0 DHADHO C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1cccc(C[NH+](C)C)c1 ZINC000926708468 1030873217 /nfs/dbraw/zinc/87/32/17/1030873217.db2.gz IKKRAHWFZZBCPH-VLIAUNLRSA-N 1 3 310.441 3.792 20 0 DHADHO CN(CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC001204863077 1030879804 /nfs/dbraw/zinc/87/98/04/1030879804.db2.gz CMASTCLASXIUKM-LBPRGKRZSA-N 1 3 301.261 3.815 20 0 DHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171109762 1030991614 /nfs/dbraw/zinc/99/16/14/1030991614.db2.gz MGBNRLRZRQISSI-FGTMMUONSA-N 1 3 306.881 3.660 20 0 DHADHO C[C@@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1cccc(C[NH+](C)C)c1 ZINC000926920214 1030995292 /nfs/dbraw/zinc/99/52/92/1030995292.db2.gz PPUQUXZXZFFGIS-HZPDHXFCSA-N 1 3 324.468 3.922 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261615188 1031046895 /nfs/dbraw/zinc/04/68/95/1031046895.db2.gz CQPNWHDWQFTURL-HXUWFJFHSA-N 1 3 310.441 3.533 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CC[C@@H]2OCCc3ccccc32)CC1 ZINC000927114782 1031097445 /nfs/dbraw/zinc/09/74/45/1031097445.db2.gz FRUCMYZRYACUST-IBGZPJMESA-N 1 3 316.489 3.543 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@]2(c3ccccc3)CCCO2)CC1 ZINC000927114132 1031097649 /nfs/dbraw/zinc/09/76/49/1031097649.db2.gz BZIGKYXVIDLNLU-FQEVSTJZSA-N 1 3 316.489 3.545 20 0 DHADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc([O-])c1F ZINC000872021905 1031405577 /nfs/dbraw/zinc/40/55/77/1031405577.db2.gz FVQZOSIRMUAFKG-LSDHHAIUSA-N 1 3 308.441 3.694 20 0 DHADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc([O-])c1F ZINC000872021905 1031405583 /nfs/dbraw/zinc/40/55/83/1031405583.db2.gz FVQZOSIRMUAFKG-LSDHHAIUSA-N 1 3 308.441 3.694 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000536876183 1031462893 /nfs/dbraw/zinc/46/28/93/1031462893.db2.gz LLRMXPREFYVNLT-DYESRHJHSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000536876183 1031462898 /nfs/dbraw/zinc/46/28/98/1031462898.db2.gz LLRMXPREFYVNLT-DYESRHJHSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(OC(F)F)cc1 ZINC000537017058 1031483392 /nfs/dbraw/zinc/48/33/92/1031483392.db2.gz GRUACDOUBNAWLY-UKRRQHHQSA-N 1 3 312.404 3.813 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000536998182 1031486721 /nfs/dbraw/zinc/48/67/21/1031486721.db2.gz IYZVVESSAMLKOT-BEFAXECRSA-N 1 3 304.453 3.987 20 0 DHADHO C[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)CN1CCCCC1 ZINC000360837783 1031581671 /nfs/dbraw/zinc/58/16/71/1031581671.db2.gz RITFCNRBCDLMSR-QFBILLFUSA-N 1 3 301.478 3.634 20 0 DHADHO CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211119 1031761097 /nfs/dbraw/zinc/76/10/97/1031761097.db2.gz VWYPTHZIYJVCTD-ZDUSSCGKSA-N 1 3 318.408 3.557 20 0 DHADHO Clc1cccc2c1CC[C@@H]2NCc1cc2c(s1)CC[NH2+]C2 ZINC000873211217 1031761230 /nfs/dbraw/zinc/76/12/30/1031761230.db2.gz KLYJNTAUYIRCSU-INIZCTEOSA-N 1 3 318.873 3.824 20 0 DHADHO FC(F)(F)CCN(Cc1cc2c(s1)CC[NH2+]C2)CC1CC1 ZINC000873208599 1031762032 /nfs/dbraw/zinc/76/20/32/1031762032.db2.gz XVVZVDKQWPYLLS-UHFFFAOYSA-N 1 3 318.408 3.558 20 0 DHADHO Cc1ccc2cc(C[N@@H+]3CC[C@](CN)(C(C)(C)C)C3)ccc2n1 ZINC000873223347 1031763104 /nfs/dbraw/zinc/76/31/04/1031763104.db2.gz KRUQINZLFVLRML-HXUWFJFHSA-N 1 3 311.473 3.740 20 0 DHADHO Cc1ccc2cc(C[N@H+]3CC[C@](CN)(C(C)(C)C)C3)ccc2n1 ZINC000873223347 1031763118 /nfs/dbraw/zinc/76/31/18/1031763118.db2.gz KRUQINZLFVLRML-HXUWFJFHSA-N 1 3 311.473 3.740 20 0 DHADHO CC(C)n1cc(CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232263 1031768197 /nfs/dbraw/zinc/76/81/97/1031768197.db2.gz NVRJJIZYHOWWNE-VQIMIIECSA-N 1 3 318.509 3.584 20 0 DHADHO COc1ccc([C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C2CC2)cc1 ZINC000873244538 1031771283 /nfs/dbraw/zinc/77/12/83/1031771283.db2.gz MQTDPXJAJBMWNW-FUHWJXTLSA-N 1 3 302.462 3.514 20 0 DHADHO CCC(CC)(CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000873248077 1031772173 /nfs/dbraw/zinc/77/21/73/1031772173.db2.gz ZFJOIMBKVUMOMQ-BFHYXJOUSA-N 1 3 306.416 3.865 20 0 DHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873273600 1031785324 /nfs/dbraw/zinc/78/53/24/1031785324.db2.gz JFDHHFTWRCASDX-BYNSBNAKSA-N 1 3 304.400 3.784 20 0 DHADHO C[C@@H]1CC2(CC([NH2+]C3CCN([C@@H]4CCC[C@@H](C)C4)CC3)C2)CO1 ZINC000897779523 1031830530 /nfs/dbraw/zinc/83/05/30/1031830530.db2.gz QSPBWAPVKIKUNU-LJZGOAPGSA-N 1 3 320.521 3.577 20 0 DHADHO C[C@H](Cc1cccnc1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000897969195 1031901053 /nfs/dbraw/zinc/90/10/53/1031901053.db2.gz GHSDDGKILIUWSB-MBOZVWFJSA-N 1 3 315.505 3.645 20 0 DHADHO CCCC[N@H+](C[C@H]1C[C@@H](OC)C1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034321 1032015996 /nfs/dbraw/zinc/01/59/96/1032015996.db2.gz RANRXBVWLUXIAN-WOVMCDHWSA-N 1 3 310.526 3.823 20 0 DHADHO CCCC[N@@H+](C[C@H]1C[C@@H](OC)C1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034321 1032016004 /nfs/dbraw/zinc/01/60/04/1032016004.db2.gz RANRXBVWLUXIAN-WOVMCDHWSA-N 1 3 310.526 3.823 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000044534157 1032052491 /nfs/dbraw/zinc/05/24/91/1032052491.db2.gz WZYACFWESYKGQN-QWHCGFSZSA-N 1 3 300.368 3.698 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000044534157 1032052516 /nfs/dbraw/zinc/05/25/16/1032052516.db2.gz WZYACFWESYKGQN-QWHCGFSZSA-N 1 3 300.368 3.698 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(Cl)cc1Cl ZINC000044534509 1032053041 /nfs/dbraw/zinc/05/30/41/1032053041.db2.gz ZDBTWBCJGXMEGO-NEPJUHHUSA-N 1 3 301.261 3.986 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001172854524 1033423449 /nfs/dbraw/zinc/42/34/49/1033423449.db2.gz OVIPXWCWGLGNRE-ZDUSSCGKSA-N 1 3 300.849 3.732 20 0 DHADHO CC[NH+](CC)CCCN[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172854524 1033423438 /nfs/dbraw/zinc/42/34/38/1033423438.db2.gz OVIPXWCWGLGNRE-ZDUSSCGKSA-N 1 3 300.849 3.732 20 0 DHADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001172859409 1033428706 /nfs/dbraw/zinc/42/87/06/1033428706.db2.gz JRDFJGYNWZGFQA-KCXAZCMYSA-N 1 3 312.860 3.873 20 0 DHADHO Cc1cc(N2CCN(Cc3cccc4ccccc43)CC2)cc[nH+]1 ZINC000478275095 1033447907 /nfs/dbraw/zinc/44/79/07/1033447907.db2.gz FUTDYOBLWFRLLY-UHFFFAOYSA-N 1 3 317.436 3.865 20 0 DHADHO Cc1cccc([C@H](N[C@@H]2CC23CC[NH2+]CC3)c2cccc(F)c2)c1 ZINC000643536214 1033476059 /nfs/dbraw/zinc/47/60/59/1033476059.db2.gz OIWPUYSBNZPFNO-UXHICEINSA-N 1 3 324.443 3.955 20 0 DHADHO CCCOC1CCC([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001173092745 1033523475 /nfs/dbraw/zinc/52/34/75/1033523475.db2.gz CMLQVRVQYOHMHH-UHFFFAOYSA-N 1 3 310.526 3.965 20 0 DHADHO CC[C@@H]1CC[C@@H](N2CCC([NH3+])(c3ccc(OC)cc3)CC2)C1 ZINC001173273953 1033642504 /nfs/dbraw/zinc/64/25/04/1033642504.db2.gz HWJYMQXOXFUMAV-NVXWUHKLSA-N 1 3 302.462 3.524 20 0 DHADHO CC[C@H]1CC[C@@H](N2CCC([NH3+])(c3cccc(OC)c3)CC2)C1 ZINC001173272249 1033642764 /nfs/dbraw/zinc/64/27/64/1033642764.db2.gz UJXZLWNSPVYCLB-DOTOQJQBSA-N 1 3 302.462 3.524 20 0 DHADHO CCSC[C@H](C)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001173294633 1033653506 /nfs/dbraw/zinc/65/35/06/1033653506.db2.gz GTSCBWUATYZDTN-HNNXBMFYSA-N 1 3 324.509 3.769 20 0 DHADHO [NH3+][C@H]1CCN(Cc2ccc(Cc3ccccc3)cc2)CC[C@@H]1F ZINC001206199066 1033722010 /nfs/dbraw/zinc/72/20/10/1033722010.db2.gz NQPXAHZGZXETNU-PMACEKPBSA-N 1 3 312.432 3.539 20 0 DHADHO C[C@@H](CNCC(C)(C)C[N@H+](C)Cc1ccccc1)C(F)(F)F ZINC000479586831 1033826239 /nfs/dbraw/zinc/82/62/39/1033826239.db2.gz DLJKFNJNZYCLLI-AWEZNQCLSA-N 1 3 316.411 3.933 20 0 DHADHO C[C@@H](CNCC(C)(C)C[N@@H+](C)Cc1ccccc1)C(F)(F)F ZINC000479586831 1033826250 /nfs/dbraw/zinc/82/62/50/1033826250.db2.gz DLJKFNJNZYCLLI-AWEZNQCLSA-N 1 3 316.411 3.933 20 0 DHADHO COc1ccc2oc([C@H](C)[NH2+]CC(C)(C)CN(C)C)c(C)c2c1 ZINC000479850358 1033926878 /nfs/dbraw/zinc/92/68/78/1033926878.db2.gz HKNHLKOJVNVMSK-AWEZNQCLSA-N 1 3 318.461 3.988 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CC(C(F)(F)F)C3)CC2)C1 ZINC000554140045 1033985019 /nfs/dbraw/zinc/98/50/19/1033985019.db2.gz QONXJQXXCLKLIR-FKFRUQKQSA-N 1 3 318.427 3.960 20 0 DHADHO C[C@@H](NCc1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178023698 1034202347 /nfs/dbraw/zinc/20/23/47/1034202347.db2.gz QMXGYLWHRYYEJQ-CQSZACIVSA-N 1 3 304.459 3.539 20 0 DHADHO CCOc1cccc([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC001168362819 1034208314 /nfs/dbraw/zinc/20/83/14/1034208314.db2.gz KTGMQITXKJEUKA-OAHLLOKOSA-N 1 3 302.462 3.610 20 0 DHADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccsc1 ZINC000178618373 1034252231 /nfs/dbraw/zinc/25/22/31/1034252231.db2.gz NZRZYBHHYFITJC-HNNXBMFYSA-N 1 3 318.486 3.929 20 0 DHADHO c1ccc(CCCCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000480558811 1034314090 /nfs/dbraw/zinc/31/40/90/1034314090.db2.gz SUYOXROPGQPRCA-HXUWFJFHSA-N 1 3 300.490 3.960 20 0 DHADHO Cc1cncc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000184262548 1034457705 /nfs/dbraw/zinc/45/77/05/1034457705.db2.gz FOYRKPKMPRPDNI-KRWDZBQOSA-N 1 3 309.457 3.837 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000481032214 1034555883 /nfs/dbraw/zinc/55/58/83/1034555883.db2.gz DLXWKUSJZXMUMO-CLCXKQKWSA-N 1 3 304.453 3.771 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000481032214 1034555893 /nfs/dbraw/zinc/55/58/93/1034555893.db2.gz DLXWKUSJZXMUMO-CLCXKQKWSA-N 1 3 304.453 3.771 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)C1 ZINC000481024494 1034558478 /nfs/dbraw/zinc/55/84/78/1034558478.db2.gz OUEIZHRNTDOOGS-UYAOXDASSA-N 1 3 300.490 3.638 20 0 DHADHO CN1CCN(c2ccc(Nc3cc[nH+]c(C4CCC4)c3)cc2)CC1 ZINC001174814961 1034616807 /nfs/dbraw/zinc/61/68/07/1034616807.db2.gz UWIYJKKZBFWQQZ-UHFFFAOYSA-N 1 3 322.456 3.845 20 0 DHADHO C[NH+](C)CC1CCC(NCc2nc(C(C)(C)C)cs2)CC1 ZINC000865508487 1034681907 /nfs/dbraw/zinc/68/19/07/1034681907.db2.gz IVEORCMMMJXGPU-UHFFFAOYSA-N 1 3 309.523 3.651 20 0 DHADHO C(CC1CCCCC1)CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC001175070443 1034794181 /nfs/dbraw/zinc/79/41/81/1034794181.db2.gz UOUUZCORRFOFBD-UHFFFAOYSA-N 1 3 308.510 3.534 20 0 DHADHO C(CC1CCCCC1)CN1CCC([N@H+]2CCCOCC2)CC1 ZINC001175070443 1034794189 /nfs/dbraw/zinc/79/41/89/1034794189.db2.gz UOUUZCORRFOFBD-UHFFFAOYSA-N 1 3 308.510 3.534 20 0 DHADHO C[C@@H]1CN(CCSC2CCCCC2)CCN1c1cc[nH+]cc1 ZINC001175775725 1035118257 /nfs/dbraw/zinc/11/82/57/1035118257.db2.gz UGNWGYRBSYNAMJ-MRXNPFEDSA-N 1 3 319.518 3.658 20 0 DHADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000162515309 1035250880 /nfs/dbraw/zinc/25/08/80/1035250880.db2.gz IXQXWUMLECTQFM-UHFFFAOYSA-N 1 3 306.347 3.522 20 0 DHADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000483188234 1035239607 /nfs/dbraw/zinc/23/96/07/1035239607.db2.gz ARWZAZXLDXPLKR-KBXCAEBGSA-N 1 3 304.478 3.734 20 0 DHADHO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000484468687 1035337100 /nfs/dbraw/zinc/33/71/00/1035337100.db2.gz CIFDEWMDZZECSS-JQHSSLGASA-N 1 3 304.478 3.999 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cccc(O)c1 ZINC000194971251 1035381468 /nfs/dbraw/zinc/38/14/68/1035381468.db2.gz IUBXHUWALFAYJS-SJLPKXTDSA-N 1 3 310.441 3.565 20 0 DHADHO CC(C)(C)CC[C@H](N)C[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000904360652 1035403688 /nfs/dbraw/zinc/40/36/88/1035403688.db2.gz NJGGNVUFJLCZPE-RBUKOAKNSA-N 1 3 314.473 3.616 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1F ZINC000195136498 1035414806 /nfs/dbraw/zinc/41/48/06/1035414806.db2.gz KMXUWZMCENHLDT-AEFFLSMTSA-N 1 3 312.432 3.998 20 0 DHADHO CC(C)(C[NH3+])C1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904446028 1035416173 /nfs/dbraw/zinc/41/61/73/1035416173.db2.gz WOSONQUARUXXPO-UHFFFAOYSA-N 1 3 314.395 3.960 20 0 DHADHO Cc1ccc(COc2ccc(CNCCC[NH+]3CCC3)cc2)cc1 ZINC001178398317 1035425104 /nfs/dbraw/zinc/42/51/04/1035425104.db2.gz MNPVODDPHRQYEI-UHFFFAOYSA-N 1 3 324.468 3.759 20 0 DHADHO COc1ccnc(NCC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC001178383008 1035425211 /nfs/dbraw/zinc/42/52/11/1035425211.db2.gz UCRZDVYRPNWIKM-UHFFFAOYSA-N 1 3 313.445 3.660 20 0 DHADHO COc1ccnc(NCC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC001178383008 1035425214 /nfs/dbraw/zinc/42/52/14/1035425214.db2.gz UCRZDVYRPNWIKM-UHFFFAOYSA-N 1 3 313.445 3.660 20 0 DHADHO CC(C)(C[NH2+]C1CCc2ccccc2CC1)CN1CCCC1 ZINC001178615097 1035439409 /nfs/dbraw/zinc/43/94/09/1035439409.db2.gz QWAKXOOMSFVQRH-UHFFFAOYSA-N 1 3 300.490 3.646 20 0 DHADHO CCCN1CCC([N@H+](C)Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191262230 1035673180 /nfs/dbraw/zinc/67/31/80/1035673180.db2.gz XVXGPYUVISUJQD-UHFFFAOYSA-N 1 3 316.489 3.782 20 0 DHADHO CCCN1CCC([N@@H+](C)Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191262230 1035673192 /nfs/dbraw/zinc/67/31/92/1035673192.db2.gz XVXGPYUVISUJQD-UHFFFAOYSA-N 1 3 316.489 3.782 20 0 DHADHO C[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)(C)C ZINC000668513577 1035723726 /nfs/dbraw/zinc/72/37/26/1035723726.db2.gz UJXJQZNBXHYPQG-MRXNPFEDSA-N 1 3 303.494 3.565 20 0 DHADHO C[C@H](CC[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C)N1CCCCC1 ZINC001180812436 1035767469 /nfs/dbraw/zinc/76/74/69/1035767469.db2.gz ZTVSRQPRKNGLMU-IKGGRYGDSA-N 1 3 310.526 3.823 20 0 DHADHO C[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)CN1CCCCC1 ZINC000192704015 1035810770 /nfs/dbraw/zinc/81/07/70/1035810770.db2.gz MZBGYMXFWNUDTQ-QFBILLFUSA-N 1 3 301.478 3.645 20 0 DHADHO Cc1ccc([C@@H]([NH2+]C[C@H]2CCN(C3CC3)C2)C2CCCC2)o1 ZINC000540474583 1036079677 /nfs/dbraw/zinc/07/96/77/1036079677.db2.gz CEBYSSHXYCYWJS-BEFAXECRSA-N 1 3 302.462 3.893 20 0 DHADHO COc1ccc(C2([NH2+]C3CCN(C(C)(C)C)CC3)CC2)cc1 ZINC000540723900 1036139758 /nfs/dbraw/zinc/13/97/58/1036139758.db2.gz PQEINNPVAKCIEP-UHFFFAOYSA-N 1 3 302.462 3.537 20 0 DHADHO c1ccc(C[NH+]2CCC(NC3(c4ccccc4)CC3)CC2)cc1 ZINC000540723670 1036141241 /nfs/dbraw/zinc/14/12/41/1036141241.db2.gz NMZZGMYANHTZGX-UHFFFAOYSA-N 1 3 306.453 3.930 20 0 DHADHO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001195534435 1036278336 /nfs/dbraw/zinc/27/83/36/1036278336.db2.gz CYDASKQOGXVQMA-FQEVSTJZSA-N 1 3 307.441 3.671 20 0 DHADHO c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCCN(c2ccncc2)CC1 ZINC001195534435 1036278354 /nfs/dbraw/zinc/27/83/54/1036278354.db2.gz CYDASKQOGXVQMA-FQEVSTJZSA-N 1 3 307.441 3.671 20 0 DHADHO c1ccc(CCCC[N@@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC001195536044 1036279340 /nfs/dbraw/zinc/27/93/40/1036279340.db2.gz NERLJSDQPREGLQ-UHFFFAOYSA-N 1 3 309.457 3.617 20 0 DHADHO c1ccc(CCCC[N@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC001195536044 1036279357 /nfs/dbraw/zinc/27/93/57/1036279357.db2.gz NERLJSDQPREGLQ-UHFFFAOYSA-N 1 3 309.457 3.617 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000629546093 1036323172 /nfs/dbraw/zinc/32/31/72/1036323172.db2.gz FRKBSBPJKQKTJZ-MMPTUQATSA-N 1 3 305.853 3.914 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774442976 1036333987 /nfs/dbraw/zinc/33/39/87/1036333987.db2.gz YMWOHPLNMIIVTE-SCVCMEIPSA-N 1 3 316.276 3.709 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774442976 1036334004 /nfs/dbraw/zinc/33/40/04/1036334004.db2.gz YMWOHPLNMIIVTE-SCVCMEIPSA-N 1 3 316.276 3.709 20 0 DHADHO C[NH+](C)CCC1CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000541774314 1036428487 /nfs/dbraw/zinc/42/84/87/1036428487.db2.gz SUJLULSXYMHMKS-ARJAWSKDSA-N 1 3 308.416 3.642 20 0 DHADHO Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)o1 ZINC000541882369 1036451855 /nfs/dbraw/zinc/45/18/55/1036451855.db2.gz GVXRYHGVIDSZQM-HLAWJBBLSA-N 1 3 324.468 3.631 20 0 DHADHO Clc1ccc([C@@H]2C[C@@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168372662 1036640357 /nfs/dbraw/zinc/64/03/57/1036640357.db2.gz ZUEDLCSYYBNZIP-ROUUACIJSA-N 1 3 304.865 3.660 20 0 DHADHO CCOc1ccc(CC[NH2+]C2CCN(CCC(C)C)CC2)cc1 ZINC001184143609 1036748606 /nfs/dbraw/zinc/74/86/06/1036748606.db2.gz UZIAVHYXCCYUAZ-UHFFFAOYSA-N 1 3 318.505 3.728 20 0 DHADHO CCN(CC)CC[C@H]([NH2+][C@@H](C)C[C@H]1CCOC1)c1ccccc1 ZINC001184339710 1036816308 /nfs/dbraw/zinc/81/63/08/1036816308.db2.gz RTUCSZKEIXIPSG-NSHGMRRFSA-N 1 3 318.505 3.864 20 0 DHADHO Cc1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1C ZINC000488569027 1037077012 /nfs/dbraw/zinc/07/70/12/1037077012.db2.gz NBKSNIBICVAJKY-JOCHJYFZSA-N 1 3 322.496 3.958 20 0 DHADHO C[C@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309833959 1037184658 /nfs/dbraw/zinc/18/46/58/1037184658.db2.gz HPKRSWWQJOGTIU-LPHOPBHVSA-N 1 3 312.432 3.826 20 0 DHADHO C[NH2+]CC1CCN(Cc2sc(Cl)c3ccccc32)CC1 ZINC001235679654 1037227159 /nfs/dbraw/zinc/22/71/59/1037227159.db2.gz MHLBTQSNCKTTBZ-UHFFFAOYSA-N 1 3 308.878 3.986 20 0 DHADHO COCc1c(C)cc(C)c(CNC[C@@H](C)C[NH+]2CCCC2)c1C ZINC001199403625 1037261449 /nfs/dbraw/zinc/26/14/49/1037261449.db2.gz XDUBAAGBBURWDA-OAHLLOKOSA-N 1 3 318.505 3.580 20 0 DHADHO CCCCN1CCC([NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC001199784095 1037338998 /nfs/dbraw/zinc/33/89/98/1037338998.db2.gz OVQODEOZPGWVGL-SNAWJCMRSA-N 1 3 308.416 3.832 20 0 DHADHO CC[C@@H](NC1CC[NH+](CC)CC1)c1ccc2c(c1)CCCO2 ZINC000152626675 1037473816 /nfs/dbraw/zinc/47/38/16/1037473816.db2.gz VRFOHWRVXGGJHW-GOSISDBHSA-N 1 3 302.462 3.537 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000037644641 1037836896 /nfs/dbraw/zinc/83/68/96/1037836896.db2.gz WJTSDFUVUGDDML-GXTWGEPZSA-N 1 3 309.523 3.741 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)C1 ZINC000124166541 1037884279 /nfs/dbraw/zinc/88/42/79/1037884279.db2.gz KIPPFTXCEWQFDZ-IRXDYDNUSA-N 1 3 304.478 3.714 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CCSCC1 ZINC000187536048 1037976653 /nfs/dbraw/zinc/97/66/53/1037976653.db2.gz GEQYQWFORAWPRC-YQQAZPJKSA-N 1 3 310.551 3.761 20 0 DHADHO CCCN1CCN(c2ccccc2C[NH2+]CCC=C(C)C)CC1 ZINC001201989528 1037978904 /nfs/dbraw/zinc/97/89/04/1037978904.db2.gz PEAJTJPARWTSFY-UHFFFAOYSA-N 1 3 315.505 3.665 20 0 DHADHO COc1cccc(CNCCCC[N@@H+]2CCCC[C@H]2C)c1F ZINC000192667384 1038099260 /nfs/dbraw/zinc/09/92/60/1038099260.db2.gz AKNFXRPVTBQOQM-OAHLLOKOSA-N 1 3 308.441 3.579 20 0 DHADHO COc1cccc(CNCCCC[N@H+]2CCCC[C@H]2C)c1F ZINC000192667384 1038099266 /nfs/dbraw/zinc/09/92/66/1038099266.db2.gz AKNFXRPVTBQOQM-OAHLLOKOSA-N 1 3 308.441 3.579 20 0 DHADHO Cc1csc(CCCNC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000157227996 1038271899 /nfs/dbraw/zinc/27/18/99/1038271899.db2.gz RFHZELSPAMAJAG-UHFFFAOYSA-N 1 3 321.534 3.771 20 0 DHADHO Cc1csc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)n1 ZINC000157227996 1038271908 /nfs/dbraw/zinc/27/19/08/1038271908.db2.gz RFHZELSPAMAJAG-UHFFFAOYSA-N 1 3 321.534 3.771 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCSC2)ccc1OC ZINC000775412982 1038384754 /nfs/dbraw/zinc/38/47/54/1038384754.db2.gz SXLUNXVYBFTEOM-WMLDXEAASA-N 1 3 322.518 3.693 20 0 DHADHO C[C@H]1SCCN(Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1C ZINC001191022161 1038421420 /nfs/dbraw/zinc/42/14/20/1038421420.db2.gz PWSPZKKPZHUYHS-IAGOWNOFSA-N 1 3 318.530 3.998 20 0 DHADHO CC(C)[N@H+](C)CC1CCN(CCOc2ccccc2Cl)CC1 ZINC000590786402 1038705143 /nfs/dbraw/zinc/70/51/43/1038705143.db2.gz BTNIGTDLFJTNMU-UHFFFAOYSA-N 1 3 324.896 3.771 20 0 DHADHO CC(C)[N@@H+](C)CC1CCN(CCOc2ccccc2Cl)CC1 ZINC000590786402 1038705153 /nfs/dbraw/zinc/70/51/53/1038705153.db2.gz BTNIGTDLFJTNMU-UHFFFAOYSA-N 1 3 324.896 3.771 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NCCOc2ccccc2-c2ccccc2)C1 ZINC000573338602 1038914788 /nfs/dbraw/zinc/91/47/88/1038914788.db2.gz SMEHOWVPGNZFDI-ZWKOTPCHSA-N 1 3 310.441 3.592 20 0 DHADHO CC[NH+](CC)CC1CCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000480500664 1039421367 /nfs/dbraw/zinc/42/13/67/1039421367.db2.gz LYZHBMKCWZWRPJ-UHFFFAOYSA-N 1 3 316.489 3.622 20 0 DHADHO Cc1ccc(C[NH2+]CC2CCN(Cc3cccs3)CC2)o1 ZINC000057973610 334952966 /nfs/dbraw/zinc/95/29/66/334952966.db2.gz QQEXTOLXSVCMFL-UHFFFAOYSA-N 1 3 304.459 3.651 20 0 DHADHO Cc1cccnc1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000093171262 193210744 /nfs/dbraw/zinc/21/07/44/193210744.db2.gz ZFQYTJIPSHMDMX-UHFFFAOYSA-N 1 3 323.484 3.734 20 0 DHADHO Cc1cccnc1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000093171262 193210746 /nfs/dbraw/zinc/21/07/46/193210746.db2.gz ZFQYTJIPSHMDMX-UHFFFAOYSA-N 1 3 323.484 3.734 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000093978082 193334064 /nfs/dbraw/zinc/33/40/64/193334064.db2.gz OISYIJKCSDNSGI-XUJVJEKNSA-N 1 3 311.267 3.582 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000093978082 193334065 /nfs/dbraw/zinc/33/40/65/193334065.db2.gz OISYIJKCSDNSGI-XUJVJEKNSA-N 1 3 311.267 3.582 20 0 DHADHO C[C@H](c1cccc(Br)c1)N1CCC([C@H](C)[NH3+])CC1 ZINC000110644039 194346068 /nfs/dbraw/zinc/34/60/68/194346068.db2.gz SRUYKEQGPYRHJA-NWDGAFQWSA-N 1 3 311.267 3.569 20 0 DHADHO CC(C)SCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000287115322 131264891 /nfs/dbraw/zinc/26/48/91/131264891.db2.gz QUTHRESYRDRVPO-REPLKXPHSA-N 1 3 318.530 3.913 20 0 DHADHO CC(C)SCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000287115322 131264892 /nfs/dbraw/zinc/26/48/92/131264892.db2.gz QUTHRESYRDRVPO-REPLKXPHSA-N 1 3 318.530 3.913 20 0 DHADHO Clc1cccc(CC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298238076 132052099 /nfs/dbraw/zinc/05/20/99/132052099.db2.gz CAIRZPFLZZIYHJ-UHFFFAOYSA-N 1 3 315.848 3.536 20 0 DHADHO Cc1cccnc1[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000298317996 132055654 /nfs/dbraw/zinc/05/56/54/132055654.db2.gz IFEROIRWFCIITL-IBGZPJMESA-N 1 3 324.472 3.741 20 0 DHADHO c1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298497464 132064927 /nfs/dbraw/zinc/06/49/27/132064927.db2.gz QFUCPNUVYAKBDJ-SFTDATJTSA-N 1 3 321.468 3.976 20 0 DHADHO [NH3+]CC1CCN(CCSc2cc(Cl)ccc2Cl)CC1 ZINC000044513323 132160185 /nfs/dbraw/zinc/16/01/85/132160185.db2.gz PRWBDOXQSYDJKX-UHFFFAOYSA-N 1 3 319.301 3.756 20 0 DHADHO CN1CCC(C[NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000044516523 132160783 /nfs/dbraw/zinc/16/07/83/132160783.db2.gz VJRIRYPNTOQHGC-UHFFFAOYSA-N 1 3 300.471 3.847 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)CCc1ccc(F)cc1F)CN1CCCC1 ZINC000570649459 332791161 /nfs/dbraw/zinc/79/11/61/332791161.db2.gz ORMOIEQNVGFGFL-CABCVRRESA-N 1 3 310.432 3.607 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CCCSC3)CC2)C1 ZINC000558238215 331886092 /nfs/dbraw/zinc/88/60/92/331886092.db2.gz PHBDMCGNIVRSEI-JFIYKMOQSA-N 1 3 310.551 3.762 20 0 DHADHO CC(C)CC[C@@](C)(O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000159343777 332078987 /nfs/dbraw/zinc/07/89/87/332078987.db2.gz NRQIQOVNOAJUAW-LJQANCHMSA-N 1 3 310.526 3.560 20 0 DHADHO CC(C)CC[C@@](C)(O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000159343777 332078990 /nfs/dbraw/zinc/07/89/90/332078990.db2.gz NRQIQOVNOAJUAW-LJQANCHMSA-N 1 3 310.526 3.560 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000091959924 332097259 /nfs/dbraw/zinc/09/72/59/332097259.db2.gz OQTDNWOAXFMVIV-XUJVJEKNSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000091959924 332097260 /nfs/dbraw/zinc/09/72/60/332097260.db2.gz OQTDNWOAXFMVIV-XUJVJEKNSA-N 1 3 300.368 3.839 20 0 DHADHO CCC[N@H+](Cc1ccccc1N(C)C1CCN(C)CC1)C(C)C ZINC000569471651 332098881 /nfs/dbraw/zinc/09/88/81/332098881.db2.gz KLFDWCNCVQIVHT-UHFFFAOYSA-N 1 3 317.521 3.837 20 0 DHADHO CCC[N@@H+](Cc1ccccc1N(C)C1CCN(C)CC1)C(C)C ZINC000569471651 332098882 /nfs/dbraw/zinc/09/88/82/332098882.db2.gz KLFDWCNCVQIVHT-UHFFFAOYSA-N 1 3 317.521 3.837 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000091959903 332116127 /nfs/dbraw/zinc/11/61/27/332116127.db2.gz DKAVZMGNKOCYHM-TYNCELHUSA-N 1 3 311.267 3.582 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000091959903 332116129 /nfs/dbraw/zinc/11/61/29/332116129.db2.gz DKAVZMGNKOCYHM-TYNCELHUSA-N 1 3 311.267 3.582 20 0 DHADHO COc1ccc2cc(CN(C)C[C@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000092253451 332123073 /nfs/dbraw/zinc/12/30/73/332123073.db2.gz CYFWIWFQIXFFOQ-KRWDZBQOSA-N 1 3 312.457 3.622 20 0 DHADHO COc1ccc2cc(CN(C)C[C@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000092253451 332123076 /nfs/dbraw/zinc/12/30/76/332123076.db2.gz CYFWIWFQIXFFOQ-KRWDZBQOSA-N 1 3 312.457 3.622 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCOC2(C)C)CC1 ZINC000449413467 332153219 /nfs/dbraw/zinc/15/32/19/332153219.db2.gz HDXIYKUZLVTDHZ-MRXNPFEDSA-N 1 3 310.526 3.823 20 0 DHADHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000449413467 332153221 /nfs/dbraw/zinc/15/32/21/332153221.db2.gz HDXIYKUZLVTDHZ-MRXNPFEDSA-N 1 3 310.526 3.823 20 0 DHADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426048847 335095440 /nfs/dbraw/zinc/09/54/40/335095440.db2.gz JPOQIGKLUVMUPC-DOTOQJQBSA-N 1 3 318.461 3.749 20 0 DHADHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000531104900 332263920 /nfs/dbraw/zinc/26/39/20/332263920.db2.gz RAJUBJPURLMPNG-MAUKXSAKSA-N 1 3 324.896 3.834 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000560021361 332302603 /nfs/dbraw/zinc/30/26/03/332302603.db2.gz FTAAZCWWNILVKZ-UONOGXRCSA-N 1 3 312.860 3.874 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Oc1cccc(C)c1 ZINC000560544669 332356383 /nfs/dbraw/zinc/35/63/83/332356383.db2.gz RYGIRRFBSKIMNS-VBSBHUPXSA-N 1 3 316.489 3.615 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Oc1cccc(C)c1 ZINC000560544669 332356384 /nfs/dbraw/zinc/35/63/84/332356384.db2.gz RYGIRRFBSKIMNS-VBSBHUPXSA-N 1 3 316.489 3.615 20 0 DHADHO C[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1nccs1 ZINC000179407880 333025382 /nfs/dbraw/zinc/02/53/82/333025382.db2.gz AHLLIENGHSEFCX-HNNXBMFYSA-N 1 3 315.486 3.706 20 0 DHADHO CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]1CCN(CC)C1 ZINC000314187391 333092634 /nfs/dbraw/zinc/09/26/34/333092634.db2.gz YCJGTVWPOSCZCS-HUUCEWRRSA-N 1 3 300.446 3.988 20 0 DHADHO c1ccc(CN2CCCC[C@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000309827031 333201245 /nfs/dbraw/zinc/20/12/45/333201245.db2.gz FDASZIPOSLXFOZ-RTBURBONSA-N 1 3 318.530 3.631 20 0 DHADHO COc1ccc2cc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)ccc2c1 ZINC000514088494 333273779 /nfs/dbraw/zinc/27/37/79/333273779.db2.gz LSSWIAPYEHPSDX-PWRODBHTSA-N 1 3 324.468 3.811 20 0 DHADHO COc1ccc2cc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)ccc2c1 ZINC000514088494 333273781 /nfs/dbraw/zinc/27/37/81/333273781.db2.gz LSSWIAPYEHPSDX-PWRODBHTSA-N 1 3 324.468 3.811 20 0 DHADHO Brc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1)CC2 ZINC000311727453 333388286 /nfs/dbraw/zinc/38/82/86/333388286.db2.gz NRDKSOACJMZHOL-INIZCTEOSA-N 1 3 323.278 3.512 20 0 DHADHO Oc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000563119692 333393149 /nfs/dbraw/zinc/39/31/49/333393149.db2.gz FLVHGFIRICJACL-IBGZPJMESA-N 1 3 322.452 3.679 20 0 DHADHO Oc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000563119692 333393151 /nfs/dbraw/zinc/39/31/51/333393151.db2.gz FLVHGFIRICJACL-IBGZPJMESA-N 1 3 322.452 3.679 20 0 DHADHO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000531699824 333547198 /nfs/dbraw/zinc/54/71/98/333547198.db2.gz KOSWCPQOEWEJQQ-NUJGCVRESA-N 1 3 304.478 3.856 20 0 DHADHO CC[NH+](CC)CCCC1CCN(CCc2cscn2)CC1 ZINC000450715591 333610029 /nfs/dbraw/zinc/61/00/29/333610029.db2.gz JFMFPCFHGNNCIQ-UHFFFAOYSA-N 1 3 309.523 3.520 20 0 DHADHO COCC1CCC([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000414315700 333938271 /nfs/dbraw/zinc/93/82/71/333938271.db2.gz SIQPOIXSRURHCR-NNZWXOEDSA-N 1 3 322.537 3.824 20 0 DHADHO CC(C)[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000414370543 333946643 /nfs/dbraw/zinc/94/66/43/333946643.db2.gz WVCXDAZVEZYBDN-PKOBYXMFSA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000414370541 333946646 /nfs/dbraw/zinc/94/66/46/333946646.db2.gz WVCXDAZVEZYBDN-IEBWSBKVSA-N 1 3 308.510 3.577 20 0 DHADHO CCSc1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000414647714 334054248 /nfs/dbraw/zinc/05/42/48/334054248.db2.gz ABRZLAFRJPLMCS-GOSISDBHSA-N 1 3 304.503 3.763 20 0 DHADHO C[C@@H]([NH3+])[C@H]1CCCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651336 334054987 /nfs/dbraw/zinc/05/49/87/334054987.db2.gz CBBWEHFIXLYFDH-NFAWXSAZSA-N 1 3 314.395 3.868 20 0 DHADHO C[C@@H](N)[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651336 334054988 /nfs/dbraw/zinc/05/49/88/334054988.db2.gz CBBWEHFIXLYFDH-NFAWXSAZSA-N 1 3 314.395 3.868 20 0 DHADHO C[C@@H](N)[C@H]1CCC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651336 334054989 /nfs/dbraw/zinc/05/49/89/334054989.db2.gz CBBWEHFIXLYFDH-NFAWXSAZSA-N 1 3 314.395 3.868 20 0 DHADHO C[NH2+]CC1CCN(Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000414680044 334067403 /nfs/dbraw/zinc/06/74/03/334067403.db2.gz XTHBMLHJXYGMRU-UHFFFAOYSA-N 1 3 324.468 3.794 20 0 DHADHO CCN(Cc1cccc(OC(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000414720191 334073725 /nfs/dbraw/zinc/07/37/25/334073725.db2.gz XLWKEJCILVFUFI-AWEZNQCLSA-N 1 3 316.367 3.549 20 0 DHADHO C[C@@H]1C[C@@H](CN2CCCC[C@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC000414755054 334085685 /nfs/dbraw/zinc/08/56/85/334085685.db2.gz OOQXVHDYDMWARC-GLJUWKHASA-N 1 3 308.416 3.880 20 0 DHADHO CCOc1c(Cl)cccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781487 334093563 /nfs/dbraw/zinc/09/35/63/334093563.db2.gz MZZGQXMCMVRMHE-CABCVRRESA-N 1 3 322.880 3.560 20 0 DHADHO Clc1cccc(-c2ccc(C[NH2+]C3CCNCC3)s2)c1 ZINC000414796484 334099975 /nfs/dbraw/zinc/09/99/75/334099975.db2.gz XVKYIXAKTHSOPD-UHFFFAOYSA-N 1 3 306.862 3.910 20 0 DHADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(OC(F)F)c(Cl)c1 ZINC000414807826 334104207 /nfs/dbraw/zinc/10/42/07/334104207.db2.gz ROQODUCLQGWHFE-DGCLKSJQSA-N 1 3 318.795 3.549 20 0 DHADHO Cc1ccc(-c2ncc(CN[C@@H]3CCCC[C@H]3C[NH3+])s2)cc1 ZINC000414811400 334105928 /nfs/dbraw/zinc/10/59/28/334105928.db2.gz WCJQNIROBOBGMI-DOTOQJQBSA-N 1 3 315.486 3.726 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414827796 334109774 /nfs/dbraw/zinc/10/97/74/334109774.db2.gz YKHPUMIBZVKTFZ-JHJVBQTASA-N 1 3 315.288 3.902 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414827796 334109775 /nfs/dbraw/zinc/10/97/75/334109775.db2.gz YKHPUMIBZVKTFZ-JHJVBQTASA-N 1 3 315.288 3.902 20 0 DHADHO Clc1ccc([C@@H]2CCC[C@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414840162 334112410 /nfs/dbraw/zinc/11/24/10/334112410.db2.gz XYUCCAKUDATMRD-VQTPCSAVSA-N 1 3 304.865 3.849 20 0 DHADHO C[C@H](NCc1cc(-c2ccccc2)cs1)[C@H]1CCC[NH2+]C1 ZINC000414853545 334127624 /nfs/dbraw/zinc/12/76/24/334127624.db2.gz KYKGGMKWVIOBCT-HOCLYGCPSA-N 1 3 300.471 3.893 20 0 DHADHO CC(C)(C)c1ccc(CNCCC[NH2+]Cc2cccnc2)cc1 ZINC000414873869 334144169 /nfs/dbraw/zinc/14/41/69/334144169.db2.gz HEZSFSWPYUWQRI-UHFFFAOYSA-N 1 3 311.473 3.649 20 0 DHADHO C[C@@H]1C[C@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)CCN1 ZINC000414927885 334190189 /nfs/dbraw/zinc/19/01/89/334190189.db2.gz AIPGOBUGOVYSSO-CZUORRHYSA-N 1 3 314.395 3.758 20 0 DHADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000293684548 334200831 /nfs/dbraw/zinc/20/08/31/334200831.db2.gz RQEMBXUKBFKWRB-RYRKJORJSA-N 1 3 316.489 3.566 20 0 DHADHO C[C@H]1CNCC[C@@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414943992 334203443 /nfs/dbraw/zinc/20/34/43/334203443.db2.gz OTOCQOMHOFHEQZ-AVRDEDQJSA-N 1 3 322.496 3.676 20 0 DHADHO Fc1cc(-c2ccncc2)ccc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414960987 334212391 /nfs/dbraw/zinc/21/23/91/334212391.db2.gz BBKQZUXJULJWPE-GOSISDBHSA-N 1 3 313.420 3.510 20 0 DHADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414967759 334215162 /nfs/dbraw/zinc/21/51/62/334215162.db2.gz HJUGJDLINASCLX-KRWDZBQOSA-N 1 3 300.471 3.893 20 0 DHADHO COc1c(Cl)cc(Cl)cc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414976833 334222774 /nfs/dbraw/zinc/22/27/74/334222774.db2.gz QKMSCQKFBOBXBW-ZDUSSCGKSA-N 1 3 317.260 3.624 20 0 DHADHO CC[C@H]([NH3+])CN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414986566 334228836 /nfs/dbraw/zinc/22/88/36/334228836.db2.gz IZSKANAAYSMGDG-KKUMJFAQSA-N 1 3 300.368 3.668 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414992000 334230746 /nfs/dbraw/zinc/23/07/46/334230746.db2.gz BKUYVSOMYPVIJF-HYEGPXJVSA-N 1 3 304.453 3.687 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000415019708 334259242 /nfs/dbraw/zinc/25/92/42/334259242.db2.gz SICQWFKVCKODHT-RYUDHWBXSA-N 1 3 306.356 3.582 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000415024465 334259629 /nfs/dbraw/zinc/25/96/29/334259629.db2.gz YRAPNCPJRCXBTQ-ICHOQEBTSA-N 1 3 310.441 3.604 20 0 DHADHO c1sc2ccccc2c1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415038515 334260692 /nfs/dbraw/zinc/26/06/92/334260692.db2.gz HWGWHJKRRAZSMD-YOEHRIQHSA-N 1 3 300.471 3.865 20 0 DHADHO [NH3+]CCC[C@H](NCc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000415047662 334261400 /nfs/dbraw/zinc/26/14/00/334261400.db2.gz FJVOHSHIJXWMEU-IBGZPJMESA-N 1 3 320.440 3.647 20 0 DHADHO [NH3+]CCC[C@@H](NCc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000415047663 334261484 /nfs/dbraw/zinc/26/14/84/334261484.db2.gz FJVOHSHIJXWMEU-LJQANCHMSA-N 1 3 320.440 3.647 20 0 DHADHO [NH3+]CCC[C@H](NCc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000415056298 334261642 /nfs/dbraw/zinc/26/16/42/334261642.db2.gz PUWFJPGQFQGHRV-INIZCTEOSA-N 1 3 308.347 3.674 20 0 DHADHO Cc1ccc2cc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)ccc2n1 ZINC000415060527 334262050 /nfs/dbraw/zinc/26/20/50/334262050.db2.gz YNPXCVBWLLYTPG-QUCCMNQESA-N 1 3 309.457 3.507 20 0 DHADHO CC1(C)Cc2cccc(CN[C@H](CCC[NH3+])c3ccccc3)c2O1 ZINC000415058173 334262104 /nfs/dbraw/zinc/26/21/04/334262104.db2.gz SXBPXTUHOGUUBQ-LJQANCHMSA-N 1 3 324.468 3.970 20 0 DHADHO C[C@@H](C[NH2+]CCCNC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000415067289 334262720 /nfs/dbraw/zinc/26/27/20/334262720.db2.gz KNDWCLUGWZWQTM-LBPRGKRZSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@@H](CNCCC[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000415067289 334262721 /nfs/dbraw/zinc/26/27/21/334262721.db2.gz KNDWCLUGWZWQTM-LBPRGKRZSA-N 1 3 300.368 3.541 20 0 DHADHO CC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1C ZINC000415077288 334268352 /nfs/dbraw/zinc/26/83/52/334268352.db2.gz HGTODWHNKIAKEL-NCXUSEDFSA-N 1 3 316.489 3.663 20 0 DHADHO COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)CN(C)C)CCCS2 ZINC000187672955 334268880 /nfs/dbraw/zinc/26/88/80/334268880.db2.gz HRLPBVPMUVUZDI-MRXNPFEDSA-N 1 3 322.518 3.800 20 0 DHADHO CC(C)COc1ccc(C(C)(C)C[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000415080925 334271262 /nfs/dbraw/zinc/27/12/62/334271262.db2.gz MJDOOLTTZMHPBB-QGZVFWFLSA-N 1 3 318.505 3.588 20 0 DHADHO CC(C)COc1ccc(C(C)(C)CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000415080925 334271263 /nfs/dbraw/zinc/27/12/63/334271263.db2.gz MJDOOLTTZMHPBB-QGZVFWFLSA-N 1 3 318.505 3.588 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000514096171 334332117 /nfs/dbraw/zinc/33/21/17/334332117.db2.gz URHKFNCQTQZNCK-FSPWUOQZSA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000514096171 334332119 /nfs/dbraw/zinc/33/21/19/334332119.db2.gz URHKFNCQTQZNCK-FSPWUOQZSA-N 1 3 308.416 3.502 20 0 DHADHO C[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1CCCC1 ZINC000342822093 334581072 /nfs/dbraw/zinc/58/10/72/334581072.db2.gz FQFCFAZUKDRXDF-MRXNPFEDSA-N 1 3 316.489 3.828 20 0 DHADHO CCCC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000343916529 335201913 /nfs/dbraw/zinc/20/19/13/335201913.db2.gz QZBVDNQHVVTLDB-HXUWFJFHSA-N 1 3 317.521 3.534 20 0 DHADHO CC[NH2+]CC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000347013352 335459539 /nfs/dbraw/zinc/45/95/39/335459539.db2.gz HZVWBXJCVCNYAC-UHFFFAOYSA-N 1 3 317.864 3.710 20 0 DHADHO C[C@H]([NH2+]CC1CC(C)(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000527349990 335831229 /nfs/dbraw/zinc/83/12/29/335831229.db2.gz YDIDHEXKLQCGJO-HNNXBMFYSA-N 1 3 304.478 3.714 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000352553647 336224335 /nfs/dbraw/zinc/22/43/35/336224335.db2.gz CUSGJNHAJVNPBQ-FCEWJHQRSA-N 1 3 322.468 3.756 20 0 DHADHO CC[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cn1 ZINC000352567236 336224954 /nfs/dbraw/zinc/22/49/54/336224954.db2.gz ILRVGQBASKKHBZ-DOTOQJQBSA-N 1 3 307.457 3.774 20 0 DHADHO CC[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)cn1 ZINC000352567236 336224955 /nfs/dbraw/zinc/22/49/55/336224955.db2.gz ILRVGQBASKKHBZ-DOTOQJQBSA-N 1 3 307.457 3.774 20 0 DHADHO CCc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000352744178 336234330 /nfs/dbraw/zinc/23/43/30/336234330.db2.gz YVNCNHJDEJRVTO-XLIONFOSSA-N 1 3 323.484 3.644 20 0 DHADHO CCC[C@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000532455425 336248279 /nfs/dbraw/zinc/24/82/79/336248279.db2.gz KZMAZZWOZLSZDF-IBGZPJMESA-N 1 3 317.521 3.675 20 0 DHADHO c1cc2c(cccc2CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000192932605 336285043 /nfs/dbraw/zinc/28/50/43/336285043.db2.gz KZKMNJVVKHCCRJ-SFHVURJKSA-N 1 3 319.452 3.780 20 0 DHADHO c1cc2c(cccc2CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000192932605 336285044 /nfs/dbraw/zinc/28/50/44/336285044.db2.gz KZKMNJVVKHCCRJ-SFHVURJKSA-N 1 3 319.452 3.780 20 0 DHADHO Cc1ccncc1[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000352964489 336379810 /nfs/dbraw/zinc/37/98/10/336379810.db2.gz BODXMDJPCJYMJX-HBFSDRIKSA-N 1 3 323.484 3.951 20 0 DHADHO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000314731972 336382379 /nfs/dbraw/zinc/38/23/79/336382379.db2.gz NFZPHTDNAQXXBV-SJORKVTESA-N 1 3 304.478 3.858 20 0 DHADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2ccco2)CC1 ZINC000106487021 336390131 /nfs/dbraw/zinc/39/01/31/336390131.db2.gz PHGLWFRTEPJUPR-UHFFFAOYSA-N 1 3 318.848 3.935 20 0 DHADHO C/C(=C/c1cccc(C(F)(F)F)c1)CNC1CC[NH+](C)CC1 ZINC000563998079 336394997 /nfs/dbraw/zinc/39/49/97/336394997.db2.gz QWHXUKFXOLBHDB-RAXLEYEMSA-N 1 3 312.379 3.793 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cccc(C)c1 ZINC000353502453 336421207 /nfs/dbraw/zinc/42/12/07/336421207.db2.gz LKLYDFXFWPWXJF-BJLQDIEVSA-N 1 3 318.505 3.925 20 0 DHADHO C[NH+]1CCC(C)(CNCc2cnc(-c3cccs3)s2)CC1 ZINC000355732541 336520402 /nfs/dbraw/zinc/52/04/02/336520402.db2.gz MJNPPCPEPHYVEF-UHFFFAOYSA-N 1 3 321.515 3.693 20 0 DHADHO C[NH+]1CCC(C)(CNCc2ncc(-c3ccccc3)s2)CC1 ZINC000355782967 336522026 /nfs/dbraw/zinc/52/20/26/336522026.db2.gz YCCYTYFWEMWEBN-UHFFFAOYSA-N 1 3 315.486 3.632 20 0 DHADHO C[N@H+](Cc1ccccc1)C1CCC(NCc2cscn2)CC1 ZINC000375896943 337022611 /nfs/dbraw/zinc/02/26/11/337022611.db2.gz BQXIQOBKDBTWSW-UHFFFAOYSA-N 1 3 315.486 3.676 20 0 DHADHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2cscn2)CC1 ZINC000375896943 337022612 /nfs/dbraw/zinc/02/26/12/337022612.db2.gz BQXIQOBKDBTWSW-UHFFFAOYSA-N 1 3 315.486 3.676 20 0 DHADHO CC(C)C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)CCO1 ZINC000378473150 337073774 /nfs/dbraw/zinc/07/37/74/337073774.db2.gz HWEKCXOFCWSGLS-PKOBYXMFSA-N 1 3 308.510 3.577 20 0 DHADHO CC[NH+](CC)CCC[C@@H](C)NCc1nc(-c2ccccc2)c[nH]1 ZINC000194216781 337082844 /nfs/dbraw/zinc/08/28/44/337082844.db2.gz KKUWAXCBEOCPOF-MRXNPFEDSA-N 1 3 314.477 3.677 20 0 DHADHO CC(C)Oc1ccc2ccccc2c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000582725966 337125852 /nfs/dbraw/zinc/12/58/52/337125852.db2.gz IGOMXFHQJQGOGO-ILZDJORESA-N 1 3 324.468 3.796 20 0 DHADHO Cc1nc(C)c([C@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000178098661 337160449 /nfs/dbraw/zinc/16/04/49/337160449.db2.gz LGVVTPJZPQOTLO-KBPBESRZSA-N 1 3 309.523 3.923 20 0 DHADHO Cc1nc(C)c([C@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000178098661 337160450 /nfs/dbraw/zinc/16/04/50/337160450.db2.gz LGVVTPJZPQOTLO-KBPBESRZSA-N 1 3 309.523 3.923 20 0 DHADHO FC(F)(F)SCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000178417381 337164576 /nfs/dbraw/zinc/16/45/76/337164576.db2.gz RXKHEQBELHASBR-UHFFFAOYSA-N 1 3 310.429 3.626 20 0 DHADHO c1cn(CCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc12 ZINC000321024685 337176054 /nfs/dbraw/zinc/17/60/54/337176054.db2.gz VNRQSODWNLNUPJ-GUDVDZBRSA-N 1 3 311.473 3.542 20 0 DHADHO CC[NH+]1CCC(CCN[C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182099777 337184523 /nfs/dbraw/zinc/18/45/23/337184523.db2.gz BXTZPELIPPMFTD-GOSISDBHSA-N 1 3 320.452 3.751 20 0 DHADHO FC(F)c1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000183926356 337195575 /nfs/dbraw/zinc/19/55/75/337195575.db2.gz VPMGOYLLKHOLHA-UHFFFAOYSA-N 1 3 308.416 3.932 20 0 DHADHO CCCN(Cc1cncc(C[N@H+](CCC)C2CC2)c1)C1CC1 ZINC000582826291 337206034 /nfs/dbraw/zinc/20/60/34/337206034.db2.gz FTHFAHVJTFDIEG-UHFFFAOYSA-N 1 3 301.478 3.830 20 0 DHADHO CCCN(Cc1cncc(C[N@@H+](CCC)C2CC2)c1)C1CC1 ZINC000582826291 337206035 /nfs/dbraw/zinc/20/60/35/337206035.db2.gz FTHFAHVJTFDIEG-UHFFFAOYSA-N 1 3 301.478 3.830 20 0 DHADHO COc1ccccc1[C@H](CNc1cc[nH+]cc1C)N1CCCC1 ZINC000195334325 337467750 /nfs/dbraw/zinc/46/77/50/337467750.db2.gz AWRYYUFKZUGFGQ-SFHVURJKSA-N 1 3 311.429 3.648 20 0 DHADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000420383724 337500357 /nfs/dbraw/zinc/50/03/57/337500357.db2.gz ZYCABXNQOBVEBJ-NXEZZACHSA-N 1 3 305.224 3.783 20 0 DHADHO C[NH+](C)C1CCC(NCc2csc(-c3cccs3)n2)CC1 ZINC000421373943 337528424 /nfs/dbraw/zinc/52/84/24/337528424.db2.gz OEIABXYZGYTSCU-UHFFFAOYSA-N 1 3 321.515 3.834 20 0 DHADHO Cc1ccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422700811 337683421 /nfs/dbraw/zinc/68/34/21/337683421.db2.gz CIZZSJNZVVOYSH-NBHGPNQESA-N 1 3 322.452 3.902 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000422710903 337683752 /nfs/dbraw/zinc/68/37/52/337683752.db2.gz LVXVREXGVZCXME-YSSFQJQWSA-N 1 3 309.457 3.836 20 0 DHADHO Fc1ccccc1CSCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422756825 337685273 /nfs/dbraw/zinc/68/52/73/337685273.db2.gz CLYLRFSQRWSHGW-CGTJXYLNSA-N 1 3 322.493 3.569 20 0 DHADHO Fc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CCCC2)cc1 ZINC000422792090 337686950 /nfs/dbraw/zinc/68/69/50/337686950.db2.gz WWDSHSQAVHCRJZ-ZZJWQFMZSA-N 1 3 302.437 3.930 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CCSc2ccccc21 ZINC000422853107 337689020 /nfs/dbraw/zinc/68/90/20/337689020.db2.gz BKFGNNLWYLUKFG-DYVFJYSZSA-N 1 3 313.470 3.736 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422888566 337690190 /nfs/dbraw/zinc/69/01/90/337690190.db2.gz NIHMPVAJKCSRNT-UXIGCNINSA-N 1 3 315.288 3.902 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422932638 337692237 /nfs/dbraw/zinc/69/22/37/337692237.db2.gz GEIQSDYCOSDYSS-WMLDXEAASA-N 1 3 310.869 3.606 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCc1cccc(Cl)c1 ZINC000422937931 337692578 /nfs/dbraw/zinc/69/25/78/337692578.db2.gz DIJAQRSTGQRECJ-CYBMUJFWSA-N 1 3 317.864 3.786 20 0 DHADHO COC[C@@H](CCC[NH3+])N[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000423029268 337696230 /nfs/dbraw/zinc/69/62/30/337696230.db2.gz HXPVOBKQQZSBPE-CJNGLKHVSA-N 1 3 316.848 3.520 20 0 DHADHO Fc1cccc([C@H]2C[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000423093130 337699083 /nfs/dbraw/zinc/69/90/83/337699083.db2.gz FWOUYTIMSLDEQD-RACLHMPKSA-N 1 3 316.464 3.972 20 0 DHADHO c1c2ccccc2sc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423138102 337701240 /nfs/dbraw/zinc/70/12/40/337701240.db2.gz SBSGBGWDKVKWFU-KZNAEPCWSA-N 1 3 314.498 3.954 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423140135 337701334 /nfs/dbraw/zinc/70/13/34/337701334.db2.gz XLUBMWHSSGOXAM-HRCADAONSA-N 1 3 314.395 3.830 20 0 DHADHO Clc1ccc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CCCNC3)C2)cc1 ZINC000423212721 337704560 /nfs/dbraw/zinc/70/45/60/337704560.db2.gz MEGVRDFAWPUVKL-QGPMSJSTSA-N 1 3 306.881 3.955 20 0 DHADHO CC[C@@H](NC[C@H](C)C[NH2+]C)c1ccc2cc(OC)ccc2c1 ZINC000423255780 337707686 /nfs/dbraw/zinc/70/76/86/337707686.db2.gz ATUBAKHZHBAXCV-AUUYWEPGSA-N 1 3 300.446 3.745 20 0 DHADHO C[C@H]([NH3+])c1ccc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000423296821 337710981 /nfs/dbraw/zinc/71/09/81/337710981.db2.gz ZXOWBJWAEHQFHQ-DJPFJPOOSA-N 1 3 324.468 3.964 20 0 DHADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423306828 337711319 /nfs/dbraw/zinc/71/13/19/337711319.db2.gz MBCBBHSZDFEVPX-OSAQELSMSA-N 1 3 300.368 3.526 20 0 DHADHO [NH3+]CCCCN[C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423323969 337711914 /nfs/dbraw/zinc/71/19/14/337711914.db2.gz JTQXLTOPDXJVJN-FQEVSTJZSA-N 1 3 323.415 3.792 20 0 DHADHO Clc1ccc2c(c1)OCCC[C@H]2N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423427061 337717087 /nfs/dbraw/zinc/71/70/87/337717087.db2.gz FOWIGBBJHWEDAR-GVDBMIGSSA-N 1 3 320.864 3.531 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000423395944 337718777 /nfs/dbraw/zinc/71/87/77/337718777.db2.gz SAXWEIIATMTQIG-OWCLPIDISA-N 1 3 323.278 3.760 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1CC1(C)C ZINC000423468977 337720969 /nfs/dbraw/zinc/72/09/69/337720969.db2.gz KCDWLEONPQHZKT-PLYYQAHHSA-N 1 3 304.453 3.543 20 0 DHADHO CCOc1ccc(Cl)cc1[C@@H](C)NCCC[C@H]1CCC[NH2+]1 ZINC000423478745 337721852 /nfs/dbraw/zinc/72/18/52/337721852.db2.gz LGEZALWKVGFHGP-HIFRSBDPSA-N 1 3 310.869 3.922 20 0 DHADHO Cc1nc2c(s1)[C@@H](N[C@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423494800 337722798 /nfs/dbraw/zinc/72/27/98/337722798.db2.gz BAKWNVFBMOMQSA-WBVHZDCISA-N 1 3 315.486 3.899 20 0 DHADHO COc1cc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)ccc1F ZINC000423494814 337722860 /nfs/dbraw/zinc/72/28/60/337722860.db2.gz BAUVUYRWCVVYKW-KSSFIOAISA-N 1 3 316.420 3.965 20 0 DHADHO C[C@@H](CCCC(F)(F)F)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423532796 337724576 /nfs/dbraw/zinc/72/45/76/337724576.db2.gz VVVCGLCMBPLDGE-MGWQBKBZSA-N 1 3 318.427 3.851 20 0 DHADHO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCNC1CC1 ZINC000423545033 337725283 /nfs/dbraw/zinc/72/52/83/337725283.db2.gz DNLWZCGYUMSWJW-HNNXBMFYSA-N 1 3 313.489 3.956 20 0 DHADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000536847267 337744016 /nfs/dbraw/zinc/74/40/16/337744016.db2.gz VJGWUYZLQJYKDA-NZSAHSFTSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000536847272 337744059 /nfs/dbraw/zinc/74/40/59/337744059.db2.gz VJGWUYZLQJYKDA-QRQLOZEOSA-N 1 3 320.521 3.721 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000515634048 337994073 /nfs/dbraw/zinc/99/40/73/337994073.db2.gz GXWMBKREYXQNAR-OAHLLOKOSA-N 1 3 311.473 3.865 20 0 DHADHO C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)CN(C)C ZINC000425939181 338019116 /nfs/dbraw/zinc/01/91/16/338019116.db2.gz SEOCWIYMNZXRHH-ZDEQEGDKSA-N 1 3 300.899 3.681 20 0 DHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC45CCCC5)[C@H]3C2)cc1 ZINC000429401693 338079768 /nfs/dbraw/zinc/07/97/68/338079768.db2.gz AZYDYBRSMGUIOA-LWYYNNOASA-N 1 3 310.485 3.819 20 0 DHADHO C[C@@H](CCSc1ccccc1)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429539949 338083495 /nfs/dbraw/zinc/08/34/95/338083495.db2.gz METQVIPCDOTZKX-IRXDYDNUSA-N 1 3 306.519 3.973 20 0 DHADHO C[C@@H](CCSc1ccccc1)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429539949 338083496 /nfs/dbraw/zinc/08/34/96/338083496.db2.gz METQVIPCDOTZKX-IRXDYDNUSA-N 1 3 306.519 3.973 20 0 DHADHO C[C@@H](CCSc1ccccc1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000429539949 338083497 /nfs/dbraw/zinc/08/34/97/338083497.db2.gz METQVIPCDOTZKX-IRXDYDNUSA-N 1 3 306.519 3.973 20 0 DHADHO CCC(CC)(CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)OC ZINC000430157969 338099496 /nfs/dbraw/zinc/09/94/96/338099496.db2.gz SJPJSRBDMJYVQP-FUHWJXTLSA-N 1 3 310.526 3.824 20 0 DHADHO CCC(CC)(C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1)OC ZINC000430157969 338099497 /nfs/dbraw/zinc/09/94/97/338099497.db2.gz SJPJSRBDMJYVQP-FUHWJXTLSA-N 1 3 310.526 3.824 20 0 DHADHO C[C@H](CCNCCSCc1ccccc1)[NH+]1CCCCC1 ZINC000430759851 338113899 /nfs/dbraw/zinc/11/38/99/338113899.db2.gz ZJLRADXDRSNWHV-QGZVFWFLSA-N 1 3 306.519 3.774 20 0 DHADHO C[C@H](CC[NH2+]CCSCc1ccccc1)N1CCCCC1 ZINC000430759851 338113900 /nfs/dbraw/zinc/11/39/00/338113900.db2.gz ZJLRADXDRSNWHV-QGZVFWFLSA-N 1 3 306.519 3.774 20 0 DHADHO CSc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432411544 338155220 /nfs/dbraw/zinc/15/52/20/338155220.db2.gz ZBKNKVQTQOXTJH-CVEARBPZSA-N 1 3 322.518 3.560 20 0 DHADHO CSc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432411544 338155221 /nfs/dbraw/zinc/15/52/21/338155221.db2.gz ZBKNKVQTQOXTJH-CVEARBPZSA-N 1 3 322.518 3.560 20 0 DHADHO CSc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432411545 338155263 /nfs/dbraw/zinc/15/52/63/338155263.db2.gz ZBKNKVQTQOXTJH-HOTGVXAUSA-N 1 3 322.518 3.560 20 0 DHADHO CSc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432411545 338155264 /nfs/dbraw/zinc/15/52/64/338155264.db2.gz ZBKNKVQTQOXTJH-HOTGVXAUSA-N 1 3 322.518 3.560 20 0 DHADHO c1ccc(CN(CC2CCCCC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435374416 338238202 /nfs/dbraw/zinc/23/82/02/338238202.db2.gz XFYWEGMZWQORAV-IBGZPJMESA-N 1 3 301.478 3.606 20 0 DHADHO CC(C)CN1CCC[C@@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000437772912 338320776 /nfs/dbraw/zinc/32/07/76/338320776.db2.gz IVFOABSUHKKYCW-IBGZPJMESA-N 1 3 318.505 3.803 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3c(cccc3F)[nH]2)C[C@H]1C ZINC000438104717 338331938 /nfs/dbraw/zinc/33/19/38/338331938.db2.gz YIEPUTNUKSZKIR-UKRRQHHQSA-N 1 3 303.425 3.612 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(cccc3F)[nH]2)C[C@H]1C ZINC000438104717 338331939 /nfs/dbraw/zinc/33/19/39/338331939.db2.gz YIEPUTNUKSZKIR-UKRRQHHQSA-N 1 3 303.425 3.612 20 0 DHADHO CC[C@@H](F)CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440785249 338397303 /nfs/dbraw/zinc/39/73/03/338397303.db2.gz KCTKQXAWLTZFLL-GOSISDBHSA-N 1 3 304.453 3.723 20 0 DHADHO CC[C@@H](F)CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000440785249 338397304 /nfs/dbraw/zinc/39/73/04/338397304.db2.gz KCTKQXAWLTZFLL-GOSISDBHSA-N 1 3 304.453 3.723 20 0 DHADHO CC[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccncc1 ZINC000453092336 338792803 /nfs/dbraw/zinc/79/28/03/338792803.db2.gz QIGJGOUAIOXXIR-HXUWFJFHSA-N 1 3 309.457 3.918 20 0 DHADHO CC(C)(C)c1ccc(OCCNC2CC[NH+](C3CC3)CC2)cc1 ZINC000459371758 339025432 /nfs/dbraw/zinc/02/54/32/339025432.db2.gz QGWHGACBJIEWKR-UHFFFAOYSA-N 1 3 316.489 3.579 20 0 DHADHO C[NH+](C)CCOc1cccc(CNCc2ccc(C3CC3)cc2)c1 ZINC000459385314 339026195 /nfs/dbraw/zinc/02/61/95/339026195.db2.gz GYLVTOHDPFITDR-UHFFFAOYSA-N 1 3 324.468 3.794 20 0 DHADHO CCCC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459409626 339027508 /nfs/dbraw/zinc/02/75/08/339027508.db2.gz RDTLIIQUULVOQU-QFBILLFUSA-N 1 3 301.478 3.999 20 0 DHADHO COC1CCC([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000459667628 339041836 /nfs/dbraw/zinc/04/18/36/339041836.db2.gz BGHMRFDYGLMLJQ-JVGQSUMCSA-N 1 3 308.510 3.577 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2cnc(C3CCCC3)s2)C1 ZINC000459723838 339044403 /nfs/dbraw/zinc/04/44/03/339044403.db2.gz DBAVNZVUICJZNS-AWEZNQCLSA-N 1 3 307.507 3.622 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2cnc(C3CCCC3)s2)C1 ZINC000459723838 339044404 /nfs/dbraw/zinc/04/44/04/339044404.db2.gz DBAVNZVUICJZNS-AWEZNQCLSA-N 1 3 307.507 3.622 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000459735872 339045172 /nfs/dbraw/zinc/04/51/72/339045172.db2.gz PWSZGCPIGRJLNH-LBPRGKRZSA-N 1 3 318.358 3.666 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000459735872 339045173 /nfs/dbraw/zinc/04/51/73/339045173.db2.gz PWSZGCPIGRJLNH-LBPRGKRZSA-N 1 3 318.358 3.666 20 0 DHADHO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCN(C)C)c2)C1 ZINC000462690145 339084337 /nfs/dbraw/zinc/08/43/37/339084337.db2.gz WUWVKKWDRNABRZ-SJLPKXTDSA-N 1 3 304.478 3.685 20 0 DHADHO CC[C@H]1CCC[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1 ZINC000462750872 339086842 /nfs/dbraw/zinc/08/68/42/339086842.db2.gz RQMRVIGLVYNHNO-HKUYNNGSSA-N 1 3 318.505 3.728 20 0 DHADHO C[C@H](CC(F)(F)F)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463278337 339112969 /nfs/dbraw/zinc/11/29/69/339112969.db2.gz VNVPCWWXUIFEQJ-YCPHGPKFSA-N 1 3 314.395 3.970 20 0 DHADHO C[C@H](CC(F)(F)F)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463278337 339112970 /nfs/dbraw/zinc/11/29/70/339112970.db2.gz VNVPCWWXUIFEQJ-YCPHGPKFSA-N 1 3 314.395 3.970 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000466344159 339199995 /nfs/dbraw/zinc/19/99/95/339199995.db2.gz ACVJWFBECYJVLQ-IYWMVGAKSA-N 1 3 322.537 3.539 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000467435342 339238485 /nfs/dbraw/zinc/23/84/85/339238485.db2.gz XVRKJWFJBTVJHC-XYJFISCASA-N 1 3 304.478 3.714 20 0 DHADHO C[C@H](CCC1CC1)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000469806765 339301455 /nfs/dbraw/zinc/30/14/55/339301455.db2.gz LEWNRQOBUJFWKU-HZPDHXFCSA-N 1 3 304.478 3.856 20 0 DHADHO Cc1ccc(-c2ccc(CN3CC[C@@H]([C@H](C)[NH3+])C3)s2)cc1 ZINC000469851843 339302564 /nfs/dbraw/zinc/30/25/64/339302564.db2.gz MOYMXJYNYNRIPE-GOEBONIOSA-N 1 3 300.471 3.893 20 0 DHADHO CCCCOc1ccccc1CN1CCC(CC[NH2+]C)CC1 ZINC000469851220 339302614 /nfs/dbraw/zinc/30/26/14/339302614.db2.gz HTZKOFMFIORHKU-UHFFFAOYSA-N 1 3 304.478 3.687 20 0 DHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4ccc(F)cc4)s3)C[C@@H]12 ZINC000469871376 339303357 /nfs/dbraw/zinc/30/33/57/339303357.db2.gz RUCOLJBCENEEPY-KBRIMQKVSA-N 1 3 316.445 3.723 20 0 DHADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000470000554 339307849 /nfs/dbraw/zinc/30/78/49/339307849.db2.gz SKNNCYFMXCAJAN-GOEBONIOSA-N 1 3 300.471 3.974 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OCC(C)C)[C@H](C)C1 ZINC000471238846 339340959 /nfs/dbraw/zinc/34/09/59/339340959.db2.gz MTYHPPDLVSWMJP-IEBWSBKVSA-N 1 3 318.505 3.884 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC(C)C)[C@H](C)C1 ZINC000471238846 339340960 /nfs/dbraw/zinc/34/09/60/339340960.db2.gz MTYHPPDLVSWMJP-IEBWSBKVSA-N 1 3 318.505 3.884 20 0 DHADHO CCC(O)(CC)CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000471782231 339353824 /nfs/dbraw/zinc/35/38/24/339353824.db2.gz RVNFPAQWCCRTIM-FUHWJXTLSA-N 1 3 310.526 3.560 20 0 DHADHO CCC(O)(CC)CC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000471782231 339353825 /nfs/dbraw/zinc/35/38/25/339353825.db2.gz RVNFPAQWCCRTIM-FUHWJXTLSA-N 1 3 310.526 3.560 20 0 DHADHO CC[NH+](CC)CCO[C@H]1CCN([C@H](C)c2cccc(Cl)c2)C1 ZINC000472267210 339368208 /nfs/dbraw/zinc/36/82/08/339368208.db2.gz CLVPEDWZYGIIEO-QAPCUYQASA-N 1 3 324.896 3.834 20 0 DHADHO C[C@H](CCc1ccccc1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472446660 339371973 /nfs/dbraw/zinc/37/19/73/339371973.db2.gz AMHFTTPTLWVJJA-YLJYHZDGSA-N 1 3 300.490 3.671 20 0 DHADHO C[C@H](CCc1ccccc1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472446660 339371974 /nfs/dbraw/zinc/37/19/74/339371974.db2.gz AMHFTTPTLWVJJA-YLJYHZDGSA-N 1 3 300.490 3.671 20 0 DHADHO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000472446660 339371975 /nfs/dbraw/zinc/37/19/75/339371975.db2.gz AMHFTTPTLWVJJA-YLJYHZDGSA-N 1 3 300.490 3.671 20 0 DHADHO C[C@H](CCc1ccccc1)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000472446660 339371976 /nfs/dbraw/zinc/37/19/76/339371976.db2.gz AMHFTTPTLWVJJA-YLJYHZDGSA-N 1 3 300.490 3.671 20 0 DHADHO CCN(CC)CCC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000472577224 339374201 /nfs/dbraw/zinc/37/42/01/339374201.db2.gz CDEJOWWRBPBGNH-KRWDZBQOSA-N 1 3 306.519 3.833 20 0 DHADHO CCN(CC)CCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000472577224 339374202 /nfs/dbraw/zinc/37/42/02/339374202.db2.gz CDEJOWWRBPBGNH-KRWDZBQOSA-N 1 3 306.519 3.833 20 0 DHADHO COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477943549 339505616 /nfs/dbraw/zinc/50/56/16/339505616.db2.gz VGLGPUCENHDMDR-KRWDZBQOSA-N 1 3 318.505 3.728 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000479870263 339551799 /nfs/dbraw/zinc/55/17/99/339551799.db2.gz CFWXJSOCNMCHED-TXPKVOOTSA-N 1 3 304.478 3.856 20 0 DHADHO COc1ccc([C@H](C)NCCCC[NH+]2CCC(C)CC2)c(F)c1 ZINC000480613560 339579757 /nfs/dbraw/zinc/57/97/57/339579757.db2.gz RMOYBKFXTUCMTQ-INIZCTEOSA-N 1 3 322.468 3.997 20 0 DHADHO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CC1=CCN(C)CC1 ZINC000500424241 340058084 /nfs/dbraw/zinc/05/80/84/340058084.db2.gz CRUGUAMVSCCXBX-KAMYIIQDSA-N 1 3 324.390 3.960 20 0 DHADHO C[NH+](C)CCCC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000501769235 340088202 /nfs/dbraw/zinc/08/82/02/340088202.db2.gz HARYMSPSTBCHNX-IBGZPJMESA-N 1 3 304.453 3.867 20 0 DHADHO CN(C)CCOc1ccccc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503015891 340118707 /nfs/dbraw/zinc/11/87/07/340118707.db2.gz QZUODZVNXWSMGV-WOJBJXKFSA-N 1 3 324.468 3.520 20 0 DHADHO CN(C)CCOc1cccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000503033664 340119277 /nfs/dbraw/zinc/11/92/77/340119277.db2.gz JCOGSDAZJVBMEQ-PZJWPPBQSA-N 1 3 324.468 3.520 20 0 DHADHO c1ccc(C(C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)c2ccccc2)cc1 ZINC000504263989 340143954 /nfs/dbraw/zinc/14/39/54/340143954.db2.gz GFDMERXBWWRTNF-PZJWPPBQSA-N 1 3 306.453 3.502 20 0 DHADHO c1ccc(C(C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)c2ccccc2)cc1 ZINC000504263989 340143955 /nfs/dbraw/zinc/14/39/55/340143955.db2.gz GFDMERXBWWRTNF-PZJWPPBQSA-N 1 3 306.453 3.502 20 0 DHADHO CC1CCN(CCC[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000510176244 340291563 /nfs/dbraw/zinc/29/15/63/340291563.db2.gz NIXKHZMTHLFXAX-DUXPYHPUSA-N 1 3 308.416 3.690 20 0 DHADHO CC[N@@H+]1CCC[C@H](CNC/C(C)=C/c2ccccc2COC)C1 ZINC000510345773 340296554 /nfs/dbraw/zinc/29/65/54/340296554.db2.gz HWYZTRJJYZMVLS-XCMFGDQWSA-N 1 3 316.489 3.558 20 0 DHADHO CC[N@H+]1CCC[C@H](CNC/C(C)=C/c2ccccc2COC)C1 ZINC000510345773 340296555 /nfs/dbraw/zinc/29/65/55/340296555.db2.gz HWYZTRJJYZMVLS-XCMFGDQWSA-N 1 3 316.489 3.558 20 0 DHADHO CCN1CCC[C@H](C[NH2+]C/C(C)=C/c2ccccc2COC)C1 ZINC000510345773 340296556 /nfs/dbraw/zinc/29/65/56/340296556.db2.gz HWYZTRJJYZMVLS-XCMFGDQWSA-N 1 3 316.489 3.558 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000510648051 340304932 /nfs/dbraw/zinc/30/49/32/340304932.db2.gz DIVJKGLONDHHMI-KFWWJZLASA-N 1 3 310.432 3.748 20 0 DHADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510675969 340306207 /nfs/dbraw/zinc/30/62/07/340306207.db2.gz RKRZUBQOTGMFRU-FUHWJXTLSA-N 1 3 322.468 3.635 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H](CO)CC2CCCC2)CC1 ZINC000511019454 340318452 /nfs/dbraw/zinc/31/84/52/340318452.db2.gz SNWABXILZKHFHZ-NSISKUIASA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H](CO)CC2CCCC2)CC1 ZINC000511019454 340318453 /nfs/dbraw/zinc/31/84/53/340318453.db2.gz SNWABXILZKHFHZ-NSISKUIASA-N 1 3 322.537 3.560 20 0 DHADHO C[NH+](C)CCC1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000511508872 340329130 /nfs/dbraw/zinc/32/91/30/340329130.db2.gz QPNUPTQXRLTACA-UHFFFAOYSA-N 1 3 316.489 3.564 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512101472 340348601 /nfs/dbraw/zinc/34/86/01/340348601.db2.gz YXSODVPXTVVSMG-PLNGDYQASA-N 1 3 308.416 3.831 20 0 DHADHO C[NH+](C)Cc1cccc(CNC/C=C/c2ccc(F)c(F)c2)c1 ZINC000512134203 340349620 /nfs/dbraw/zinc/34/96/20/340349620.db2.gz YNNIUQZRPRFIGL-QPJJXVBHSA-N 1 3 316.395 3.829 20 0 DHADHO CN(CCCOc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512556916 340366746 /nfs/dbraw/zinc/36/67/46/340366746.db2.gz INZNBMXQDJGKDI-SJPCQFCGSA-N 1 3 322.880 3.666 20 0 DHADHO CN(CCCOc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512556916 340366747 /nfs/dbraw/zinc/36/67/47/340366747.db2.gz INZNBMXQDJGKDI-SJPCQFCGSA-N 1 3 322.880 3.666 20 0 DHADHO CS[C@H](C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512630518 340369949 /nfs/dbraw/zinc/36/99/49/340369949.db2.gz MZJWCZUYWCDCQK-QXCFHYIPSA-N 1 3 318.530 3.628 20 0 DHADHO c1coc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000512652784 340371184 /nfs/dbraw/zinc/37/11/84/340371184.db2.gz BMBHMCCCYAXUSI-CEWLAPEOSA-N 1 3 324.468 3.712 20 0 DHADHO c1coc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512652784 340371185 /nfs/dbraw/zinc/37/11/85/340371185.db2.gz BMBHMCCCYAXUSI-CEWLAPEOSA-N 1 3 324.468 3.712 20 0 DHADHO c1coc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512652784 340371186 /nfs/dbraw/zinc/37/11/86/340371186.db2.gz BMBHMCCCYAXUSI-CEWLAPEOSA-N 1 3 324.468 3.712 20 0 DHADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCC(F)(F)F)CC2)C1 ZINC000513030736 340389576 /nfs/dbraw/zinc/38/95/76/340389576.db2.gz VCXBZHKZYXNXGX-DZGCQCFKSA-N 1 3 306.416 3.962 20 0 DHADHO C[C@H](Cc1ccncc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000513040705 340390322 /nfs/dbraw/zinc/39/03/22/340390322.db2.gz HRZVANBCTDRNQP-SQGPQFPESA-N 1 3 315.505 3.645 20 0 DHADHO C[C@H](Cc1ccncc1)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000513040705 340390323 /nfs/dbraw/zinc/39/03/23/340390323.db2.gz HRZVANBCTDRNQP-SQGPQFPESA-N 1 3 315.505 3.645 20 0 DHADHO CC(C)CC[C@](C)(O)CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000513234310 340398695 /nfs/dbraw/zinc/39/86/95/340398695.db2.gz VORVUWHSSRMIQH-IHPCNDPISA-N 1 3 324.553 3.806 20 0 DHADHO CC(C)CC[C@](C)(O)C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000513234310 340398696 /nfs/dbraw/zinc/39/86/96/340398696.db2.gz VORVUWHSSRMIQH-IHPCNDPISA-N 1 3 324.553 3.806 20 0 DHADHO C[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)CN1CCCC1 ZINC000186595078 340514678 /nfs/dbraw/zinc/51/46/78/340514678.db2.gz PLBWFHCJILDNFG-NFOMZHRRSA-N 1 3 306.416 3.677 20 0 DHADHO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000539071937 340870441 /nfs/dbraw/zinc/87/04/41/340870441.db2.gz FWPQEHHLDKFDHL-NCXUSEDFSA-N 1 3 310.526 3.680 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)C1 ZINC000542847622 341023377 /nfs/dbraw/zinc/02/33/77/341023377.db2.gz UJMURFUYJLZDJG-RDTXWAMCSA-N 1 3 310.432 3.983 20 0 DHADHO CC[C@@H](NCC1(C[NH2+][C@@H](CC)C(C)(C)C)COC1)C(C)(C)C ZINC000542967470 341027399 /nfs/dbraw/zinc/02/73/99/341027399.db2.gz MSCYCBWJTWOYHW-IYBDPMFKSA-N 1 3 312.542 3.832 20 0 DHADHO CC[C@@H]([NH2+]CC1(CN[C@@H](CC)C(C)(C)C)COC1)C(C)(C)C ZINC000542967470 341027400 /nfs/dbraw/zinc/02/74/00/341027400.db2.gz MSCYCBWJTWOYHW-IYBDPMFKSA-N 1 3 312.542 3.832 20 0 DHADHO C[NH+](C)CCC1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000543140707 341033847 /nfs/dbraw/zinc/03/38/47/341033847.db2.gz RLLGYUDPBUQOGF-SFHVURJKSA-N 1 3 306.881 3.991 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@H]3CCO[C@@H](C)C3)CC2)C1 ZINC000543410027 341042691 /nfs/dbraw/zinc/04/26/91/341042691.db2.gz IPBOXMJCERPXKC-LXZJYRNTSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@@H]3CCO[C@H](C)C3)CC2)C1 ZINC000543410029 341042700 /nfs/dbraw/zinc/04/27/00/341042700.db2.gz IPBOXMJCERPXKC-MLYOOKFZSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H](CC1CCCCC1)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000544610995 341088955 /nfs/dbraw/zinc/08/89/55/341088955.db2.gz IMVNVEMVWGLPQN-GSEOLPGOSA-N 1 3 322.537 3.776 20 0 DHADHO COc1ccc([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)cc1F ZINC000544896245 341098110 /nfs/dbraw/zinc/09/81/10/341098110.db2.gz RFUHQLVEDAPPLX-AWEZNQCLSA-N 1 3 308.441 3.607 20 0 DHADHO Cc1ccc2[nH+]ccc(N[C@H]3CN(C)Cc4ccccc43)c2c1 ZINC000546173603 341156049 /nfs/dbraw/zinc/15/60/49/341156049.db2.gz XXTXBOHXGJBNQV-FQEVSTJZSA-N 1 3 303.409 3.564 20 0 DHADHO Cc1ccc2[nH+]ccc(NC[C@@H](c3ccsc3)N(C)C)c2c1 ZINC000546898980 341186054 /nfs/dbraw/zinc/18/60/54/341186054.db2.gz OLIBGYDNLLYEFS-SFHVURJKSA-N 1 3 311.454 3.741 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2ccccc2OC)CC1 ZINC000134168570 341208262 /nfs/dbraw/zinc/20/82/62/341208262.db2.gz FAEBRYPHPVIBNN-UHFFFAOYSA-N 1 3 304.478 3.639 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccccc2OC)CC1 ZINC000134168570 341208263 /nfs/dbraw/zinc/20/82/63/341208263.db2.gz FAEBRYPHPVIBNN-UHFFFAOYSA-N 1 3 304.478 3.639 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCCC23CCCC3)cc1 ZINC000550622209 341319876 /nfs/dbraw/zinc/31/98/76/341319876.db2.gz JISGEKLFWCPWEA-IBGZPJMESA-N 1 3 316.489 3.830 20 0 DHADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(C)c1 ZINC000551084232 341331009 /nfs/dbraw/zinc/33/10/09/341331009.db2.gz TXYPAICHTHGXRE-CTNGQTDRSA-N 1 3 324.468 3.929 20 0 DHADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(C)c1 ZINC000551084232 341331010 /nfs/dbraw/zinc/33/10/10/341331010.db2.gz TXYPAICHTHGXRE-CTNGQTDRSA-N 1 3 324.468 3.929 20 0 DHADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000246352052 341343864 /nfs/dbraw/zinc/34/38/64/341343864.db2.gz HUPLSCFXFMUOPB-MNZLEMJZSA-N 1 3 301.478 3.712 20 0 DHADHO CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1Cl ZINC000551563257 341345683 /nfs/dbraw/zinc/34/56/83/341345683.db2.gz DVEKEISBERUSFH-DVOMOZLQSA-N 1 3 310.869 3.557 20 0 DHADHO CC(C)CSCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246508115 341351176 /nfs/dbraw/zinc/35/11/76/341351176.db2.gz BNMHUOMQYROQBO-WMZOPIPTSA-N 1 3 310.551 3.714 20 0 DHADHO CC(C)CSCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246508115 341351177 /nfs/dbraw/zinc/35/11/77/341351177.db2.gz BNMHUOMQYROQBO-WMZOPIPTSA-N 1 3 310.551 3.714 20 0 DHADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CCC)C2)cc1 ZINC000246840094 341357724 /nfs/dbraw/zinc/35/77/24/341357724.db2.gz CCSVKOXLJFCIJY-IAGOWNOFSA-N 1 3 304.478 3.858 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1F ZINC000246956891 341359104 /nfs/dbraw/zinc/35/91/04/341359104.db2.gz IQBIENKKSZQWOP-CABCVRRESA-N 1 3 308.441 3.605 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246980450 341359440 /nfs/dbraw/zinc/35/94/40/341359440.db2.gz QUVSMOSOJLMMPC-KFWWJZLASA-N 1 3 306.416 3.962 20 0 DHADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCC2(CCCO2)CC1 ZINC000564388637 341375910 /nfs/dbraw/zinc/37/59/10/341375910.db2.gz BJBHQJJXOAKZJM-SOAISFHBSA-N 1 3 322.537 3.968 20 0 DHADHO Cc1c([C@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)cnn1C(C)C ZINC000248699408 341384495 /nfs/dbraw/zinc/38/44/95/341384495.db2.gz MJDYERNNKLMZLF-SJORKVTESA-N 1 3 320.525 3.935 20 0 DHADHO Cc1c([C@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)cnn1C(C)C ZINC000248699408 341384496 /nfs/dbraw/zinc/38/44/96/341384496.db2.gz MJDYERNNKLMZLF-SJORKVTESA-N 1 3 320.525 3.935 20 0 DHADHO CCCC[C@H](CC)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000248852348 341388534 /nfs/dbraw/zinc/38/85/34/341388534.db2.gz BLGKXPLVEFDSEN-AQNXPRMDSA-N 1 3 323.569 3.693 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCC3(CCCCC3)O2)[C@H](C)C1 ZINC000248887270 341389477 /nfs/dbraw/zinc/38/94/77/341389477.db2.gz YAJYHJHOCPPNOF-KURKYZTESA-N 1 3 308.510 3.530 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CCC3(CCCCC3)O2)[C@H](C)C1 ZINC000248887270 341389478 /nfs/dbraw/zinc/38/94/78/341389478.db2.gz YAJYHJHOCPPNOF-KURKYZTESA-N 1 3 308.510 3.530 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)cc1 ZINC000554050302 341441850 /nfs/dbraw/zinc/44/18/50/341441850.db2.gz IGMVAXDVNNRVNA-ZWKOTPCHSA-N 1 3 304.478 3.541 20 0 DHADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1sccc1Br ZINC000568856693 341683449 /nfs/dbraw/zinc/68/34/49/341683449.db2.gz TVBRXFNMMFYUDK-UWVGGRQHSA-N 1 3 305.285 3.679 20 0 DHADHO CC(C)SCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000338277443 519787499 /nfs/dbraw/zinc/78/74/99/519787499.db2.gz FIJCASOYYNZSAT-UHFFFAOYSA-N 1 3 321.534 3.762 20 0 DHADHO CC(C)SCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000338277443 519787500 /nfs/dbraw/zinc/78/75/00/519787500.db2.gz FIJCASOYYNZSAT-UHFFFAOYSA-N 1 3 321.534 3.762 20 0 DHADHO CC(C)n1cc([C@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000157950016 519978673 /nfs/dbraw/zinc/97/86/73/519978673.db2.gz FGKHBNXFKHASTA-IRXDYDNUSA-N 1 3 306.498 3.627 20 0 DHADHO CC(C)n1cc([C@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000157950016 519978678 /nfs/dbraw/zinc/97/86/78/519978678.db2.gz FGKHBNXFKHASTA-IRXDYDNUSA-N 1 3 306.498 3.627 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(SC(F)F)cc2)C1 ZINC000163302860 521710332 /nfs/dbraw/zinc/71/03/32/521710332.db2.gz QREQZBBBEZEYIW-STQMWFEESA-N 1 3 314.445 3.994 20 0 DHADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000337340902 521905779 /nfs/dbraw/zinc/90/57/79/521905779.db2.gz PUBGZRVOEBSRCO-PZJWPPBQSA-N 1 3 323.484 3.959 20 0 DHADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000129223298 521924607 /nfs/dbraw/zinc/92/46/07/521924607.db2.gz OSSFXGDTPVWWAF-HZPDHXFCSA-N 1 3 314.395 3.959 20 0 DHADHO CC[C@H](NCc1ccc(C[NH+](CC)CC)cc1)c1cnn(C)c1 ZINC000163560499 522645196 /nfs/dbraw/zinc/64/51/96/522645196.db2.gz VVFFXQLQHNQWHM-IBGZPJMESA-N 1 3 314.477 3.503 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCc2ccccn2)CC1 ZINC000158998627 524098925 /nfs/dbraw/zinc/09/89/25/524098925.db2.gz VTGWKLATIQNVTR-GOSISDBHSA-N 1 3 315.505 3.601 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCc2ccccn2)CC1 ZINC000158998627 524098936 /nfs/dbraw/zinc/09/89/36/524098936.db2.gz VTGWKLATIQNVTR-GOSISDBHSA-N 1 3 315.505 3.601 20 0 DHADHO C[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)c1cccnc1 ZINC000112537943 525325724 /nfs/dbraw/zinc/32/57/24/525325724.db2.gz WORNUKUWVVEVTF-HNNXBMFYSA-N 1 3 315.486 3.706 20 0 DHADHO C[C@H](NCCCC[NH+](C)C)c1ccc(Br)cc1F ZINC000127090004 525333900 /nfs/dbraw/zinc/33/39/00/525333900.db2.gz MCSMVUWIUWVWKU-NSHDSACASA-N 1 3 317.246 3.581 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000129487872 525566841 /nfs/dbraw/zinc/56/68/41/525566841.db2.gz GYHVHUZPSYXEEJ-TYNCELHUSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000129487872 525566844 /nfs/dbraw/zinc/56/68/44/525566844.db2.gz GYHVHUZPSYXEEJ-TYNCELHUSA-N 1 3 300.368 3.839 20 0 DHADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1nc2ccccc2n1C ZINC000119957549 535521969 /nfs/dbraw/zinc/52/19/69/535521969.db2.gz CUTBYXBJHYQNGX-CVEARBPZSA-N 1 3 316.493 3.734 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)CN(C)C ZINC000293634816 1013105417 /nfs/dbraw/zinc/10/54/17/1013105417.db2.gz KKZFOBQPDKHFHO-RDBSUJKOSA-N 1 3 305.491 3.576 20 0 DHADHO C[C@H](CN[C@@H](C)[C@H](C)c1nc2ccccc2s1)C[NH+](C)C ZINC000293634816 1013105418 /nfs/dbraw/zinc/10/54/18/1013105418.db2.gz KKZFOBQPDKHFHO-RDBSUJKOSA-N 1 3 305.491 3.576 20 0 DHADHO COc1cccc(CNCCCCC[NH+]2CCCCC2)c1F ZINC000192683041 1013289280 /nfs/dbraw/zinc/28/92/80/1013289280.db2.gz FYKUVJNXHUJHFO-UHFFFAOYSA-N 1 3 308.441 3.580 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cc2ccnc(Cl)c2s1 ZINC000894782596 1013489346 /nfs/dbraw/zinc/48/93/46/1013489346.db2.gz MGIHXSHMNQKTPF-FZMZJTMJSA-N 1 3 323.893 3.722 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc2ccnc(Cl)c2s1 ZINC000894782596 1013489351 /nfs/dbraw/zinc/48/93/51/1013489351.db2.gz MGIHXSHMNQKTPF-FZMZJTMJSA-N 1 3 323.893 3.722 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccsc2C(F)(F)F)[C@@H](C)C1 ZINC000628219626 1020046071 /nfs/dbraw/zinc/04/60/71/1020046071.db2.gz SCTHELCBEWNXJT-JQWIXIFHSA-N 1 3 306.397 3.587 20 0 DHADHO C[C@H](c1cccc(Br)c1)N1CCC[C@H](CC[NH3+])C1 ZINC000070169473 1013883928 /nfs/dbraw/zinc/88/39/28/1013883928.db2.gz YTJFZQUQWXIAOQ-CHWSQXEVSA-N 1 3 311.267 3.571 20 0 DHADHO F[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000340525589 1013916678 /nfs/dbraw/zinc/91/66/78/1013916678.db2.gz WRZVNFWMQGANOV-TZOQOTQKSA-N 1 3 302.437 3.662 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2ccc3cnccc3c2)c1 ZINC000683768685 1013977984 /nfs/dbraw/zinc/97/79/84/1013977984.db2.gz IXSZWRSZZRBQEA-UHFFFAOYSA-N 1 3 319.452 3.976 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc3cnccc3c2)c1 ZINC000683768685 1013977987 /nfs/dbraw/zinc/97/79/87/1013977987.db2.gz IXSZWRSZZRBQEA-UHFFFAOYSA-N 1 3 319.452 3.976 20 0 DHADHO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000665234508 1014506111 /nfs/dbraw/zinc/50/61/11/1014506111.db2.gz DZVKPBWAAQAVDO-SUMWQHHRSA-N 1 3 315.436 3.660 20 0 DHADHO Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000665235742 1014508556 /nfs/dbraw/zinc/50/85/56/1014508556.db2.gz ZEJFJATUAIXEGC-UONOGXRCSA-N 1 3 315.436 3.578 20 0 DHADHO C[C@@H]1CC(NCCc2ccco2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168010493 1014528565 /nfs/dbraw/zinc/52/85/65/1014528565.db2.gz JSPXVTBUSKXMCN-IAGOWNOFSA-N 1 3 312.457 3.853 20 0 DHADHO Cc1cc(C)cc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665246087 1014533110 /nfs/dbraw/zinc/53/31/10/1014533110.db2.gz YSSXSCGNOZJAMA-CTNGQTDRSA-N 1 3 322.452 3.649 20 0 DHADHO COc1cccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000065976611 1014614669 /nfs/dbraw/zinc/61/46/69/1014614669.db2.gz YQQWDFGEWYQTGZ-UHFFFAOYSA-N 1 3 312.457 3.825 20 0 DHADHO COc1cccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000065976611 1014614675 /nfs/dbraw/zinc/61/46/75/1014614675.db2.gz YQQWDFGEWYQTGZ-UHFFFAOYSA-N 1 3 312.457 3.825 20 0 DHADHO C[C@H](NC(CCC(F)(F)F)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000665272911 1014629484 /nfs/dbraw/zinc/62/94/84/1014629484.db2.gz NHGSZIXITKVBRP-ONGXEEELSA-N 1 3 320.321 3.770 20 0 DHADHO COc1ccc2cc([C@H](C)NCC[C@@H]([NH3+])C(C)C)ccc2c1 ZINC000665279389 1014662292 /nfs/dbraw/zinc/66/22/92/1014662292.db2.gz BNLNRLLJWQZZGE-IFXJQAMLSA-N 1 3 300.446 3.872 20 0 DHADHO Cc1cc(OCCC[C@H](C)[NH2+]CC23CC(C2)CN3)ccc1Cl ZINC000665279380 1014662829 /nfs/dbraw/zinc/66/28/29/1014662829.db2.gz BHLMLGJIXMAKNQ-SYJJWHGVSA-N 1 3 322.880 3.538 20 0 DHADHO Clc1ccc([C@@H]2CCC[C@@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000665280007 1014669411 /nfs/dbraw/zinc/66/94/11/1014669411.db2.gz RAKWBXJNIHRCTA-LFAQLLQBSA-N 1 3 304.865 3.708 20 0 DHADHO CC[N@H+](CCCN1CCCC1)Cc1ccc2nc(C)sc2c1 ZINC000349381618 1014691141 /nfs/dbraw/zinc/69/11/41/1014691141.db2.gz HRQWXNXHGHFCML-UHFFFAOYSA-N 1 3 317.502 3.913 20 0 DHADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc2nc(C)sc2c1 ZINC000349381618 1014691144 /nfs/dbraw/zinc/69/11/44/1014691144.db2.gz HRQWXNXHGHFCML-UHFFFAOYSA-N 1 3 317.502 3.913 20 0 DHADHO CC(C)[N@H+](C)C[C@H](O)CN(CC1CCC1)[C@@H](C)c1ccccc1 ZINC001167454420 1014705589 /nfs/dbraw/zinc/70/55/89/1014705589.db2.gz WABPZEZMJWQVOO-PXNSSMCTSA-N 1 3 318.505 3.551 20 0 DHADHO CC(C)[N@@H+](C)C[C@H](O)CN(CC1CCC1)[C@@H](C)c1ccccc1 ZINC001167454420 1014705594 /nfs/dbraw/zinc/70/55/94/1014705594.db2.gz WABPZEZMJWQVOO-PXNSSMCTSA-N 1 3 318.505 3.551 20 0 DHADHO CC(C)[N@H+](C)C[C@H](O)CN(CC1CCC1)[C@H](C)c1ccccc1 ZINC001167454421 1014704122 /nfs/dbraw/zinc/70/41/22/1014704122.db2.gz WABPZEZMJWQVOO-XLIONFOSSA-N 1 3 318.505 3.551 20 0 DHADHO CC(C)[N@@H+](C)C[C@H](O)CN(CC1CCC1)[C@H](C)c1ccccc1 ZINC001167454421 1014704132 /nfs/dbraw/zinc/70/41/32/1014704132.db2.gz WABPZEZMJWQVOO-XLIONFOSSA-N 1 3 318.505 3.551 20 0 DHADHO CC(C)CN1CCC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442830323 1014745275 /nfs/dbraw/zinc/74/52/75/1014745275.db2.gz YEAFAOBWZZTHIC-FHERZECASA-N 1 3 302.453 3.768 20 0 DHADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000166398943 1014984388 /nfs/dbraw/zinc/98/43/88/1014984388.db2.gz YSNQZHJUHZCYJV-INWMFGNUSA-N 1 3 312.404 3.811 20 0 DHADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000166398943 1014984395 /nfs/dbraw/zinc/98/43/95/1014984395.db2.gz YSNQZHJUHZCYJV-INWMFGNUSA-N 1 3 312.404 3.811 20 0 DHADHO CC(C)[C@H](CN1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000474106218 1015025673 /nfs/dbraw/zinc/02/56/73/1015025673.db2.gz MVSNGLKBEHBKOB-FQEVSTJZSA-N 1 3 300.490 3.986 20 0 DHADHO c1ccc2c(c1)CC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656682581 1015063707 /nfs/dbraw/zinc/06/37/07/1015063707.db2.gz DPAYMVVLHZAVRM-OAQYLSRUSA-N 1 3 321.468 3.571 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(OC(F)(F)F)cc1 ZINC000182521479 1015201194 /nfs/dbraw/zinc/20/11/94/1015201194.db2.gz HSRWROAHOGTSLG-GXTWGEPZSA-N 1 3 316.367 3.720 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(OC(F)(F)F)cc1 ZINC000182521440 1015206935 /nfs/dbraw/zinc/20/69/35/1015206935.db2.gz HSRWROAHOGTSLG-JSGCOSHPSA-N 1 3 316.367 3.720 20 0 DHADHO CC(C)[C@H](C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000474404904 1015331599 /nfs/dbraw/zinc/33/15/99/1015331599.db2.gz ZNPGLYGRIQFNCI-AABGKKOBSA-N 1 3 300.490 3.842 20 0 DHADHO CC(C)[C@H](C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000474404904 1015331610 /nfs/dbraw/zinc/33/16/10/1015331610.db2.gz ZNPGLYGRIQFNCI-AABGKKOBSA-N 1 3 300.490 3.842 20 0 DHADHO CC(C)[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000474404907 1015331993 /nfs/dbraw/zinc/33/19/93/1015331993.db2.gz ZNPGLYGRIQFNCI-UFYCRDLUSA-N 1 3 300.490 3.842 20 0 DHADHO CC(C)[C@H](C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000474404907 1015332000 /nfs/dbraw/zinc/33/20/00/1015332000.db2.gz ZNPGLYGRIQFNCI-UFYCRDLUSA-N 1 3 300.490 3.842 20 0 DHADHO CN1CCC[C@H](C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000115617435 1015349716 /nfs/dbraw/zinc/34/97/16/1015349716.db2.gz NCCNZQULJVUWBO-CYBMUJFWSA-N 1 3 320.383 3.656 20 0 DHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)CC(C)(C)C[NH3+] ZINC000093861152 1015411078 /nfs/dbraw/zinc/41/10/78/1015411078.db2.gz OGHHWYPIQNXXDW-LLVKDONJSA-N 1 3 304.356 3.563 20 0 DHADHO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000474594408 1015475279 /nfs/dbraw/zinc/47/52/79/1015475279.db2.gz AOMGDTIQGMPTDX-FCGDIQPGSA-N 1 3 310.526 3.680 20 0 DHADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000474818117 1015618561 /nfs/dbraw/zinc/61/85/61/1015618561.db2.gz PZBPPNVKHHYUQU-LPHOPBHVSA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)N1CCN(C2CC[NH+](C[C@H](C)CC(C)(C)C)CC2)CC1 ZINC000878321178 1033658522 /nfs/dbraw/zinc/65/85/22/1033658522.db2.gz CFWJCXIAWUATMF-GOSISDBHSA-N 1 3 323.569 3.549 20 0 DHADHO Cc1ccccc1C1(NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000647224346 1015784445 /nfs/dbraw/zinc/78/44/45/1015784445.db2.gz CJAGLEJOKXVWDP-UHFFFAOYSA-N 1 3 324.468 3.714 20 0 DHADHO CCOc1ccccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535815268 1015834329 /nfs/dbraw/zinc/83/43/29/1015834329.db2.gz XSVFZADWSHNNHK-UHFFFAOYSA-N 1 3 304.478 3.638 20 0 DHADHO CCOc1ccccc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535815268 1015834335 /nfs/dbraw/zinc/83/43/35/1015834335.db2.gz XSVFZADWSHNNHK-UHFFFAOYSA-N 1 3 304.478 3.638 20 0 DHADHO C[NH+](C)CCC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000056524190 1016320128 /nfs/dbraw/zinc/32/01/28/1016320128.db2.gz VROAWYUORWAZJF-UHFFFAOYSA-N 1 3 314.395 3.869 20 0 DHADHO CCOc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)c(C)c1 ZINC000657334025 1016360116 /nfs/dbraw/zinc/36/01/16/1016360116.db2.gz IZKDOYJDBNSLEP-UHFFFAOYSA-N 1 3 302.462 3.500 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2cc(COC)cs2)c1 ZINC000657347572 1016399593 /nfs/dbraw/zinc/39/95/93/1016399593.db2.gz BWZWNKADTNPYRF-UHFFFAOYSA-N 1 3 318.486 3.636 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2cc(COC)cs2)c1 ZINC000657347572 1016399602 /nfs/dbraw/zinc/39/96/02/1016399602.db2.gz BWZWNKADTNPYRF-UHFFFAOYSA-N 1 3 318.486 3.636 20 0 DHADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(-c4ccccc4F)o3)C[C@H]21 ZINC000346819734 1016565602 /nfs/dbraw/zinc/56/56/02/1016565602.db2.gz DYRQAHVAQHWULD-FDQGKXFDSA-N 1 3 314.404 3.645 20 0 DHADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000339068215 1016789433 /nfs/dbraw/zinc/78/94/33/1016789433.db2.gz MRWHOCCYYCXNNG-IJXRJRJASA-N 1 3 316.489 3.617 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000339068215 1016789447 /nfs/dbraw/zinc/78/94/47/1016789447.db2.gz MRWHOCCYYCXNNG-IJXRJRJASA-N 1 3 316.489 3.617 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@@H](CCCOC)c2ccc(F)cc2)C1 ZINC000281954428 1016829757 /nfs/dbraw/zinc/82/97/57/1016829757.db2.gz MHGFXGUNECBGKW-APWZRJJASA-N 1 3 322.468 3.615 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@@H](CCCOC)c2ccc(F)cc2)C1 ZINC000281954428 1016829773 /nfs/dbraw/zinc/82/97/73/1016829773.db2.gz MHGFXGUNECBGKW-APWZRJJASA-N 1 3 322.468 3.615 20 0 DHADHO Cc1cc2[nH]c(CN3CCCC34CC[NH+](C)CC4)cc2c(C)c1 ZINC000475121352 1016975314 /nfs/dbraw/zinc/97/53/14/1016975314.db2.gz QGIDNNLEHQNVJD-UHFFFAOYSA-N 1 3 311.473 3.845 20 0 DHADHO CN1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1(C)C ZINC000623345039 1016975694 /nfs/dbraw/zinc/97/56/94/1016975694.db2.gz OJACXOFCRBRDBG-CYBMUJFWSA-N 1 3 316.367 3.548 20 0 DHADHO CC(C)OCc1ccccc1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623347182 1016976156 /nfs/dbraw/zinc/97/61/56/1016976156.db2.gz RABKRHBBEKJVLR-GOSISDBHSA-N 1 3 304.478 3.574 20 0 DHADHO C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(Cl)c1 ZINC000623432407 1017041948 /nfs/dbraw/zinc/04/19/48/1017041948.db2.gz QNCOXXVVCFCIFF-DZGCQCFKSA-N 1 3 310.869 3.570 20 0 DHADHO C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Oc1cccc(Cl)c1 ZINC000623432407 1017041959 /nfs/dbraw/zinc/04/19/59/1017041959.db2.gz QNCOXXVVCFCIFF-DZGCQCFKSA-N 1 3 310.869 3.570 20 0 DHADHO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000666922901 1032246429 /nfs/dbraw/zinc/24/64/29/1032246429.db2.gz RCKVULLCYWQAOF-DKSSEZFCSA-N 1 3 304.453 3.687 20 0 DHADHO Cc1ccc(SC[C@@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623495280 1017071823 /nfs/dbraw/zinc/07/18/23/1017071823.db2.gz XLVFXBBQFYZRPU-CVEARBPZSA-N 1 3 306.519 3.938 20 0 DHADHO Cc1ccc(SC[C@@H](C)N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623495280 1017071837 /nfs/dbraw/zinc/07/18/37/1017071837.db2.gz XLVFXBBQFYZRPU-CVEARBPZSA-N 1 3 306.519 3.938 20 0 DHADHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc(C)c1OC(F)F ZINC000295087322 1032269189 /nfs/dbraw/zinc/26/91/89/1032269189.db2.gz SSNBAWBBXXHCFG-MQVJKMGUSA-N 1 3 324.415 3.620 20 0 DHADHO CCc1nc(C)c([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)s1 ZINC000089512824 1032346874 /nfs/dbraw/zinc/34/68/74/1032346874.db2.gz FGTITMGLQMQVSD-GFCCVEGCSA-N 1 3 309.523 3.927 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171340551 1032453009 /nfs/dbraw/zinc/45/30/09/1032453009.db2.gz KJVLABJVRGVONS-RHSMWYFYSA-N 1 3 322.443 3.676 20 0 DHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(C)cc2C)[C@H](C)C1 ZINC000115628309 1017081433 /nfs/dbraw/zinc/08/14/33/1017081433.db2.gz HSNOWYDPHNBFTQ-UYAOXDASSA-N 1 3 318.505 3.530 20 0 DHADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(C)cc2C)[C@H](C)C1 ZINC000115628309 1017081444 /nfs/dbraw/zinc/08/14/44/1017081444.db2.gz HSNOWYDPHNBFTQ-UYAOXDASSA-N 1 3 318.505 3.530 20 0 DHADHO CCCCN(C)CCC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171343418 1032467748 /nfs/dbraw/zinc/46/77/48/1032467748.db2.gz XNMIOCXPAZXMLR-MRXNPFEDSA-N 1 3 310.432 3.534 20 0 DHADHO C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccccc1OCC[NH+](C)C ZINC000122320903 1032533532 /nfs/dbraw/zinc/53/35/32/1032533532.db2.gz YSNDGQHUZZPFKL-IIBYNOLFSA-N 1 3 324.468 3.650 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCCCS2)CC1 ZINC000541555113 1032581198 /nfs/dbraw/zinc/58/11/98/1032581198.db2.gz MKNAEXVBOBLZQM-NJAFHUGGSA-N 1 3 310.551 3.905 20 0 DHADHO CCOc1ccc([C@@H](CC)[NH2+][C@@H]2CCCC[C@H]2N)cc1OCC ZINC000424375341 1012012470 /nfs/dbraw/zinc/01/24/70/1012012470.db2.gz MVCLGTJODUMVHI-BRWVUGGUSA-N 1 3 320.477 3.795 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@H]2CCc3c(F)cccc3C2)CC1(C)C ZINC001171407478 1032599674 /nfs/dbraw/zinc/59/96/74/1032599674.db2.gz INCIYZOICMJZPC-HNNXBMFYSA-N 1 3 318.480 3.924 20 0 DHADHO COc1ccc([C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C(C)C)cc1 ZINC000643548619 1012120356 /nfs/dbraw/zinc/12/03/56/1012120356.db2.gz RZQCERGFLWXEFD-AEFFLSMTSA-N 1 3 302.462 3.657 20 0 DHADHO c1c(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000515232813 1012583846 /nfs/dbraw/zinc/58/38/46/1012583846.db2.gz YYKWJWPXFGUAQT-GVDBMIGSSA-N 1 3 304.503 3.637 20 0 DHADHO C[C@@H](N)c1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961900 1012816444 /nfs/dbraw/zinc/81/64/44/1012816444.db2.gz QAVLNPJNIQUPOE-KTFSGNIMSA-N 1 3 324.472 3.634 20 0 DHADHO C[C@@H](N)c1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961900 1012816450 /nfs/dbraw/zinc/81/64/50/1012816450.db2.gz QAVLNPJNIQUPOE-KTFSGNIMSA-N 1 3 324.472 3.634 20 0 DHADHO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)CN(C)C)CCCO2 ZINC000425929364 1012961290 /nfs/dbraw/zinc/96/12/90/1012961290.db2.gz XIVGUIFSWVWGKK-YJBOKZPZSA-N 1 3 304.478 3.811 20 0 DHADHO COc1ccc2cc(C[NH2+]C[C@H]3CCCCN(C)C3)ccc2c1 ZINC000623654750 1017152153 /nfs/dbraw/zinc/15/21/53/1017152153.db2.gz IAEIBBLNOUDVFE-QGZVFWFLSA-N 1 3 312.457 3.670 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000623657118 1017155170 /nfs/dbraw/zinc/15/51/70/1017155170.db2.gz KBRDWHCDRUTNIG-SLTAFYQDSA-N 1 3 306.416 3.677 20 0 DHADHO COCc1ccccc1/C=C(\C)CNC[C@H]1CCCC[N@H+](C)C1 ZINC000623656750 1017156152 /nfs/dbraw/zinc/15/61/52/1017156152.db2.gz AWGTVCXBAVMMEF-XCMFGDQWSA-N 1 3 316.489 3.558 20 0 DHADHO COCc1ccccc1/C=C(\C)CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000623656750 1017156158 /nfs/dbraw/zinc/15/61/58/1017156158.db2.gz AWGTVCXBAVMMEF-XCMFGDQWSA-N 1 3 316.489 3.558 20 0 DHADHO CSCC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716685101 1032701276 /nfs/dbraw/zinc/70/12/76/1032701276.db2.gz WZLNOWKQKAQGSP-KANFNMMFSA-N 1 3 318.530 3.771 20 0 DHADHO COc1ccccc1[C@H]1CCC[N@@H+]1CCCN1CCCCC1 ZINC000444589691 1017579679 /nfs/dbraw/zinc/57/96/79/1017579679.db2.gz KEBWEDXDDUPGHF-GOSISDBHSA-N 1 3 302.462 3.708 20 0 DHADHO COc1ccccc1[C@H]1CCC[N@H+]1CCCN1CCCCC1 ZINC000444589691 1017579692 /nfs/dbraw/zinc/57/96/92/1017579692.db2.gz KEBWEDXDDUPGHF-GOSISDBHSA-N 1 3 302.462 3.708 20 0 DHADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624119696 1017693476 /nfs/dbraw/zinc/69/34/76/1017693476.db2.gz HGLUCZKRVMLQFH-SJORKVTESA-N 1 3 304.478 3.858 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cc(C)ccc1OC ZINC000624122254 1017695508 /nfs/dbraw/zinc/69/55/08/1017695508.db2.gz NDUCIGVNJSUJLI-SJLPKXTDSA-N 1 3 304.478 3.776 20 0 DHADHO CCc1cc(N2CCC3(CCC[N@@H+]3C)CC2)c2ccccc2n1 ZINC000445590331 1017917645 /nfs/dbraw/zinc/91/76/45/1017917645.db2.gz DXAKBYBFPCSWHA-UHFFFAOYSA-N 1 3 309.457 3.862 20 0 DHADHO CCc1cc(N2CCC3(CCC[N@H+]3C)CC2)c2ccccc2n1 ZINC000445590331 1017917646 /nfs/dbraw/zinc/91/76/46/1017917646.db2.gz DXAKBYBFPCSWHA-UHFFFAOYSA-N 1 3 309.457 3.862 20 0 DHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3ccn(C)c3)cc2)C1 ZINC000123258415 1018056948 /nfs/dbraw/zinc/05/69/48/1018056948.db2.gz KPEBFTGANUSJCZ-QGZVFWFLSA-N 1 3 311.473 3.547 20 0 DHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3ccn(C)c3)cc2)C1 ZINC000123258415 1018056965 /nfs/dbraw/zinc/05/69/65/1018056965.db2.gz KPEBFTGANUSJCZ-QGZVFWFLSA-N 1 3 311.473 3.547 20 0 DHADHO CN(C)CC1(C[NH2+][C@H]2CCCNc3ccccc32)CCCC1 ZINC000193287534 1018139777 /nfs/dbraw/zinc/13/97/77/1018139777.db2.gz RSOZMERCMHTNIS-SFHVURJKSA-N 1 3 301.478 3.645 20 0 DHADHO C[NH+](C)CC1(CN[C@H]2CCCNc3ccccc32)CCCC1 ZINC000193287534 1018139783 /nfs/dbraw/zinc/13/97/83/1018139783.db2.gz RSOZMERCMHTNIS-SFHVURJKSA-N 1 3 301.478 3.645 20 0 DHADHO CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000446759528 1018245303 /nfs/dbraw/zinc/24/53/03/1018245303.db2.gz GKEXWDOCBKEWHR-ICSRJNTNSA-N 1 3 318.505 3.549 20 0 DHADHO Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000152469920 1032760690 /nfs/dbraw/zinc/76/06/90/1032760690.db2.gz FAOQZRNFPDXHKG-WBMJQRKESA-N 1 3 322.905 3.951 20 0 DHADHO Fc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000383611165 1018421692 /nfs/dbraw/zinc/42/16/92/1018421692.db2.gz SQNJLVVSVSQWQV-WOJBJXKFSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000383611165 1018421697 /nfs/dbraw/zinc/42/16/97/1018421697.db2.gz SQNJLVVSVSQWQV-WOJBJXKFSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1ccccc1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000383652148 1018424397 /nfs/dbraw/zinc/42/43/97/1018424397.db2.gz JNSIBYUEWRHXAF-QUCCMNQESA-N 1 3 324.443 3.780 20 0 DHADHO Fc1ccccc1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000383652148 1018424400 /nfs/dbraw/zinc/42/44/00/1018424400.db2.gz JNSIBYUEWRHXAF-QUCCMNQESA-N 1 3 324.443 3.780 20 0 DHADHO COc1ccccc1[C@@H]1CCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583505247 1018517401 /nfs/dbraw/zinc/51/74/01/1018517401.db2.gz XXTFWBZFOHPVLR-FQEVSTJZSA-N 1 3 322.452 3.678 20 0 DHADHO OCCC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925204785 1018520859 /nfs/dbraw/zinc/52/08/59/1018520859.db2.gz GQSCXYGXMUKDTN-PXNSSMCTSA-N 1 3 322.537 3.704 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCCc2cccc3cccnc32)c2ccccc21 ZINC000261843409 1018559312 /nfs/dbraw/zinc/55/93/12/1018559312.db2.gz IWOYUZVTTKVOQS-MOPGFXCFSA-N 1 3 303.409 3.512 20 0 DHADHO C[C@H](NCc1nc2cc(Cl)ccc2s1)C1CC[NH+](C)CC1 ZINC000675771661 1018584377 /nfs/dbraw/zinc/58/43/77/1018584377.db2.gz ZHXREVJFDOVPHY-NSHDSACASA-N 1 3 323.893 3.770 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@H]1CCSc2ccc(F)cc21 ZINC000650758519 1018691491 /nfs/dbraw/zinc/69/14/91/1018691491.db2.gz RIRCMDQBLVMTIK-KRWDZBQOSA-N 1 3 316.445 3.872 20 0 DHADHO COc1ccc2c(c1)nccc2N(C)C1CC[NH+](C(C)C)CC1 ZINC000765461331 1018796562 /nfs/dbraw/zinc/79/65/62/1018796562.db2.gz MGWQVGHSRKHJFE-UHFFFAOYSA-N 1 3 313.445 3.552 20 0 DHADHO CC(C)(C)c1cnc(CNCC2CC[NH+](CC3CC3)CC2)s1 ZINC000657813648 1018800282 /nfs/dbraw/zinc/80/02/82/1018800282.db2.gz WDXBDBOEADKTAW-UHFFFAOYSA-N 1 3 321.534 3.652 20 0 DHADHO CN1C(C)(C)CC([NH2+]C2(Cc3ccc(O)cc3)CC2)CC1(C)C ZINC001171630343 1032793638 /nfs/dbraw/zinc/79/36/38/1032793638.db2.gz NCOUXQIXNOJTBN-UHFFFAOYSA-N 1 3 316.489 3.708 20 0 DHADHO CC[NH+](CC)CCOC1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000080645523 1018931058 /nfs/dbraw/zinc/93/10/58/1018931058.db2.gz KEUJXDHNHFXMRU-MRXNPFEDSA-N 1 3 322.468 3.710 20 0 DHADHO CC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000129009278 1018937556 /nfs/dbraw/zinc/93/75/56/1018937556.db2.gz MOFLPOMPHLWXIL-HUUCEWRRSA-N 1 3 311.267 3.632 20 0 DHADHO Cc1cnc(Cl)c(CNCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000921536400 1018949875 /nfs/dbraw/zinc/94/98/75/1018949875.db2.gz PSDXPZICSVVRCJ-AWEZNQCLSA-N 1 3 309.885 3.645 20 0 DHADHO Cc1cnc(Cl)c(CNCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000921536400 1018949879 /nfs/dbraw/zinc/94/98/79/1018949879.db2.gz PSDXPZICSVVRCJ-AWEZNQCLSA-N 1 3 309.885 3.645 20 0 DHADHO C(C[C@H]1CCC2(CCC2)O1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000922968198 1018953760 /nfs/dbraw/zinc/95/37/60/1018953760.db2.gz RBGIGNGHTXHNDR-LJQANCHMSA-N 1 3 320.521 3.865 20 0 DHADHO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995786 1032801421 /nfs/dbraw/zinc/80/14/21/1032801421.db2.gz ZXPHXRGXBIXNSN-HOCLYGCPSA-N 1 3 304.503 3.604 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168692685 1019061440 /nfs/dbraw/zinc/06/14/40/1019061440.db2.gz RWDCJPAUCYOVHC-HOCLYGCPSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCCN[C@H]1Cc2cccc(Cl)c2C1 ZINC001168692685 1019061454 /nfs/dbraw/zinc/06/14/54/1019061454.db2.gz RWDCJPAUCYOVHC-HOCLYGCPSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCCN[C@H]1Cc2cccc(Cl)c2C1 ZINC001168692685 1019061465 /nfs/dbraw/zinc/06/14/65/1019061465.db2.gz RWDCJPAUCYOVHC-HOCLYGCPSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccncc2s1 ZINC000657838048 1019089364 /nfs/dbraw/zinc/08/93/64/1019089364.db2.gz NEOCFWPWGLYWRU-NWANDNLSSA-N 1 3 301.459 3.574 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc2ccncc2s1 ZINC000657838048 1019089381 /nfs/dbraw/zinc/08/93/81/1019089381.db2.gz NEOCFWPWGLYWRU-NWANDNLSSA-N 1 3 301.459 3.574 20 0 DHADHO C[C@@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1CCC(F)(F)CC1 ZINC000635003871 1019120344 /nfs/dbraw/zinc/12/03/44/1019120344.db2.gz BPERHHQPCCLLOG-PBHICJAKSA-N 1 3 310.432 3.750 20 0 DHADHO c1ccc(CCN2CC[C@H](C[NH2+]C3CCCCCC3)C2)cc1 ZINC000076443460 1019138651 /nfs/dbraw/zinc/13/86/51/1019138651.db2.gz QCJAPSDDDGVNLL-LJQANCHMSA-N 1 3 300.490 3.863 20 0 DHADHO C[NH+]1C(C)(C)CC(NCC(C)(C)c2ccc(F)cn2)CC1(C)C ZINC001171627346 1032811192 /nfs/dbraw/zinc/81/11/92/1032811192.db2.gz QHTOVYXNSAQWNN-UHFFFAOYSA-N 1 3 321.484 3.739 20 0 DHADHO Cc1cccc(C(C)(C)CNC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001171627119 1032811653 /nfs/dbraw/zinc/81/16/53/1032811653.db2.gz KTDQHWNKNAORTJ-UHFFFAOYSA-N 1 3 317.521 3.909 20 0 DHADHO Cc1ccccc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708538845 1019253434 /nfs/dbraw/zinc/25/34/34/1019253434.db2.gz IGEOKYILPHQRAA-GHTZIAJQSA-N 1 3 308.469 3.853 20 0 DHADHO Cc1ccccc1CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000708538845 1019253447 /nfs/dbraw/zinc/25/34/47/1019253447.db2.gz IGEOKYILPHQRAA-GHTZIAJQSA-N 1 3 308.469 3.853 20 0 DHADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000708538845 1019253456 /nfs/dbraw/zinc/25/34/56/1019253456.db2.gz IGEOKYILPHQRAA-GHTZIAJQSA-N 1 3 308.469 3.853 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)c(C)c1OC ZINC000347679335 1019288714 /nfs/dbraw/zinc/28/87/14/1019288714.db2.gz NLOMGNBZXQYJCY-HZPDHXFCSA-N 1 3 320.477 3.537 20 0 DHADHO Clc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166470388 1019361428 /nfs/dbraw/zinc/36/14/28/1019361428.db2.gz BGHWVVBJYFRMMS-DLBZAZTESA-N 1 3 304.865 3.588 20 0 DHADHO Clc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166470388 1019361443 /nfs/dbraw/zinc/36/14/43/1019361443.db2.gz BGHWVVBJYFRMMS-DLBZAZTESA-N 1 3 304.865 3.588 20 0 DHADHO COc1ccc2c(c1)C[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171639494 1032834703 /nfs/dbraw/zinc/83/47/03/1032834703.db2.gz MOVMYPVGNRIYNN-UHFFFAOYSA-N 1 3 302.462 3.662 20 0 DHADHO COc1ccc2c(c1)C[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171639494 1032834717 /nfs/dbraw/zinc/83/47/17/1032834717.db2.gz MOVMYPVGNRIYNN-UHFFFAOYSA-N 1 3 302.462 3.662 20 0 DHADHO CCc1ncc(CN2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000093769276 1019582034 /nfs/dbraw/zinc/58/20/34/1019582034.db2.gz WJJXZIZHFVUPBW-UHFFFAOYSA-N 1 3 321.534 3.794 20 0 DHADHO Cc1ccc2cc(CNCc3cccc(C[NH+](C)C)c3)[nH]c2c1 ZINC000657300350 1019704890 /nfs/dbraw/zinc/70/48/90/1019704890.db2.gz MQKNOGLDECBODE-UHFFFAOYSA-N 1 3 307.441 3.828 20 0 DHADHO CCOC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000657899076 1019900908 /nfs/dbraw/zinc/90/09/08/1019900908.db2.gz UYURJZYOXXVSKR-UHFFFAOYSA-N 1 3 308.510 3.721 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC000360441314 1020064235 /nfs/dbraw/zinc/06/42/35/1020064235.db2.gz GEAOQMOTPMRRMQ-DOMZBBRYSA-N 1 3 310.894 3.808 20 0 DHADHO COCc1ccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000340172234 1020369102 /nfs/dbraw/zinc/36/91/02/1020369102.db2.gz QVPNFYBZFCVNQO-SFTDATJTSA-N 1 3 324.468 3.758 20 0 DHADHO COCc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000340172234 1020369112 /nfs/dbraw/zinc/36/91/12/1020369112.db2.gz QVPNFYBZFCVNQO-SFTDATJTSA-N 1 3 324.468 3.758 20 0 DHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171808033 1032896828 /nfs/dbraw/zinc/89/68/28/1032896828.db2.gz XIWMFQAFUWDOPH-BZSNNMDCSA-N 1 3 316.464 3.632 20 0 DHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171808033 1032896844 /nfs/dbraw/zinc/89/68/44/1032896844.db2.gz XIWMFQAFUWDOPH-BZSNNMDCSA-N 1 3 316.464 3.632 20 0 DHADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@H]1Cc2cccc(F)c2C1 ZINC001171808033 1032896859 /nfs/dbraw/zinc/89/68/59/1032896859.db2.gz XIWMFQAFUWDOPH-BZSNNMDCSA-N 1 3 316.464 3.632 20 0 DHADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@H]1Cc2cccc(F)c2C1 ZINC001171808033 1032896873 /nfs/dbraw/zinc/89/68/73/1032896873.db2.gz XIWMFQAFUWDOPH-BZSNNMDCSA-N 1 3 316.464 3.632 20 0 DHADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000766045674 1020596740 /nfs/dbraw/zinc/59/67/40/1020596740.db2.gz TUVJEONBLBQSSA-KBXCAEBGSA-N 1 3 304.478 3.639 20 0 DHADHO C[C@H](NCCCC[NH+](C)C)c1csc(-c2ccccc2)n1 ZINC000414083961 1020862759 /nfs/dbraw/zinc/86/27/59/1020862759.db2.gz WSCDMLGRBLBQBU-AWEZNQCLSA-N 1 3 303.475 3.803 20 0 DHADHO CCOc1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000171128013 1020978920 /nfs/dbraw/zinc/97/89/20/1020978920.db2.gz VFVIOEPMFLVQPV-INIZCTEOSA-N 1 3 312.457 3.998 20 0 DHADHO CCOc1ccc([C@H](CC)N[C@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000423383058 1021194186 /nfs/dbraw/zinc/19/41/86/1021194186.db2.gz KIGMSSYKNRUVRL-ULQDDVLXSA-N 1 3 320.477 3.795 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000252130557 1021273180 /nfs/dbraw/zinc/27/31/80/1021273180.db2.gz KSBIEBDGDHVBCN-KSSFIOAISA-N 1 3 306.881 3.661 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCCN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000252130557 1021273187 /nfs/dbraw/zinc/27/31/87/1021273187.db2.gz KSBIEBDGDHVBCN-KSSFIOAISA-N 1 3 306.881 3.661 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCCN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000252130557 1021273195 /nfs/dbraw/zinc/27/31/95/1021273195.db2.gz KSBIEBDGDHVBCN-KSSFIOAISA-N 1 3 306.881 3.661 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1csc(C(F)(F)F)c1 ZINC000924650024 1032969744 /nfs/dbraw/zinc/96/97/44/1032969744.db2.gz PMGPOLLTPAHPQR-WDEREUQCSA-N 1 3 318.408 3.902 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccccc1C(F)(F)F)C2 ZINC001172101120 1032980259 /nfs/dbraw/zinc/98/02/59/1032980259.db2.gz WOFLBAUYKRHOET-QDMKHBRRSA-N 1 3 312.379 3.810 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccccc1C(F)(F)F)C2 ZINC001172101120 1032980274 /nfs/dbraw/zinc/98/02/74/1032980274.db2.gz WOFLBAUYKRHOET-QDMKHBRRSA-N 1 3 312.379 3.810 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C2 ZINC001172101120 1032980287 /nfs/dbraw/zinc/98/02/87/1032980287.db2.gz WOFLBAUYKRHOET-QDMKHBRRSA-N 1 3 312.379 3.810 20 0 DHADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121956 1021507040 /nfs/dbraw/zinc/50/70/40/1021507040.db2.gz GNNUUMOBAXMXAX-SJLPKXTDSA-N 1 3 302.462 3.530 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3c1cccc3Cl)C2 ZINC001172104401 1033003417 /nfs/dbraw/zinc/00/34/17/1033003417.db2.gz CKHGKVKXXFVLCN-AHXJXLJNSA-N 1 3 304.865 3.932 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3c1cccc3Cl)C2 ZINC001172104401 1033003430 /nfs/dbraw/zinc/00/34/30/1033003430.db2.gz CKHGKVKXXFVLCN-AHXJXLJNSA-N 1 3 304.865 3.932 20 0 DHADHO C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2F)CCC[C@H]1C[NH3+] ZINC001205993663 1022150911 /nfs/dbraw/zinc/15/09/11/1022150911.db2.gz IFCJDMBZRWHFGF-RYUDHWBXSA-N 1 3 318.358 3.651 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3cccc(C(F)(F)F)c3)CC1)C2 ZINC001169100099 1022246659 /nfs/dbraw/zinc/24/66/59/1022246659.db2.gz GCSXIUNEKQEDHS-MUJYYYPQSA-N 1 3 324.390 3.909 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001169109598 1022266450 /nfs/dbraw/zinc/26/64/50/1022266450.db2.gz FQXNKXNPGKBPSR-FCGDIQPGSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001169109598 1022266455 /nfs/dbraw/zinc/26/64/55/1022266455.db2.gz FQXNKXNPGKBPSR-FCGDIQPGSA-N 1 3 302.437 3.882 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169108016 1022268010 /nfs/dbraw/zinc/26/80/10/1022268010.db2.gz MOFLYCDFTJMTBL-MUJYYYPQSA-N 1 3 324.390 3.909 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Oc3ccccn3)cc1)C2 ZINC001169115309 1022270008 /nfs/dbraw/zinc/27/00/08/1022270008.db2.gz ILOVUNDYYKDJRM-NNZMDNLPSA-N 1 3 323.440 3.589 20 0 DHADHO Cc1nc2ccc(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)cc2[nH]1 ZINC001169147161 1022278305 /nfs/dbraw/zinc/27/83/05/1022278305.db2.gz SQJDETSWRIQFEB-KBXCAEBGSA-N 1 3 300.450 3.827 20 0 DHADHO c1ccc2c(c1)C[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CS2 ZINC001172195975 1033055563 /nfs/dbraw/zinc/05/55/63/1033055563.db2.gz CPRGOXNXRWNSAC-KRWDZBQOSA-N 1 3 316.514 3.700 20 0 DHADHO CC[C@H]1CCCCN1CC1(C[N@@H+]2CCCC[C@@H]2CC)COC1 ZINC000157315545 1022541605 /nfs/dbraw/zinc/54/16/05/1022541605.db2.gz JUHCCVLGSIOYJH-ROUUACIJSA-N 1 3 308.510 3.532 20 0 DHADHO CC[C@H]1CCCCN1CC1(C[N@H+]2CCCC[C@@H]2CC)COC1 ZINC000157315545 1022541615 /nfs/dbraw/zinc/54/16/15/1022541615.db2.gz JUHCCVLGSIOYJH-ROUUACIJSA-N 1 3 308.510 3.532 20 0 DHADHO c1ccc2c(c1)C[C@H]([NH2+]C1CCN(CC3CCC3)CC1)CS2 ZINC001172200585 1033061461 /nfs/dbraw/zinc/06/14/61/1033061461.db2.gz LGJSMAKLTSSVQD-SFHVURJKSA-N 1 3 316.514 3.558 20 0 DHADHO CC[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)CC(F)F ZINC000660256643 1022823720 /nfs/dbraw/zinc/82/37/20/1022823720.db2.gz MODKSAKMVICWSB-KKUMJFAQSA-N 1 3 302.453 3.910 20 0 DHADHO COC1(CCN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC1 ZINC000338997500 1022841142 /nfs/dbraw/zinc/84/11/42/1022841142.db2.gz NIQKNOJGVLSXIT-QZTJIDSGSA-N 1 3 308.510 3.532 20 0 DHADHO COC1(CCN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCC1 ZINC000338997500 1022841154 /nfs/dbraw/zinc/84/11/54/1022841154.db2.gz NIQKNOJGVLSXIT-QZTJIDSGSA-N 1 3 308.510 3.532 20 0 DHADHO Cc1cc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000621775525 1022870956 /nfs/dbraw/zinc/87/09/56/1022870956.db2.gz QVHXCGGCWKATSL-SFTDATJTSA-N 1 3 323.484 3.562 20 0 DHADHO ClC1(Cl)C[C@H]1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000856805735 1022872079 /nfs/dbraw/zinc/87/20/79/1022872079.db2.gz ULOUOEWYXQJNKK-CYBMUJFWSA-N 1 3 319.320 3.957 20 0 DHADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000925643499 1022928723 /nfs/dbraw/zinc/92/87/23/1022928723.db2.gz JLAPOHMPMLHYFT-RBSFLKMASA-N 1 3 314.395 3.828 20 0 DHADHO FC1(F)CCC(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925660588 1023006933 /nfs/dbraw/zinc/00/69/33/1023006933.db2.gz OJLUFVDJANFGHY-CVEARBPZSA-N 1 3 300.437 3.570 20 0 DHADHO [NH3+]CCC[C@H](NCc1scnc1C1CC1)c1ccccc1 ZINC000415046595 1023007960 /nfs/dbraw/zinc/00/79/60/1023007960.db2.gz CVHFPYFBJVHBEY-HNNXBMFYSA-N 1 3 301.459 3.590 20 0 DHADHO CC(C)Oc1cccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)c1 ZINC000298369366 1023031010 /nfs/dbraw/zinc/03/10/10/1023031010.db2.gz KNMIOUFLPUEWTR-OAHLLOKOSA-N 1 3 302.462 3.751 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000089513137 1023088767 /nfs/dbraw/zinc/08/87/67/1023088767.db2.gz IIXMPWNJEICSFX-SFHVURJKSA-N 1 3 318.530 3.870 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCN[C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651829497 1023577970 /nfs/dbraw/zinc/57/79/70/1023577970.db2.gz DPUUPWQHOXGLCZ-WFASDCNBSA-N 1 3 310.844 3.788 20 0 DHADHO C[N@H+]1CCC[C@@H](CCN[C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651829497 1023577973 /nfs/dbraw/zinc/57/79/73/1023577973.db2.gz DPUUPWQHOXGLCZ-WFASDCNBSA-N 1 3 310.844 3.788 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cccc3c2OC(C)(C)C3)[C@@H](C)C1 ZINC000538717382 1033143446 /nfs/dbraw/zinc/14/34/46/1033143446.db2.gz XNCSCBROGDHXDS-MAUKXSAKSA-N 1 3 316.489 3.562 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)[C@@H](C)C1 ZINC000538717382 1033143455 /nfs/dbraw/zinc/14/34/55/1033143455.db2.gz XNCSCBROGDHXDS-MAUKXSAKSA-N 1 3 316.489 3.562 20 0 DHADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C[C@@H]1C ZINC001172368891 1033148741 /nfs/dbraw/zinc/14/87/41/1033148741.db2.gz KJSLEFJQQKNPEZ-AOIWGVFYSA-N 1 3 315.505 3.708 20 0 DHADHO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000249580053 1023920314 /nfs/dbraw/zinc/92/03/14/1023920314.db2.gz NDSAYEIRUVEZPM-APWZRJJASA-N 1 3 316.489 3.783 20 0 DHADHO Cc1cccnc1[C@@H](NCc1cccc2c1CC[NH2+]C2)C(C)C ZINC000662265052 1024040979 /nfs/dbraw/zinc/04/09/79/1024040979.db2.gz UMGJMFMMFNGEFL-IBGZPJMESA-N 1 3 309.457 3.523 20 0 DHADHO FC(F)c1cccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662293560 1024073495 /nfs/dbraw/zinc/07/34/95/1024073495.db2.gz LWJBYTSLHDHPON-QGZVFWFLSA-N 1 3 308.416 3.836 20 0 DHADHO CSc1ccc(CNC2CCC([NH+]3CCCCC3)CC2)o1 ZINC000883031214 1024219407 /nfs/dbraw/zinc/21/94/07/1024219407.db2.gz NGLDPJNFBYSSSL-UHFFFAOYSA-N 1 3 308.491 3.888 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H](CO)CCC(C)(C)C)CC1 ZINC000475680669 1024231248 /nfs/dbraw/zinc/23/12/48/1024231248.db2.gz QRNCWPJSKVYVFU-NZSAHSFTSA-N 1 3 324.553 3.806 20 0 DHADHO CCOC1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000662543674 1024245119 /nfs/dbraw/zinc/24/51/19/1024245119.db2.gz FTTSAAMCYUNDAS-UHFFFAOYSA-N 1 3 316.489 3.673 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1Cl ZINC000531699750 1024275034 /nfs/dbraw/zinc/27/50/34/1024275034.db2.gz GERCCMOFSODYBZ-CYBMUJFWSA-N 1 3 322.880 3.874 20 0 DHADHO Clc1cccc([C@H]2C[C@@H]2NC2CC[NH+](CC3CC3)CC2)c1 ZINC001168359674 1033203326 /nfs/dbraw/zinc/20/33/26/1033203326.db2.gz FFSGQZZELWZPOL-MSOLQXFVSA-N 1 3 304.865 3.660 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000453113634 1024341202 /nfs/dbraw/zinc/34/12/02/1024341202.db2.gz UVFGXKYIOLKWAZ-QGZVFWFLSA-N 1 3 300.490 3.644 20 0 DHADHO Clc1cccc([C@@H]2C[C@H]2NC2CC[NH+](CC3CC3)CC2)c1 ZINC001168359681 1033204652 /nfs/dbraw/zinc/20/46/52/1033204652.db2.gz FFSGQZZELWZPOL-ZWKOTPCHSA-N 1 3 304.865 3.660 20 0 DHADHO CCn1ccnc1[C@H](C)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000453184444 1024384423 /nfs/dbraw/zinc/38/44/23/1024384423.db2.gz ZXKRKPAYDZHAIA-AOCRQIFASA-N 1 3 318.509 3.597 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000663466231 1024402824 /nfs/dbraw/zinc/40/28/24/1024402824.db2.gz PSASQULZODCZOI-ZBFHGGJFSA-N 1 3 314.464 3.912 20 0 DHADHO C[C@@H](CCc1ccsc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663464676 1024404348 /nfs/dbraw/zinc/40/43/48/1024404348.db2.gz FXDHHHIGBKKZFE-YJBOKZPZSA-N 1 3 306.519 3.781 20 0 DHADHO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466963 1024407711 /nfs/dbraw/zinc/40/77/11/1024407711.db2.gz CESVIKNITISCLE-PXNSSMCTSA-N 1 3 300.490 3.719 20 0 DHADHO c1ccc(C[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C2CC2)cc1 ZINC000663469285 1024418677 /nfs/dbraw/zinc/41/86/77/1024418677.db2.gz PNQYYDHUNSBOBU-CTNGQTDRSA-N 1 3 312.501 3.719 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccccc1C(F)(F)F ZINC000925778127 1024431657 /nfs/dbraw/zinc/43/16/57/1024431657.db2.gz IDVSHAXXMZFYMH-MNOVXSKESA-N 1 3 322.321 3.601 20 0 DHADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883424461 1024433535 /nfs/dbraw/zinc/43/35/35/1024433535.db2.gz TWQWECCLYQQZON-HLKUOHOZSA-N 1 3 314.473 3.641 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N2CCC[C@]3(CCOC3)C2)CC1 ZINC000453366658 1024488556 /nfs/dbraw/zinc/48/85/56/1024488556.db2.gz MEHZVMXVRLEJMY-HOJAQTOUSA-N 1 3 320.521 3.532 20 0 DHADHO FC(F)(F)c1ccc([C@H]2CCC[C@H]2[NH2+]CC23CC(C2)CN3)cc1 ZINC000663499516 1024492118 /nfs/dbraw/zinc/49/21/18/1024492118.db2.gz XVIHIQYTLBLNTN-UNXMRWRESA-N 1 3 324.390 3.683 20 0 DHADHO C[C@@H](Cc1ccccc1Cl)[NH2+]CCCN1CCC(C)CC1 ZINC001170250243 1024723883 /nfs/dbraw/zinc/72/38/83/1024723883.db2.gz INUGADBLCVNBCA-INIZCTEOSA-N 1 3 308.897 3.983 20 0 DHADHO CCC[NH+]1C[C@@H]2CN([C@@H](C)Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001168192987 1025166802 /nfs/dbraw/zinc/16/68/02/1025166802.db2.gz OUPYFGGAZPMNMR-USXIJHARSA-N 1 3 306.881 3.545 20 0 DHADHO CCC[N@H+]1C[C@H]2CN([C@@H](C)Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001168192979 1025167572 /nfs/dbraw/zinc/16/75/72/1025167572.db2.gz OUPYFGGAZPMNMR-BHYGNILZSA-N 1 3 306.881 3.545 20 0 DHADHO CCC[N@@H+]1C[C@H]2CN([C@@H](C)Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001168192979 1025167581 /nfs/dbraw/zinc/16/75/81/1025167581.db2.gz OUPYFGGAZPMNMR-BHYGNILZSA-N 1 3 306.881 3.545 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000122920613 1025241772 /nfs/dbraw/zinc/24/17/72/1025241772.db2.gz GLTZIHDOGNFDQD-DYEKYZERSA-N 1 3 316.367 3.719 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000122920613 1025241780 /nfs/dbraw/zinc/24/17/80/1025241780.db2.gz GLTZIHDOGNFDQD-DYEKYZERSA-N 1 3 316.367 3.719 20 0 DHADHO C[NH+](C)CCCCN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000353844630 1025265747 /nfs/dbraw/zinc/26/57/47/1025265747.db2.gz UONKDSRPXRQJCU-FQEVSTJZSA-N 1 3 323.440 3.849 20 0 DHADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000279825975 1025277742 /nfs/dbraw/zinc/27/77/42/1025277742.db2.gz YNIDSVYRQMSLIQ-YJBOKZPZSA-N 1 3 304.478 3.615 20 0 DHADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccs1 ZINC000171126773 1025300256 /nfs/dbraw/zinc/30/02/56/1025300256.db2.gz RYFSHKKEJBPQTQ-HNNXBMFYSA-N 1 3 318.486 3.929 20 0 DHADHO COCc1cccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924683613 1033274799 /nfs/dbraw/zinc/27/47/99/1033274799.db2.gz GHIFSXMAZUCEAT-MRXNPFEDSA-N 1 3 312.457 3.745 20 0 DHADHO C1CC2(C1)C[C@@H]([NH2+][C@H]1CCNC[C@H]1C1CCCC1)CCS2 ZINC000925857673 1025334514 /nfs/dbraw/zinc/33/45/14/1025334514.db2.gz HUYDCGVHKXBTKW-ULQDDVLXSA-N 1 3 308.535 3.563 20 0 DHADHO Cc1ccc(CCCNCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000354156592 1025370525 /nfs/dbraw/zinc/37/05/25/1025370525.db2.gz AFDHPDGXTPIIGL-IRXDYDNUSA-N 1 3 317.521 3.669 20 0 DHADHO CC[NH+]1CCC(N(C)Cc2cccc(-c3ccncc3)c2)CC1 ZINC000125249252 1025462216 /nfs/dbraw/zinc/46/22/16/1025462216.db2.gz ZLQGJBCXRQOBKI-UHFFFAOYSA-N 1 3 309.457 3.665 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000886127046 1025518459 /nfs/dbraw/zinc/51/84/59/1025518459.db2.gz ACRYYAQMRREJQL-SCTDSRPQSA-N 1 3 320.521 3.578 20 0 DHADHO C[C@H](NC[C@@H]1CCC2(CCC2)CO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127046 1025518471 /nfs/dbraw/zinc/51/84/71/1025518471.db2.gz ACRYYAQMRREJQL-SCTDSRPQSA-N 1 3 320.521 3.578 20 0 DHADHO C[C@H](NC[C@@H]1CCC2(CCC2)CO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127046 1025518485 /nfs/dbraw/zinc/51/84/85/1025518485.db2.gz ACRYYAQMRREJQL-SCTDSRPQSA-N 1 3 320.521 3.578 20 0 DHADHO C[C@H](NCCOC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127663 1025520449 /nfs/dbraw/zinc/52/04/49/1025520449.db2.gz PFHLXSQZMYKKAD-DLBZAZTESA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](NCCOC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127663 1025520443 /nfs/dbraw/zinc/52/04/43/1025520443.db2.gz PFHLXSQZMYKKAD-DLBZAZTESA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H]([NH2+]CCOC1CCCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000886127663 1025520453 /nfs/dbraw/zinc/52/04/53/1025520453.db2.gz PFHLXSQZMYKKAD-DLBZAZTESA-N 1 3 308.510 3.578 20 0 DHADHO CC[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccccc1OC ZINC000355032652 1025586529 /nfs/dbraw/zinc/58/65/29/1025586529.db2.gz CHWRGRMSNMDILC-KRWDZBQOSA-N 1 3 304.478 3.858 20 0 DHADHO CC1(C)CO[C@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000886306079 1025586640 /nfs/dbraw/zinc/58/66/40/1025586640.db2.gz YUYDEPKIOBNGOU-GOSISDBHSA-N 1 3 308.510 3.578 20 0 DHADHO CN(C)CC1(C[NH2+][C@H]2CCCOc3ccccc32)CCCC1 ZINC000355070652 1025599123 /nfs/dbraw/zinc/59/91/23/1025599123.db2.gz SYJOPUIOEBMFRI-KRWDZBQOSA-N 1 3 302.462 3.612 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069376845 1025634565 /nfs/dbraw/zinc/63/45/65/1025634565.db2.gz QUVSMOSOJLMMPC-QLFBSQMISA-N 1 3 306.416 3.962 20 0 DHADHO C[C@H]([NH2+]C[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1cccnc1 ZINC000136598823 1025868772 /nfs/dbraw/zinc/86/87/72/1025868772.db2.gz YHUYIZODEPWQIX-JENIJYKNSA-N 1 3 309.457 3.643 20 0 DHADHO CCCN(Cc1ccc(OC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000261673786 1025889641 /nfs/dbraw/zinc/88/96/41/1025889641.db2.gz LQWWPTMDZGNUQE-UHFFFAOYSA-N 1 3 316.367 3.549 20 0 DHADHO CCC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C1CCNCC1 ZINC000261673786 1025889662 /nfs/dbraw/zinc/88/96/62/1025889662.db2.gz LQWWPTMDZGNUQE-UHFFFAOYSA-N 1 3 316.367 3.549 20 0 DHADHO CCC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C1CCNCC1 ZINC000261673786 1025889677 /nfs/dbraw/zinc/88/96/77/1025889677.db2.gz LQWWPTMDZGNUQE-UHFFFAOYSA-N 1 3 316.367 3.549 20 0 DHADHO COC1(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CCC1 ZINC000429424285 1026112986 /nfs/dbraw/zinc/11/29/86/1026112986.db2.gz ZPGFEWZVPLISBF-YESZJQIVSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H]1C[C@H](N(C)Cc2cccc(-c3cccnc3)c2)CC[N@@H+]1C ZINC000093644215 1026118281 /nfs/dbraw/zinc/11/82/81/1026118281.db2.gz VSXFOPJJIIIQEB-OXQOHEQNSA-N 1 3 309.457 3.663 20 0 DHADHO C[C@@H]1C[C@H](N(C)Cc2cccc(-c3cccnc3)c2)CC[N@H+]1C ZINC000093644215 1026118291 /nfs/dbraw/zinc/11/82/91/1026118291.db2.gz VSXFOPJJIIIQEB-OXQOHEQNSA-N 1 3 309.457 3.663 20 0 DHADHO CN1CCCC[C@H]1CC[NH+]1CCC(c2ccccc2F)CC1 ZINC000532978192 1026159304 /nfs/dbraw/zinc/15/93/04/1026159304.db2.gz XPDUZMSHKIZTLN-KRWDZBQOSA-N 1 3 304.453 3.880 20 0 DHADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419341522 1026185094 /nfs/dbraw/zinc/18/50/94/1026185094.db2.gz YUWZBLZEFSQZFW-RTBURBONSA-N 1 3 323.569 3.549 20 0 DHADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419341522 1026185099 /nfs/dbraw/zinc/18/50/99/1026185099.db2.gz YUWZBLZEFSQZFW-RTBURBONSA-N 1 3 323.569 3.549 20 0 DHADHO COc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000765261770 1026207994 /nfs/dbraw/zinc/20/79/94/1026207994.db2.gz ODRYRRVNJKNDIA-UHFFFAOYSA-N 1 3 324.468 3.758 20 0 DHADHO CCCCN1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000283900787 1026438262 /nfs/dbraw/zinc/43/82/62/1026438262.db2.gz CXNSWKXIAUFENL-LJQANCHMSA-N 1 3 302.462 3.624 20 0 DHADHO CCC(CC)(CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)OC ZINC000430143705 1026467254 /nfs/dbraw/zinc/46/72/54/1026467254.db2.gz XTVAMOXAYWGCDZ-WMZOPIPTSA-N 1 3 310.526 3.824 20 0 DHADHO COc1ccc([C@H](C[NH3+])CN(C)Cc2ccc(Cl)cc2)cc1 ZINC000420296888 1026797096 /nfs/dbraw/zinc/79/70/96/1026797096.db2.gz CLDYVARWZQUSLH-MRXNPFEDSA-N 1 3 318.848 3.523 20 0 DHADHO C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330157 1026805782 /nfs/dbraw/zinc/80/57/82/1026805782.db2.gz PNJOPBFCKSOFHJ-BPLDGKMQSA-N 1 3 310.844 3.862 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(C3CC3)c2)C[C@@H](C)O1 ZINC000421352297 1026959524 /nfs/dbraw/zinc/95/95/24/1026959524.db2.gz CXAAOMVBIUBYTM-IAGOWNOFSA-N 1 3 316.489 3.543 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(C3CC3)c2)C[C@H](C)O1 ZINC000421352294 1026959893 /nfs/dbraw/zinc/95/98/93/1026959893.db2.gz CXAAOMVBIUBYTM-CALCHBBNSA-N 1 3 316.489 3.543 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000561976907 1027151826 /nfs/dbraw/zinc/15/18/26/1027151826.db2.gz WTMXJNOBFUYFAS-CABCVRRESA-N 1 3 310.432 3.606 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc(COc2ccccc2)c1 ZINC000422737472 1027306875 /nfs/dbraw/zinc/30/68/75/1027306875.db2.gz ZMYNEVPDDSROGO-LAUBAEHRSA-N 1 3 324.468 3.743 20 0 DHADHO Cc1cccc2c(CCN[C@H]3C[C@H]([NH3+])c4ccccc43)c[nH]c21 ZINC000422783052 1027317503 /nfs/dbraw/zinc/31/75/03/1027317503.db2.gz MOYTYYQVSMQEPQ-OALUTQOASA-N 1 3 305.425 3.753 20 0 DHADHO COc1ccc(CC[C@H](C)N[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422794774 1027322236 /nfs/dbraw/zinc/32/22/36/1027322236.db2.gz ZJAFASIVBIKHAA-PNHOKKKMSA-N 1 3 310.441 3.751 20 0 DHADHO c1sc2ccccc2c1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422763429 1027323427 /nfs/dbraw/zinc/32/34/27/1027323427.db2.gz OPNKBILBKMHJKB-IXDOHACOSA-N 1 3 300.471 3.912 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc2)cs1 ZINC000422800912 1027327530 /nfs/dbraw/zinc/32/75/30/1027327530.db2.gz DFWAGJFIOGNPPY-AVGNSLFASA-N 1 3 303.475 3.895 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)[NH2+][C@H]3CCC[C@H]3N)cc2)cs1 ZINC000422811174 1027332813 /nfs/dbraw/zinc/33/28/13/1027332813.db2.gz VLORMYNKKNYSCV-XZJROXQQSA-N 1 3 301.459 3.649 20 0 DHADHO Cc1ccccc1C(C)(C)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422862853 1027343844 /nfs/dbraw/zinc/34/38/44/1027343844.db2.gz QNZYGIJXTJUPEY-OAHLLOKOSA-N 1 3 311.473 3.786 20 0 DHADHO Cc1ccc2c(CCN[C@@H]3C[C@@H]([NH3+])c4ccccc43)c[nH]c2c1 ZINC000422852554 1027344300 /nfs/dbraw/zinc/34/43/00/1027344300.db2.gz XYWPCHZTNQQPKS-UYAOXDASSA-N 1 3 305.425 3.753 20 0 DHADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1Cl ZINC000422876978 1027345995 /nfs/dbraw/zinc/34/59/95/1027345995.db2.gz HCCMSFXVXJPJIJ-ACJTYDJDSA-N 1 3 313.272 3.970 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NC1(c2ccc(Br)cc2)CCC1 ZINC000422933054 1027366124 /nfs/dbraw/zinc/36/61/24/1027366124.db2.gz DCQUMTFZSPKCPU-RYUDHWBXSA-N 1 3 311.267 3.544 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NC1(c2cccc(Br)c2)CCC1 ZINC000422940003 1027367515 /nfs/dbraw/zinc/36/75/15/1027367515.db2.gz MRQGIANOMLZWGH-RYUDHWBXSA-N 1 3 311.267 3.544 20 0 DHADHO COc1cc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])ccc1OCCC(C)C ZINC000422942494 1027369798 /nfs/dbraw/zinc/36/97/98/1027369798.db2.gz KMJIFCWFUJRIBO-JYJNAYRXSA-N 1 3 322.493 3.897 20 0 DHADHO COc1ccccc1SC[C@H](C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422943386 1027369825 /nfs/dbraw/zinc/36/98/25/1027369825.db2.gz KFDSVMQXAUDSBZ-OWCLPIDISA-N 1 3 322.518 3.544 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422957291 1027377926 /nfs/dbraw/zinc/37/79/26/1027377926.db2.gz NCUYXMXCFSITKY-NEPJUHHUSA-N 1 3 300.368 3.800 20 0 DHADHO CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)Nc1ccccc1 ZINC000422981576 1027388090 /nfs/dbraw/zinc/38/80/90/1027388090.db2.gz SYYBBNXDOMNECA-AQNXPRMDSA-N 1 3 309.457 3.858 20 0 DHADHO COc1ccc(C[C@H](C)CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423013892 1027389092 /nfs/dbraw/zinc/38/90/92/1027389092.db2.gz NSRHMHUMCMHNHH-PNHOKKKMSA-N 1 3 310.441 3.608 20 0 DHADHO CCOc1ccc(Cl)cc1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423008613 1027391792 /nfs/dbraw/zinc/39/17/92/1027391792.db2.gz ARELBFXBFWVDOI-HZPDHXFCSA-N 1 3 310.869 3.531 20 0 DHADHO C[C@@H]([NH2+]C1CCNCC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000423020465 1027394672 /nfs/dbraw/zinc/39/46/72/1027394672.db2.gz BOJACNCSOMAFGY-NWDGAFQWSA-N 1 3 300.368 3.539 20 0 DHADHO Cn1cc(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c2ccc(F)cc21 ZINC000423045091 1027400509 /nfs/dbraw/zinc/40/05/09/1027400509.db2.gz BKFYIHVRWUJBKP-RTBURBONSA-N 1 3 323.415 3.594 20 0 DHADHO COCCC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCCCC1 ZINC000423065245 1027404639 /nfs/dbraw/zinc/40/46/39/1027404639.db2.gz SYQMDCOMYQAWEX-ZWKOTPCHSA-N 1 3 302.462 3.708 20 0 DHADHO CCO[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423079771 1027410401 /nfs/dbraw/zinc/41/04/01/1027410401.db2.gz AVCIHBMBUOPNEN-MTQWCTHYSA-N 1 3 316.489 3.665 20 0 DHADHO FC(F)(F)c1ccc([C@H]2C[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423094891 1027413838 /nfs/dbraw/zinc/41/38/38/1027413838.db2.gz KVBZKDCIZDITBO-ABWAJUOPSA-N 1 3 324.390 3.824 20 0 DHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC/C=C\c1ccc(Br)cc1 ZINC000423149649 1027431175 /nfs/dbraw/zinc/43/11/75/1027431175.db2.gz ASELIRINEWWMCH-XJNRFOTBSA-N 1 3 323.278 3.569 20 0 DHADHO Cc1ccc(Oc2ccccc2CCN[C@@H](C)C2C[NH2+]C2)cc1 ZINC000423168983 1027438950 /nfs/dbraw/zinc/43/89/50/1027438950.db2.gz IIODPFOPEAVINL-INIZCTEOSA-N 1 3 310.441 3.527 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423212913 1027452428 /nfs/dbraw/zinc/45/24/28/1027452428.db2.gz JELYDCHZSHHTEK-VCBZYWHSSA-N 1 3 311.473 3.831 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(SC(F)F)cc1 ZINC000158247120 1027458962 /nfs/dbraw/zinc/45/89/62/1027458962.db2.gz FGLXVDZLHLZTNG-CHWSQXEVSA-N 1 3 314.445 3.994 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(SC(F)F)cc1 ZINC000158247120 1027458968 /nfs/dbraw/zinc/45/89/68/1027458968.db2.gz FGLXVDZLHLZTNG-CHWSQXEVSA-N 1 3 314.445 3.994 20 0 DHADHO CC[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423221239 1027462099 /nfs/dbraw/zinc/46/20/99/1027462099.db2.gz ZLZPPWRPMRJKOE-MGPUTAFESA-N 1 3 312.457 3.889 20 0 DHADHO CC[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423221238 1027463363 /nfs/dbraw/zinc/46/33/63/1027463363.db2.gz ZLZPPWRPMRJKOE-FOIQADDNSA-N 1 3 312.457 3.889 20 0 DHADHO Cc1ccc(-c2nc3c(s2)[C@@H](NCC[C@H](C)[NH3+])CCC3)cc1 ZINC000423227248 1027464585 /nfs/dbraw/zinc/46/45/85/1027464585.db2.gz VBEOAMAGVIBUFW-ZFWWWQNUSA-N 1 3 315.486 3.823 20 0 DHADHO CCc1nc(C)c([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000423292429 1027486440 /nfs/dbraw/zinc/48/64/40/1027486440.db2.gz MYJHCFYWGPLKIM-VXGBXAGGSA-N 1 3 303.475 3.884 20 0 DHADHO CCc1nc(C)c([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000423292426 1027486857 /nfs/dbraw/zinc/48/68/57/1027486857.db2.gz MYJHCFYWGPLKIM-NEPJUHHUSA-N 1 3 303.475 3.884 20 0 DHADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000423310715 1027497399 /nfs/dbraw/zinc/49/73/99/1027497399.db2.gz AVJWDMHXSPONBY-YGRLFVJLSA-N 1 3 318.408 3.729 20 0 DHADHO C[C@H](C[NH3+])CN[C@H](Cc1ccccc1Cl)c1cccs1 ZINC000423316372 1027500467 /nfs/dbraw/zinc/50/04/67/1027500467.db2.gz ZZGMHUMXPSLCQM-IUODEOHRSA-N 1 3 308.878 3.870 20 0 DHADHO COc1cc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)ccc1F ZINC000423293853 1027503298 /nfs/dbraw/zinc/50/32/98/1027503298.db2.gz SFYKVNYJOQTTIJ-STQMWFEESA-N 1 3 302.393 3.705 20 0 DHADHO CCCC[C@H](C[NH3+])N[C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423297556 1027503571 /nfs/dbraw/zinc/50/35/71/1027503571.db2.gz KVBPLHHSSDZPRJ-HZSPNIEDSA-N 1 3 305.491 3.895 20 0 DHADHO CCC[C@@H]([NH2+]C[C@H](N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423323856 1027508481 /nfs/dbraw/zinc/50/84/81/1027508481.db2.gz PADBTSIMZZZPAG-LSDHHAIUSA-N 1 3 300.368 3.874 20 0 DHADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(OCc2ccccc2)cc1 ZINC000423333494 1027513658 /nfs/dbraw/zinc/51/36/58/1027513658.db2.gz RUYLHNSCIYLPKN-INIZCTEOSA-N 1 3 310.441 3.798 20 0 DHADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1nccc2ccccc21 ZINC000423366021 1027523210 /nfs/dbraw/zinc/52/32/10/1027523210.db2.gz BLCOEAABPBKPIN-AWEZNQCLSA-N 1 3 303.409 3.689 20 0 DHADHO C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)cc1 ZINC000423365460 1027524020 /nfs/dbraw/zinc/52/40/20/1027524020.db2.gz BUDOOVHMWXKHDZ-NYESILLDSA-N 1 3 316.489 3.693 20 0 DHADHO CC[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc2cc(OC)ccc2c1 ZINC000423391344 1027531345 /nfs/dbraw/zinc/53/13/45/1027531345.db2.gz KWUILEVVYZOHNS-VOBQZIQPSA-N 1 3 312.457 3.887 20 0 DHADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)[C@H](C)N)s2)cc1 ZINC000423447068 1027542814 /nfs/dbraw/zinc/54/28/14/1027542814.db2.gz OTISLZINKLZKNF-TUAOUCFPSA-N 1 3 319.474 3.513 20 0 DHADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)[C@H](C)N)s2)cc1 ZINC000423447067 1027545076 /nfs/dbraw/zinc/54/50/76/1027545076.db2.gz OTISLZINKLZKNF-SRVKXCTJSA-N 1 3 319.474 3.513 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423452407 1027548373 /nfs/dbraw/zinc/54/83/73/1027548373.db2.gz WFJFAHHTNOVJMJ-KKUMJFAQSA-N 1 3 316.420 3.791 20 0 DHADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423483438 1027570268 /nfs/dbraw/zinc/57/02/68/1027570268.db2.gz XUPQHKVQESNDOR-PWSUYJOCSA-N 1 3 306.397 3.729 20 0 DHADHO Cc1cc(N)cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000423485642 1027570430 /nfs/dbraw/zinc/57/04/30/1027570430.db2.gz VKEQPKKPTSSMRM-UWJYYQICSA-N 1 3 323.484 3.577 20 0 DHADHO Cc1cc(N)cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000423485642 1027570441 /nfs/dbraw/zinc/57/04/41/1027570441.db2.gz VKEQPKKPTSSMRM-UWJYYQICSA-N 1 3 323.484 3.577 20 0 DHADHO Fc1cccc([C@@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000576166533 1027575095 /nfs/dbraw/zinc/57/50/95/1027575095.db2.gz RTFMUZITZMUJFD-FQEVSTJZSA-N 1 3 310.416 3.809 20 0 DHADHO CCc1ccc([C@@H](NCC2CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000924965098 1027603674 /nfs/dbraw/zinc/60/36/74/1027603674.db2.gz VUFFHVQBOLBQML-OAQYLSRUSA-N 1 3 323.484 3.665 20 0 DHADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2c1C ZINC000577131655 1027713974 /nfs/dbraw/zinc/71/39/74/1027713974.db2.gz WEAFVCDCVBTHID-YVWKXTFCSA-N 1 3 311.473 3.747 20 0 DHADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2c1C ZINC000577131655 1027713990 /nfs/dbraw/zinc/71/39/90/1027713990.db2.gz WEAFVCDCVBTHID-YVWKXTFCSA-N 1 3 311.473 3.747 20 0 DHADHO C[NH+](C)CC1CCC(NCc2c(F)ccc(F)c2Cl)CC1 ZINC000527681192 1027842036 /nfs/dbraw/zinc/84/20/36/1027842036.db2.gz IKILSLYSQGHDCY-UHFFFAOYSA-N 1 3 316.823 3.828 20 0 DHADHO CC1(C)[C@@H]2C[C@@H]([NH2+]C3CCN(C[C@@H]4CC=CCC4)CC3)C[C@@H]21 ZINC001170739089 1028005156 /nfs/dbraw/zinc/00/51/56/1028005156.db2.gz NWXBJDXNIJHLIL-OWYHZJEWSA-N 1 3 302.506 3.831 20 0 DHADHO Cc1ncccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000527989313 1028013853 /nfs/dbraw/zinc/01/38/53/1028013853.db2.gz XOQOIDZZWWTQRT-WKCHPHFGSA-N 1 3 321.468 3.675 20 0 DHADHO COc1cccc2c(C[N@@H+]3CC[C@@H]4[C@H](CCCN4C)C3)cccc12 ZINC000449044366 1028307957 /nfs/dbraw/zinc/30/79/57/1028307957.db2.gz DIZQBJPHACDUNV-YLJYHZDGSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(C[N@H+]3CC[C@@H]4[C@H](CCCN4C)C3)cccc12 ZINC000449044366 1028307974 /nfs/dbraw/zinc/30/79/74/1028307974.db2.gz DIZQBJPHACDUNV-YLJYHZDGSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cccc12 ZINC000449044366 1028307987 /nfs/dbraw/zinc/30/79/87/1028307987.db2.gz DIZQBJPHACDUNV-YLJYHZDGSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cccc12 ZINC000449044366 1028308002 /nfs/dbraw/zinc/30/80/02/1028308002.db2.gz DIZQBJPHACDUNV-YLJYHZDGSA-N 1 3 324.468 3.765 20 0 DHADHO C1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C2(C1)CCOCC2 ZINC000368524482 1028366783 /nfs/dbraw/zinc/36/67/83/1028366783.db2.gz BDKOEWJNEWFRKH-IBGZPJMESA-N 1 3 320.521 3.722 20 0 DHADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCCC34CCC4)C2)cc1 ZINC000449120116 1028372411 /nfs/dbraw/zinc/37/24/11/1028372411.db2.gz BQZMDJCRBWTSGI-WOJBJXKFSA-N 1 3 312.501 3.863 20 0 DHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000449110724 1028392936 /nfs/dbraw/zinc/39/29/36/1028392936.db2.gz GGWKBDCJRYTKOY-QGZVFWFLSA-N 1 3 324.468 3.577 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000449214318 1028447825 /nfs/dbraw/zinc/44/78/25/1028447825.db2.gz YECJZXXQCDWHDE-ZWKOTPCHSA-N 1 3 322.537 3.823 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccccc1)c1cncc(F)c1 ZINC000369854750 1028537752 /nfs/dbraw/zinc/53/77/52/1028537752.db2.gz ZVWBRAZLDHFANZ-GMBSWORKSA-N 1 3 313.420 3.564 20 0 DHADHO c1ccc2c(c1)nccc2C1CC[NH+](CCCN2CCCC2)CC1 ZINC000565164706 1028551649 /nfs/dbraw/zinc/55/16/49/1028551649.db2.gz OXLODFCPZADTTC-UHFFFAOYSA-N 1 3 323.484 3.900 20 0 DHADHO COC1(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCCC1 ZINC000449348748 1028562640 /nfs/dbraw/zinc/56/26/40/1028562640.db2.gz VHBGNJSVOOSJAC-AEFFLSMTSA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)(C)c1csc(CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)n1 ZINC000566004111 1028665700 /nfs/dbraw/zinc/66/57/00/1028665700.db2.gz RNFLGGWNJVBOKC-LSDHHAIUSA-N 1 3 315.486 3.718 20 0 DHADHO C[C@@H]1C[C@H](N[C@H](c2cccnc2)C2CCCCC2)CC[N@@H+]1C ZINC000372064465 1028801708 /nfs/dbraw/zinc/80/17/08/1028801708.db2.gz DUFMAYYJJNUTQL-LZQZEXGQSA-N 1 3 301.478 3.775 20 0 DHADHO C[C@@H]1C[C@H](N[C@H](c2cccnc2)C2CCCCC2)CC[N@H+]1C ZINC000372064465 1028801722 /nfs/dbraw/zinc/80/17/22/1028801722.db2.gz DUFMAYYJJNUTQL-LZQZEXGQSA-N 1 3 301.478 3.775 20 0 DHADHO CN1CCC[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)c2ccccc21 ZINC000449653275 1028889683 /nfs/dbraw/zinc/88/96/83/1028889683.db2.gz RSEAZTQLZXBYQR-SFHVURJKSA-N 1 3 315.505 3.810 20 0 DHADHO Cc1cc(C)c(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000449736584 1028957147 /nfs/dbraw/zinc/95/71/47/1028957147.db2.gz WBEKDYRTPBOZRL-UYAOXDASSA-N 1 3 323.484 3.699 20 0 DHADHO c1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)co1 ZINC000816619525 1028964005 /nfs/dbraw/zinc/96/40/05/1028964005.db2.gz KTABWTOTNAHLPM-UHFFFAOYSA-N 1 3 310.441 3.768 20 0 DHADHO CC[N@@H+]1CCC[C@H]1CNC/C(C)=C/c1ccccc1OC(F)F ZINC000568568399 1029093018 /nfs/dbraw/zinc/09/30/18/1029093018.db2.gz AHLMINZRXCWXCT-UKYUDJEDSA-N 1 3 324.415 3.765 20 0 DHADHO CC[N@H+]1CCC[C@H]1CNC/C(C)=C/c1ccccc1OC(F)F ZINC000568568399 1029093029 /nfs/dbraw/zinc/09/30/29/1029093029.db2.gz AHLMINZRXCWXCT-UKYUDJEDSA-N 1 3 324.415 3.765 20 0 DHADHO CSc1ccc([C@H](C)NCc2ccc(CC[NH3+])cc2)cc1F ZINC000817948976 1029290900 /nfs/dbraw/zinc/29/09/00/1029290900.db2.gz MUHOUIHOAJSWTB-ZDUSSCGKSA-N 1 3 318.461 3.900 20 0 DHADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(Cl)c(F)c1 ZINC000817947315 1029292096 /nfs/dbraw/zinc/29/20/96/1029292096.db2.gz BXHHYULTPLWLOJ-LBPRGKRZSA-N 1 3 306.812 3.831 20 0 DHADHO CC[C@@H](NCc1ccc(C[NH3+])cc1)c1ccccc1OC(F)F ZINC000570045568 1029304593 /nfs/dbraw/zinc/30/45/93/1029304593.db2.gz GMIWLUHUPCZLML-MRXNPFEDSA-N 1 3 320.383 3.988 20 0 DHADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(-c2cccs2)cc1 ZINC000629520303 1029355150 /nfs/dbraw/zinc/35/51/50/1029355150.db2.gz FZDVHMQGFOSCQS-CQSZACIVSA-N 1 3 316.470 3.574 20 0 DHADHO CC[C@H](CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629653229 1029406785 /nfs/dbraw/zinc/40/67/85/1029406785.db2.gz DEFISICHNMCISH-FVQBIDKESA-N 1 3 314.395 3.639 20 0 DHADHO FC1(F)CCCC[C@H]1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000450419978 1029465239 /nfs/dbraw/zinc/46/52/39/1029465239.db2.gz BHEMFZXLCDNPPH-HOTGVXAUSA-N 1 3 300.437 3.762 20 0 DHADHO FC1(F)CCCC[C@@H]1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000450443339 1029478945 /nfs/dbraw/zinc/47/89/45/1029478945.db2.gz VFMBZENDHNXYLJ-JKSUJKDBSA-N 1 3 300.437 3.620 20 0 DHADHO FC1(F)CCCC[C@@H]1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000450443338 1029479452 /nfs/dbraw/zinc/47/94/52/1029479452.db2.gz VFMBZENDHNXYLJ-HZPDHXFCSA-N 1 3 300.437 3.620 20 0 DHADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NCC1([NH3+])CCCC1 ZINC001246077128 1029724465 /nfs/dbraw/zinc/72/44/65/1029724465.db2.gz TXZHDALFGCUMPF-NSHDSACASA-N 1 3 301.261 3.786 20 0 DHADHO Fc1cccc2c1C[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC001170960342 1029821295 /nfs/dbraw/zinc/82/12/95/1029821295.db2.gz CUFYMAMETCLBNP-QGZVFWFLSA-N 1 3 316.464 3.680 20 0 DHADHO CCC(CC)N1CCC([NH2+][C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170976730 1029945815 /nfs/dbraw/zinc/94/58/15/1029945815.db2.gz WWOCQSDBGGABQA-QGZVFWFLSA-N 1 3 318.480 3.926 20 0 DHADHO CCC(CC)[NH+]1CCC(N[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170976730 1029945835 /nfs/dbraw/zinc/94/58/35/1029945835.db2.gz WWOCQSDBGGABQA-QGZVFWFLSA-N 1 3 318.480 3.926 20 0 DHADHO CC(C)CCN1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000924855428 1030208092 /nfs/dbraw/zinc/20/80/92/1030208092.db2.gz JQOYOLKZKRAGTL-UHFFFAOYSA-N 1 3 311.473 3.835 20 0 DHADHO Cc1cc(C)cc([C@H](NCC2CC[NH+](C)CC2)c2cccnc2)c1 ZINC000924964186 1030236645 /nfs/dbraw/zinc/23/66/45/1030236645.db2.gz OZSJNQGJRAUWQW-OAQYLSRUSA-N 1 3 323.484 3.719 20 0 DHADHO Cc1cccc2c1ncc(C)c2N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000557713213 1030257207 /nfs/dbraw/zinc/25/72/07/1030257207.db2.gz FAIPBUTWOFUMRC-SJPCQFCGSA-N 1 3 309.457 3.913 20 0 DHADHO Cc1cccc2c1ncc(C)c2N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000557713213 1030257216 /nfs/dbraw/zinc/25/72/16/1030257216.db2.gz FAIPBUTWOFUMRC-SJPCQFCGSA-N 1 3 309.457 3.913 20 0 DHADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925536715 1030393032 /nfs/dbraw/zinc/39/30/32/1030393032.db2.gz QPIYARMKYNPYTN-UGUYLWEFSA-N 1 3 318.427 3.865 20 0 DHADHO CC[NH+]1CCC(N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000866606973 1030395364 /nfs/dbraw/zinc/39/53/64/1030395364.db2.gz MCAUGPCPTLBKTF-MSOLQXFVSA-N 1 3 322.880 3.634 20 0 DHADHO CCOCCC1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCCC1 ZINC000925556129 1030401057 /nfs/dbraw/zinc/40/10/57/1030401057.db2.gz KLTDBXSPADSEHX-RBUKOAKNSA-N 1 3 322.537 3.731 20 0 DHADHO [NH3+]CCC[C@H](N[C@@H]1CCOc2c(F)cccc21)c1ccccc1 ZINC000925604122 1030418559 /nfs/dbraw/zinc/41/85/59/1030418559.db2.gz HVBMINYNVIBOLE-ZWKOTPCHSA-N 1 3 314.404 3.719 20 0 DHADHO [NH3+]CCC[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccccc1 ZINC000925645869 1030433022 /nfs/dbraw/zinc/43/30/22/1030433022.db2.gz UHOHLHBTTRFSEL-QZTJIDSGSA-N 1 3 314.404 3.719 20 0 DHADHO FC1(F)CCC[C@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925661929 1030446452 /nfs/dbraw/zinc/44/64/52/1030446452.db2.gz FQPOYGRKEVYNHC-IMJJTQAJSA-N 1 3 300.437 3.570 20 0 DHADHO COc1cc(F)cc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000925676932 1030449970 /nfs/dbraw/zinc/44/99/70/1030449970.db2.gz UTEJMZWQWAKNPG-CQSZACIVSA-N 1 3 316.420 3.747 20 0 DHADHO c1ccc2c(CC[NH2+][C@@H]3CCNC[C@H]3C3CCCC3)ccnc2c1 ZINC000925705095 1030458575 /nfs/dbraw/zinc/45/85/75/1030458575.db2.gz JJKCJCDYADNYFF-PZJWPPBQSA-N 1 3 323.484 3.535 20 0 DHADHO CC[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)CC(F)(F)F ZINC000925700182 1030458866 /nfs/dbraw/zinc/45/88/66/1030458866.db2.gz ZYARTAHEKQRGCO-NWANDNLSSA-N 1 3 306.416 3.723 20 0 DHADHO CCC1([NH3+])CCN([C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000925757458 1030483259 /nfs/dbraw/zinc/48/32/59/1030483259.db2.gz HDEQLHZPWCLRNB-QZTJIDSGSA-N 1 3 316.489 3.574 20 0 DHADHO N[C@H]1C[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c2ccccc21 ZINC000925838697 1030516916 /nfs/dbraw/zinc/51/69/16/1030516916.db2.gz NPPLSQOWZLKKOL-VSZNYVQBSA-N 1 3 314.379 3.770 20 0 DHADHO CC(C)[N@H+](CCCN)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063227 1030620227 /nfs/dbraw/zinc/62/02/27/1030620227.db2.gz MIXGAMROQUHQJM-CQSZACIVSA-N 1 3 315.288 3.910 20 0 DHADHO CC(C)[N@@H+](CCCN)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063227 1030620229 /nfs/dbraw/zinc/62/02/29/1030620229.db2.gz MIXGAMROQUHQJM-CQSZACIVSA-N 1 3 315.288 3.910 20 0 DHADHO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1OC ZINC000246809368 1030653572 /nfs/dbraw/zinc/65/35/72/1030653572.db2.gz ABZSBOPLUIDXPU-ARFHVFGLSA-N 1 3 320.477 3.536 20 0 DHADHO CC(C)CCN1CCC([NH2+]CCC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000926371091 1030715523 /nfs/dbraw/zinc/71/55/23/1030715523.db2.gz IOBHXYCPJCYEQC-IRXDYDNUSA-N 1 3 310.526 3.680 20 0 DHADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926573579 1030803407 /nfs/dbraw/zinc/80/34/07/1030803407.db2.gz NTUNMFKHUSUWMO-JKSUJKDBSA-N 1 3 313.445 3.724 20 0 DHADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926573579 1030803431 /nfs/dbraw/zinc/80/34/31/1030803431.db2.gz NTUNMFKHUSUWMO-JKSUJKDBSA-N 1 3 313.445 3.724 20 0 DHADHO CC(C)CCN1CCC([NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000926652836 1030841934 /nfs/dbraw/zinc/84/19/34/1030841934.db2.gz YQPBKEPHKDMBGU-HOTGVXAUSA-N 1 3 304.881 3.791 20 0 DHADHO CC(C)(C)[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000926694992 1030865249 /nfs/dbraw/zinc/86/52/49/1030865249.db2.gz XJVXOQGNJIKCKW-LJQANCHMSA-N 1 3 315.505 3.708 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000252802302 1030925887 /nfs/dbraw/zinc/92/58/87/1030925887.db2.gz LBZPVTDAEHCOAU-NHCUHLMSSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000252802302 1030925890 /nfs/dbraw/zinc/92/58/90/1030925890.db2.gz LBZPVTDAEHCOAU-NHCUHLMSSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000252802302 1030925900 /nfs/dbraw/zinc/92/59/00/1030925900.db2.gz LBZPVTDAEHCOAU-NHCUHLMSSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4cccnc4)c3)CC[C@H]21 ZINC000252802302 1030925910 /nfs/dbraw/zinc/92/59/10/1030925910.db2.gz LBZPVTDAEHCOAU-NHCUHLMSSA-N 1 3 321.468 3.665 20 0 DHADHO Cc1cc2c(cc1C)[C@H]([NH2+]CC(C)(C)CN(C)C)CCCO2 ZINC000359359079 1030927603 /nfs/dbraw/zinc/92/76/03/1030927603.db2.gz BGPBKJNEJAXTAZ-QGZVFWFLSA-N 1 3 304.478 3.695 20 0 DHADHO CCCN1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000161602485 1030930687 /nfs/dbraw/zinc/93/06/87/1030930687.db2.gz YVDBRZIEGWUVJC-KRWDZBQOSA-N 1 3 306.425 3.503 20 0 DHADHO CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccccc1OC(F)F ZINC000359373604 1030932467 /nfs/dbraw/zinc/93/24/67/1030932467.db2.gz URPLUKFRJUCQTF-AWEZNQCLSA-N 1 3 314.420 3.917 20 0 DHADHO C[C@H](c1cccnc1)N(C)C/C=C\C[N@H+](C)[C@H](C)c1cccnc1 ZINC000255028179 1030978384 /nfs/dbraw/zinc/97/83/84/1030978384.db2.gz UDIBLNITAQSNPI-OSFIAYCASA-N 1 3 324.472 3.719 20 0 DHADHO C[C@H](c1cccnc1)N(C)C/C=C\C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000255028179 1030978397 /nfs/dbraw/zinc/97/83/97/1030978397.db2.gz UDIBLNITAQSNPI-OSFIAYCASA-N 1 3 324.472 3.719 20 0 DHADHO C[C@@H](NC1CCC(C)([NH+]2CCC2)CC1)c1cccnc1Cl ZINC000927037826 1031045722 /nfs/dbraw/zinc/04/57/22/1031045722.db2.gz LASCZPCKURNYKM-TUBUQKNSSA-N 1 3 307.869 3.793 20 0 DHADHO NCC[N@H+](CCc1ccccc1)Cc1ccc(C(F)F)cc1 ZINC000261956006 1031080597 /nfs/dbraw/zinc/08/05/97/1031080597.db2.gz GPYIXONEKREIQC-UHFFFAOYSA-N 1 3 304.384 3.628 20 0 DHADHO NCC[N@@H+](CCc1ccccc1)Cc1ccc(C(F)F)cc1 ZINC000261956006 1031080609 /nfs/dbraw/zinc/08/06/09/1031080609.db2.gz GPYIXONEKREIQC-UHFFFAOYSA-N 1 3 304.384 3.628 20 0 DHADHO CC[C@@H]1CC[C@H](C)N1CC1(C[N@@H+]2[C@H](C)CC[C@@H]2CC)COC1 ZINC000360213617 1031327587 /nfs/dbraw/zinc/32/75/87/1031327587.db2.gz QCLGMSLXYVKBMO-FZDBZEDMSA-N 1 3 308.510 3.529 20 0 DHADHO CC[C@@H]1CC[C@H](C)N1CC1(C[N@H+]2[C@H](C)CC[C@@H]2CC)COC1 ZINC000360213617 1031327606 /nfs/dbraw/zinc/32/76/06/1031327606.db2.gz QCLGMSLXYVKBMO-FZDBZEDMSA-N 1 3 308.510 3.529 20 0 DHADHO CC[C@@H]1CC[C@H](C)[N@H+]1CC1(CN2[C@H](C)CC[C@@H]2CC)COC1 ZINC000360213617 1031327627 /nfs/dbraw/zinc/32/76/27/1031327627.db2.gz QCLGMSLXYVKBMO-FZDBZEDMSA-N 1 3 308.510 3.529 20 0 DHADHO CC[C@@H]1CC[C@H](C)[N@@H+]1CC1(CN2[C@H](C)CC[C@@H]2CC)COC1 ZINC000360213617 1031327638 /nfs/dbraw/zinc/32/76/38/1031327638.db2.gz QCLGMSLXYVKBMO-FZDBZEDMSA-N 1 3 308.510 3.529 20 0 DHADHO C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cccc([O-])c1F ZINC000872042342 1031427946 /nfs/dbraw/zinc/42/79/46/1031427946.db2.gz NRDWIMHGRMYOHP-QQFBHYJXSA-N 1 3 320.452 3.979 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CN[C@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536956983 1031481154 /nfs/dbraw/zinc/48/11/54/1031481154.db2.gz AHQMZFDQEJELMR-KXBFYZLASA-N 1 3 304.453 3.907 20 0 DHADHO CCC[N@H+]1CC[C@@H](CN[C@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536956983 1031481163 /nfs/dbraw/zinc/48/11/63/1031481163.db2.gz AHQMZFDQEJELMR-KXBFYZLASA-N 1 3 304.453 3.907 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(OC(F)F)cc1 ZINC000537017059 1031484748 /nfs/dbraw/zinc/48/47/48/1031484748.db2.gz GRUACDOUBNAWLY-ZFWWWQNUSA-N 1 3 312.404 3.813 20 0 DHADHO CN(CCCCCC[NH3+])Cc1c(Cl)ccc2cccnc21 ZINC000872155852 1031535623 /nfs/dbraw/zinc/53/56/23/1031535623.db2.gz YKXMHCRGLXWHSG-UHFFFAOYSA-N 1 3 305.853 3.839 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)CN(C)C ZINC000293634810 1031548728 /nfs/dbraw/zinc/54/87/28/1031548728.db2.gz KKZFOBQPDKHFHO-MCIONIFRSA-N 1 3 305.491 3.576 20 0 DHADHO C[C@H](CN[C@@H](C)[C@@H](C)c1nc2ccccc2s1)C[NH+](C)C ZINC000293634810 1031548740 /nfs/dbraw/zinc/54/87/40/1031548740.db2.gz KKZFOBQPDKHFHO-MCIONIFRSA-N 1 3 305.491 3.576 20 0 DHADHO N[C@H](CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000873234523 1031768079 /nfs/dbraw/zinc/76/80/79/1031768079.db2.gz FWAAAJJRSQBZKN-OAGGEKHMSA-N 1 3 314.395 3.657 20 0 DHADHO CC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000643521513 1033331559 /nfs/dbraw/zinc/33/15/59/1033331559.db2.gz NQCBQLIUTYKKML-HUUCEWRRSA-N 1 3 311.267 3.632 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1cccc(OC(F)F)c1 ZINC000539219471 1033303187 /nfs/dbraw/zinc/30/31/87/1033303187.db2.gz NJLZSHMJSXDVDS-DZGCQCFKSA-N 1 3 312.404 3.813 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172709173 1033345043 /nfs/dbraw/zinc/34/50/43/1033345043.db2.gz UCJPBCLQTHBCIM-ZRGWGRIASA-N 1 3 320.908 3.765 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172709173 1033345056 /nfs/dbraw/zinc/34/50/56/1033345056.db2.gz UCJPBCLQTHBCIM-ZRGWGRIASA-N 1 3 320.908 3.765 20 0 DHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172709170 1033345649 /nfs/dbraw/zinc/34/56/49/1033345649.db2.gz UCJPBCLQTHBCIM-CLCXKQKWSA-N 1 3 320.908 3.765 20 0 DHADHO CC[C@H]1C[C@H](CN2CCC(CC)([NH+]3CCCC3)CC2)CCO1 ZINC000877675056 1033408472 /nfs/dbraw/zinc/40/84/72/1033408472.db2.gz VBMAJCJGEDVGAL-MSOLQXFVSA-N 1 3 308.510 3.532 20 0 DHADHO CC(C)c1ncc(CN2CCC3(CC2)CC[NH+](C)CC3)s1 ZINC000877684121 1033410790 /nfs/dbraw/zinc/41/07/90/1033410790.db2.gz HCTXXSXVBRGQPK-UHFFFAOYSA-N 1 3 307.507 3.574 20 0 DHADHO CC(C)C[N@@H+]1CC[C@H](N[C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844028 1033414432 /nfs/dbraw/zinc/41/44/32/1033414432.db2.gz AMRLCLGKKULLTF-KGLIPLIRSA-N 1 3 312.860 3.730 20 0 DHADHO CC(C)C[N@H+]1CC[C@H](N[C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844028 1033414449 /nfs/dbraw/zinc/41/44/49/1033414449.db2.gz AMRLCLGKKULLTF-KGLIPLIRSA-N 1 3 312.860 3.730 20 0 DHADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001172859410 1033428866 /nfs/dbraw/zinc/42/88/66/1033428866.db2.gz JRDFJGYNWZGFQA-UHOFOFEASA-N 1 3 312.860 3.873 20 0 DHADHO CC(C)N(CCC[NH3+])[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172874822 1033446249 /nfs/dbraw/zinc/44/62/49/1033446249.db2.gz IYKLRXAQYOOOJQ-ZDUSSCGKSA-N 1 3 300.899 3.880 20 0 DHADHO Cc1cccc([C@@H](N[C@@H]2CC23CC[NH2+]CC3)c2cccc(F)c2)c1 ZINC000643536216 1033474494 /nfs/dbraw/zinc/47/44/94/1033474494.db2.gz OIWPUYSBNZPFNO-WOJBJXKFSA-N 1 3 324.443 3.955 20 0 DHADHO CN(CCCOc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000478547603 1033506645 /nfs/dbraw/zinc/50/66/45/1033506645.db2.gz HVLDOHKTTWEWGD-LJQANCHMSA-N 1 3 312.457 3.683 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1OC(F)F ZINC000152452323 1033524975 /nfs/dbraw/zinc/52/49/75/1033524975.db2.gz KFTLBNKEKOAYHL-BBRMVZONSA-N 1 3 324.415 3.813 20 0 DHADHO CCCOC1CCC([NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC001173095065 1033526438 /nfs/dbraw/zinc/52/64/38/1033526438.db2.gz HAKNGIDZBHPCBI-UHFFFAOYSA-N 1 3 308.510 3.675 20 0 DHADHO CC[NH+](CC)C1CCC(N(C)Cc2cnc(Cl)s2)CC1 ZINC001173109657 1033546320 /nfs/dbraw/zinc/54/63/20/1033546320.db2.gz JBJIPUBSRVHJRX-UHFFFAOYSA-N 1 3 315.914 3.881 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000153514936 1033582194 /nfs/dbraw/zinc/58/21/94/1033582194.db2.gz ZLRCXPKTCPDPAQ-QFBILLFUSA-N 1 3 316.489 3.634 20 0 DHADHO CC[C@@H]1CC[C@H](N2CCC([NH3+])(c3ccc(OC)cc3)CC2)C1 ZINC001173273955 1033643470 /nfs/dbraw/zinc/64/34/70/1033643470.db2.gz HWJYMQXOXFUMAV-WBVHZDCISA-N 1 3 302.462 3.524 20 0 DHADHO [NH3+][C@H]1CCN(Cc2ccc(Cc3ccccc3)cc2)CC[C@H]1F ZINC001206199070 1033723014 /nfs/dbraw/zinc/72/30/14/1033723014.db2.gz NQPXAHZGZXETNU-UXHICEINSA-N 1 3 312.432 3.539 20 0 DHADHO CC(C)[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(F)ccc1F ZINC000479362356 1033737888 /nfs/dbraw/zinc/73/78/88/1033737888.db2.gz OTMSGLLSTKHDQZ-SCLBCKFNSA-N 1 3 308.416 3.736 20 0 DHADHO Cc1ncsc1-c1ccc(C[N@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000667628363 1034098834 /nfs/dbraw/zinc/09/88/34/1034098834.db2.gz CBIWVFSYKAVONU-MRXNPFEDSA-N 1 3 315.486 3.502 20 0 DHADHO Cc1ncsc1-c1ccc(C[N@@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000667628363 1034098848 /nfs/dbraw/zinc/09/88/48/1034098848.db2.gz CBIWVFSYKAVONU-MRXNPFEDSA-N 1 3 315.486 3.502 20 0 DHADHO CCOc1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c(C)c1 ZINC000667666312 1034210345 /nfs/dbraw/zinc/21/03/45/1034210345.db2.gz JDNRYFYQXUIIRV-VQIMIIECSA-N 1 3 304.478 3.556 20 0 DHADHO CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c(C)c1 ZINC000667666312 1034210363 /nfs/dbraw/zinc/21/03/63/1034210363.db2.gz JDNRYFYQXUIIRV-VQIMIIECSA-N 1 3 304.478 3.556 20 0 DHADHO Cc1cnccc1Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001174538811 1034452945 /nfs/dbraw/zinc/45/29/45/1034452945.db2.gz ROIHZWVEFFZIBI-FQEVSTJZSA-N 1 3 321.468 3.899 20 0 DHADHO CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000554981417 1034453701 /nfs/dbraw/zinc/45/37/01/1034453701.db2.gz COLRLFHWBKGCDM-UYAOXDASSA-N 1 3 318.505 3.692 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](CCc2ccccc2)C(C)C)C1 ZINC000481016739 1034550886 /nfs/dbraw/zinc/55/08/86/1034550886.db2.gz BITXTXRVNABKRP-UXHICEINSA-N 1 3 302.506 3.965 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)C1 ZINC000481026886 1034561481 /nfs/dbraw/zinc/56/14/81/1034561481.db2.gz USUDYNHQRXQPLR-WOJBJXKFSA-N 1 3 302.506 3.884 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)C1 ZINC000481055972 1034570847 /nfs/dbraw/zinc/57/08/47/1034570847.db2.gz UWYYAJQTNVDPHF-IEBWSBKVSA-N 1 3 306.469 3.714 20 0 DHADHO Cc1cccc(CCCN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000481108711 1034597672 /nfs/dbraw/zinc/59/76/72/1034597672.db2.gz NSYDRIZMOJSASH-HXUWFJFHSA-N 1 3 300.490 3.878 20 0 DHADHO Cc1cccc(CCCN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000481120579 1034603400 /nfs/dbraw/zinc/60/34/00/1034603400.db2.gz SIZAZEMSZHGZHA-HXUWFJFHSA-N 1 3 300.490 3.591 20 0 DHADHO Cc1cccc(CCCN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000481120579 1034603412 /nfs/dbraw/zinc/60/34/12/1034603412.db2.gz SIZAZEMSZHGZHA-HXUWFJFHSA-N 1 3 300.490 3.591 20 0 DHADHO CC[NH+]1CCC(CCNCc2nc(C(C)(C)C)cs2)CC1 ZINC000865475541 1034664348 /nfs/dbraw/zinc/66/43/48/1034664348.db2.gz CTVFLLMSZHBICI-UHFFFAOYSA-N 1 3 309.523 3.652 20 0 DHADHO C[C@@H](Cc1ccccc1)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000482014524 1035042733 /nfs/dbraw/zinc/04/27/33/1035042733.db2.gz GRUILQNJTONWJE-FXAWDEMLSA-N 1 3 300.490 3.529 20 0 DHADHO C[C@@H](Cc1ccccc1)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000482014524 1035042745 /nfs/dbraw/zinc/04/27/45/1035042745.db2.gz GRUILQNJTONWJE-FXAWDEMLSA-N 1 3 300.490 3.529 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000482314671 1035083338 /nfs/dbraw/zinc/08/33/38/1035083338.db2.gz FFWCMJGUBRCNQR-CLCXKQKWSA-N 1 3 304.453 3.769 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000482354675 1035086060 /nfs/dbraw/zinc/08/60/60/1035086060.db2.gz GCPLMYYXWCIRPA-IRXDYDNUSA-N 1 3 300.490 3.946 20 0 DHADHO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000668159540 1035199051 /nfs/dbraw/zinc/19/90/51/1035199051.db2.gz ZFIWETAORRWYFU-WMZOPIPTSA-N 1 3 308.897 3.981 20 0 DHADHO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000668159537 1035199074 /nfs/dbraw/zinc/19/90/74/1035199074.db2.gz ZFIWETAORRWYFU-AEFFLSMTSA-N 1 3 308.897 3.981 20 0 DHADHO CCOc1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924783070 1035218713 /nfs/dbraw/zinc/21/87/13/1035218713.db2.gz DHQMZCJNFCMENI-INIZCTEOSA-N 1 3 312.457 3.998 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2sccc2C)[C@@H](C)C1 ZINC000483135392 1035232583 /nfs/dbraw/zinc/23/25/83/1035232583.db2.gz OZFHCZVWYRTEMX-ULQDDVLXSA-N 1 3 324.534 3.844 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2sccc2C)[C@@H](C)C1 ZINC000483135392 1035232587 /nfs/dbraw/zinc/23/25/87/1035232587.db2.gz OZFHCZVWYRTEMX-ULQDDVLXSA-N 1 3 324.534 3.844 20 0 DHADHO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c1 ZINC000483174230 1035235078 /nfs/dbraw/zinc/23/50/78/1035235078.db2.gz FIBPYKGCEQUUKV-KDOFPFPSSA-N 1 3 322.493 3.721 20 0 DHADHO COc1cccc(-c2ccc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)c1 ZINC000483717221 1035292144 /nfs/dbraw/zinc/29/21/44/1035292144.db2.gz YWHMAWYHHNFNHH-IIBYNOLFSA-N 1 3 324.468 3.792 20 0 DHADHO COc1cccc(-c2ccc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)c1 ZINC000483717221 1035292148 /nfs/dbraw/zinc/29/21/48/1035292148.db2.gz YWHMAWYHHNFNHH-IIBYNOLFSA-N 1 3 324.468 3.792 20 0 DHADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484354983 1035332217 /nfs/dbraw/zinc/33/22/17/1035332217.db2.gz RTHFRAUKUIGEKI-KGLIPLIRSA-N 1 3 306.416 3.771 20 0 DHADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484354983 1035332220 /nfs/dbraw/zinc/33/22/20/1035332220.db2.gz RTHFRAUKUIGEKI-KGLIPLIRSA-N 1 3 306.416 3.771 20 0 DHADHO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000484473811 1035343216 /nfs/dbraw/zinc/34/32/16/1035343216.db2.gz ZIVKMHNKGMAUJT-JQHSSLGASA-N 1 3 304.478 3.997 20 0 DHADHO COc1ccccc1[C@@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904384316 1035409855 /nfs/dbraw/zinc/40/98/55/1035409855.db2.gz INWGHZWNHUPVHJ-XLIONFOSSA-N 1 3 316.489 3.654 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NC2(c3cccc(Br)c3)CCC2)C1 ZINC000568781960 1035474409 /nfs/dbraw/zinc/47/44/09/1035474409.db2.gz BUWMEZXMCDDYGD-LSDHHAIUSA-N 1 3 323.278 3.688 20 0 DHADHO CCOC[C@H](NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000189346242 1035524762 /nfs/dbraw/zinc/52/47/62/1035524762.db2.gz AORZJCMCRQLXOX-WDSOQIARSA-N 1 3 310.526 3.680 20 0 DHADHO CCOC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000189346242 1035524769 /nfs/dbraw/zinc/52/47/69/1035524769.db2.gz AORZJCMCRQLXOX-WDSOQIARSA-N 1 3 310.526 3.680 20 0 DHADHO CN(Cc1cccs1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204266949 1035655803 /nfs/dbraw/zinc/65/58/03/1035655803.db2.gz BVHFGUIDFFKSCF-UHFFFAOYSA-N 1 3 318.486 3.711 20 0 DHADHO Cc1c([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)cnn1C(C)C ZINC000191293438 1035677903 /nfs/dbraw/zinc/67/79/03/1035677903.db2.gz JBMYONVELIXSPT-YOEHRIQHSA-N 1 3 308.514 3.789 20 0 DHADHO CC(C)C[C@@H](C)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000668513531 1035722796 /nfs/dbraw/zinc/72/27/96/1035722796.db2.gz SXSMJUKHUSOHMT-QGZVFWFLSA-N 1 3 303.494 3.565 20 0 DHADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000539507108 1035754886 /nfs/dbraw/zinc/75/48/86/1035754886.db2.gz CUIODOUCKBVJRW-LBPRGKRZSA-N 1 3 304.821 3.999 20 0 DHADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000539507108 1035754901 /nfs/dbraw/zinc/75/49/01/1035754901.db2.gz CUIODOUCKBVJRW-LBPRGKRZSA-N 1 3 304.821 3.999 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCCNc2ccccc21)CN1CCCCC1 ZINC000192704064 1035809051 /nfs/dbraw/zinc/80/90/51/1035809051.db2.gz MZBGYMXFWNUDTQ-APWZRJJASA-N 1 3 301.478 3.645 20 0 DHADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000494747520 1035852547 /nfs/dbraw/zinc/85/25/47/1035852547.db2.gz ICXKUDPFWAKKAL-SCTDSRPQSA-N 1 3 304.478 3.617 20 0 DHADHO Cc1ccccc1-c1ccccc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001181324427 1035891029 /nfs/dbraw/zinc/89/10/29/1035891029.db2.gz QOXAZCUFXXSIKQ-KDURUIRLSA-N 1 3 306.453 3.655 20 0 DHADHO Cc1ccccc1-c1ccccc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001181324427 1035891034 /nfs/dbraw/zinc/89/10/34/1035891034.db2.gz QOXAZCUFXXSIKQ-KDURUIRLSA-N 1 3 306.453 3.655 20 0 DHADHO CCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC001181536134 1035934609 /nfs/dbraw/zinc/93/46/09/1035934609.db2.gz YBHJRCRQDAZXTP-WMZOPIPTSA-N 1 3 304.478 3.556 20 0 DHADHO CCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC001181536134 1035934622 /nfs/dbraw/zinc/93/46/22/1035934622.db2.gz YBHJRCRQDAZXTP-WMZOPIPTSA-N 1 3 304.478 3.556 20 0 DHADHO CCc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000540171292 1035993407 /nfs/dbraw/zinc/99/34/07/1035993407.db2.gz QHUCHUSHNSMBOB-OAGGEKHMSA-N 1 3 324.534 3.851 20 0 DHADHO CC[NH+]1CCC(N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000229320227 1036256197 /nfs/dbraw/zinc/25/61/97/1036256197.db2.gz YOEYNBLWNFHDSM-MRXNPFEDSA-N 1 3 323.278 3.510 20 0 DHADHO Clc1ccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250233589 1036259240 /nfs/dbraw/zinc/25/92/40/1036259240.db2.gz CBAYTMIUNPYFSM-STCOUPBVSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250233589 1036259251 /nfs/dbraw/zinc/25/92/51/1036259251.db2.gz CBAYTMIUNPYFSM-STCOUPBVSA-N 1 3 304.865 3.802 20 0 DHADHO C[NH+](C)CC[C@@H](NCc1cc2ccc(F)cc2[nH]1)C(C)(C)C ZINC000486686792 1036359517 /nfs/dbraw/zinc/35/95/17/1036359517.db2.gz TWXAYHCBYKOZEK-QGZVFWFLSA-N 1 3 305.441 3.763 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@@H]2CCCS2)CC1 ZINC001183123970 1036519300 /nfs/dbraw/zinc/51/93/00/1036519300.db2.gz OSVNESILUQFHSD-NJAFHUGGSA-N 1 3 310.551 3.905 20 0 DHADHO CCCC[N@H+](CC[C@@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196544814 1036566331 /nfs/dbraw/zinc/56/63/31/1036566331.db2.gz IULLZAPZLNHLSC-MRXNPFEDSA-N 1 3 310.526 3.824 20 0 DHADHO CCCC[N@@H+](CC[C@@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196544814 1036566349 /nfs/dbraw/zinc/56/63/49/1036566349.db2.gz IULLZAPZLNHLSC-MRXNPFEDSA-N 1 3 310.526 3.824 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000495413538 1036626001 /nfs/dbraw/zinc/62/60/01/1036626001.db2.gz DUFPQQCGSHOYJX-NJAFHUGGSA-N 1 3 322.537 3.965 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000495413538 1036626006 /nfs/dbraw/zinc/62/60/06/1036626006.db2.gz DUFPQQCGSHOYJX-NJAFHUGGSA-N 1 3 322.537 3.965 20 0 DHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC/C=C/c2ccncc2)CC1 ZINC000487281675 1036637541 /nfs/dbraw/zinc/63/75/41/1036637541.db2.gz YRNWSIURVWGHIQ-QWNKOJSDSA-N 1 3 321.468 3.910 20 0 DHADHO C[C@H]1CN(Cc2ccc(-c3cccc(Cl)c3)o2)C[C@H]1C[NH3+] ZINC001205136286 1036737102 /nfs/dbraw/zinc/73/71/02/1036737102.db2.gz VTJNNNAQPUGLQM-GXTWGEPZSA-N 1 3 304.821 3.627 20 0 DHADHO CCCOc1ccc(C[N@H+](C)CC(C)(C)CN(C)C)c(C)c1 ZINC001184198754 1036766771 /nfs/dbraw/zinc/76/67/71/1036766771.db2.gz ZHVITLOPLNSTBA-UHFFFAOYSA-N 1 3 306.494 3.803 20 0 DHADHO CCCOc1ccc(C[N@@H+](C)CC(C)(C)CN(C)C)c(C)c1 ZINC001184198754 1036766789 /nfs/dbraw/zinc/76/67/89/1036766789.db2.gz ZHVITLOPLNSTBA-UHFFFAOYSA-N 1 3 306.494 3.803 20 0 DHADHO Cc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c2ccccc2n1 ZINC000488724255 1037114347 /nfs/dbraw/zinc/11/43/47/1037114347.db2.gz XZCLIUYBXWVWAO-OAHLLOKOSA-N 1 3 309.457 3.854 20 0 DHADHO Cc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c2ccccc2n1 ZINC000488724255 1037114355 /nfs/dbraw/zinc/11/43/55/1037114355.db2.gz XZCLIUYBXWVWAO-OAHLLOKOSA-N 1 3 309.457 3.854 20 0 DHADHO Cc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c2ccccc2n1 ZINC000488719953 1037117955 /nfs/dbraw/zinc/11/79/55/1037117955.db2.gz ZNRVDLMLFNLHCE-SPYBWZPUSA-N 1 3 309.457 3.710 20 0 DHADHO Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c2ccccc2n1 ZINC000488719953 1037117965 /nfs/dbraw/zinc/11/79/65/1037117965.db2.gz ZNRVDLMLFNLHCE-SPYBWZPUSA-N 1 3 309.457 3.710 20 0 DHADHO Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309730073 1037174804 /nfs/dbraw/zinc/17/48/04/1037174804.db2.gz RIFNGKINBNYEQU-WIYYLYMNSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccccc1CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309730073 1037174820 /nfs/dbraw/zinc/17/48/20/1037174820.db2.gz RIFNGKINBNYEQU-WIYYLYMNSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccccc1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309730073 1037174831 /nfs/dbraw/zinc/17/48/31/1037174831.db2.gz RIFNGKINBNYEQU-WIYYLYMNSA-N 1 3 308.469 3.995 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[C@@H]2CCCCO2)C1 ZINC000347433128 1037189134 /nfs/dbraw/zinc/18/91/34/1037189134.db2.gz GOBBOCSNZCCUQI-QYZOEREBSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[C@@H]2CCCCO2)C1 ZINC000347433128 1037189141 /nfs/dbraw/zinc/18/91/41/1037189141.db2.gz GOBBOCSNZCCUQI-QYZOEREBSA-N 1 3 308.510 3.532 20 0 DHADHO COCc1c(C)cc(C)c(CNC[C@H](C)C[NH+]2CCCC2)c1C ZINC001199403622 1037260903 /nfs/dbraw/zinc/26/09/03/1037260903.db2.gz XDUBAAGBBURWDA-HNNXBMFYSA-N 1 3 318.505 3.580 20 0 DHADHO C[C@@H](Cc1cccc(F)c1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001168455655 1037346168 /nfs/dbraw/zinc/34/61/68/1037346168.db2.gz HOTBYEUWZBGQEB-BBWFWOEESA-N 1 3 306.469 3.714 20 0 DHADHO C[C@@H](Cc1cccc(F)c1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001168455655 1037346184 /nfs/dbraw/zinc/34/61/84/1037346184.db2.gz HOTBYEUWZBGQEB-BBWFWOEESA-N 1 3 306.469 3.714 20 0 DHADHO Clc1ccccc1C1CC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000036997001 1037665935 /nfs/dbraw/zinc/66/59/35/1037665935.db2.gz KDAINTUBCWVZSF-VKYMVXLJSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccccc1C1CC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000036997001 1037665942 /nfs/dbraw/zinc/66/59/42/1037665942.db2.gz KDAINTUBCWVZSF-VKYMVXLJSA-N 1 3 304.865 3.802 20 0 DHADHO CN(Cc1ccncc1)C1CC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001201434258 1037689954 /nfs/dbraw/zinc/68/99/54/1037689954.db2.gz IKBSIQNFJATYTJ-UHFFFAOYSA-N 1 3 315.505 3.804 20 0 DHADHO CN(CCCc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC001235952435 1037706600 /nfs/dbraw/zinc/70/66/00/1037706600.db2.gz XRAASFULPNIWFR-AWEZNQCLSA-N 1 3 315.288 3.857 20 0 DHADHO CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000924854506 1037733887 /nfs/dbraw/zinc/73/38/87/1037733887.db2.gz HNAAWDZNYNJLFG-VQTJNVASSA-N 1 3 322.537 3.682 20 0 DHADHO Cc1noc(C)c1C[N@H+]1CCCC12CCN(CCC(C)C)CC2 ZINC001201613995 1037811411 /nfs/dbraw/zinc/81/14/11/1037811411.db2.gz BQVWYYWWUMQJPO-UHFFFAOYSA-N 1 3 319.493 3.768 20 0 DHADHO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(CCC(C)C)CC2 ZINC001201613995 1037811430 /nfs/dbraw/zinc/81/14/30/1037811430.db2.gz BQVWYYWWUMQJPO-UHFFFAOYSA-N 1 3 319.493 3.768 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)C1 ZINC000124166336 1037886257 /nfs/dbraw/zinc/88/62/57/1037886257.db2.gz KIPPFTXCEWQFDZ-DLBZAZTESA-N 1 3 304.478 3.714 20 0 DHADHO CC(C)COc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000124352378 1037891948 /nfs/dbraw/zinc/89/19/48/1037891948.db2.gz YFYMBTDVQYAAAA-DLBZAZTESA-N 1 3 316.489 3.856 20 0 DHADHO CC(C)COc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000124352378 1037891971 /nfs/dbraw/zinc/89/19/71/1037891971.db2.gz YFYMBTDVQYAAAA-DLBZAZTESA-N 1 3 316.489 3.856 20 0 DHADHO CCC[NH+]1CCC(N[C@H](C)CSc2ccc(C)cc2)CC1 ZINC000186470924 1037909273 /nfs/dbraw/zinc/90/92/73/1037909273.db2.gz CWXSTMXEQAHVTG-MRXNPFEDSA-N 1 3 306.519 3.940 20 0 DHADHO CC(C)(C)CCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001202115298 1038041772 /nfs/dbraw/zinc/04/17/72/1038041772.db2.gz RLQPQDUSIKJILQ-OALUTQOASA-N 1 3 300.490 3.877 20 0 DHADHO CC(C)(C)CCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001202115298 1038041792 /nfs/dbraw/zinc/04/17/92/1038041792.db2.gz RLQPQDUSIKJILQ-OALUTQOASA-N 1 3 300.490 3.877 20 0 DHADHO Cc1ccoc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000571339656 1038127711 /nfs/dbraw/zinc/12/77/11/1038127711.db2.gz SOYAAEHULLXEDV-OALUTQOASA-N 1 3 310.441 3.542 20 0 DHADHO Cc1ccoc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000571339656 1038127719 /nfs/dbraw/zinc/12/77/19/1038127719.db2.gz SOYAAEHULLXEDV-OALUTQOASA-N 1 3 310.441 3.542 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(COCc3ccccc3)cc2)C1 ZINC000571537580 1038167685 /nfs/dbraw/zinc/16/76/85/1038167685.db2.gz KTCJNSGZQSWHPO-LEWJYISDSA-N 1 3 324.468 3.763 20 0 DHADHO Clc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000127699272 1038208840 /nfs/dbraw/zinc/20/88/40/1038208840.db2.gz KUKZVBWGQMIMNN-LSDHHAIUSA-N 1 3 313.272 3.752 20 0 DHADHO Clc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000127699272 1038208860 /nfs/dbraw/zinc/20/88/60/1038208860.db2.gz KUKZVBWGQMIMNN-LSDHHAIUSA-N 1 3 313.272 3.752 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C2CCC2)cc1CN1CCCCC1 ZINC000775408974 1038376710 /nfs/dbraw/zinc/37/67/10/1038376710.db2.gz YKXHZNRKPVQFBQ-OAHLLOKOSA-N 1 3 302.462 3.884 20 0 DHADHO CCOc1ccc(Cl)cc1CN1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205616885 1038720622 /nfs/dbraw/zinc/72/06/22/1038720622.db2.gz HLBGVACZPXERJF-UONOGXRCSA-N 1 3 310.869 3.546 20 0 DHADHO C[C@@H]1CCN(Cc2cc(F)ccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205616899 1038721563 /nfs/dbraw/zinc/72/15/63/1038721563.db2.gz HLRQCCAUOLTYCC-VXGBXAGGSA-N 1 3 318.358 3.651 20 0 DHADHO CC(C)c1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603517311 1039033898 /nfs/dbraw/zinc/03/38/98/1039033898.db2.gz OKDBDHKAGHTCGZ-FQEVSTJZSA-N 1 3 316.489 3.543 20 0 DHADHO COc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c2ccccc12 ZINC000573707406 1039060595 /nfs/dbraw/zinc/06/05/95/1039060595.db2.gz CCIZVOUPZQDCIH-NRFANRHFSA-N 1 3 324.468 3.766 20 0 DHADHO COc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c2ccccc12 ZINC000573707406 1039060610 /nfs/dbraw/zinc/06/06/10/1039060610.db2.gz CCIZVOUPZQDCIH-NRFANRHFSA-N 1 3 324.468 3.766 20 0 DHADHO CCSC1(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000595100606 1040062584 /nfs/dbraw/zinc/06/25/84/1040062584.db2.gz SOULILAZSYYDAE-NVXWUHKLSA-N 1 3 310.551 3.905 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000608067706 1040364206 /nfs/dbraw/zinc/36/42/06/1040364206.db2.gz NJEBTXMOTPYEGS-NHYWBVRUSA-N 1 3 301.261 3.813 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000534059570 1040698927 /nfs/dbraw/zinc/69/89/27/1040698927.db2.gz OYQBJJGMCVNCHP-BZNIZROVSA-N 1 3 313.272 3.912 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCC1)c1cccc(Br)c1 ZINC000020128989 182190293 /nfs/dbraw/zinc/19/02/93/182190293.db2.gz GQBYUZPPSBTKCI-CYBMUJFWSA-N 1 3 311.267 3.586 20 0 DHADHO C[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1F ZINC000297711911 132030241 /nfs/dbraw/zinc/03/02/41/132030241.db2.gz RBUOJWPXZJEQTG-CYBMUJFWSA-N 1 3 317.383 3.679 20 0 DHADHO COc1ccc(CNCCCCC[NH+]2CCCCC2)c(F)c1 ZINC000564800183 331670296 /nfs/dbraw/zinc/67/02/96/331670296.db2.gz BSTICGKTWIVYKD-UHFFFAOYSA-N 1 3 308.441 3.580 20 0 DHADHO Cc1cccc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000162596176 332941999 /nfs/dbraw/zinc/94/19/99/332941999.db2.gz UATGWXIEJPKACX-KRWDZBQOSA-N 1 3 312.457 3.786 20 0 DHADHO CC(C)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000560530316 332352388 /nfs/dbraw/zinc/35/23/88/332352388.db2.gz XXCRGFTXJNMWFH-VAMGGRTRSA-N 1 3 316.489 3.684 20 0 DHADHO CC(C)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000560530316 332352390 /nfs/dbraw/zinc/35/23/90/332352390.db2.gz XXCRGFTXJNMWFH-VAMGGRTRSA-N 1 3 316.489 3.684 20 0 DHADHO CC(C)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000560530316 332352392 /nfs/dbraw/zinc/35/23/92/332352392.db2.gz XXCRGFTXJNMWFH-VAMGGRTRSA-N 1 3 316.489 3.684 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cccc(-c3ccccn3)c2)[C@H]2CCC[C@@H]21 ZINC000560542727 332355769 /nfs/dbraw/zinc/35/57/69/332355769.db2.gz GEPUMOKWPLLYJU-GIVPXCGWSA-N 1 3 321.468 3.711 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cccc(-c3ccccn3)c2)[C@H]2CCC[C@@H]21 ZINC000560542727 332355771 /nfs/dbraw/zinc/35/57/71/332355771.db2.gz GEPUMOKWPLLYJU-GIVPXCGWSA-N 1 3 321.468 3.711 20 0 DHADHO NC[C@H]([NH2+]Cc1cnc(C2CCCCC2)s1)C1CCCC1 ZINC000560966694 332397654 /nfs/dbraw/zinc/39/76/54/332397654.db2.gz KJIKYGFSICBGGZ-INIZCTEOSA-N 1 3 307.507 3.798 20 0 DHADHO CC[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000181751728 333064333 /nfs/dbraw/zinc/06/43/33/333064333.db2.gz FUMMVBUIVZMECW-HKUYNNGSSA-N 1 3 301.478 3.856 20 0 DHADHO CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000314187388 333092738 /nfs/dbraw/zinc/09/27/38/333092738.db2.gz YCJGTVWPOSCZCS-CABCVRRESA-N 1 3 300.446 3.988 20 0 DHADHO C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc2ccccc2n1 ZINC000178016712 333134437 /nfs/dbraw/zinc/13/44/37/333134437.db2.gz YKGBLUMQWXXQKA-CCNLRDMRSA-N 1 3 309.457 3.901 20 0 DHADHO COc1ccccc1C[C@@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000124029411 333486274 /nfs/dbraw/zinc/48/62/74/333486274.db2.gz ORTLZHBJGWVDCK-CQSZACIVSA-N 1 3 304.478 3.525 20 0 DHADHO CC[NH+](CC)CC1CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411174731 333640135 /nfs/dbraw/zinc/64/01/35/333640135.db2.gz OYEVZVCXNBCRLD-RBUKOAKNSA-N 1 3 304.453 3.735 20 0 DHADHO CC[C@@H]([NH2+]Cc1cccc(CN2CCCCC2)c1)[C@@H]1CCCO1 ZINC000411520518 333687810 /nfs/dbraw/zinc/68/78/10/333687810.db2.gz WFNUDUKLQMMMIR-UXHICEINSA-N 1 3 316.489 3.720 20 0 DHADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000414105377 333897282 /nfs/dbraw/zinc/89/72/82/333897282.db2.gz WCMOMDYULIKSHW-ZWKOTPCHSA-N 1 3 301.478 3.712 20 0 DHADHO C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000414280387 333932638 /nfs/dbraw/zinc/93/26/38/333932638.db2.gz CZLIKZMOSZUDOR-ZTFGCOKTSA-N 1 3 308.441 3.558 20 0 DHADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651338 334054993 /nfs/dbraw/zinc/05/49/93/334054993.db2.gz CBBWEHFIXLYFDH-VNHYZAJKSA-N 1 3 314.395 3.868 20 0 DHADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651338 334054995 /nfs/dbraw/zinc/05/49/95/334054995.db2.gz CBBWEHFIXLYFDH-VNHYZAJKSA-N 1 3 314.395 3.868 20 0 DHADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414651338 334054996 /nfs/dbraw/zinc/05/49/96/334054996.db2.gz CBBWEHFIXLYFDH-VNHYZAJKSA-N 1 3 314.395 3.868 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CCNCC1 ZINC000414774346 334090732 /nfs/dbraw/zinc/09/07/32/334090732.db2.gz AYDICCGOIQLOGD-CYBMUJFWSA-N 1 3 301.261 3.656 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)NC1CC[NH2+]CC1 ZINC000414774346 334090733 /nfs/dbraw/zinc/09/07/33/334090733.db2.gz AYDICCGOIQLOGD-CYBMUJFWSA-N 1 3 301.261 3.656 20 0 DHADHO CC(C)([NH3+])CN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414801228 334101771 /nfs/dbraw/zinc/10/17/71/334101771.db2.gz IZYLBTXDFOPFTL-KGLIPLIRSA-N 1 3 300.368 3.668 20 0 DHADHO CCOc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1F ZINC000414808739 334104909 /nfs/dbraw/zinc/10/49/09/334104909.db2.gz FTSJZDXJPMABMW-ZDUSSCGKSA-N 1 3 302.393 3.534 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414812548 334106326 /nfs/dbraw/zinc/10/63/26/334106326.db2.gz XKBDKAVQFKAWKZ-INWMFGNUSA-N 1 3 314.395 3.744 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000414816291 334106694 /nfs/dbraw/zinc/10/66/94/334106694.db2.gz ZVXYZBCFDCFVEL-GFCCVEGCSA-N 1 3 324.346 3.895 20 0 DHADHO Clc1cccc(Cl)c1CCC[NH2+]C[C@@H]1CCCNC1 ZINC000414852669 334127083 /nfs/dbraw/zinc/12/70/83/334127083.db2.gz KFRXYXLRYWTEIZ-GFCCVEGCSA-N 1 3 301.261 3.515 20 0 DHADHO Clc1cccc(Cl)c1CCCNC[C@@H]1CCC[NH2+]C1 ZINC000414852669 334127084 /nfs/dbraw/zinc/12/70/84/334127084.db2.gz KFRXYXLRYWTEIZ-GFCCVEGCSA-N 1 3 301.261 3.515 20 0 DHADHO FC(F)(F)c1cccc(CCCC[NH2+]C[C@@H]2CCCNC2)c1 ZINC000414859196 334132344 /nfs/dbraw/zinc/13/23/44/334132344.db2.gz SYNOLAVDLQRCBV-HNNXBMFYSA-N 1 3 314.395 3.617 20 0 DHADHO COc1ccc(C2CCC([NH2+][C@@H](C)[C@H]3CCCNC3)CC2)cc1 ZINC000414862336 334133290 /nfs/dbraw/zinc/13/32/90/334133290.db2.gz XIEIEUQUDHLGCY-YQBZFSLMSA-N 1 3 316.489 3.699 20 0 DHADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414876310 334146645 /nfs/dbraw/zinc/14/66/45/334146645.db2.gz LDCPVTCQDABGCN-DFBGVHRSSA-N 1 3 300.368 3.526 20 0 DHADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414906141 334169400 /nfs/dbraw/zinc/16/94/00/334169400.db2.gz MBJVGUVHSKWFBN-WFASDCNBSA-N 1 3 300.899 3.702 20 0 DHADHO C[C@@H](Cc1c(Cl)cccc1Cl)N[C@H]1CCC[NH2+]CC1 ZINC000414916536 334177523 /nfs/dbraw/zinc/17/75/23/334177523.db2.gz OTAHFWQFJMTGNT-RYUDHWBXSA-N 1 3 301.261 3.656 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414934519 334197155 /nfs/dbraw/zinc/19/71/55/334197155.db2.gz FCURESGZFRVRQP-PEYYIBSZSA-N 1 3 315.288 3.902 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414934519 334197156 /nfs/dbraw/zinc/19/71/56/334197156.db2.gz FCURESGZFRVRQP-PEYYIBSZSA-N 1 3 315.288 3.902 20 0 DHADHO Cc1ccc(-c2ccc(C[NH2+][C@H]3CCNC[C@@H]3C)s2)cc1 ZINC000414964377 334213459 /nfs/dbraw/zinc/21/34/59/334213459.db2.gz VAJBEQALSZHKAX-YOEHRIQHSA-N 1 3 300.471 3.811 20 0 DHADHO Cc1ccc(-c2nc(CNCCC[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000414969084 334215291 /nfs/dbraw/zinc/21/52/91/334215291.db2.gz IPUTWXWMNNFUPY-INIZCTEOSA-N 1 3 315.486 3.740 20 0 DHADHO Clc1cccc(N2CCCC2)c1CNCCC[C@H]1CCC[NH2+]1 ZINC000414969866 334215834 /nfs/dbraw/zinc/21/58/34/334215834.db2.gz JTFREZQPXMTJFW-HNNXBMFYSA-N 1 3 321.896 3.562 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415082353 334273131 /nfs/dbraw/zinc/27/31/31/334273131.db2.gz OFSWLIIVMKSSAA-XJKCOSOUSA-N 1 3 314.395 3.757 20 0 DHADHO C[C@H](CCNC[C@@]1(C)CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415086295 334273332 /nfs/dbraw/zinc/27/33/32/334273332.db2.gz JKSHVUWSACYESP-CZUORRHYSA-N 1 3 314.395 3.788 20 0 DHADHO CC[C@@H](N)C[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414994288 334233465 /nfs/dbraw/zinc/23/34/65/334233465.db2.gz UTMGYSINSZRITI-WMHRWZGDSA-N 1 3 310.441 3.606 20 0 DHADHO Cc1ccc(CNC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000414998550 334236616 /nfs/dbraw/zinc/23/66/16/334236616.db2.gz IESVHRYXYJSCGN-MAUKXSAKSA-N 1 3 318.461 3.679 20 0 DHADHO Cc1ccc(C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)s1 ZINC000414998550 334236617 /nfs/dbraw/zinc/23/66/17/334236617.db2.gz IESVHRYXYJSCGN-MAUKXSAKSA-N 1 3 318.461 3.679 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](CNCc2ccc(F)c(Cl)c2Cl)C1 ZINC000415000383 334239644 /nfs/dbraw/zinc/23/96/44/334239644.db2.gz KFFHWWBRYDAMGM-GXSJLCMTSA-N 1 3 305.224 3.740 20 0 DHADHO C[C@@H]([NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1)[C@H](C)N ZINC000415024466 334259927 /nfs/dbraw/zinc/25/99/27/334259927.db2.gz YRAPNCPJRCXBTQ-RUZMYDRRSA-N 1 3 310.441 3.604 20 0 DHADHO [NH3+]CCC[C@@H](NCc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000415056293 334261853 /nfs/dbraw/zinc/26/18/53/334261853.db2.gz PTVYIFFVLKCYDC-QGZVFWFLSA-N 1 3 320.383 3.858 20 0 DHADHO CC(C)C[C@H]([NH3+])CN[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000415073740 334267374 /nfs/dbraw/zinc/26/73/74/334267374.db2.gz BKRFTHJEEMQVJZ-DOMZBBRYSA-N 1 3 302.384 3.599 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000415079128 334270332 /nfs/dbraw/zinc/27/03/32/334270332.db2.gz HPPHABUPQDAUJC-IPMKNSEASA-N 1 3 300.490 3.766 20 0 DHADHO C[C@@H](CNC[C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415079459 334270764 /nfs/dbraw/zinc/27/07/64/334270764.db2.gz HYJFWPZRXKLHGN-NWDGAFQWSA-N 1 3 301.261 3.686 20 0 DHADHO C[C@@H](C[NH2+]C[C@@H]1CCCNC1)c1c(Cl)cccc1Cl ZINC000415079459 334270765 /nfs/dbraw/zinc/27/07/65/334270765.db2.gz HYJFWPZRXKLHGN-NWDGAFQWSA-N 1 3 301.261 3.686 20 0 DHADHO COc1ccccc1[C@@H](NC1CCC(C[NH3+])CC1)c1ccccc1 ZINC000415092074 334280184 /nfs/dbraw/zinc/28/01/84/334280184.db2.gz RZJMLMRYAKTBFZ-IAYYMHMVSA-N 1 3 324.468 3.892 20 0 DHADHO Cc1ccc(N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(CN(C)C)c1 ZINC000415112644 334281800 /nfs/dbraw/zinc/28/18/00/334281800.db2.gz CYIGAYHPAJDEOW-TZIWHRDSSA-N 1 3 323.484 3.962 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000415102123 334282496 /nfs/dbraw/zinc/28/24/96/334282496.db2.gz JJHLIQXYGZCLKU-DGCUDZEOSA-N 1 3 308.416 3.579 20 0 DHADHO CC(C)(CNC1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415104342 334282817 /nfs/dbraw/zinc/28/28/17/334282817.db2.gz LEERJWMYJVGOOL-UHFFFAOYSA-N 1 3 301.261 3.613 20 0 DHADHO CC(C)(C[NH2+]C1CCNCC1)c1c(Cl)cccc1Cl ZINC000415104342 334282819 /nfs/dbraw/zinc/28/28/19/334282819.db2.gz LEERJWMYJVGOOL-UHFFFAOYSA-N 1 3 301.261 3.613 20 0 DHADHO CC[C@@H](C)[C@@H](C)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000531949496 334303560 /nfs/dbraw/zinc/30/35/60/334303560.db2.gz DWMBNPHAMPVADQ-IAGOWNOFSA-N 1 3 318.505 3.931 20 0 DHADHO CCC[NH+]1CCC(CN[C@H](C)c2ccc(C)cc2OC)CC1 ZINC000531959799 334316100 /nfs/dbraw/zinc/31/61/00/334316100.db2.gz QPXOLSPBPPHNQC-MRXNPFEDSA-N 1 3 304.478 3.776 20 0 DHADHO COc1ccc([C@H](C)NCC[N@@H+]2CC[C@@H](C)C2)c2ccccc12 ZINC000531984229 334359134 /nfs/dbraw/zinc/35/91/34/334359134.db2.gz PIPHDVCYUGROGZ-CVEARBPZSA-N 1 3 312.457 3.841 20 0 DHADHO COc1ccc([C@H](C)NCC[N@H+]2CC[C@@H](C)C2)c2ccccc12 ZINC000531984229 334359135 /nfs/dbraw/zinc/35/91/35/334359135.db2.gz PIPHDVCYUGROGZ-CVEARBPZSA-N 1 3 312.457 3.841 20 0 DHADHO CCCC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccccc1 ZINC000343935190 335203115 /nfs/dbraw/zinc/20/31/15/335203115.db2.gz XVHKIFHBDSWHFN-FQEVSTJZSA-N 1 3 317.521 3.535 20 0 DHADHO C[NH+]1CCC2(CCCN(Cc3cccc(C(F)F)c3)C2)CC1 ZINC000366867755 335255574 /nfs/dbraw/zinc/25/55/74/335255574.db2.gz VOGUIFBNYCKXQZ-UHFFFAOYSA-N 1 3 308.416 3.932 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)c3ncccc3c2)[C@H](C)C1 ZINC000346221220 335385636 /nfs/dbraw/zinc/38/56/36/335385636.db2.gz OADUYJJTXFHFKQ-VQIMIIECSA-N 1 3 311.473 3.705 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)c3ncccc3c2)[C@H](C)C1 ZINC000346221220 335385638 /nfs/dbraw/zinc/38/56/38/335385638.db2.gz OADUYJJTXFHFKQ-VQIMIIECSA-N 1 3 311.473 3.705 20 0 DHADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000583661358 336035677 /nfs/dbraw/zinc/03/56/77/336035677.db2.gz LFGHZSWYZRAKOJ-HNNXBMFYSA-N 1 3 310.844 3.643 20 0 DHADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000526112970 336165315 /nfs/dbraw/zinc/16/53/15/336165315.db2.gz PMMLLVJOGGSIQV-IRXDYDNUSA-N 1 3 306.469 3.887 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](C)c2ccc(F)cc2)C1 ZINC000526112970 336165317 /nfs/dbraw/zinc/16/53/17/336165317.db2.gz PMMLLVJOGGSIQV-IRXDYDNUSA-N 1 3 306.469 3.887 20 0 DHADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](C)c2ccc(F)cc2)C1 ZINC000526112970 336165319 /nfs/dbraw/zinc/16/53/19/336165319.db2.gz PMMLLVJOGGSIQV-IRXDYDNUSA-N 1 3 306.469 3.887 20 0 DHADHO CC[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(F)cn1 ZINC000352555988 336224501 /nfs/dbraw/zinc/22/45/01/336224501.db2.gz UKQSNMFKVVXSLY-KRWDZBQOSA-N 1 3 307.457 3.774 20 0 DHADHO CC[C@H]1CCC[N@@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000352651148 336228765 /nfs/dbraw/zinc/22/87/65/336228765.db2.gz DUMAWEBMTXTQJU-SFHVURJKSA-N 1 3 315.505 3.591 20 0 DHADHO CC[C@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000352651148 336228766 /nfs/dbraw/zinc/22/87/66/336228766.db2.gz DUMAWEBMTXTQJU-SFHVURJKSA-N 1 3 315.505 3.591 20 0 DHADHO CC(C)SCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352822222 336257726 /nfs/dbraw/zinc/25/77/26/336257726.db2.gz DVXUEDJZZCGNIU-IBGZPJMESA-N 1 3 318.530 3.726 20 0 DHADHO CC(C)SCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352822222 336257727 /nfs/dbraw/zinc/25/77/27/336257727.db2.gz DVXUEDJZZCGNIU-IBGZPJMESA-N 1 3 318.530 3.726 20 0 DHADHO COc1cccc2cc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)oc21 ZINC000192901000 336282830 /nfs/dbraw/zinc/28/28/30/336282830.db2.gz GWCGIZSJLWZXOH-CYBMUJFWSA-N 1 3 304.434 3.680 20 0 DHADHO COc1ccc([C@H]([NH2+]CCCN2CCCCC2)C2CC2)cc1 ZINC000192940615 336285393 /nfs/dbraw/zinc/28/53/93/336285393.db2.gz DUPHJVBJEVKBTO-LJQANCHMSA-N 1 3 302.462 3.612 20 0 DHADHO COc1ccc([C@H](NCCC[NH+]2CCCCC2)C2CC2)cc1 ZINC000192940615 336285394 /nfs/dbraw/zinc/28/53/94/336285394.db2.gz DUPHJVBJEVKBTO-LJQANCHMSA-N 1 3 302.462 3.612 20 0 DHADHO CCc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2n1 ZINC000301775042 336328976 /nfs/dbraw/zinc/32/89/76/336328976.db2.gz GCHLEJIBQQGHHE-DNVCBOLYSA-N 1 3 309.457 3.718 20 0 DHADHO CCc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc2n1 ZINC000301775042 336328977 /nfs/dbraw/zinc/32/89/77/336328977.db2.gz GCHLEJIBQQGHHE-DNVCBOLYSA-N 1 3 309.457 3.718 20 0 DHADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000320856984 336374422 /nfs/dbraw/zinc/37/44/22/336374422.db2.gz AYCQZSRLJOEVEN-IFXJQAMLSA-N 1 3 309.457 3.619 20 0 DHADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000320856984 336374423 /nfs/dbraw/zinc/37/44/23/336374423.db2.gz AYCQZSRLJOEVEN-IFXJQAMLSA-N 1 3 309.457 3.619 20 0 DHADHO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc(OCCN(C)C)c1 ZINC000120424223 336911864 /nfs/dbraw/zinc/91/18/64/336911864.db2.gz FQKBFCXNOBFMQG-MAUKXSAKSA-N 1 3 322.518 3.563 20 0 DHADHO CC[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000122301604 337003876 /nfs/dbraw/zinc/00/38/76/337003876.db2.gz VIYAHTQMVDBLHW-IBGZPJMESA-N 1 3 312.457 3.868 20 0 DHADHO C[N@@H+]1CC[C@H](CNCc2cccc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000377763572 337060382 /nfs/dbraw/zinc/06/03/82/337060382.db2.gz RILJHZDSKWUFGC-WIYYLYMNSA-N 1 3 319.452 3.951 20 0 DHADHO C[N@H+]1CC[C@H](CNCc2cccc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000377763572 337060383 /nfs/dbraw/zinc/06/03/83/337060383.db2.gz RILJHZDSKWUFGC-WIYYLYMNSA-N 1 3 319.452 3.951 20 0 DHADHO C[C@@H]([NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)C(C)(C)C ZINC000378440658 337072771 /nfs/dbraw/zinc/07/27/71/337072771.db2.gz DAOSDVQJLJSIAY-WBVHZDCISA-N 1 3 316.489 3.999 20 0 DHADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cc(Br)cs1 ZINC000193936985 337080752 /nfs/dbraw/zinc/08/07/52/337080752.db2.gz ZOIFHICAHYOIPJ-SNVBAGLBSA-N 1 3 319.312 3.749 20 0 DHADHO C[C@H]([NH2+]CC1CCN(C)CC1)c1cc(Br)cs1 ZINC000194028022 337081259 /nfs/dbraw/zinc/08/12/59/337081259.db2.gz ICRODIUKDUAIOC-JTQLQIEISA-N 1 3 317.296 3.503 20 0 DHADHO C[N@H+]1CC=C(CNCc2cccc(OCc3ccccc3)c2)CC1 ZINC000394435979 337116460 /nfs/dbraw/zinc/11/64/60/337116460.db2.gz ZXDIQTUPYSUBTJ-UHFFFAOYSA-N 1 3 322.452 3.617 20 0 DHADHO C[N@@H+]1CC=C(CNCc2cccc(OCc3ccccc3)c2)CC1 ZINC000394435979 337116461 /nfs/dbraw/zinc/11/64/61/337116461.db2.gz ZXDIQTUPYSUBTJ-UHFFFAOYSA-N 1 3 322.452 3.617 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000178035096 337159935 /nfs/dbraw/zinc/15/99/35/337159935.db2.gz CPJZEYGUAQNCEK-LMMKCTJWSA-N 1 3 304.478 3.617 20 0 DHADHO C[C@H]1C[C@@H](NCCc2nc(C3CCCCC3)cs2)CC[N@@H+]1C ZINC000181016137 337179295 /nfs/dbraw/zinc/17/92/95/337179295.db2.gz SVRGVQFNJMVVPP-HOCLYGCPSA-N 1 3 321.534 3.806 20 0 DHADHO C[C@H]1C[C@@H](NCCc2nc(C3CCCCC3)cs2)CC[N@H+]1C ZINC000181016137 337179296 /nfs/dbraw/zinc/17/92/96/337179296.db2.gz SVRGVQFNJMVVPP-HOCLYGCPSA-N 1 3 321.534 3.806 20 0 DHADHO COc1cccc2c(CNC[C@@H]3CC[N@@H+](C(C)C)C3)cccc12 ZINC000582945302 337220770 /nfs/dbraw/zinc/22/07/70/337220770.db2.gz GHHKWUYETCXFPX-INIZCTEOSA-N 1 3 312.457 3.668 20 0 DHADHO COc1cccc2c(CNC[C@@H]3CC[N@H+](C(C)C)C3)cccc12 ZINC000582945302 337220771 /nfs/dbraw/zinc/22/07/71/337220771.db2.gz GHHKWUYETCXFPX-INIZCTEOSA-N 1 3 312.457 3.668 20 0 DHADHO COc1cccc2c(C[NH2+]C[C@@H]3CCN(C(C)C)C3)cccc12 ZINC000582945302 337220772 /nfs/dbraw/zinc/22/07/72/337220772.db2.gz GHHKWUYETCXFPX-INIZCTEOSA-N 1 3 312.457 3.668 20 0 DHADHO Cc1ccncc1CCCNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000583172033 337252130 /nfs/dbraw/zinc/25/21/30/337252130.db2.gz QQJGKROWNJJTBK-FQEVSTJZSA-N 1 3 315.505 3.709 20 0 DHADHO Cc1ccncc1CCCNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000583172033 337252131 /nfs/dbraw/zinc/25/21/31/337252131.db2.gz QQJGKROWNJJTBK-FQEVSTJZSA-N 1 3 315.505 3.709 20 0 DHADHO CCCCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000192684925 337306755 /nfs/dbraw/zinc/30/67/55/337306755.db2.gz LGOUJLKXXIIBIT-AYHJJNSGSA-N 1 3 302.462 3.580 20 0 DHADHO CN(Cc1ccccn1)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726097 337386755 /nfs/dbraw/zinc/38/67/55/337386755.db2.gz DKPURPODFCBGAA-UHFFFAOYSA-N 1 3 323.484 3.816 20 0 DHADHO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422704378 337683573 /nfs/dbraw/zinc/68/35/73/337683573.db2.gz KMIXEDQQFXJMFU-HNNXBMFYSA-N 1 3 311.473 3.786 20 0 DHADHO Clc1ccccc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422779436 337686216 /nfs/dbraw/zinc/68/62/16/337686216.db2.gz ISMANSMAFYPVBZ-KBAYOESNSA-N 1 3 306.881 3.783 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422786317 337686616 /nfs/dbraw/zinc/68/66/16/337686616.db2.gz KTYQWVADXXCTHL-VDHUWJSZSA-N 1 3 304.503 3.678 20 0 DHADHO CCc1ccccc1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422785575 337686643 /nfs/dbraw/zinc/68/66/43/337686643.db2.gz PLPCVYUXAZWKHP-TZIWHRDSSA-N 1 3 322.452 3.595 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000422798029 337687084 /nfs/dbraw/zinc/68/70/84/337687084.db2.gz PLSYPQRHCNTKNM-BNEJOLLZSA-N 1 3 322.880 3.618 20 0 DHADHO COc1ccc(-c2csc(CN[C@H](C)C[C@H](C)[NH3+])c2)cc1 ZINC000422825052 337688231 /nfs/dbraw/zinc/68/82/31/337688231.db2.gz PBDVVWWYYASXNT-QWHCGFSZSA-N 1 3 304.459 3.639 20 0 DHADHO CC[C@H](CN[C@H](C)C[C@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422840522 337688661 /nfs/dbraw/zinc/68/86/61/337688661.db2.gz TWCHLABJPRDURB-OUCADQQQSA-N 1 3 318.383 3.578 20 0 DHADHO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)c(C)c1 ZINC000422890223 337690203 /nfs/dbraw/zinc/69/02/03/337690203.db2.gz ROGCMNVVONCLSZ-HZPDHXFCSA-N 1 3 311.473 3.747 20 0 DHADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422904244 337690546 /nfs/dbraw/zinc/69/05/46/337690546.db2.gz GMLIMJHTJHWVHZ-NVXWUHKLSA-N 1 3 304.503 3.809 20 0 DHADHO Cc1csc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)n1 ZINC000422908502 337690659 /nfs/dbraw/zinc/69/06/59/337690659.db2.gz MSKFZEZCTUIUCY-BRWVUGGUSA-N 1 3 321.534 3.675 20 0 DHADHO c1ccc(SC2(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422909702 337691017 /nfs/dbraw/zinc/69/10/17/337691017.db2.gz OTQXKNMFYVWNBA-RCCFBDPRSA-N 1 3 316.514 3.822 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1ccccc1-c1ccccc1 ZINC000422939430 337692571 /nfs/dbraw/zinc/69/25/71/337692571.db2.gz RMDCIIFFEKUCPN-XLIONFOSSA-N 1 3 324.468 3.710 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCC(C(C)C)CC1 ZINC000422990238 337693770 /nfs/dbraw/zinc/69/37/70/337693770.db2.gz MYIIIKHJYZRKSI-OOHWJJMZSA-N 1 3 303.494 3.962 20 0 DHADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000422988353 337693830 /nfs/dbraw/zinc/69/38/30/337693830.db2.gz IUNJSKPLKUKOBV-INWMFGNUSA-N 1 3 312.404 3.717 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423056222 337697498 /nfs/dbraw/zinc/69/74/98/337697498.db2.gz XRQFAXWVVDAORL-GSEOLPGOSA-N 1 3 316.489 3.807 20 0 DHADHO [NH3+]CC1CCC(NCc2ccc(-c3ccco3)cc2F)CC1 ZINC000423082905 337698627 /nfs/dbraw/zinc/69/86/27/337698627.db2.gz FDNYLVSSYMRMIH-UHFFFAOYSA-N 1 3 302.393 3.693 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423083257 337698636 /nfs/dbraw/zinc/69/86/36/337698636.db2.gz YLUGCBLTKCFPRC-RSPOEFSDSA-N 1 3 316.489 3.665 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423105087 337699666 /nfs/dbraw/zinc/69/96/66/337699666.db2.gz NBPSUZHEJLYHSI-GDZNZVCISA-N 1 3 310.869 3.523 20 0 DHADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C2CCCCC2)cc1 ZINC000423128946 337700952 /nfs/dbraw/zinc/70/09/52/337700952.db2.gz LKEQDTVABXAMRV-RYGJVYDSSA-N 1 3 316.489 3.576 20 0 DHADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423136484 337701161 /nfs/dbraw/zinc/70/11/61/337701161.db2.gz PGAYZZKYMMPXSU-BMFZPTHFSA-N 1 3 314.395 3.700 20 0 DHADHO C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)[C@@H]1CCCNC1 ZINC000423170253 337702236 /nfs/dbraw/zinc/70/22/36/337702236.db2.gz XPZFOFGDMKHRIE-AAJLLMFJSA-N 1 3 306.881 3.954 20 0 DHADHO Clc1cccc([C@H]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423169217 337702314 /nfs/dbraw/zinc/70/23/14/337702314.db2.gz VRVIYJJAVGIFCX-FRYFRDGCSA-N 1 3 304.865 3.849 20 0 DHADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)NC[C@H](C)C[NH3+] ZINC000423297904 337710897 /nfs/dbraw/zinc/71/08/97/337710897.db2.gz MKHJTCXYTVNSGV-MNOVXSKESA-N 1 3 307.438 3.503 20 0 DHADHO C[C@@H](C[NH3+])CN[C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423300606 337711045 /nfs/dbraw/zinc/71/10/45/337711045.db2.gz SASVODMWLFRKKG-FZMZJTMJSA-N 1 3 319.449 3.511 20 0 DHADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423300140 337711148 /nfs/dbraw/zinc/71/11/48/337711148.db2.gz QWPBUZWSWOVEPF-QWRGUYRKSA-N 1 3 306.397 3.586 20 0 DHADHO [NH3+]CCCCN[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000423319396 337711869 /nfs/dbraw/zinc/71/18/69/337711869.db2.gz FDZCXCHYTWAMRI-QGZVFWFLSA-N 1 3 306.812 3.897 20 0 DHADHO [NH3+]CCC[C@H](N[C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000423501591 337723342 /nfs/dbraw/zinc/72/33/42/337723342.db2.gz CXNRNPNNMFIGJB-OALUTQOASA-N 1 3 310.441 3.839 20 0 DHADHO Cc1c([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cnn1C(C)C ZINC000423511590 337724021 /nfs/dbraw/zinc/72/40/21/337724021.db2.gz NQVNMHNJAPIEER-BEFAXECRSA-N 1 3 314.477 3.903 20 0 DHADHO C[C@H]1C[C@@H](NCc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000515013573 337977658 /nfs/dbraw/zinc/97/76/58/337977658.db2.gz ITBDMDOGHNJXCW-OXJNMPFZSA-N 1 3 324.468 3.965 20 0 DHADHO Cc1ccc(C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000426318842 338026791 /nfs/dbraw/zinc/02/67/91/338026791.db2.gz SQPBEVKSMDZHQB-MSOLQXFVSA-N 1 3 300.490 3.797 20 0 DHADHO Cc1ccc(C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000426318842 338026792 /nfs/dbraw/zinc/02/67/92/338026792.db2.gz SQPBEVKSMDZHQB-MSOLQXFVSA-N 1 3 300.490 3.797 20 0 DHADHO C[NH+]1CCC(CCNCc2ccc(C(F)(F)F)s2)CC1 ZINC000428861414 338062835 /nfs/dbraw/zinc/06/28/35/338062835.db2.gz JVSWIOVVQJQWJE-UHFFFAOYSA-N 1 3 306.397 3.588 20 0 DHADHO CN(C)CCC[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000429365040 338078737 /nfs/dbraw/zinc/07/87/37/338078737.db2.gz HOOUQUFOJRDSNY-IBGZPJMESA-N 1 3 300.421 3.651 20 0 DHADHO C[NH+](C)[C@H]1CCCN(CCCSCc2ccccc2)CC1 ZINC000429553214 338083703 /nfs/dbraw/zinc/08/37/03/338083703.db2.gz NCUWNHVCWYPYED-SFHVURJKSA-N 1 3 306.519 3.726 20 0 DHADHO CN(C)[C@H]1CCC[N@H+](CCCSCc2ccccc2)CC1 ZINC000429553214 338083704 /nfs/dbraw/zinc/08/37/04/338083704.db2.gz NCUWNHVCWYPYED-SFHVURJKSA-N 1 3 306.519 3.726 20 0 DHADHO CN(C)[C@H]1CCC[N@@H+](CCCSCc2ccccc2)CC1 ZINC000429553214 338083705 /nfs/dbraw/zinc/08/37/05/338083705.db2.gz NCUWNHVCWYPYED-SFHVURJKSA-N 1 3 306.519 3.726 20 0 DHADHO CCC(CC)(CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)OC ZINC000430157971 338099475 /nfs/dbraw/zinc/09/94/75/338099475.db2.gz SJPJSRBDMJYVQP-WMZOPIPTSA-N 1 3 310.526 3.824 20 0 DHADHO CCC(CC)(C[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1)OC ZINC000430157971 338099476 /nfs/dbraw/zinc/09/94/76/338099476.db2.gz SJPJSRBDMJYVQP-WMZOPIPTSA-N 1 3 310.526 3.824 20 0 DHADHO CC(C)CCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000430163506 338099600 /nfs/dbraw/zinc/09/96/00/338099600.db2.gz LQSWIYKXPBYHFL-HXUWFJFHSA-N 1 3 316.489 3.639 20 0 DHADHO CC(C)CCOc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000430163506 338099601 /nfs/dbraw/zinc/09/96/01/338099601.db2.gz LQSWIYKXPBYHFL-HXUWFJFHSA-N 1 3 316.489 3.639 20 0 DHADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCOc2ccc3ccccc3c2)C1 ZINC000430586179 338109295 /nfs/dbraw/zinc/10/92/95/338109295.db2.gz VKMNKFPNJDLXSG-VQIMIIECSA-N 1 3 312.457 3.668 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCOc3c(C(C)C)cccc32)C1 ZINC000431347774 338128842 /nfs/dbraw/zinc/12/88/42/338128842.db2.gz HNGMHDSCZIYECL-QFBILLFUSA-N 1 3 316.489 3.955 20 0 DHADHO Cc1cc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)c(C)s1 ZINC000432418691 338155727 /nfs/dbraw/zinc/15/57/27/338155727.db2.gz UPUWNBAFXALZJD-DZGCQCFKSA-N 1 3 310.507 3.516 20 0 DHADHO Cc1cc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)c(C)s1 ZINC000432418691 338155728 /nfs/dbraw/zinc/15/57/28/338155728.db2.gz UPUWNBAFXALZJD-DZGCQCFKSA-N 1 3 310.507 3.516 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000432786747 338167701 /nfs/dbraw/zinc/16/77/01/338167701.db2.gz QBGVRHJSFMZFOQ-INIZCTEOSA-N 1 3 314.395 3.930 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000432786747 338167702 /nfs/dbraw/zinc/16/77/02/338167702.db2.gz QBGVRHJSFMZFOQ-INIZCTEOSA-N 1 3 314.395 3.930 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000435374869 338238212 /nfs/dbraw/zinc/23/82/12/338238212.db2.gz RUUZSBYBWNLSPO-BEFAXECRSA-N 1 3 310.441 3.531 20 0 DHADHO CCN(Cc1cc(Cl)cc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000435393812 338238809 /nfs/dbraw/zinc/23/88/09/338238809.db2.gz KXQKDYRMXDGGHR-KRWDZBQOSA-N 1 3 317.864 3.852 20 0 DHADHO Cc1ccc2cc(C[N@@H+](C)CC[C@H]3CCCCN3C)ccc2n1 ZINC000438132739 338334007 /nfs/dbraw/zinc/33/40/07/338334007.db2.gz ZVJKBIFERYHFMT-LJQANCHMSA-N 1 3 311.473 3.849 20 0 DHADHO Cc1ccc2cc(C[N@H+](C)CC[C@H]3CCCCN3C)ccc2n1 ZINC000438132739 338334008 /nfs/dbraw/zinc/33/40/08/338334008.db2.gz ZVJKBIFERYHFMT-LJQANCHMSA-N 1 3 311.473 3.849 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000438211473 338336666 /nfs/dbraw/zinc/33/66/66/338336666.db2.gz WBRSWSAJAMIJHJ-GOSISDBHSA-N 1 3 304.478 3.556 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCc2ccncc2)CC1 ZINC000449194759 338601275 /nfs/dbraw/zinc/60/12/75/338601275.db2.gz YEANGJRDDSYITP-UHFFFAOYSA-N 1 3 317.521 3.893 20 0 DHADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000449250044 338606728 /nfs/dbraw/zinc/60/67/28/338606728.db2.gz KRHXTBUROKGDIA-GPMSIDNRSA-N 1 3 301.478 3.712 20 0 DHADHO CC[NH+](CC)CC1CCN(CCCC(=O)c2ccccc2)CC1 ZINC000450261597 338673859 /nfs/dbraw/zinc/67/38/59/338673859.db2.gz JBMYYVIPTJNVDK-UHFFFAOYSA-N 1 3 316.489 3.703 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)CCCc1cccnc1)CN1CCCCC1 ZINC000453061231 338788976 /nfs/dbraw/zinc/78/89/76/338788976.db2.gz NLRWXGGBBGBAPD-MSOLQXFVSA-N 1 3 303.494 3.504 20 0 DHADHO Cc1cc(C)cc(C[C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459418154 339028111 /nfs/dbraw/zinc/02/81/11/339028111.db2.gz ILERWEFBNJKKPL-GOSISDBHSA-N 1 3 323.484 3.888 20 0 DHADHO CC(C)O[C@H]1C[C@@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000459630334 339039193 /nfs/dbraw/zinc/03/91/93/339039193.db2.gz IKOGEECOMOPGDZ-OQIJWPOYSA-N 1 3 308.510 3.575 20 0 DHADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000459630334 339039194 /nfs/dbraw/zinc/03/91/94/339039194.db2.gz IKOGEECOMOPGDZ-OQIJWPOYSA-N 1 3 308.510 3.575 20 0 DHADHO CCOc1c(Cl)cccc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459728066 339044653 /nfs/dbraw/zinc/04/46/53/339044653.db2.gz CPCKIBKUKCNALC-AWEZNQCLSA-N 1 3 310.869 3.560 20 0 DHADHO CCOc1c(Cl)cccc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459728066 339044654 /nfs/dbraw/zinc/04/46/54/339044654.db2.gz CPCKIBKUKCNALC-AWEZNQCLSA-N 1 3 310.869 3.560 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2ncc(-c3ccccc3)s2)C1 ZINC000459737486 339045326 /nfs/dbraw/zinc/04/53/26/339045326.db2.gz RJMQGQGOQPPLQT-HNNXBMFYSA-N 1 3 315.486 3.632 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2ncc(-c3ccccc3)s2)C1 ZINC000459737486 339045327 /nfs/dbraw/zinc/04/53/27/339045327.db2.gz RJMQGQGOQPPLQT-HNNXBMFYSA-N 1 3 315.486 3.632 20 0 DHADHO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCCN(C)C)C1 ZINC000462774906 339088039 /nfs/dbraw/zinc/08/80/39/339088039.db2.gz PIVGASCQINFHQQ-AEFFLSMTSA-N 1 3 304.478 3.685 20 0 DHADHO CCC1CCC([NH2+]Cc2ccccc2OCCN(C)C)CC1 ZINC000462776929 339088087 /nfs/dbraw/zinc/08/80/87/339088087.db2.gz SOIOMBLNCAXZNN-UHFFFAOYSA-N 1 3 304.478 3.685 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463036520 339102409 /nfs/dbraw/zinc/10/24/09/339102409.db2.gz TZQVRHOJNHKYLF-ZOBUZTSGSA-N 1 3 304.478 3.997 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463036520 339102410 /nfs/dbraw/zinc/10/24/10/339102410.db2.gz TZQVRHOJNHKYLF-ZOBUZTSGSA-N 1 3 304.478 3.997 20 0 DHADHO C[C@H](CC(F)(F)F)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463278335 339112892 /nfs/dbraw/zinc/11/28/92/339112892.db2.gz VNVPCWWXUIFEQJ-IIAWOOMASA-N 1 3 314.395 3.970 20 0 DHADHO C[C@H](CC(F)(F)F)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463278335 339112893 /nfs/dbraw/zinc/11/28/93/339112893.db2.gz VNVPCWWXUIFEQJ-IIAWOOMASA-N 1 3 314.395 3.970 20 0 DHADHO CCCCN1CCC([NH2+][C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000467376825 339235228 /nfs/dbraw/zinc/23/52/28/339235228.db2.gz KYLIWNRLERJFLU-GOSISDBHSA-N 1 3 320.452 3.676 20 0 DHADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000467389586 339236342 /nfs/dbraw/zinc/23/63/42/339236342.db2.gz LDISHDHCCXRHSN-KDOFPFPSSA-N 1 3 320.452 3.533 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC1CCOCC1 ZINC000468553074 339266127 /nfs/dbraw/zinc/26/61/27/339266127.db2.gz JJKGKHRMJQZMMX-NZSAHSFTSA-N 1 3 310.526 3.682 20 0 DHADHO CCc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000469776541 339299042 /nfs/dbraw/zinc/29/90/42/339299042.db2.gz RFHURGMEDPORTR-QFBILLFUSA-N 1 3 300.490 3.992 20 0 DHADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2cccc(F)c2)s1 ZINC000469857216 339302893 /nfs/dbraw/zinc/30/28/93/339302893.db2.gz SLGVESJXSQEIMT-CHWSQXEVSA-N 1 3 304.434 3.723 20 0 DHADHO Fc1ccccc1CC[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC000469880695 339303657 /nfs/dbraw/zinc/30/36/57/339303657.db2.gz MPAGVVNSKMFNBX-INIZCTEOSA-N 1 3 304.453 3.612 20 0 DHADHO Fc1ccccc1CC[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC000469880695 339303658 /nfs/dbraw/zinc/30/36/58/339303658.db2.gz MPAGVVNSKMFNBX-INIZCTEOSA-N 1 3 304.453 3.612 20 0 DHADHO CCC(O)(CC)CCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000471790605 339354161 /nfs/dbraw/zinc/35/41/61/339354161.db2.gz UCCGTNXGFGPGBC-WMZOPIPTSA-N 1 3 310.526 3.560 20 0 DHADHO CCC(O)(CC)CC[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000471790605 339354162 /nfs/dbraw/zinc/35/41/62/339354162.db2.gz UCCGTNXGFGPGBC-WMZOPIPTSA-N 1 3 310.526 3.560 20 0 DHADHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1CCC(F)(F)F ZINC000471847362 339356021 /nfs/dbraw/zinc/35/60/21/339356021.db2.gz SNSHRJPQCXIULB-HZPDHXFCSA-N 1 3 314.395 3.611 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)[C@H](C)C1 ZINC000473142383 339382446 /nfs/dbraw/zinc/38/24/46/339382446.db2.gz IUFKVJYELAOCKA-FOIQADDNSA-N 1 3 313.489 3.947 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)[C@H](C)C1 ZINC000473142383 339382447 /nfs/dbraw/zinc/38/24/47/339382447.db2.gz IUFKVJYELAOCKA-FOIQADDNSA-N 1 3 313.489 3.947 20 0 DHADHO CCCN(CCC)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000474052849 339399352 /nfs/dbraw/zinc/39/93/52/339399352.db2.gz NMNRQYVPUAENFK-GUDVDZBRSA-N 1 3 310.526 3.683 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000501416398 340080450 /nfs/dbraw/zinc/08/04/50/340080450.db2.gz DOWRCFNHCSSTCW-MSOLQXFVSA-N 1 3 318.505 3.822 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000501416398 340080451 /nfs/dbraw/zinc/08/04/51/340080451.db2.gz DOWRCFNHCSSTCW-MSOLQXFVSA-N 1 3 318.505 3.822 20 0 DHADHO COc1ccc(C)cc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000501791760 340088916 /nfs/dbraw/zinc/08/89/16/340088916.db2.gz BTRHBXLODUCGKE-UHFFFAOYSA-N 1 3 304.478 3.557 20 0 DHADHO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000501876509 340089964 /nfs/dbraw/zinc/08/99/64/340089964.db2.gz NWOKJPHQSJOCDB-WOJBJXKFSA-N 1 3 323.569 3.597 20 0 DHADHO Cc1cc(NC[C@H](c2ccsc2)N(C)C)c2ccccc2[nH+]1 ZINC000502108881 340095417 /nfs/dbraw/zinc/09/54/17/340095417.db2.gz HFXTXNJCWCGZPB-GOSISDBHSA-N 1 3 311.454 3.741 20 0 DHADHO Cc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)ccc1Cl ZINC000503561424 340130742 /nfs/dbraw/zinc/13/07/42/340130742.db2.gz CHFNNBBDQMNUDG-HZPDHXFCSA-N 1 3 324.896 3.627 20 0 DHADHO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000503578792 340131523 /nfs/dbraw/zinc/13/15/23/340131523.db2.gz WEZKOEILMIFCHP-WVHJRZPWSA-N 1 3 324.390 3.602 20 0 DHADHO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000503578792 340131524 /nfs/dbraw/zinc/13/15/24/340131524.db2.gz WEZKOEILMIFCHP-WVHJRZPWSA-N 1 3 324.390 3.602 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000506866064 340203080 /nfs/dbraw/zinc/20/30/80/340203080.db2.gz HTQZNIMAGBOOES-YJBOKZPZSA-N 1 3 304.478 3.957 20 0 DHADHO CC[N@@H+](Cc1ccccc1N(C)C1CCN(C)CC1)CC(C)C ZINC000507135505 340209073 /nfs/dbraw/zinc/20/90/73/340209073.db2.gz SHTPJKGHUGMFIX-UHFFFAOYSA-N 1 3 317.521 3.695 20 0 DHADHO CC[N@H+](Cc1ccccc1N(C)C1CCN(C)CC1)CC(C)C ZINC000507135505 340209074 /nfs/dbraw/zinc/20/90/74/340209074.db2.gz SHTPJKGHUGMFIX-UHFFFAOYSA-N 1 3 317.521 3.695 20 0 DHADHO CCc1cccnc1[C@@H](C)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000507467590 340220939 /nfs/dbraw/zinc/22/09/39/340220939.db2.gz GBBZZXQMRGUXHD-IAGOWNOFSA-N 1 3 303.494 3.949 20 0 DHADHO CCc1cccnc1[C@@H](C)NCCCC[N@H+]1CCCC[C@H]1C ZINC000507467590 340220940 /nfs/dbraw/zinc/22/09/40/340220940.db2.gz GBBZZXQMRGUXHD-IAGOWNOFSA-N 1 3 303.494 3.949 20 0 DHADHO CCc1cccnc1[C@@H](C)NCCCC[NH+]1CCC(C)CC1 ZINC000507472782 340221508 /nfs/dbraw/zinc/22/15/08/340221508.db2.gz RZVVNHDVDFNXPD-QGZVFWFLSA-N 1 3 303.494 3.807 20 0 DHADHO CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)CC(F)(F)F ZINC000402549433 340242227 /nfs/dbraw/zinc/24/22/27/340242227.db2.gz DNHBCPBIXRXGEN-LJISPDSOSA-N 1 3 306.416 3.865 20 0 DHADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000303218507 340313437 /nfs/dbraw/zinc/31/34/37/340313437.db2.gz UPXCFZNISKXOBZ-OAQYLSRUSA-N 1 3 322.496 3.958 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000512082357 340347969 /nfs/dbraw/zinc/34/79/69/340347969.db2.gz IRJUCSKETZSWQF-OICCZTGUSA-N 1 3 308.416 3.688 20 0 DHADHO CCC1(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000512963147 340385821 /nfs/dbraw/zinc/38/58/21/340385821.db2.gz AFZWKIPYFKUOTN-PKOBYXMFSA-N 1 3 322.537 3.826 20 0 DHADHO Cc1ccc(C)c(OCCCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000513153319 340395381 /nfs/dbraw/zinc/39/53/81/340395381.db2.gz ITYBTOPBRAPVJC-DFNIBXOVSA-N 1 3 316.489 3.629 20 0 DHADHO Cc1ccc(C)c(OCCCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000513153319 340395382 /nfs/dbraw/zinc/39/53/82/340395382.db2.gz ITYBTOPBRAPVJC-DFNIBXOVSA-N 1 3 316.489 3.629 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(O)CCCCCC3)CC2)C1 ZINC000513207682 340397231 /nfs/dbraw/zinc/39/72/31/340397231.db2.gz DIOOSQYPZIONTO-IEBWSBKVSA-N 1 3 322.537 3.704 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3(O)CCCCCC3)CC2)C1 ZINC000513207682 340397232 /nfs/dbraw/zinc/39/72/32/340397232.db2.gz DIOOSQYPZIONTO-IEBWSBKVSA-N 1 3 322.537 3.704 20 0 DHADHO CC[NH+]1CCC(CCN[C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191311659 340552717 /nfs/dbraw/zinc/55/27/17/340552717.db2.gz WWWVVKZUYPPEMS-OAHLLOKOSA-N 1 3 306.498 3.545 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000530207166 340782570 /nfs/dbraw/zinc/78/25/70/340782570.db2.gz CCDLQTSJGQAMTI-UTWWYPAYSA-N 1 3 323.278 3.569 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCc2ccccc2CC1 ZINC000530214283 340782665 /nfs/dbraw/zinc/78/26/65/340782665.db2.gz XBWKTWAXWIZZJR-HNNXBMFYSA-N 1 3 323.484 3.695 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000540153900 340917839 /nfs/dbraw/zinc/91/78/39/340917839.db2.gz ROTHPZCZUIOGLP-DOTOQJQBSA-N 1 3 304.478 3.856 20 0 DHADHO CCCC1(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000540160055 340918896 /nfs/dbraw/zinc/91/88/96/340918896.db2.gz RWCUZQIUANMPDT-MRXNPFEDSA-N 1 3 304.478 3.858 20 0 DHADHO CCc1cnc(CC[NH2+]C2CCN(C3CCCCC3)CC2)s1 ZINC000130197511 341005998 /nfs/dbraw/zinc/00/59/98/341005998.db2.gz DBIMSOSZVVJWNQ-UHFFFAOYSA-N 1 3 321.534 3.635 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CCCCS3)CC2)C1 ZINC000542485312 341009675 /nfs/dbraw/zinc/00/96/75/341009675.db2.gz CHRBTZBCAOERCZ-BPQIPLTHSA-N 1 3 310.551 3.905 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CCCCS3)CC2)C1 ZINC000542485312 341009676 /nfs/dbraw/zinc/00/96/76/341009676.db2.gz CHRBTZBCAOERCZ-BPQIPLTHSA-N 1 3 310.551 3.905 20 0 DHADHO COC1CCC(CC[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000542694082 341017484 /nfs/dbraw/zinc/01/74/84/341017484.db2.gz LJRZXRHAXKVKTR-UHFFFAOYSA-N 1 3 322.537 3.968 20 0 DHADHO CC(C)COc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000130815746 341047168 /nfs/dbraw/zinc/04/71/68/341047168.db2.gz VBWCNRQDQJALSI-JFIYKMOQSA-N 1 3 304.478 3.540 20 0 DHADHO c1ccc2c(c1)CC[C@@H](C[NH+]1CCC(N3CCCCC3)CC1)C2 ZINC000543842184 341061325 /nfs/dbraw/zinc/06/13/25/341061325.db2.gz BGGPSYSMGPFQLK-GOSISDBHSA-N 1 3 312.501 3.742 20 0 DHADHO CCSCCNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000547009974 341191420 /nfs/dbraw/zinc/19/14/20/341191420.db2.gz BHSFAMAINDAENY-UHFFFAOYSA-N 1 3 306.519 3.905 20 0 DHADHO Fc1ccc2oc(CN3CCC(C[NH+]4CCCC4)CC3)cc2c1 ZINC000134187457 341208722 /nfs/dbraw/zinc/20/87/22/341208722.db2.gz KYQUXMUWFJDAIL-UHFFFAOYSA-N 1 3 316.420 3.880 20 0 DHADHO CCCN(CC)C[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000550818339 341323568 /nfs/dbraw/zinc/32/35/68/341323568.db2.gz LEMVHNMMLVXZAC-DFQSSKMNSA-N 1 3 317.521 3.532 20 0 DHADHO CCCCN(C)C[C@@H](C)[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000550823716 341323685 /nfs/dbraw/zinc/32/36/85/341323685.db2.gz VUWYZSRXAITMOF-YZGWKJHDSA-N 1 3 317.521 3.532 20 0 DHADHO CCCC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000247169136 341361751 /nfs/dbraw/zinc/36/17/51/341361751.db2.gz YKBOLFRHXGJHHQ-WDYCEAGBSA-N 1 3 304.478 3.999 20 0 DHADHO CCCC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000247169136 341361752 /nfs/dbraw/zinc/36/17/52/341361752.db2.gz YKBOLFRHXGJHHQ-WDYCEAGBSA-N 1 3 304.478 3.999 20 0 DHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC000247162678 341361776 /nfs/dbraw/zinc/36/17/76/341361776.db2.gz XYUJTMLIMOCCFX-NCXUSEDFSA-N 1 3 318.505 3.658 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000247175427 341361920 /nfs/dbraw/zinc/36/19/20/341361920.db2.gz YUOJGBPMYYIPPF-UYAOXDASSA-N 1 3 300.490 3.718 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2OCC(C)C)[C@@H](C)C1 ZINC000247195915 341362029 /nfs/dbraw/zinc/36/20/29/341362029.db2.gz VZYQRJYXYBCVIG-FUHWJXTLSA-N 1 3 304.478 3.541 20 0 DHADHO COCc1ccccc1/C=C(\C)CN(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000552043890 341364444 /nfs/dbraw/zinc/36/44/44/341364444.db2.gz FMSJMAIHIDVTPJ-OKBDBCGNSA-N 1 3 316.489 3.508 20 0 DHADHO COCc1ccccc1/C=C(\C)CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000552043890 341364445 /nfs/dbraw/zinc/36/44/45/341364445.db2.gz FMSJMAIHIDVTPJ-OKBDBCGNSA-N 1 3 316.489 3.508 20 0 DHADHO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000552063656 341366511 /nfs/dbraw/zinc/36/65/11/341366511.db2.gz HIJHRDDQSYFQNM-VQTJNVASSA-N 1 3 316.489 3.684 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000248388476 341376265 /nfs/dbraw/zinc/37/62/65/341376265.db2.gz RDPOWRQFQJEUFX-SUMDDJOVSA-N 1 3 304.453 3.563 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000248388476 341376266 /nfs/dbraw/zinc/37/62/66/341376266.db2.gz RDPOWRQFQJEUFX-SUMDDJOVSA-N 1 3 304.453 3.563 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000248711760 341385045 /nfs/dbraw/zinc/38/50/45/341385045.db2.gz BKCSWRHDOKIQQG-HZPDHXFCSA-N 1 3 304.478 3.856 20 0 DHADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(O)c1 ZINC000249558163 341399280 /nfs/dbraw/zinc/39/92/80/341399280.db2.gz MHWYJWNFZHXCGE-IXDOHACOSA-N 1 3 304.478 3.801 20 0 DHADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(O)c1 ZINC000249558163 341399281 /nfs/dbraw/zinc/39/92/81/341399281.db2.gz MHWYJWNFZHXCGE-IXDOHACOSA-N 1 3 304.478 3.801 20 0 DHADHO c1c2ccccc2oc1[C@H](NCC[C@@H]1CC[NH2+]C1)c1cccnc1 ZINC000566849846 341569830 /nfs/dbraw/zinc/56/98/30/341569830.db2.gz QQCVYQBBWSFHOH-MGPUTAFESA-N 1 3 321.424 3.506 20 0 DHADHO CC[NH+]1CCC(CN[C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000314978961 341653876 /nfs/dbraw/zinc/65/38/76/341653876.db2.gz QEBQMICPUCUNBA-ZDUSSCGKSA-N 1 3 312.404 3.671 20 0 DHADHO CC(C)(C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)CN1CCCC1 ZINC000337277413 519270730 /nfs/dbraw/zinc/27/07/30/519270730.db2.gz FRMJSVUZZGJCHK-HKUYNNGSSA-N 1 3 315.505 3.819 20 0 DHADHO CC(C)n1cc([C@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000157893514 519977857 /nfs/dbraw/zinc/97/78/57/519977857.db2.gz OQWBLGIHTHYQFU-IRXDYDNUSA-N 1 3 306.498 3.769 20 0 DHADHO CC(C)n1cc([C@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000157893514 519977868 /nfs/dbraw/zinc/97/78/68/519977868.db2.gz OQWBLGIHTHYQFU-IRXDYDNUSA-N 1 3 306.498 3.769 20 0 DHADHO CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCN(CC)C3)oc21 ZINC000181527209 521437386 /nfs/dbraw/zinc/43/73/86/521437386.db2.gz BNZSZTKXWJHOOH-LSDHHAIUSA-N 1 3 316.445 3.824 20 0 DHADHO COC[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000157677361 522752353 /nfs/dbraw/zinc/75/23/53/522752353.db2.gz QSOJQIQZQIHYPN-JXFKEZNVSA-N 1 3 316.489 3.576 20 0 DHADHO COC[C@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000157677361 522752361 /nfs/dbraw/zinc/75/23/61/522752361.db2.gz QSOJQIQZQIHYPN-JXFKEZNVSA-N 1 3 316.489 3.576 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccnc2)CC1 ZINC000158897366 524096369 /nfs/dbraw/zinc/09/63/69/524096369.db2.gz PZFXJIHGKXHVHT-QGZVFWFLSA-N 1 3 301.478 3.558 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cccnc2)CC1 ZINC000158897366 524096380 /nfs/dbraw/zinc/09/63/80/524096380.db2.gz PZFXJIHGKXHVHT-QGZVFWFLSA-N 1 3 301.478 3.558 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000364172113 524911209 /nfs/dbraw/zinc/91/12/09/524911209.db2.gz XDSKXXWEKPTINC-GQIGUUNPSA-N 1 3 309.457 3.567 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000364172113 524911220 /nfs/dbraw/zinc/91/12/20/524911220.db2.gz XDSKXXWEKPTINC-GQIGUUNPSA-N 1 3 309.457 3.567 20 0 DHADHO C[C@@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000188775317 525641617 /nfs/dbraw/zinc/64/16/17/525641617.db2.gz OQTDNWOAXFMVIV-YWPYICTPSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000188775317 525641623 /nfs/dbraw/zinc/64/16/23/525641623.db2.gz OQTDNWOAXFMVIV-YWPYICTPSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@@]1(CN)CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000339414386 525830615 /nfs/dbraw/zinc/83/06/15/525830615.db2.gz WQSQXPDRBHQTND-INIZCTEOSA-N 1 3 314.395 3.699 20 0 DHADHO C[C@@]1(CN)CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000339414386 525830620 /nfs/dbraw/zinc/83/06/20/525830620.db2.gz WQSQXPDRBHQTND-INIZCTEOSA-N 1 3 314.395 3.699 20 0 DHADHO Cc1nn(C(C)(C)C)c(C)c1CNCCCCC[NH+]1CCCC1 ZINC000339497482 527575359 /nfs/dbraw/zinc/57/53/59/527575359.db2.gz JWJQXKRPWHJUNB-UHFFFAOYSA-N 1 3 320.525 3.611 20 0 DHADHO CCS[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297780685 535715658 /nfs/dbraw/zinc/71/56/58/535715658.db2.gz WFJZODFHVQYQCR-FUHWJXTLSA-N 1 3 319.518 3.704 20 0 DHADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000289211440 537020794 /nfs/dbraw/zinc/02/07/94/537020794.db2.gz KMNOYQAYBGYHMK-YOEHRIQHSA-N 1 3 320.452 3.532 20 0 DHADHO COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000289211436 537022237 /nfs/dbraw/zinc/02/22/37/537022237.db2.gz KMNOYQAYBGYHMK-WMLDXEAASA-N 1 3 320.452 3.532 20 0 DHADHO C[C@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)CN1CCCC1 ZINC000186595097 1013118685 /nfs/dbraw/zinc/11/86/85/1013118685.db2.gz PLBWFHCJILDNFG-WLYUNCDWSA-N 1 3 306.416 3.677 20 0 DHADHO c1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167973870 1013412825 /nfs/dbraw/zinc/41/28/25/1013412825.db2.gz PFTXZHSVGJYQLF-IHWFROFDSA-N 1 3 310.485 3.713 20 0 DHADHO c1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167973870 1013412831 /nfs/dbraw/zinc/41/28/31/1013412831.db2.gz PFTXZHSVGJYQLF-IHWFROFDSA-N 1 3 310.485 3.713 20 0 DHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000340369286 1013523448 /nfs/dbraw/zinc/52/34/48/1013523448.db2.gz GRULIZJTFOSFLP-DLBZAZTESA-N 1 3 316.489 3.716 20 0 DHADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000340369286 1013523453 /nfs/dbraw/zinc/52/34/53/1013523453.db2.gz GRULIZJTFOSFLP-DLBZAZTESA-N 1 3 316.489 3.716 20 0 DHADHO C[C@@H](Cc1ccccn1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000655837816 1013761907 /nfs/dbraw/zinc/76/19/07/1013761907.db2.gz WRLQSXUXOJWWSI-UWVAXJGDSA-N 1 3 315.505 3.645 20 0 DHADHO C[C@H](N)c1nccn1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168005683 1014404516 /nfs/dbraw/zinc/40/45/16/1014404516.db2.gz KCIYLWSBDZISRG-OAGGEKHMSA-N 1 3 312.461 3.517 20 0 DHADHO Cc1cc2c(cc1C)[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)CCS2 ZINC000427691162 1014515685 /nfs/dbraw/zinc/51/56/85/1014515685.db2.gz SLQVYLXFYXQQNR-YQQAZPJKSA-N 1 3 304.503 3.913 20 0 DHADHO Cc1cc2c(cc1C)[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)CCS2 ZINC000427691162 1014515689 /nfs/dbraw/zinc/51/56/89/1014515689.db2.gz SLQVYLXFYXQQNR-YQQAZPJKSA-N 1 3 304.503 3.913 20 0 DHADHO CSc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000581251284 1014652438 /nfs/dbraw/zinc/65/24/38/1014652438.db2.gz KTMUDHRZUHKBQK-DDUZABMNSA-N 1 3 304.503 3.858 20 0 DHADHO CSc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000581251284 1014652446 /nfs/dbraw/zinc/65/24/46/1014652446.db2.gz KTMUDHRZUHKBQK-DDUZABMNSA-N 1 3 304.503 3.858 20 0 DHADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC12CC(C1)CN2 ZINC000665279856 1014662474 /nfs/dbraw/zinc/66/24/74/1014662474.db2.gz NQZVCKJNKDEQSK-ZUIJCZDSSA-N 1 3 311.473 3.566 20 0 DHADHO CN(Cc1cccc(Cl)c1)Cc1cccc2c1CC[NH2+]C2 ZINC000123917114 1014784137 /nfs/dbraw/zinc/78/41/37/1014784137.db2.gz KREDSIWSVZZGSA-UHFFFAOYSA-N 1 3 300.833 3.618 20 0 DHADHO CC1([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC(F)(F)C1 ZINC000895477798 1015175305 /nfs/dbraw/zinc/17/53/05/1015175305.db2.gz RJWQLFQCDMUCEM-ULQDDVLXSA-N 1 3 320.427 3.817 20 0 DHADHO CC1(N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC(F)(F)C1 ZINC000895477798 1015175308 /nfs/dbraw/zinc/17/53/08/1015175308.db2.gz RJWQLFQCDMUCEM-ULQDDVLXSA-N 1 3 320.427 3.817 20 0 DHADHO CC1(N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC(F)(F)C1 ZINC000895477798 1015175317 /nfs/dbraw/zinc/17/53/17/1015175317.db2.gz RJWQLFQCDMUCEM-ULQDDVLXSA-N 1 3 320.427 3.817 20 0 DHADHO Cc1cc(C[NH+]2CCC(C)(N3CCC3)CC2)cc2cccnc12 ZINC000895669634 1015254379 /nfs/dbraw/zinc/25/43/79/1015254379.db2.gz ABGSDNSLGXKDNS-UHFFFAOYSA-N 1 3 309.457 3.603 20 0 DHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000178037779 1017153486 /nfs/dbraw/zinc/15/34/86/1017153486.db2.gz AABWRRRDUBBGNA-XHSDSOJGSA-N 1 3 324.896 3.880 20 0 DHADHO C[NH+]1CCC(CCNCc2ccc(Cl)cc2Cl)CC1 ZINC000134404295 1015474648 /nfs/dbraw/zinc/47/46/48/1015474648.db2.gz RGBPYTCTFYRMLB-UHFFFAOYSA-N 1 3 301.261 3.815 20 0 DHADHO COCCSc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000341752222 1015717601 /nfs/dbraw/zinc/71/76/01/1015717601.db2.gz UVAXPYFVERZPOH-RDJZCZTQSA-N 1 3 322.518 3.560 20 0 DHADHO Cc1ccc([C@H](N[C@@H](C)C2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000684557814 1015736796 /nfs/dbraw/zinc/73/67/96/1015736796.db2.gz JDXQZHVATBMXRC-UWJYYQICSA-N 1 3 323.484 3.799 20 0 DHADHO CCCOc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000535782242 1015823527 /nfs/dbraw/zinc/82/35/27/1015823527.db2.gz HSLFQNZWZDAFHC-UHFFFAOYSA-N 1 3 304.478 3.780 20 0 DHADHO CCCOc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000535782242 1015823536 /nfs/dbraw/zinc/82/35/36/1015823536.db2.gz HSLFQNZWZDAFHC-UHFFFAOYSA-N 1 3 304.478 3.780 20 0 DHADHO CCc1oc2ccccc2c1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000535806191 1015835548 /nfs/dbraw/zinc/83/55/48/1015835548.db2.gz KARCCYWQJOKWRL-QAPCUYQASA-N 1 3 312.457 3.911 20 0 DHADHO CCc1oc2ccccc2c1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000535806191 1015835556 /nfs/dbraw/zinc/83/55/56/1015835556.db2.gz KARCCYWQJOKWRL-QAPCUYQASA-N 1 3 312.457 3.911 20 0 DHADHO CCc1oc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000535806191 1015835565 /nfs/dbraw/zinc/83/55/65/1015835565.db2.gz KARCCYWQJOKWRL-QAPCUYQASA-N 1 3 312.457 3.911 20 0 DHADHO CCc1oc2ccccc2c1C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000535806191 1015835572 /nfs/dbraw/zinc/83/55/72/1015835572.db2.gz KARCCYWQJOKWRL-QAPCUYQASA-N 1 3 312.457 3.911 20 0 DHADHO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000281295275 1016453884 /nfs/dbraw/zinc/45/38/84/1016453884.db2.gz QSMLNDJXLDLBQY-ROUUACIJSA-N 1 3 303.494 3.736 20 0 DHADHO Cc1cccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000346635054 1016490015 /nfs/dbraw/zinc/49/00/15/1016490015.db2.gz RZZKVPSKVNDTIJ-UHFFFAOYSA-N 1 3 323.484 3.734 20 0 DHADHO Cc1cccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000346635054 1016490023 /nfs/dbraw/zinc/49/00/23/1016490023.db2.gz RZZKVPSKVNDTIJ-UHFFFAOYSA-N 1 3 323.484 3.734 20 0 DHADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346632681 1016491171 /nfs/dbraw/zinc/49/11/71/1016491171.db2.gz DMQSMSMIDIXKPF-STQMWFEESA-N 1 3 304.434 3.723 20 0 DHADHO CC[NH2+]CC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000347023052 1016696494 /nfs/dbraw/zinc/69/64/94/1016696494.db2.gz PEPRXQXRUQRICI-UHFFFAOYSA-N 1 3 321.515 3.693 20 0 DHADHO Fc1c(CNCCCCC[NH+]2CCCC2)cccc1OC1CC1 ZINC000657474294 1016952676 /nfs/dbraw/zinc/95/26/76/1016952676.db2.gz FWXVPLNWQWWKEF-UHFFFAOYSA-N 1 3 320.452 3.723 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623344308 1016973738 /nfs/dbraw/zinc/97/37/38/1016973738.db2.gz GEYLLJCWXZJBFK-AWEZNQCLSA-N 1 3 300.368 3.668 20 0 DHADHO CN1CC[C@@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC1(C)C ZINC000623374677 1017007312 /nfs/dbraw/zinc/00/73/12/1017007312.db2.gz KXUAJXYRSUZBHW-IUODEOHRSA-N 1 3 308.853 3.626 20 0 DHADHO Fc1cccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000380075416 1017016670 /nfs/dbraw/zinc/01/66/70/1017016670.db2.gz CWEXMVOZTWICJE-WOJBJXKFSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1cccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000380075416 1017016681 /nfs/dbraw/zinc/01/66/81/1017016681.db2.gz CWEXMVOZTWICJE-WOJBJXKFSA-N 1 3 324.443 3.780 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@H]2N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623437800 1017055439 /nfs/dbraw/zinc/05/54/39/1017055439.db2.gz ZQVGNHMXGKUIMJ-QRVBRYPASA-N 1 3 316.489 3.678 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@H]2N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623437800 1017055447 /nfs/dbraw/zinc/05/54/47/1017055447.db2.gz ZQVGNHMXGKUIMJ-QRVBRYPASA-N 1 3 316.489 3.678 20 0 DHADHO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)CCC2 ZINC000361965499 1032175119 /nfs/dbraw/zinc/17/51/19/1032175119.db2.gz DHSFJFBZMPAIRM-GPMSIDNRSA-N 1 3 302.462 3.535 20 0 DHADHO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)CCC2 ZINC000361965500 1032175466 /nfs/dbraw/zinc/17/54/66/1032175466.db2.gz DHSFJFBZMPAIRM-JTDSTZFVSA-N 1 3 302.462 3.535 20 0 DHADHO C[NH+](C)C1CCC(N2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001168314939 1032224176 /nfs/dbraw/zinc/22/41/76/1032224176.db2.gz ILNAFMLOKNQORF-GRERDSQWSA-N 1 3 323.484 3.766 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1(C)C ZINC000623471803 1032250298 /nfs/dbraw/zinc/25/02/98/1032250298.db2.gz UDHGFRPYJXFCCD-YTQUADARSA-N 1 3 316.489 3.617 20 0 DHADHO C[N@H+]1CC[C@H](N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1(C)C ZINC000623471803 1032250309 /nfs/dbraw/zinc/25/03/09/1032250309.db2.gz UDHGFRPYJXFCCD-YTQUADARSA-N 1 3 316.489 3.617 20 0 DHADHO Cc1ccc(SC[C@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623495283 1017072347 /nfs/dbraw/zinc/07/23/47/1017072347.db2.gz XLVFXBBQFYZRPU-JKSUJKDBSA-N 1 3 306.519 3.938 20 0 DHADHO Cc1ccc(SC[C@H](C)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623495283 1017072357 /nfs/dbraw/zinc/07/23/57/1017072357.db2.gz XLVFXBBQFYZRPU-JKSUJKDBSA-N 1 3 306.519 3.938 20 0 DHADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000179630976 1017275947 /nfs/dbraw/zinc/27/59/47/1017275947.db2.gz QMDAYJGJRYDJMU-CQSZACIVSA-N 1 3 318.461 3.938 20 0 DHADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000179630976 1017275952 /nfs/dbraw/zinc/27/59/52/1017275952.db2.gz QMDAYJGJRYDJMU-CQSZACIVSA-N 1 3 318.461 3.938 20 0 DHADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)C1CCC(F)(F)CC1 ZINC000475205953 1017083085 /nfs/dbraw/zinc/08/30/85/1017083085.db2.gz AXYBFACIYGOEDM-AWEZNQCLSA-N 1 3 302.453 3.912 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(C(F)F)CC2)CC1 ZINC000475214605 1017087694 /nfs/dbraw/zinc/08/76/94/1017087694.db2.gz JKLMFFTVDRKWOZ-HIFRSBDPSA-N 1 3 300.437 3.664 20 0 DHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1Cl ZINC000177263796 1017097971 /nfs/dbraw/zinc/09/79/71/1017097971.db2.gz PCKHUEYODRUWPF-OAGGEKHMSA-N 1 3 324.896 3.880 20 0 DHADHO COC(C)(C)C[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000121986467 1032498021 /nfs/dbraw/zinc/49/80/21/1032498021.db2.gz TZQZFAYIXQYOFQ-SOLBZPMBSA-N 1 3 310.526 3.823 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCCCS2)CC1 ZINC000541555114 1032581412 /nfs/dbraw/zinc/58/14/12/1032581412.db2.gz MKNAEXVBOBLZQM-NXHRZFHOSA-N 1 3 310.551 3.905 20 0 DHADHO CSc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000579711786 1011961687 /nfs/dbraw/zinc/96/16/87/1011961687.db2.gz HCURBVHKMQLRDY-KUHUBIRLSA-N 1 3 316.514 3.860 20 0 DHADHO CSc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000579711786 1011961690 /nfs/dbraw/zinc/96/16/90/1011961690.db2.gz HCURBVHKMQLRDY-KUHUBIRLSA-N 1 3 316.514 3.860 20 0 DHADHO CC[NH+](CC)CCCN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000683141846 1012105956 /nfs/dbraw/zinc/10/59/56/1012105956.db2.gz WYIGGUGAKUKADD-VQTJNVASSA-N 1 3 318.505 3.818 20 0 DHADHO Clc1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997019 1032626670 /nfs/dbraw/zinc/62/66/70/1032626670.db2.gz WOYHNJQUBWGFPM-XAWIXRBMSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccc(C2CC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997019 1032626680 /nfs/dbraw/zinc/62/66/80/1032626680.db2.gz WOYHNJQUBWGFPM-XAWIXRBMSA-N 1 3 304.865 3.802 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2cncn2C(C)C)CC1 ZINC000425353301 1012475323 /nfs/dbraw/zinc/47/53/23/1012475323.db2.gz NHXHLEXIELGQAB-UHFFFAOYSA-N 1 3 320.525 3.798 20 0 DHADHO Cc1nc(-c2ccc(CCN[C@@H]3CCC[C@H]([NH3+])C3)s2)cs1 ZINC000515497942 1012639347 /nfs/dbraw/zinc/63/93/47/1012639347.db2.gz CRUIECBZDDIKPG-QWHCGFSZSA-N 1 3 321.515 3.582 20 0 DHADHO CCOc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000123720282 1032656576 /nfs/dbraw/zinc/65/65/76/1032656576.db2.gz WOCZTDSVUYLPSO-INIZCTEOSA-N 1 3 312.457 3.998 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1)CN(C)C ZINC000425941989 1012980823 /nfs/dbraw/zinc/98/08/23/1012980823.db2.gz DEWKXILVCNVLTM-OLZOCXBDSA-N 1 3 316.461 3.892 20 0 DHADHO C[C@H]1C[C@H](CC[NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC000366682684 1012983611 /nfs/dbraw/zinc/98/36/11/1012983611.db2.gz TZIIDPAQIVKHIP-ZWKOTPCHSA-N 1 3 322.537 3.826 20 0 DHADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](C)CN(C)C)cc1F ZINC000425954682 1013008830 /nfs/dbraw/zinc/00/88/30/1013008830.db2.gz WOSYGIVPTCOKQH-ZVZYQTTQSA-N 1 3 322.468 3.648 20 0 DHADHO C[NH+](C)Cc1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000342743419 1017143533 /nfs/dbraw/zinc/14/35/33/1017143533.db2.gz UNANFQQVOZTSAT-LJQANCHMSA-N 1 3 313.420 3.523 20 0 DHADHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000178040836 1017152422 /nfs/dbraw/zinc/15/24/22/1017152422.db2.gz XVYOKSSALSEFCH-KSZLIROESA-N 1 3 304.478 3.535 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000623657140 1017155390 /nfs/dbraw/zinc/15/53/90/1017155390.db2.gz KKKBCLMXFQCNKY-SFHVURJKSA-N 1 3 309.457 3.570 20 0 DHADHO CN1CCCC[C@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000623656568 1017156750 /nfs/dbraw/zinc/15/67/50/1017156750.db2.gz XNDQGYGIQPBQCS-CQSZACIVSA-N 1 3 317.864 3.710 20 0 DHADHO FC1(F)CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716619399 1032698122 /nfs/dbraw/zinc/69/81/22/1032698122.db2.gz CVLPWZCHOXSVIQ-XSLAGTTESA-N 1 3 320.427 3.817 20 0 DHADHO C[C@@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1(F)F ZINC000716731673 1032705742 /nfs/dbraw/zinc/70/57/42/1032705742.db2.gz MFLAZAWFWCLGOY-XSLAGTTESA-N 1 3 320.427 3.674 20 0 DHADHO C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)CC(F)F ZINC000716727108 1032706150 /nfs/dbraw/zinc/70/61/50/1032706150.db2.gz IDLCXPVKRNFXTC-OWLYRPNTSA-N 1 3 322.443 3.920 20 0 DHADHO CCc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657612260 1017571226 /nfs/dbraw/zinc/57/12/26/1017571226.db2.gz KQTRRUNZLJLCFS-UHFFFAOYSA-N 1 3 323.484 3.646 20 0 DHADHO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624119837 1017691940 /nfs/dbraw/zinc/69/19/40/1017691940.db2.gz KSBCMGNVRQPEKQ-IRXDYDNUSA-N 1 3 304.478 3.856 20 0 DHADHO CN1CCCC[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000624122980 1017696466 /nfs/dbraw/zinc/69/64/66/1017696466.db2.gz CCZWSDQILLHHKQ-LRYGQEGESA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000624123485 1017696784 /nfs/dbraw/zinc/69/67/84/1017696784.db2.gz MZFDEAQLUNZVBT-KBPBESRZSA-N 1 3 303.475 3.679 20 0 DHADHO C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cc2ccncc2s1 ZINC000624123485 1017696789 /nfs/dbraw/zinc/69/67/89/1017696789.db2.gz MZFDEAQLUNZVBT-KBPBESRZSA-N 1 3 303.475 3.679 20 0 DHADHO C[N@@H+]1CCCC[C@@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124215 1017697979 /nfs/dbraw/zinc/69/79/79/1017697979.db2.gz ZXNAPRGNLLIMCJ-KXBFYZLASA-N 1 3 311.473 3.867 20 0 DHADHO C[N@H+]1CCCC[C@@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124215 1017697984 /nfs/dbraw/zinc/69/79/84/1017697984.db2.gz ZXNAPRGNLLIMCJ-KXBFYZLASA-N 1 3 311.473 3.867 20 0 DHADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000624124215 1017697992 /nfs/dbraw/zinc/69/79/92/1017697992.db2.gz ZXNAPRGNLLIMCJ-KXBFYZLASA-N 1 3 311.473 3.867 20 0 DHADHO CC(C)Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC001167647000 1017939762 /nfs/dbraw/zinc/93/97/62/1017939762.db2.gz JLBSEVNVAKHHTP-VQTJNVASSA-N 1 3 300.490 3.801 20 0 DHADHO CC(C)Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC001167647000 1017939772 /nfs/dbraw/zinc/93/97/72/1017939772.db2.gz JLBSEVNVAKHHTP-VQTJNVASSA-N 1 3 300.490 3.801 20 0 DHADHO CCCN1CC[C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000367308124 1018101822 /nfs/dbraw/zinc/10/18/22/1018101822.db2.gz NGGPQBNRUOSLED-MJJDPTRDSA-N 1 3 308.416 3.532 20 0 DHADHO C[C@@H]([NH2+]CCCOc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185690748 1018125002 /nfs/dbraw/zinc/12/50/02/1018125002.db2.gz CULLDHBCOPNQDO-QZTJIDSGSA-N 1 3 316.489 3.698 20 0 DHADHO CC1(C)[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)C1(F)F ZINC000657736956 1018136275 /nfs/dbraw/zinc/13/62/75/1018136275.db2.gz AAOKNQBBBGKCLU-OAHLLOKOSA-N 1 3 300.437 3.664 20 0 DHADHO C[C@H](c1ccccc1)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000245386852 1018149071 /nfs/dbraw/zinc/14/90/71/1018149071.db2.gz RAJDYECEYIHHTQ-KZNAEPCWSA-N 1 3 316.489 3.569 20 0 DHADHO CN1CC[C@@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CC1(C)C ZINC000623476482 1032748764 /nfs/dbraw/zinc/74/87/64/1032748764.db2.gz BHDZGMKFUHIRHD-CQSZACIVSA-N 1 3 308.416 3.806 20 0 DHADHO C[C@H](CCN1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000447730879 1018459669 /nfs/dbraw/zinc/45/96/69/1018459669.db2.gz LQLQDIBUOBNLOQ-MJGOQNOKSA-N 1 3 300.490 3.844 20 0 DHADHO C[C@H](CCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000447730879 1018459686 /nfs/dbraw/zinc/45/96/86/1018459686.db2.gz LQLQDIBUOBNLOQ-MJGOQNOKSA-N 1 3 300.490 3.844 20 0 DHADHO CC[C@H](OCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000650710527 1018532804 /nfs/dbraw/zinc/53/28/04/1018532804.db2.gz QSNIHGKPJAGYNA-WTGUMLROSA-N 1 3 316.489 3.665 20 0 DHADHO CCC[NH+]1CCC(N[C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000675733558 1018565905 /nfs/dbraw/zinc/56/59/05/1018565905.db2.gz AZXGNOGIUMPUGG-LIRRHRJNSA-N 1 3 304.453 3.913 20 0 DHADHO CCC[NH+]1CCC(N[C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000675733555 1018566238 /nfs/dbraw/zinc/56/62/38/1018566238.db2.gz AZXGNOGIUMPUGG-AUUYWEPGSA-N 1 3 304.453 3.913 20 0 DHADHO C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000647299431 1018567787 /nfs/dbraw/zinc/56/77/87/1018567787.db2.gz GUFVAIXUVMGQIF-KBPBESRZSA-N 1 3 300.437 3.807 20 0 DHADHO CCC[NH+]1CCC(N[C@H](C)COc2c(C)cccc2C)CC1 ZINC000675769615 1018584915 /nfs/dbraw/zinc/58/49/15/1018584915.db2.gz CAAKJQFUVITBNE-QGZVFWFLSA-N 1 3 304.478 3.535 20 0 DHADHO C[C@@H](C[N@@H+]1CCCN(c2ccncc2)CC1)C1CCCCC1 ZINC001171554682 1032775216 /nfs/dbraw/zinc/77/52/16/1032775216.db2.gz NFAQYCJMKXWATQ-KRWDZBQOSA-N 1 3 301.478 3.810 20 0 DHADHO C[C@@H](C[N@H+]1CCCN(c2ccncc2)CC1)C1CCCCC1 ZINC001171554682 1032775232 /nfs/dbraw/zinc/77/52/32/1032775232.db2.gz NFAQYCJMKXWATQ-KRWDZBQOSA-N 1 3 301.478 3.810 20 0 DHADHO CC(C)C[NH+]1CCC(NCC(C)(C)Oc2ccccc2)CC1 ZINC000675884062 1018624565 /nfs/dbraw/zinc/62/45/65/1018624565.db2.gz NNAGUWQTKNZFHT-UHFFFAOYSA-N 1 3 304.478 3.554 20 0 DHADHO C[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccncc1 ZINC000675927521 1018628034 /nfs/dbraw/zinc/62/80/34/1018628034.db2.gz HOJTWMULWZBJHL-MBOZVWFJSA-N 1 3 315.505 3.818 20 0 DHADHO C[C@@H](CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccncc1 ZINC000675928382 1018633250 /nfs/dbraw/zinc/63/32/50/1018633250.db2.gz SNESPPGOZJUKQR-UWVAXJGDSA-N 1 3 315.505 3.818 20 0 DHADHO COc1ccc2cc([C@@H](C)N[C@@H](C)CC[NH+](C)C)ccc2c1 ZINC000315401200 1032777354 /nfs/dbraw/zinc/77/73/54/1032777354.db2.gz UYBFYPLACAZCFI-LSDHHAIUSA-N 1 3 300.446 3.839 20 0 DHADHO CCOc1cccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000765238241 1018726800 /nfs/dbraw/zinc/72/68/00/1018726800.db2.gz NOPHRQYWORUMBV-DLBZAZTESA-N 1 3 304.478 3.858 20 0 DHADHO [NH3+]CC1([C@@H]2CCCCN2CC[C@H]2CC2(Cl)Cl)CCC1 ZINC000903811194 1018762225 /nfs/dbraw/zinc/76/22/25/1018762225.db2.gz JNQIKUZVRYQACW-STQMWFEESA-N 1 3 305.293 3.554 20 0 DHADHO CC[NH+]1CCC(N[C@@H]2CCCc3ccc(SC)cc32)CC1 ZINC000583994973 1018809806 /nfs/dbraw/zinc/80/98/06/1018809806.db2.gz WLSDMGZINZGWAJ-GOSISDBHSA-N 1 3 304.503 3.860 20 0 DHADHO C1CC1[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000922898902 1018885073 /nfs/dbraw/zinc/88/50/73/1018885073.db2.gz ZGHREUPITMJTSQ-YLJYHZDGSA-N 1 3 320.521 3.578 20 0 DHADHO COc1ccc2c(c1)C[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171632133 1032794936 /nfs/dbraw/zinc/79/49/36/1032794936.db2.gz VSJNXVUISWUROC-UHFFFAOYSA-N 1 3 316.489 3.705 20 0 DHADHO COc1ccc2c(c1)C[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171632133 1032794951 /nfs/dbraw/zinc/79/49/51/1032794951.db2.gz VSJNXVUISWUROC-UHFFFAOYSA-N 1 3 316.489 3.705 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NCc2ccccc2COCc2ccccc2)C1 ZINC000656193173 1018942795 /nfs/dbraw/zinc/94/27/95/1018942795.db2.gz WULPGBZGMDTTEP-LEWJYISDSA-N 1 3 324.468 3.763 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168684220 1018968147 /nfs/dbraw/zinc/96/81/47/1018968147.db2.gz HHVKQAAIPGUKOJ-MRXNPFEDSA-N 1 3 306.881 3.519 20 0 DHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168686521 1018980358 /nfs/dbraw/zinc/98/03/58/1018980358.db2.gz YUXOXOICAYTZCN-BFYDXBDKSA-N 1 3 320.908 3.765 20 0 DHADHO Cc1ccc(N2C[C@@H](CC[NH3+])c3ccccc32)c(CN(C)C)c1 ZINC001168550323 1019037209 /nfs/dbraw/zinc/03/72/09/1019037209.db2.gz YTHGLDZROOKWGA-MRXNPFEDSA-N 1 3 309.457 3.641 20 0 DHADHO C[C@@H](C[NH2+]C1CC(C)(C)N(C)C(C)(C)C1)c1ccc(O)cc1 ZINC001171623431 1032807259 /nfs/dbraw/zinc/80/72/59/1032807259.db2.gz YJLXQFAQTFGSCL-AWEZNQCLSA-N 1 3 304.478 3.737 20 0 DHADHO C[NH+]1C(C)(C)CC(NCCC(=O)c2ccccc2)CC1(C)C ZINC001171623766 1032806990 /nfs/dbraw/zinc/80/69/90/1032806990.db2.gz FRBVBJYLGTUZLT-UHFFFAOYSA-N 1 3 302.462 3.500 20 0 DHADHO C[C@@H](CCCC(F)(F)F)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635006647 1019131887 /nfs/dbraw/zinc/13/18/87/1019131887.db2.gz MHFCPVHJNSZMRT-ZFWWWQNUSA-N 1 3 302.384 3.657 20 0 DHADHO c1ccc(CCN2CC[C@@H](C[NH2+]C3CCCCCC3)C2)cc1 ZINC000076443462 1019138958 /nfs/dbraw/zinc/13/89/58/1019138958.db2.gz QCJAPSDDDGVNLL-IBGZPJMESA-N 1 3 300.490 3.863 20 0 DHADHO Cc1ccc(C(C)(C)CNC2CC(C)(C)[NH+](C)C(C)(C)C2)nc1 ZINC001171627133 1032809998 /nfs/dbraw/zinc/80/99/98/1032809998.db2.gz LIYBQBBJWPRYBC-UHFFFAOYSA-N 1 3 317.521 3.909 20 0 DHADHO Cc1nc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)sc1C(C)(C)C ZINC000923361529 1019155663 /nfs/dbraw/zinc/15/56/63/1019155663.db2.gz FVYOOFXXAMYAIJ-HUUCEWRRSA-N 1 3 321.534 3.571 20 0 DHADHO CC[C@@H](CN[C@H]1CCCc2cc(OC)ccc21)[NH+]1CCCC1 ZINC000347919030 1019165818 /nfs/dbraw/zinc/16/58/18/1019165818.db2.gz JYAZZDCSJUHDRM-LPHOPBHVSA-N 1 3 302.462 3.537 20 0 DHADHO CC[C@@H](CN[C@@H]1CCCc2cc(OC)ccc21)[NH+]1CCCC1 ZINC000347919031 1019167352 /nfs/dbraw/zinc/16/73/52/1019167352.db2.gz JYAZZDCSJUHDRM-QFBILLFUSA-N 1 3 302.462 3.537 20 0 DHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCCCOc2ccccc2)C1 ZINC000081635638 1019223300 /nfs/dbraw/zinc/22/33/00/1019223300.db2.gz XNRSOJNEKXUKCK-IBGZPJMESA-N 1 3 316.489 3.509 20 0 DHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCCOc2ccccc2)C1 ZINC000081635638 1019223307 /nfs/dbraw/zinc/22/33/07/1019223307.db2.gz XNRSOJNEKXUKCK-IBGZPJMESA-N 1 3 316.489 3.509 20 0 DHADHO CCCN1C[C@@H]2C[N@H+]([C@@H](C)CCc3ccc(C)cc3)C[C@@H]2C1 ZINC001171682444 1032835668 /nfs/dbraw/zinc/83/56/68/1032835668.db2.gz VPTCSQYTOCWIAX-YSIASYRMSA-N 1 3 300.490 3.590 20 0 DHADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](C)CCc3ccc(C)cc3)C[C@@H]2C1 ZINC001171682444 1032835680 /nfs/dbraw/zinc/83/56/80/1032835680.db2.gz VPTCSQYTOCWIAX-YSIASYRMSA-N 1 3 300.490 3.590 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CCOC3(CCCCC3)C2)CC1(C)C ZINC001171643999 1032837876 /nfs/dbraw/zinc/83/78/76/1032837876.db2.gz ZGEGYPGGGCNJFJ-UHFFFAOYSA-N 1 3 308.510 3.673 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CCOC3(CCCCC3)C2)CC1(C)C ZINC001171643999 1032837889 /nfs/dbraw/zinc/83/78/89/1032837889.db2.gz ZGEGYPGGGCNJFJ-UHFFFAOYSA-N 1 3 308.510 3.673 20 0 DHADHO Fc1ccc(/C=C\C[NH2+]C2CC(N3CCCCC3)C2)cc1F ZINC000671719365 1019686265 /nfs/dbraw/zinc/68/62/65/1019686265.db2.gz MYEHDWNTLMBELV-PLNGDYQASA-N 1 3 306.400 3.585 20 0 DHADHO C[NH+](C)Cc1cccc(CNCc2cnc3ccccc3c2)c1 ZINC000727465640 1019717237 /nfs/dbraw/zinc/71/72/37/1019717237.db2.gz NIYIUTZCPWYZKV-UHFFFAOYSA-N 1 3 305.425 3.586 20 0 DHADHO CC(C)CCOc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000060816739 1019723257 /nfs/dbraw/zinc/72/32/57/1019723257.db2.gz KXARFZCWCFKAAV-UHFFFAOYSA-N 1 3 306.494 3.789 20 0 DHADHO CCC[NH+]1CCC(N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166022060 1019768696 /nfs/dbraw/zinc/76/86/96/1019768696.db2.gz UXEZPXYHDCWWOV-FXAWDEMLSA-N 1 3 316.489 3.618 20 0 DHADHO C[C@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000858357980 1032860917 /nfs/dbraw/zinc/86/09/17/1032860917.db2.gz LLJGZTXJUTZFRQ-LPHOPBHVSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000858357980 1032860927 /nfs/dbraw/zinc/86/09/27/1032860927.db2.gz LLJGZTXJUTZFRQ-LPHOPBHVSA-N 1 3 308.510 3.578 20 0 DHADHO Cc1cnc(Cl)c(CNCCC2CC[NH+](C(C)C)CC2)c1 ZINC000922302646 1019984709 /nfs/dbraw/zinc/98/47/09/1019984709.db2.gz CQLSGBPHRDKIQT-UHFFFAOYSA-N 1 3 309.885 3.644 20 0 DHADHO CC[C@H](COCC1CC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000658090251 1020135923 /nfs/dbraw/zinc/13/59/23/1020135923.db2.gz HGFJTKNRCMANDP-ILZDJORESA-N 1 3 322.537 3.824 20 0 DHADHO CC1(C)CCc2cc(CNC3CC[NH+](C4CC4)CC3)ccc2O1 ZINC000731675121 1020136034 /nfs/dbraw/zinc/13/60/34/1020136034.db2.gz JJNZTQHTDMGGRF-UHFFFAOYSA-N 1 3 314.473 3.507 20 0 DHADHO CC(C)N1CCC([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000731675394 1020137063 /nfs/dbraw/zinc/13/70/63/1020137063.db2.gz SHUVNPXCMZUKMC-UHFFFAOYSA-N 1 3 316.489 3.753 20 0 DHADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165283 1020200110 /nfs/dbraw/zinc/20/01/10/1020200110.db2.gz HYRYCDOKRZFVDT-YRWFTTLQSA-N 1 3 315.505 3.708 20 0 DHADHO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000658217679 1020246854 /nfs/dbraw/zinc/24/68/54/1020246854.db2.gz HIUMXUKFZYZPGW-BHYGNILZSA-N 1 3 308.416 3.532 20 0 DHADHO COc1ccc(CNC[C@@H]2CCCC[N@H+](C)C2)c2ccccc12 ZINC000623656495 1020341147 /nfs/dbraw/zinc/34/11/47/1020341147.db2.gz VJTXZNMHGQYSBY-INIZCTEOSA-N 1 3 312.457 3.670 20 0 DHADHO COc1ccc(CNC[C@@H]2CCCC[N@@H+](C)C2)c2ccccc12 ZINC000623656495 1020341152 /nfs/dbraw/zinc/34/11/52/1020341152.db2.gz VJTXZNMHGQYSBY-INIZCTEOSA-N 1 3 312.457 3.670 20 0 DHADHO COc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)c2ccccc12 ZINC000623656495 1020341163 /nfs/dbraw/zinc/34/11/63/1020341163.db2.gz VJTXZNMHGQYSBY-INIZCTEOSA-N 1 3 312.457 3.670 20 0 DHADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000623657807 1020341989 /nfs/dbraw/zinc/34/19/89/1020341989.db2.gz ZMEAFSYIROQURT-GOEBONIOSA-N 1 3 306.881 3.519 20 0 DHADHO COCc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000340172228 1020368747 /nfs/dbraw/zinc/36/87/47/1020368747.db2.gz QVPNFYBZFCVNQO-LEWJYISDSA-N 1 3 324.468 3.758 20 0 DHADHO COCc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000340172228 1020368761 /nfs/dbraw/zinc/36/87/61/1020368761.db2.gz QVPNFYBZFCVNQO-LEWJYISDSA-N 1 3 324.468 3.758 20 0 DHADHO COCc1ccccc1CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340171040 1020369254 /nfs/dbraw/zinc/36/92/54/1020369254.db2.gz FMQNEMAHEZYDOR-LEWJYISDSA-N 1 3 324.468 3.758 20 0 DHADHO COCc1ccccc1CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340171040 1020369265 /nfs/dbraw/zinc/36/92/65/1020369265.db2.gz FMQNEMAHEZYDOR-LEWJYISDSA-N 1 3 324.468 3.758 20 0 DHADHO CCC[C@@H](C)CCCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000625117028 1020379196 /nfs/dbraw/zinc/37/91/96/1020379196.db2.gz DFLIZPVNVHTGOG-AQNXPRMDSA-N 1 3 323.569 3.693 20 0 DHADHO CCC[C@@H](C)CCCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000625117028 1020379206 /nfs/dbraw/zinc/37/92/06/1020379206.db2.gz DFLIZPVNVHTGOG-AQNXPRMDSA-N 1 3 323.569 3.693 20 0 DHADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000766045676 1020597237 /nfs/dbraw/zinc/59/72/37/1020597237.db2.gz TUVJEONBLBQSSA-KSSFIOAISA-N 1 3 304.478 3.639 20 0 DHADHO CC1(C)C[C@H](NCCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC001171962081 1032933590 /nfs/dbraw/zinc/93/35/90/1032933590.db2.gz BHOLWMQRKRKIBL-GOSISDBHSA-N 1 3 312.457 3.855 20 0 DHADHO CC1(C)C[C@H](NCCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC001171962081 1032933597 /nfs/dbraw/zinc/93/35/97/1032933597.db2.gz BHOLWMQRKRKIBL-GOSISDBHSA-N 1 3 312.457 3.855 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c(C)c1 ZINC000414132733 1020922757 /nfs/dbraw/zinc/92/27/57/1020922757.db2.gz ZVLLWZHDLBXJSD-SJORKVTESA-N 1 3 304.478 3.775 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c(C)c1 ZINC000414132732 1020923651 /nfs/dbraw/zinc/92/36/51/1020923651.db2.gz ZVLLWZHDLBXJSD-IRXDYDNUSA-N 1 3 304.478 3.775 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)OCC3CC3)CC2)C1 ZINC000414269504 1021047548 /nfs/dbraw/zinc/04/75/48/1021047548.db2.gz OPBXFGHWLNPWNI-VQIMIIECSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414349907 1021120617 /nfs/dbraw/zinc/12/06/17/1021120617.db2.gz YKEHQNKVOJKINR-NXWXRZEISA-N 1 3 310.441 3.636 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414349907 1021120618 /nfs/dbraw/zinc/12/06/18/1021120618.db2.gz YKEHQNKVOJKINR-NXWXRZEISA-N 1 3 310.441 3.636 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc(OCc2ccccc2F)c1 ZINC000647552692 1021159931 /nfs/dbraw/zinc/15/99/31/1021159931.db2.gz QZEOWJVAIYJTGJ-CABCVRRESA-N 1 3 316.420 3.620 20 0 DHADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CCC(C(F)(F)F)CC1 ZINC000423323185 1021175215 /nfs/dbraw/zinc/17/52/15/1021175215.db2.gz ACPGPZZFQYNBKD-PPWQZUPISA-N 1 3 306.416 3.723 20 0 DHADHO COc1ccccc1[C@H](N[C@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000423407356 1021197148 /nfs/dbraw/zinc/19/71/48/1021197148.db2.gz ZYUWSPDFPDQWRR-TXPKVOOTSA-N 1 3 302.462 3.786 20 0 DHADHO CC[N@H+](C)C[C@H]1CCN(CCCSCc2ccccc2)C1 ZINC000090551761 1021234064 /nfs/dbraw/zinc/23/40/64/1021234064.db2.gz GBCMBMWRBFKNSS-GOSISDBHSA-N 1 3 306.519 3.584 20 0 DHADHO CC[N@@H+](C)C[C@H]1CCN(CCCSCc2ccccc2)C1 ZINC000090551761 1021234071 /nfs/dbraw/zinc/23/40/71/1021234071.db2.gz GBCMBMWRBFKNSS-GOSISDBHSA-N 1 3 306.519 3.584 20 0 DHADHO CCN(C)C[C@H]1CC[N@H+](CCCSCc2ccccc2)C1 ZINC000090551761 1021234081 /nfs/dbraw/zinc/23/40/81/1021234081.db2.gz GBCMBMWRBFKNSS-GOSISDBHSA-N 1 3 306.519 3.584 20 0 DHADHO CCN(C)C[C@H]1CC[N@@H+](CCCSCc2ccccc2)C1 ZINC000090551761 1021234089 /nfs/dbraw/zinc/23/40/89/1021234089.db2.gz GBCMBMWRBFKNSS-GOSISDBHSA-N 1 3 306.519 3.584 20 0 DHADHO Cc1cccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000537971865 1032968672 /nfs/dbraw/zinc/96/86/72/1032968672.db2.gz KGRUCHWEDOFWMD-ZIFCJYIRSA-N 1 3 318.505 3.843 20 0 DHADHO CCCN1CC[C@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000892668585 1021249303 /nfs/dbraw/zinc/24/93/03/1021249303.db2.gz OEFQBMTYWKDKIP-VQCLRJIVSA-N 1 3 308.416 3.532 20 0 DHADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)CCCO2 ZINC000624120845 1021405928 /nfs/dbraw/zinc/40/59/28/1021405928.db2.gz ICZFTIWCZRCRHN-WMZOPIPTSA-N 1 3 302.462 3.530 20 0 DHADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)CCCO2 ZINC000624120843 1021408250 /nfs/dbraw/zinc/40/82/50/1021408250.db2.gz ICZFTIWCZRCRHN-FUHWJXTLSA-N 1 3 302.462 3.530 20 0 DHADHO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)ccc1SC ZINC000624121444 1021466312 /nfs/dbraw/zinc/46/63/12/1021466312.db2.gz WMWQJMVONAQILC-CABCVRRESA-N 1 3 322.518 3.800 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069377598 1021476536 /nfs/dbraw/zinc/47/65/36/1021476536.db2.gz XVWAOORPVISIPO-GJZGRUSLSA-N 1 3 306.416 3.819 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cc(C)ccc1OC ZINC000624122252 1021509118 /nfs/dbraw/zinc/50/91/18/1021509118.db2.gz NDUCIGVNJSUJLI-AEFFLSMTSA-N 1 3 304.478 3.776 20 0 DHADHO c1coc(CCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172062287 1032988028 /nfs/dbraw/zinc/98/80/28/1032988028.db2.gz LYHYECNKMWVDKA-ACDBMABISA-N 1 3 324.468 3.997 20 0 DHADHO c1coc(CCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172062287 1032988036 /nfs/dbraw/zinc/98/80/36/1032988036.db2.gz LYHYECNKMWVDKA-ACDBMABISA-N 1 3 324.468 3.997 20 0 DHADHO c1coc(CCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172062288 1032990465 /nfs/dbraw/zinc/99/04/65/1032990465.db2.gz LYHYECNKMWVDKA-OWZKRDHZSA-N 1 3 324.468 3.997 20 0 DHADHO c1coc(CCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172062288 1032990475 /nfs/dbraw/zinc/99/04/75/1032990475.db2.gz LYHYECNKMWVDKA-OWZKRDHZSA-N 1 3 324.468 3.997 20 0 DHADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892743181 1021589855 /nfs/dbraw/zinc/58/98/55/1021589855.db2.gz KDOTVIOTUZHERK-ZDUSSCGKSA-N 1 3 300.368 3.585 20 0 DHADHO C[NH+](C)CCCC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000093688713 1021651080 /nfs/dbraw/zinc/65/10/80/1021651080.db2.gz GRIMBCOFPOVFPK-UHFFFAOYSA-N 1 3 307.507 3.574 20 0 DHADHO CCOc1cccc([C@@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172104726 1033005252 /nfs/dbraw/zinc/00/52/52/1033005252.db2.gz COAQGZPRZZDNFR-DDBAPUKQSA-N 1 3 302.462 3.751 20 0 DHADHO CCOc1cccc([C@@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172104726 1033005265 /nfs/dbraw/zinc/00/52/65/1033005265.db2.gz COAQGZPRZZDNFR-DDBAPUKQSA-N 1 3 302.462 3.751 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3ccc(Cl)cc31)C2 ZINC001172107544 1033012692 /nfs/dbraw/zinc/01/26/92/1033012692.db2.gz ZKEWLYBQFBKEGA-DFGXFYAUSA-N 1 3 304.865 3.932 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3ccc(Cl)cc31)C2 ZINC001172107544 1033012704 /nfs/dbraw/zinc/01/27/04/1033012704.db2.gz ZKEWLYBQFBKEGA-DFGXFYAUSA-N 1 3 304.865 3.932 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000556872851 1021915771 /nfs/dbraw/zinc/91/57/71/1021915771.db2.gz RWYLFCXKGFEPBO-HZPDHXFCSA-N 1 3 324.459 3.996 20 0 DHADHO C1CC1[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000655788373 1021937291 /nfs/dbraw/zinc/93/72/91/1021937291.db2.gz IBEIZIQCGIDKOS-UXHICEINSA-N 1 3 320.521 3.721 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccncc1Cl)C1CC1)C2 ZINC001172112383 1033017599 /nfs/dbraw/zinc/01/75/99/1033017599.db2.gz WHMONMHBAYHWLS-AFIMGQEJSA-N 1 3 319.880 3.791 20 0 DHADHO CCc1cc(-n2c3cc(Cl)ccc3nc2CCC[NH3+])ccn1 ZINC001168999188 1022210736 /nfs/dbraw/zinc/21/07/36/1022210736.db2.gz HARDTVTVVIVEOC-UHFFFAOYSA-N 1 3 314.820 3.528 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)C2 ZINC001169101311 1022247603 /nfs/dbraw/zinc/24/76/03/1022247603.db2.gz RBOXVOIROXSBKY-OKYOBFRVSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)C2 ZINC001169101311 1022247613 /nfs/dbraw/zinc/24/76/13/1022247613.db2.gz RBOXVOIROXSBKY-OKYOBFRVSA-N 1 3 302.437 3.882 20 0 DHADHO CCCN1C[C@@H]2C[N@H+]([C@@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169085915 1022253069 /nfs/dbraw/zinc/25/30/69/1022253069.db2.gz PTRACXHFMDAWHY-QHAWAJNXSA-N 1 3 314.517 3.917 20 0 DHADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169085915 1022253072 /nfs/dbraw/zinc/25/30/72/1022253072.db2.gz PTRACXHFMDAWHY-QHAWAJNXSA-N 1 3 314.517 3.917 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169108019 1022267318 /nfs/dbraw/zinc/26/73/18/1022267318.db2.gz MOFLYCDFTJMTBL-PHZGNYQRSA-N 1 3 324.390 3.909 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)c1)C2 ZINC001169109411 1022267448 /nfs/dbraw/zinc/26/74/48/1022267448.db2.gz ICFLVQZTFTXWNU-BJWYYQGGSA-N 1 3 302.462 3.579 20 0 DHADHO COc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC001169108811 1022268611 /nfs/dbraw/zinc/26/86/11/1022268611.db2.gz CJROPVGGTWSCOQ-OSYLJGHBSA-N 1 3 310.441 3.563 20 0 DHADHO COc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001169108811 1022268620 /nfs/dbraw/zinc/26/86/20/1022268620.db2.gz CJROPVGGTWSCOQ-OSYLJGHBSA-N 1 3 310.441 3.563 20 0 DHADHO C[N@@H+]1C[C@@H](CNCc2ccc3[nH]ccc3c2)[C@H](c2ccccc2)C1 ZINC000655788793 1022318645 /nfs/dbraw/zinc/31/86/45/1022318645.db2.gz OSNXFHCTRVZDGR-UXHICEINSA-N 1 3 319.452 3.603 20 0 DHADHO C[N@H+]1C[C@@H](CNCc2ccc3[nH]ccc3c2)[C@H](c2ccccc2)C1 ZINC000655788793 1022318664 /nfs/dbraw/zinc/31/86/64/1022318664.db2.gz OSNXFHCTRVZDGR-UXHICEINSA-N 1 3 319.452 3.603 20 0 DHADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000854229951 1022435366 /nfs/dbraw/zinc/43/53/66/1022435366.db2.gz BHMGXOBRPVIMDZ-TVQRCGJNSA-N 1 3 304.265 3.600 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1cccnc1 ZINC000272264899 1022497438 /nfs/dbraw/zinc/49/74/38/1022497438.db2.gz XPKJODRPGWZRBU-ABSDTBQOSA-N 1 3 309.457 3.643 20 0 DHADHO C[C@@H]1CCCCN1c1cccc(NC(C)(C)CC[NH+](C)C)n1 ZINC001169715779 1022517409 /nfs/dbraw/zinc/51/74/09/1022517409.db2.gz HYDRVIYLFNCDLT-OAHLLOKOSA-N 1 3 304.482 3.603 20 0 DHADHO COCCC[NH+]1CCC(N[C@H](c2cccc(F)c2)C(C)C)CC1 ZINC001172246706 1033067244 /nfs/dbraw/zinc/06/72/44/1033067244.db2.gz QJUMLXVXKCPVRR-IBGZPJMESA-N 1 3 322.468 3.613 20 0 DHADHO CCCCN1CCC([NH2+][C@@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000584684064 1022615246 /nfs/dbraw/zinc/61/52/46/1022615246.db2.gz QUAAMIYYZLWHAP-QGZVFWFLSA-N 1 3 320.452 3.676 20 0 DHADHO COc1ccccc1-c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414911119 1022910807 /nfs/dbraw/zinc/91/08/07/1022910807.db2.gz DLKZFBSOZWPARW-ROUUACIJSA-N 1 3 310.441 3.722 20 0 DHADHO CCCC[N@H+](C)CCN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000163510803 1022917680 /nfs/dbraw/zinc/91/76/80/1022917680.db2.gz AZEFJRAWBPMCEX-MRXNPFEDSA-N 1 3 314.477 3.563 20 0 DHADHO CCCC[N@@H+](C)CCN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000163510803 1022917685 /nfs/dbraw/zinc/91/76/85/1022917685.db2.gz AZEFJRAWBPMCEX-MRXNPFEDSA-N 1 3 314.477 3.563 20 0 DHADHO CC1(C)C[C@@H](NC[C@@H](c2ccccc2)C(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925643496 1022929357 /nfs/dbraw/zinc/92/93/57/1022929357.db2.gz JLAPOHMPMLHYFT-ILXRZTDVSA-N 1 3 314.395 3.828 20 0 DHADHO CC(C)Cc1ccc(CNCc2cccc(C[NH+](C)C)c2)cn1 ZINC000893334088 1022947863 /nfs/dbraw/zinc/94/78/63/1022947863.db2.gz XNTFXMYURPMVTO-UHFFFAOYSA-N 1 3 311.473 3.632 20 0 DHADHO CC[C@H](C)OCC[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001172326164 1033089652 /nfs/dbraw/zinc/08/96/52/1033089652.db2.gz CDNPJXVQAKSURX-SJORKVTESA-N 1 3 310.526 3.824 20 0 DHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000165315796 1022978220 /nfs/dbraw/zinc/97/82/20/1022978220.db2.gz QRKBBQMJJLUEDA-BRWVUGGUSA-N 1 3 304.478 3.509 20 0 DHADHO COc1ccc2ccccc2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000295062688 1022990261 /nfs/dbraw/zinc/99/02/61/1022990261.db2.gz QLNWUIGHAZNDNX-ALOPSCKCSA-N 1 3 310.441 3.563 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC[C@@H]21 ZINC000249976253 1023067332 /nfs/dbraw/zinc/06/73/32/1023067332.db2.gz YEBUHHQDCSPDPX-PBASOCQRSA-N 1 3 312.501 3.913 20 0 DHADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC[C@@H]21 ZINC000249976253 1023067346 /nfs/dbraw/zinc/06/73/46/1023067346.db2.gz YEBUHHQDCSPDPX-PBASOCQRSA-N 1 3 312.501 3.913 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000769876530 1023239997 /nfs/dbraw/zinc/23/99/97/1023239997.db2.gz SVEVHYZAJHCCJR-JYJNAYRXSA-N 1 3 321.509 3.954 20 0 DHADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C[C@@H]1C ZINC001172371893 1033150904 /nfs/dbraw/zinc/15/09/04/1033150904.db2.gz VQSOMLUNUHSVRX-UWVAXJGDSA-N 1 3 315.505 3.708 20 0 DHADHO C[C@@H]1CC[C@@H]([NH+]2CCC(N)(Cc3cccc(F)c3)CC2)C[C@H]1C ZINC001172371625 1033151754 /nfs/dbraw/zinc/15/17/54/1033151754.db2.gz VNVAUNLCICZAAG-GPMSIDNRSA-N 1 3 318.480 3.986 20 0 DHADHO C[C@H](CCN1CCC[C@@H](CCF)C1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661690255 1023687966 /nfs/dbraw/zinc/68/79/66/1023687966.db2.gz KTKWRGRNJNWMNB-SQNIBIBYSA-N 1 3 316.480 3.908 20 0 DHADHO C[C@H](CCN1CCC[C@@H](CCF)C1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000661690255 1023687967 /nfs/dbraw/zinc/68/79/67/1023687967.db2.gz KTKWRGRNJNWMNB-SQNIBIBYSA-N 1 3 316.480 3.908 20 0 DHADHO C[C@H](CC[N@@H+]1CCC[C@@H](CCF)C1)N1CCC[C@@H](CCF)C1 ZINC000661690255 1023687971 /nfs/dbraw/zinc/68/79/71/1023687971.db2.gz KTKWRGRNJNWMNB-SQNIBIBYSA-N 1 3 316.480 3.908 20 0 DHADHO C[C@H](CC[N@H+]1CCC[C@@H](CCF)C1)N1CCC[C@@H](CCF)C1 ZINC000661690255 1023687974 /nfs/dbraw/zinc/68/79/74/1023687974.db2.gz KTKWRGRNJNWMNB-SQNIBIBYSA-N 1 3 316.480 3.908 20 0 DHADHO CC(C)c1ccc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)n1 ZINC001206035159 1023846683 /nfs/dbraw/zinc/84/66/83/1023846683.db2.gz BWPLNCLZHMBJHH-KBPBESRZSA-N 1 3 309.885 3.665 20 0 DHADHO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000876896699 1033179599 /nfs/dbraw/zinc/17/95/99/1033179599.db2.gz LBABJRKZKRGXSM-ZOCZFRKYSA-N 1 3 318.442 3.564 20 0 DHADHO CCC[N@H+](CCSc1ccc(F)cc1F)C1CCNCC1 ZINC000662262984 1024037491 /nfs/dbraw/zinc/03/74/91/1024037491.db2.gz JPBNXFPDBIGHJJ-UHFFFAOYSA-N 1 3 314.445 3.521 20 0 DHADHO CCC[N@@H+](CCSc1ccc(F)cc1F)C1CCNCC1 ZINC000662262984 1024037509 /nfs/dbraw/zinc/03/75/09/1024037509.db2.gz JPBNXFPDBIGHJJ-UHFFFAOYSA-N 1 3 314.445 3.521 20 0 DHADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCCN(C)C ZINC000268710165 1024145330 /nfs/dbraw/zinc/14/53/30/1024145330.db2.gz JUHUAGQMJWFBCX-AWEZNQCLSA-N 1 3 317.502 3.645 20 0 DHADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)COC2 ZINC000268744452 1024150953 /nfs/dbraw/zinc/15/09/53/1024150953.db2.gz GYENJMFETFVRLI-HNNXBMFYSA-N 1 3 310.441 3.629 20 0 DHADHO COCCC1(C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CCCCC1 ZINC000663344500 1024176195 /nfs/dbraw/zinc/17/61/95/1024176195.db2.gz UNIVBUVKTISHCO-IBGZPJMESA-N 1 3 322.537 3.685 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000531714617 1024278803 /nfs/dbraw/zinc/27/88/03/1024278803.db2.gz BQEDPQUAOIQMLM-IAGOWNOFSA-N 1 3 309.457 3.741 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000531714617 1024278817 /nfs/dbraw/zinc/27/88/17/1024278817.db2.gz BQEDPQUAOIQMLM-IAGOWNOFSA-N 1 3 309.457 3.741 20 0 DHADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000453088614 1024322198 /nfs/dbraw/zinc/32/21/98/1024322198.db2.gz RJSWJCKVSNIPDM-HLLBOEOZSA-N 1 3 310.507 3.678 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccsc1 ZINC000453173079 1024383616 /nfs/dbraw/zinc/38/36/16/1024383616.db2.gz YNBAGMCLFNIPSW-KSZLIROESA-N 1 3 322.518 3.557 20 0 DHADHO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663464192 1024399736 /nfs/dbraw/zinc/39/97/36/1024399736.db2.gz DHTBWYIJRVCVHT-ZFWWWQNUSA-N 1 3 306.416 3.819 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000663466229 1024401675 /nfs/dbraw/zinc/40/16/75/1024401675.db2.gz PSASQULZODCZOI-GOEBONIOSA-N 1 3 314.464 3.912 20 0 DHADHO Cc1ccccc1C1CC([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000663466653 1024407944 /nfs/dbraw/zinc/40/79/44/1024407944.db2.gz XAIXSUPNIXYASI-XEVCZEQESA-N 1 3 312.501 3.953 20 0 DHADHO C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466964 1024408165 /nfs/dbraw/zinc/40/81/65/1024408165.db2.gz CESVIKNITISCLE-XLIONFOSSA-N 1 3 300.490 3.719 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCC4(COC4)CC3)CC2)C1 ZINC000883379284 1024411752 /nfs/dbraw/zinc/41/17/52/1024411752.db2.gz VOHUANTVTAMQMO-APWZRJJASA-N 1 3 320.521 3.578 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccccc1C(F)(F)F ZINC000925778128 1024432770 /nfs/dbraw/zinc/43/27/70/1024432770.db2.gz IDVSHAXXMZFYMH-QWRGUYRKSA-N 1 3 322.321 3.601 20 0 DHADHO CCC[N@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C1CCNCC1 ZINC000883423978 1024434400 /nfs/dbraw/zinc/43/44/00/1024434400.db2.gz AQYKSHJIFPDKJE-PMACEKPBSA-N 1 3 316.489 3.761 20 0 DHADHO CCC[N@@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C1CCNCC1 ZINC000883423978 1024434407 /nfs/dbraw/zinc/43/44/07/1024434407.db2.gz AQYKSHJIFPDKJE-PMACEKPBSA-N 1 3 316.489 3.761 20 0 DHADHO CCCN(C[C@@H]1CCC[C@@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883423978 1024434412 /nfs/dbraw/zinc/43/44/12/1024434412.db2.gz AQYKSHJIFPDKJE-PMACEKPBSA-N 1 3 316.489 3.761 20 0 DHADHO c1ccc([C@@H]2CCC[C@H](C[N@@H+]3CCNCCC34CCC4)O2)cc1 ZINC000883460232 1024438921 /nfs/dbraw/zinc/43/89/21/1024438921.db2.gz SCDJDHITLLDYHD-MOPGFXCFSA-N 1 3 314.473 3.515 20 0 DHADHO c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCNCCC34CCC4)O2)cc1 ZINC000883460232 1024438924 /nfs/dbraw/zinc/43/89/24/1024438924.db2.gz SCDJDHITLLDYHD-MOPGFXCFSA-N 1 3 314.473 3.515 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc2ccccc2c1 ZINC000925781271 1024462416 /nfs/dbraw/zinc/46/24/16/1024462416.db2.gz XQINGXWAUDLSSL-SUMWQHHRSA-N 1 3 304.384 3.735 20 0 DHADHO CC(C)COCC[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001172462367 1033215119 /nfs/dbraw/zinc/21/51/19/1033215119.db2.gz FMTHZJOZVIVLMF-KRWDZBQOSA-N 1 3 310.526 3.682 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)s1 ZINC000925784338 1024508626 /nfs/dbraw/zinc/50/86/26/1024508626.db2.gz QXLJZYICOGPKPU-VHSXEESVSA-N 1 3 308.825 3.687 20 0 DHADHO C[N@H+](CCCCNCc1csc(-c2ccccc2)n1)C1CC1 ZINC000453607951 1024550363 /nfs/dbraw/zinc/55/03/63/1024550363.db2.gz XYFPXOHGQMIFFB-UHFFFAOYSA-N 1 3 315.486 3.774 20 0 DHADHO C[N@@H+](CCCCNCc1csc(-c2ccccc2)n1)C1CC1 ZINC000453607951 1024550372 /nfs/dbraw/zinc/55/03/72/1024550372.db2.gz XYFPXOHGQMIFFB-UHFFFAOYSA-N 1 3 315.486 3.774 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666084869 1024677257 /nfs/dbraw/zinc/67/72/57/1024677257.db2.gz OLTOTSNHBZEPMM-GDBMZVCRSA-N 1 3 306.881 3.519 20 0 DHADHO CC[C@H]1C[C@H]([N@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001170247731 1024723170 /nfs/dbraw/zinc/72/31/70/1024723170.db2.gz YACBFVAUWAOGLD-MOPGFXCFSA-N 1 3 308.510 3.673 20 0 DHADHO CC[C@H]1C[C@H]([N@@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001170247731 1024723174 /nfs/dbraw/zinc/72/31/74/1024723174.db2.gz YACBFVAUWAOGLD-MOPGFXCFSA-N 1 3 308.510 3.673 20 0 DHADHO Cc1ccc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350511438 1024822164 /nfs/dbraw/zinc/82/21/64/1024822164.db2.gz KNASLUVWJGJERO-RTWAWAEBSA-N 1 3 323.484 3.562 20 0 DHADHO c1ccc2c(c1)CC[C@@H](C[NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC000666341806 1024983873 /nfs/dbraw/zinc/98/38/73/1024983873.db2.gz QZJXEORIZBJUGT-QGZVFWFLSA-N 1 3 312.501 3.788 20 0 DHADHO CSCc1cc(F)ccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353546848 1025118024 /nfs/dbraw/zinc/11/80/24/1025118024.db2.gz WWUQLHSTLVHVRC-RCCFBDPRSA-N 1 3 322.493 3.651 20 0 DHADHO CSCc1cc(F)ccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353546848 1025118028 /nfs/dbraw/zinc/11/80/28/1025118028.db2.gz WWUQLHSTLVHVRC-RCCFBDPRSA-N 1 3 322.493 3.651 20 0 DHADHO CSCc1cc(F)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000353546848 1025118108 /nfs/dbraw/zinc/11/81/08/1025118108.db2.gz WWUQLHSTLVHVRC-RCCFBDPRSA-N 1 3 322.493 3.651 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3ccc(F)cc32)[C@@H]2CCC[C@H]21 ZINC000353585432 1025139178 /nfs/dbraw/zinc/13/91/78/1025139178.db2.gz SMZZPMUQNJJISF-WZGPROSRSA-N 1 3 302.437 3.666 20 0 DHADHO C[N@H+]1CC[C@H](N[C@@H]2CCCc3ccc(F)cc32)[C@@H]2CCC[C@H]21 ZINC000353585432 1025139188 /nfs/dbraw/zinc/13/91/88/1025139188.db2.gz SMZZPMUQNJJISF-WZGPROSRSA-N 1 3 302.437 3.666 20 0 DHADHO C[C@@H](NC1CCC([N@H+](C)Cc2ccccc2)CC1)c1ccon1 ZINC000353673114 1025190683 /nfs/dbraw/zinc/19/06/83/1025190683.db2.gz REPJKUNZRAUAGR-FAEJEUNOSA-N 1 3 313.445 3.768 20 0 DHADHO C[C@@H](NC1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccon1 ZINC000353673114 1025190696 /nfs/dbraw/zinc/19/06/96/1025190696.db2.gz REPJKUNZRAUAGR-FAEJEUNOSA-N 1 3 313.445 3.768 20 0 DHADHO C[C@H](NC1CCC([N@H+](C)Cc2ccccc2)CC1)c1ccon1 ZINC000353673115 1025191635 /nfs/dbraw/zinc/19/16/35/1025191635.db2.gz REPJKUNZRAUAGR-ZLPCBKJTSA-N 1 3 313.445 3.768 20 0 DHADHO C[C@H](NC1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccon1 ZINC000353673115 1025191637 /nfs/dbraw/zinc/19/16/37/1025191637.db2.gz REPJKUNZRAUAGR-ZLPCBKJTSA-N 1 3 313.445 3.768 20 0 DHADHO COc1ccc2cc([C@H](C)[NH2+]CCCN3CCCC3)ccc2c1 ZINC000320247477 1025213950 /nfs/dbraw/zinc/21/39/50/1025213950.db2.gz ZOFHUKLZXIQNOF-INIZCTEOSA-N 1 3 312.457 3.985 20 0 DHADHO COc1ccc2cc([C@@H](C)[NH2+]CCCN3CCCC3)ccc2c1 ZINC000320247478 1025215195 /nfs/dbraw/zinc/21/51/95/1025215195.db2.gz ZOFHUKLZXIQNOF-MRXNPFEDSA-N 1 3 312.457 3.985 20 0 DHADHO CCC[N@@H+]1CCC[C@@H]1CN[C@H]1CCCc2cc(OC)ccc21 ZINC000353970086 1025306654 /nfs/dbraw/zinc/30/66/54/1025306654.db2.gz BPPAUBBWKCZWDV-APWZRJJASA-N 1 3 302.462 3.537 20 0 DHADHO CCC[N@H+]1CCC[C@@H]1CN[C@H]1CCCc2cc(OC)ccc21 ZINC000353970086 1025306666 /nfs/dbraw/zinc/30/66/66/1025306666.db2.gz BPPAUBBWKCZWDV-APWZRJJASA-N 1 3 302.462 3.537 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000124143489 1025322788 /nfs/dbraw/zinc/32/27/88/1025322788.db2.gz MHRMYQZDIIUXGL-QWHCGFSZSA-N 1 3 316.367 3.578 20 0 DHADHO C1CC2(C1)C[C@H]([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)CCS2 ZINC000925857668 1025331953 /nfs/dbraw/zinc/33/19/53/1025331953.db2.gz HUYDCGVHKXBTKW-IXDOHACOSA-N 1 3 308.535 3.563 20 0 DHADHO Cc1ccc(CCCNCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000354156591 1025371160 /nfs/dbraw/zinc/37/11/60/1025371160.db2.gz AFDHPDGXTPIIGL-IAGOWNOFSA-N 1 3 317.521 3.669 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC000123677512 1025394464 /nfs/dbraw/zinc/39/44/64/1025394464.db2.gz DYMQWEUBZUNQGW-LJQANCHMSA-N 1 3 310.441 3.752 20 0 DHADHO CO[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000885953928 1025417995 /nfs/dbraw/zinc/41/79/95/1025417995.db2.gz JRHBGKSXDCWWOB-MJGOQNOKSA-N 1 3 308.510 3.578 20 0 DHADHO Cc1ccc(C)c(OC2CC[NH+](CC[C@@H]3CCCN3C)CC2)c1 ZINC000125001290 1025454242 /nfs/dbraw/zinc/45/42/42/1025454242.db2.gz GORJWHSYCVTLIR-SFHVURJKSA-N 1 3 316.489 3.631 20 0 DHADHO CC(C)(C[NH2+][C@@H]1CCOC2(CCCCC2)C1)CN1CCCC1 ZINC000886089389 1025467317 /nfs/dbraw/zinc/46/73/17/1025467317.db2.gz AKWVBUJXQKVBGU-QGZVFWFLSA-N 1 3 308.510 3.580 20 0 DHADHO CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CCC2 ZINC000125856896 1025494118 /nfs/dbraw/zinc/49/41/18/1025494118.db2.gz OGUKPAWWAZXWEF-GJZGRUSLSA-N 1 3 321.534 3.793 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(OC)cc1 ZINC000125827353 1025494465 /nfs/dbraw/zinc/49/44/65/1025494465.db2.gz VTPCHBFBEFTRGS-QFBILLFUSA-N 1 3 304.478 3.856 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(OC)cc1 ZINC000125827189 1025495114 /nfs/dbraw/zinc/49/51/14/1025495114.db2.gz VTPCHBFBEFTRGS-LPHOPBHVSA-N 1 3 304.478 3.856 20 0 DHADHO Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CCC2 ZINC000125922117 1025497659 /nfs/dbraw/zinc/49/76/59/1025497659.db2.gz NVCBHOGCSAUNLR-HUUCEWRRSA-N 1 3 307.507 3.539 20 0 DHADHO Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CCC2 ZINC000125921943 1025499253 /nfs/dbraw/zinc/49/92/53/1025499253.db2.gz NVCBHOGCSAUNLR-GJZGRUSLSA-N 1 3 307.507 3.539 20 0 DHADHO CC[NH+]1CCC(N(C)Cc2cc3c(cccc3O)s2)CC1 ZINC000893918169 1025599572 /nfs/dbraw/zinc/59/95/72/1025599572.db2.gz HXHGGRBZFZMKCX-UHFFFAOYSA-N 1 3 304.459 3.523 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506548 1025660671 /nfs/dbraw/zinc/66/06/71/1025660671.db2.gz YMGUDQHLKHXBCJ-ACJLOTCBSA-N 1 3 315.436 3.616 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506548 1025660680 /nfs/dbraw/zinc/66/06/80/1025660680.db2.gz YMGUDQHLKHXBCJ-ACJLOTCBSA-N 1 3 315.436 3.616 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886506548 1025660688 /nfs/dbraw/zinc/66/06/88/1025660688.db2.gz YMGUDQHLKHXBCJ-ACJLOTCBSA-N 1 3 315.436 3.616 20 0 DHADHO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1cccc(Br)c1 ZINC000049554191 1025713556 /nfs/dbraw/zinc/71/35/56/1025713556.db2.gz WBLKIUHYGOSWPT-IUODEOHRSA-N 1 3 313.283 3.830 20 0 DHADHO CC1CC[NH+](C[C@H]2CCCN(CC3(O)CCCCCC3)C2)CC1 ZINC001307440483 1025801639 /nfs/dbraw/zinc/80/16/39/1025801639.db2.gz NREDCGAGHFUPMS-LJQANCHMSA-N 1 3 322.537 3.516 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CCCN(CC)C1)c1cc(C)ccc1OC ZINC000093403331 1025895395 /nfs/dbraw/zinc/89/53/95/1025895395.db2.gz KXLUTFNJNDHGLY-AEFFLSMTSA-N 1 3 304.478 3.776 20 0 DHADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917018 1025920908 /nfs/dbraw/zinc/92/09/08/1025920908.db2.gz JMBCJCVISJVEEP-PIIMJCKOSA-N 1 3 318.892 3.940 20 0 DHADHO Clc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000533075687 1026210125 /nfs/dbraw/zinc/21/01/25/1026210125.db2.gz BJESXWZYJPGIDH-QAPCUYQASA-N 1 3 304.865 3.789 20 0 DHADHO Clc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000533075687 1026210142 /nfs/dbraw/zinc/21/01/42/1026210142.db2.gz BJESXWZYJPGIDH-QAPCUYQASA-N 1 3 304.865 3.789 20 0 DHADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000571431460 1026280992 /nfs/dbraw/zinc/28/09/92/1026280992.db2.gz HJQVIVLJRWZRLZ-HZPDHXFCSA-N 1 3 321.534 3.840 20 0 DHADHO CC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000513334821 1026481187 /nfs/dbraw/zinc/48/11/87/1026481187.db2.gz KVNYSQFTRRVTKX-LJQANCHMSA-N 1 3 308.510 3.578 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000513656947 1026552750 /nfs/dbraw/zinc/55/27/50/1026552750.db2.gz ZLRAVIXZNLMYGE-HRCADAONSA-N 1 3 312.379 3.668 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000513656947 1026552755 /nfs/dbraw/zinc/55/27/55/1026552755.db2.gz ZLRAVIXZNLMYGE-HRCADAONSA-N 1 3 312.379 3.668 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000513656947 1026552760 /nfs/dbraw/zinc/55/27/60/1026552760.db2.gz ZLRAVIXZNLMYGE-HRCADAONSA-N 1 3 312.379 3.668 20 0 DHADHO CC(C)c1ccc(OCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1 ZINC000513691154 1026618417 /nfs/dbraw/zinc/61/84/17/1026618417.db2.gz RQYNMDBWTPDMHG-XUVXKRRUSA-N 1 3 316.489 3.651 20 0 DHADHO CC(C)CN1CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280395158 1026644812 /nfs/dbraw/zinc/64/48/12/1026644812.db2.gz XEAHNNQYRKRDBC-IBGZPJMESA-N 1 3 301.478 3.633 20 0 DHADHO CSc1cc(C)ccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000513698277 1026670860 /nfs/dbraw/zinc/67/08/60/1026670860.db2.gz YOWGZZJHJKKNJH-ZACQAIPSSA-N 1 3 304.503 3.679 20 0 DHADHO CSc1cc(C)ccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000513698277 1026670864 /nfs/dbraw/zinc/67/08/64/1026670864.db2.gz YOWGZZJHJKKNJH-ZACQAIPSSA-N 1 3 304.503 3.679 20 0 DHADHO CSc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000513698277 1026670867 /nfs/dbraw/zinc/67/08/67/1026670867.db2.gz YOWGZZJHJKKNJH-ZACQAIPSSA-N 1 3 304.503 3.679 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)OC)ccc1OC ZINC000810257215 1026731658 /nfs/dbraw/zinc/73/16/58/1026731658.db2.gz NHJAWQJXLKSFFJ-PMPSAXMXSA-N 1 3 322.493 3.611 20 0 DHADHO CC[C@@H](c1ccc(F)cc1F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420340526 1026804837 /nfs/dbraw/zinc/80/48/37/1026804837.db2.gz SHDMPXRUEPFQEL-ROUUACIJSA-N 1 3 308.416 3.880 20 0 DHADHO CC1(C)CNCC[C@@H]1[NH2+]CCCOc1cccc2ccccc21 ZINC000420371501 1026809696 /nfs/dbraw/zinc/80/96/96/1026809696.db2.gz WVRGXDAQARNFSC-IBGZPJMESA-N 1 3 312.457 3.586 20 0 DHADHO C[C@H](c1ccc(Cl)cc1)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420386939 1026811485 /nfs/dbraw/zinc/81/14/85/1026811485.db2.gz VJKKOVIFYXQFQX-BVGQSLNGSA-N 1 3 322.880 3.619 20 0 DHADHO C[C@H](c1ccccc1Cl)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420382069 1026813028 /nfs/dbraw/zinc/81/30/28/1026813028.db2.gz DILDKIQFNXDEED-XUWXXGDYSA-N 1 3 322.880 3.619 20 0 DHADHO CN(Cc1c(Cl)oc2ccccc21)CC1CC[NH+](C)CC1 ZINC000513750182 1027005790 /nfs/dbraw/zinc/00/57/90/1027005790.db2.gz CHMKQFLDMYPTLX-UHFFFAOYSA-N 1 3 306.837 3.860 20 0 DHADHO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C)n1 ZINC000421848195 1027074088 /nfs/dbraw/zinc/07/40/88/1027074088.db2.gz ABKYTURWFCSJGS-IERDGZPVSA-N 1 3 323.484 3.699 20 0 DHADHO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(C)n1 ZINC000421848195 1027074095 /nfs/dbraw/zinc/07/40/95/1027074095.db2.gz ABKYTURWFCSJGS-IERDGZPVSA-N 1 3 323.484 3.699 20 0 DHADHO CCSCCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000571288870 1027115062 /nfs/dbraw/zinc/11/50/62/1027115062.db2.gz JECHLAKJETZMIS-OAHLLOKOSA-N 1 3 312.548 3.563 20 0 DHADHO CCSCCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000571288870 1027115067 /nfs/dbraw/zinc/11/50/67/1027115067.db2.gz JECHLAKJETZMIS-OAHLLOKOSA-N 1 3 312.548 3.563 20 0 DHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000561956508 1027141439 /nfs/dbraw/zinc/14/14/39/1027141439.db2.gz HRGURFJVPFUQJU-OALUTQOASA-N 1 3 323.569 3.549 20 0 DHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000561956508 1027141444 /nfs/dbraw/zinc/14/14/44/1027141444.db2.gz HRGURFJVPFUQJU-OALUTQOASA-N 1 3 323.569 3.549 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170657898 1027156419 /nfs/dbraw/zinc/15/64/19/1027156419.db2.gz HMUNVXCCFWKVMV-KRWDZBQOSA-N 1 3 322.443 3.534 20 0 DHADHO CCC(CC)[N@@H+]1CC[C@H](N[C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170676681 1027269711 /nfs/dbraw/zinc/26/97/11/1027269711.db2.gz GLKKRQPHJFKLEZ-HOTGVXAUSA-N 1 3 322.443 3.675 20 0 DHADHO CCC(CC)[N@H+]1CC[C@H](N[C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170676681 1027269729 /nfs/dbraw/zinc/26/97/29/1027269729.db2.gz GLKKRQPHJFKLEZ-HOTGVXAUSA-N 1 3 322.443 3.675 20 0 DHADHO CC[NH+]1CCC(CN[C@H](c2cccc(C)c2)c2ccccn2)CC1 ZINC000924953527 1027278339 /nfs/dbraw/zinc/27/83/39/1027278339.db2.gz CSYXIAPPUQWSIH-OAQYLSRUSA-N 1 3 323.484 3.801 20 0 DHADHO CCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000573512145 1027301595 /nfs/dbraw/zinc/30/15/95/1027301595.db2.gz SGZVZUMJQVAESL-VAMGGRTRSA-N 1 3 316.489 3.746 20 0 DHADHO CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000573512145 1027301612 /nfs/dbraw/zinc/30/16/12/1027301612.db2.gz SGZVZUMJQVAESL-VAMGGRTRSA-N 1 3 316.489 3.746 20 0 DHADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422739951 1027310627 /nfs/dbraw/zinc/31/06/27/1027310627.db2.gz AWEZKFFLFTYVMU-CVAIRZPRSA-N 1 3 308.425 3.593 20 0 DHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCSc1ccccc1 ZINC000422768222 1027313440 /nfs/dbraw/zinc/31/34/40/1027313440.db2.gz ZHVQXKDSJKKSIC-APWZRJJASA-N 1 3 314.498 3.717 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCSc1ccccc1 ZINC000422766333 1027313845 /nfs/dbraw/zinc/31/38/45/1027313845.db2.gz WYQWYOQBXKEQCH-AWEZNQCLSA-N 1 3 315.486 3.682 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)N[C@@H]3CCC[C@H]3C[NH3+])cc2)cs1 ZINC000422800533 1027325681 /nfs/dbraw/zinc/32/56/81/1027325681.db2.gz CCPDXXKIVGSQEP-AFAVFJNCSA-N 1 3 315.486 3.897 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1F ZINC000422798700 1027327961 /nfs/dbraw/zinc/32/79/61/1027327961.db2.gz SLEJNHBPYUONJQ-RYUDHWBXSA-N 1 3 319.399 3.581 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H]3CNCC[C@H]3C)cc2)cs1 ZINC000422807756 1027329804 /nfs/dbraw/zinc/32/98/04/1027329804.db2.gz PJNRZISGMQVZEI-IIYDPXPESA-N 1 3 315.486 3.767 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCSc2ccccc21 ZINC000422853106 1027338972 /nfs/dbraw/zinc/33/89/72/1027338972.db2.gz BKFGNNLWYLUKFG-CXAGYDPISA-N 1 3 313.470 3.736 20 0 DHADHO CC[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)Oc1cccc(F)c1 ZINC000422844864 1027345259 /nfs/dbraw/zinc/34/52/59/1027345259.db2.gz ALUFACGYUYXRTO-MDASCCDHSA-N 1 3 314.404 3.718 20 0 DHADHO Fc1cccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCCC2)c1 ZINC000422899666 1027354013 /nfs/dbraw/zinc/35/40/13/1027354013.db2.gz IAXJHJNLHNJEHL-DFNIBXOVSA-N 1 3 316.464 3.900 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422927776 1027365256 /nfs/dbraw/zinc/36/52/56/1027365256.db2.gz HBYXTJJGVQSHFZ-INIZCTEOSA-N 1 3 323.484 3.912 20 0 DHADHO COc1ccccc1SC[C@H](C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422943141 1027368054 /nfs/dbraw/zinc/36/80/54/1027368054.db2.gz KFDSVMQXAUDSBZ-BZUAXINKSA-N 1 3 322.518 3.544 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422995222 1027384094 /nfs/dbraw/zinc/38/40/94/1027384094.db2.gz JQALWAOMIGFFLW-HNNXBMFYSA-N 1 3 309.457 3.522 20 0 DHADHO CC(C)[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)Nc1ccccc1 ZINC000422981578 1027386922 /nfs/dbraw/zinc/38/69/22/1027386922.db2.gz SYYBBNXDOMNECA-ZCNNSNEGSA-N 1 3 309.457 3.858 20 0 DHADHO [NH3+][C@H]1CCC[C@H]1NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000423006590 1027390234 /nfs/dbraw/zinc/39/02/34/1027390234.db2.gz VZAITAHFTWIFRE-RBUKOAKNSA-N 1 3 314.404 3.630 20 0 DHADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000423019964 1027394527 /nfs/dbraw/zinc/39/45/27/1027394527.db2.gz YBLYGFFNFBYSIX-LSDHHAIUSA-N 1 3 313.272 3.885 20 0 DHADHO CC(C)(C)c1nc(CC[NH2+][C@H]2C[C@H](N)c3ccccc32)cs1 ZINC000423021135 1027395307 /nfs/dbraw/zinc/39/53/07/1027395307.db2.gz DMNWULJEJDHPBY-HOTGVXAUSA-N 1 3 315.486 3.718 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCCc2sccc21 ZINC000423045349 1027400322 /nfs/dbraw/zinc/40/03/22/1027400322.db2.gz CSVUNZJUJFHERM-LRDDRELGSA-N 1 3 301.459 3.638 20 0 DHADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCO[C@H](c3ccccc3)C2)c2ccccc21 ZINC000423044045 1027400856 /nfs/dbraw/zinc/40/08/56/1027400856.db2.gz APFZYAVNNZGADR-LDTOTXGLSA-N 1 3 308.425 3.641 20 0 DHADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000423063929 1027403548 /nfs/dbraw/zinc/40/35/48/1027403548.db2.gz QAKWNNCZOHXSOF-RRFJBIMHSA-N 1 3 300.368 3.582 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423057929 1027404429 /nfs/dbraw/zinc/40/44/29/1027404429.db2.gz INRLYRSEHLENLT-MNOVXSKESA-N 1 3 318.358 3.592 20 0 DHADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095118 1027414388 /nfs/dbraw/zinc/41/43/88/1027414388.db2.gz DHQPTUTVDUIUQJ-WNZJFKNXSA-N 1 3 310.844 3.832 20 0 DHADHO N[C@@H]1CCCCC[C@H]1[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000423150626 1027430988 /nfs/dbraw/zinc/43/09/88/1027430988.db2.gz BMUSHRMEJLFITA-KSLSASGISA-N 1 3 323.278 3.712 20 0 DHADHO Cc1ccc(Oc2ccccc2CCN[C@H](C)C2C[NH2+]C2)cc1 ZINC000423168984 1027438424 /nfs/dbraw/zinc/43/84/24/1027438424.db2.gz IIODPFOPEAVINL-MRXNPFEDSA-N 1 3 310.441 3.527 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000575101403 1027455015 /nfs/dbraw/zinc/45/50/15/1027455015.db2.gz JXTJFAMSCFFHDO-AWEZNQCLSA-N 1 3 312.860 3.732 20 0 DHADHO COc1cccc(C[C@H](NC[C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423217135 1027458116 /nfs/dbraw/zinc/45/81/16/1027458116.db2.gz SZANBRQKYKGOOY-RXVVDRJESA-N 1 3 324.468 3.568 20 0 DHADHO COc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000423292686 1027486403 /nfs/dbraw/zinc/48/64/03/1027486403.db2.gz NYQVMMPZQMGULL-KGLIPLIRSA-N 1 3 314.429 3.574 20 0 DHADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423275711 1027491859 /nfs/dbraw/zinc/49/18/59/1027491859.db2.gz NMNAVRNMSZPXSH-RISCZKNCSA-N 1 3 320.424 3.975 20 0 DHADHO C[C@H]1CCc2c(F)cccc2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295956311 1027500100 /nfs/dbraw/zinc/50/01/00/1027500100.db2.gz MQSYMPXZYZMROT-DKDZKRTASA-N 1 3 302.437 3.664 20 0 DHADHO C[C@H]1CCc2c(F)cccc2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295956311 1027500120 /nfs/dbraw/zinc/50/01/20/1027500120.db2.gz MQSYMPXZYZMROT-DKDZKRTASA-N 1 3 302.437 3.664 20 0 DHADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(SCC(F)F)cc1 ZINC000423319932 1027500913 /nfs/dbraw/zinc/50/09/13/1027500913.db2.gz FSJWGXDBGVVHLC-NSHDSACASA-N 1 3 300.418 3.576 20 0 DHADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423297822 1027503942 /nfs/dbraw/zinc/50/39/42/1027503942.db2.gz LZXMSDWGGDGBGP-LSDHHAIUSA-N 1 3 316.420 3.650 20 0 DHADHO Cc1c([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cnn1C(C)C ZINC000423296169 1027504288 /nfs/dbraw/zinc/50/42/88/1027504288.db2.gz YMPJCFBKNWNWAU-UONOGXRCSA-N 1 3 300.450 3.643 20 0 DHADHO CCCC[C@@H](CN)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423300457 1027504649 /nfs/dbraw/zinc/50/46/49/1027504649.db2.gz RQZNSPRTRRYLOP-GXSJLCMTSA-N 1 3 317.296 3.605 20 0 DHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC1(N)CCC1 ZINC000423325705 1027511410 /nfs/dbraw/zinc/51/14/10/1027511410.db2.gz LIFBGZPITQXZMP-NSHDSACASA-N 1 3 319.449 3.790 20 0 DHADHO CC[C@H]([NH2+]CC1(N)CCC1)c1ccc(OC(F)(F)F)cc1 ZINC000423341849 1027518270 /nfs/dbraw/zinc/51/82/70/1027518270.db2.gz YDLKTXKGOMCYKM-ZDUSSCGKSA-N 1 3 302.340 3.507 20 0 DHADHO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000296052579 1027529225 /nfs/dbraw/zinc/52/92/25/1027529225.db2.gz VFJLPVFJGLAACR-FFHGMXDLSA-N 1 3 324.415 3.872 20 0 DHADHO CC[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1ccc2cc(OC)ccc2c1 ZINC000423391343 1027531507 /nfs/dbraw/zinc/53/15/07/1027531507.db2.gz KWUILEVVYZOHNS-UAOJZALGSA-N 1 3 312.457 3.887 20 0 DHADHO C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000423400358 1027534049 /nfs/dbraw/zinc/53/40/49/1027534049.db2.gz QGNYGMMPQPVOLX-ZFZLTOMUSA-N 1 3 316.489 3.550 20 0 DHADHO CC[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cc(C)ccc1OC ZINC000423403705 1027538991 /nfs/dbraw/zinc/53/89/91/1027538991.db2.gz XCZDHRAPPYRKMY-LJQANCHMSA-N 1 3 310.441 3.848 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423409716 1027541307 /nfs/dbraw/zinc/54/13/07/1027541307.db2.gz ZBAIEBHTCYALDY-XNRPHZJLSA-N 1 3 312.910 3.798 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423409716 1027541320 /nfs/dbraw/zinc/54/13/20/1027541320.db2.gz ZBAIEBHTCYALDY-XNRPHZJLSA-N 1 3 312.910 3.798 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423443925 1027545362 /nfs/dbraw/zinc/54/53/62/1027545362.db2.gz LAISHHSVWXRCFC-MJVIPROJSA-N 1 3 319.449 3.652 20 0 DHADHO CC(C)CN1CCC([NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296173497 1027565589 /nfs/dbraw/zinc/56/55/89/1027565589.db2.gz XUOKURFCMCQIFW-INIZCTEOSA-N 1 3 321.896 3.822 20 0 DHADHO Cc1cc(N)cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000423485638 1027569962 /nfs/dbraw/zinc/56/99/62/1027569962.db2.gz VKEQPKKPTSSMRM-LAUBAEHRSA-N 1 3 323.484 3.577 20 0 DHADHO Cc1cc(N)cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000423485638 1027569969 /nfs/dbraw/zinc/56/99/69/1027569969.db2.gz VKEQPKKPTSSMRM-LAUBAEHRSA-N 1 3 323.484 3.577 20 0 DHADHO Fc1cc2c(cc1Cl)[C@@H]([NH2+]C1CCN(CC3CC3)CC1)CC2 ZINC000527846481 1027905687 /nfs/dbraw/zinc/90/56/87/1027905687.db2.gz FQFFMQDOKOQACM-SFHVURJKSA-N 1 3 322.855 3.930 20 0 DHADHO CC(C)(C)[NH+]1CCC(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)CC1 ZINC000527948722 1027982211 /nfs/dbraw/zinc/98/22/11/1027982211.db2.gz WZCVPQNQCUGJBJ-RCCFBDPRSA-N 1 3 318.892 3.831 20 0 DHADHO CC1(C)[C@@H]2C[C@H](N3CCC([NH3+])(c4ccc(F)cc4)CC3)C[C@@H]21 ZINC001170738197 1027999640 /nfs/dbraw/zinc/99/96/40/1027999640.db2.gz LCRHZNLENQSJCY-BJWYYQGGSA-N 1 3 302.437 3.510 20 0 DHADHO Cc1cnc([C@H]2CCC[N@@H+](CC[C@@H]3CCCCN3C)C2)s1 ZINC000366179589 1028058702 /nfs/dbraw/zinc/05/87/02/1028058702.db2.gz QLYSRUBXZCOTCA-HOTGVXAUSA-N 1 3 307.507 3.505 20 0 DHADHO Cc1cnc([C@H]2CCC[N@H+](CC[C@@H]3CCCCN3C)C2)s1 ZINC000366179589 1028058720 /nfs/dbraw/zinc/05/87/20/1028058720.db2.gz QLYSRUBXZCOTCA-HOTGVXAUSA-N 1 3 307.507 3.505 20 0 DHADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@@H]1OCCc2sccc21 ZINC000366527952 1028089885 /nfs/dbraw/zinc/08/98/85/1028089885.db2.gz JWVIGMQOPRDXEK-DYVFJYSZSA-N 1 3 322.518 3.603 20 0 DHADHO CC(C)CN1CCC([NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449071520 1028334318 /nfs/dbraw/zinc/33/43/18/1028334318.db2.gz HOMDQJGPMGTMAR-AWEZNQCLSA-N 1 3 310.432 3.778 20 0 DHADHO CN1CCC2(CCC[N@@H+]2[C@@H]2CSCCc3ccccc32)CC1 ZINC000368566996 1028372144 /nfs/dbraw/zinc/37/21/44/1028372144.db2.gz KTXUPIIEPLADKO-GOSISDBHSA-N 1 3 316.514 3.577 20 0 DHADHO CN1CCC2(CCC[N@H+]2[C@@H]2CSCCc3ccccc32)CC1 ZINC000368566996 1028372153 /nfs/dbraw/zinc/37/21/53/1028372153.db2.gz KTXUPIIEPLADKO-GOSISDBHSA-N 1 3 316.514 3.577 20 0 DHADHO Cc1ccc2cc(C[N@H+]3CCCC34CCN(C)CC4)ccc2n1 ZINC000368950898 1028428203 /nfs/dbraw/zinc/42/82/03/1028428203.db2.gz OAERVARCZLOMIJ-UHFFFAOYSA-N 1 3 309.457 3.603 20 0 DHADHO Cc1ccc2cc(C[N@@H+]3CCCC34CCN(C)CC4)ccc2n1 ZINC000368950898 1028428210 /nfs/dbraw/zinc/42/82/10/1028428210.db2.gz OAERVARCZLOMIJ-UHFFFAOYSA-N 1 3 309.457 3.603 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCCc2ccc(OC(F)F)cc2)c2ccccc21 ZINC000564823888 1028508291 /nfs/dbraw/zinc/50/82/91/1028508291.db2.gz NGWWFECOYHIUOC-DLBZAZTESA-N 1 3 318.367 3.565 20 0 DHADHO [NH3+]CC[C@H]1CCCN(Cc2cnc(C3CCCCC3)s2)C1 ZINC000564973795 1028521713 /nfs/dbraw/zinc/52/17/13/1028521713.db2.gz ZOLFGUZJXAXNCE-CQSZACIVSA-N 1 3 307.507 3.752 20 0 DHADHO C[C@@H](CC(C)(C)O)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449449958 1028655257 /nfs/dbraw/zinc/65/52/57/1028655257.db2.gz NBFFEMXLVVZKEX-HNNXBMFYSA-N 1 3 312.542 3.805 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC000371109052 1028669792 /nfs/dbraw/zinc/66/97/92/1028669792.db2.gz UKRFJDALTKKVIF-PMACEKPBSA-N 1 3 316.489 3.542 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC000371109052 1028669797 /nfs/dbraw/zinc/66/97/97/1028669797.db2.gz UKRFJDALTKKVIF-PMACEKPBSA-N 1 3 316.489 3.542 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000566810517 1028787960 /nfs/dbraw/zinc/78/79/60/1028787960.db2.gz DQFVRTHCHICJDB-BPLDGKMQSA-N 1 3 300.368 3.610 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000566810517 1028787977 /nfs/dbraw/zinc/78/79/77/1028787977.db2.gz DQFVRTHCHICJDB-BPLDGKMQSA-N 1 3 300.368 3.610 20 0 DHADHO [NH3+]CCC1CCN(Cc2cnc(C3CCCCC3)s2)CC1 ZINC000567052537 1028828250 /nfs/dbraw/zinc/82/82/50/1028828250.db2.gz BOHXFXWCRUPZBG-UHFFFAOYSA-N 1 3 307.507 3.752 20 0 DHADHO c1ccc2c(c1)CCC([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC000449582775 1028828342 /nfs/dbraw/zinc/82/83/42/1028828342.db2.gz AOTDHMGMLYTXCH-UHFFFAOYSA-N 1 3 312.501 3.931 20 0 DHADHO C[C@@H]([NH2+]C1CCC2(CCCO2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000372688771 1028886624 /nfs/dbraw/zinc/88/66/24/1028886624.db2.gz ICKBJTXVUUOTCG-LBVWLFBPSA-N 1 3 320.521 3.721 20 0 DHADHO CCO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449756588 1028977528 /nfs/dbraw/zinc/97/75/28/1028977528.db2.gz BMFGVTVYEYFVDG-OJAHFUOMSA-N 1 3 322.537 3.967 20 0 DHADHO CSc1ccc(CC[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000373903427 1029164465 /nfs/dbraw/zinc/16/44/65/1029164465.db2.gz KXDCRDXYJHXOAT-UHFFFAOYSA-N 1 3 318.530 3.948 20 0 DHADHO CSc1ccc(CCNC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000373903427 1029164473 /nfs/dbraw/zinc/16/44/73/1029164473.db2.gz KXDCRDXYJHXOAT-UHFFFAOYSA-N 1 3 318.530 3.948 20 0 DHADHO CC(C)(C)c1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](N)c3ccccc32)cc1 ZINC000817894705 1029270166 /nfs/dbraw/zinc/27/01/66/1029270166.db2.gz QAJXOJMYFNFZTL-XUVXKRRUSA-N 1 3 324.468 3.752 20 0 DHADHO C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000817905761 1029272579 /nfs/dbraw/zinc/27/25/79/1029272579.db2.gz SUAQWYKSUSKYMN-LTDCPUDJSA-N 1 3 322.468 3.538 20 0 DHADHO [NH3+]CCc1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000817947654 1029285780 /nfs/dbraw/zinc/28/57/80/1029285780.db2.gz DWYAAJOCFIWCRK-KRWDZBQOSA-N 1 3 316.445 3.654 20 0 DHADHO FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]CCNC1CC1 ZINC000817953567 1029295603 /nfs/dbraw/zinc/29/56/03/1029295603.db2.gz OLSGRZWKCLPLDU-HNNXBMFYSA-N 1 3 312.429 3.720 20 0 DHADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817960646 1029301880 /nfs/dbraw/zinc/30/18/80/1029301880.db2.gz OVZAAFHFNPLQOW-PKFCDNJMSA-N 1 3 316.276 3.744 20 0 DHADHO C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccc(SC(F)F)cc1 ZINC000817966986 1029306401 /nfs/dbraw/zinc/30/64/01/1029306401.db2.gz BCXQNWCIXNKJMK-MJVIPROJSA-N 1 3 300.418 3.650 20 0 DHADHO CC[C@H](N)C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817979508 1029315676 /nfs/dbraw/zinc/31/56/76/1029315676.db2.gz LCJZWISKDIYOAA-FZMZJTMJSA-N 1 3 300.418 3.706 20 0 DHADHO FC1(F)CCC(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000374374916 1029318192 /nfs/dbraw/zinc/31/81/92/1029318192.db2.gz YDXZAUKMQLUXFQ-UHFFFAOYSA-N 1 3 300.437 3.809 20 0 DHADHO FC(F)(F)C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000629551602 1029367982 /nfs/dbraw/zinc/36/79/82/1029367982.db2.gz WERNXZJYPSTNFJ-MGPQQGTHSA-N 1 3 304.400 3.619 20 0 DHADHO CC1=Nc2ccc3cc(N[C@@H](N)CCC[NH3+])ccc3c2C1(C)C ZINC001170898554 1029368368 /nfs/dbraw/zinc/36/83/68/1029368368.db2.gz DOUUWQIWTKPWBU-QGZVFWFLSA-N 1 3 310.445 3.659 20 0 DHADHO COc1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)cc1CN1CCCCC1 ZINC000818355917 1029383111 /nfs/dbraw/zinc/38/31/11/1029383111.db2.gz LBKGHDOSNVFEKI-BEFAXECRSA-N 1 3 314.473 3.884 20 0 DHADHO COCc1ccccc1CN[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924604672 1030136189 /nfs/dbraw/zinc/13/61/89/1030136189.db2.gz XFBWGNBUIZSJBF-MRXNPFEDSA-N 1 3 312.457 3.745 20 0 DHADHO CCSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCN(CC)C1 ZINC000924704670 1030165935 /nfs/dbraw/zinc/16/59/35/1030165935.db2.gz GTHYCOWOISGLGZ-HZPDHXFCSA-N 1 3 306.519 3.661 20 0 DHADHO CC1(C)CC2(CC([NH2+]C3CCN(CC4CCCC4)CC3)C2)CO1 ZINC000924856924 1030208752 /nfs/dbraw/zinc/20/87/52/1030208752.db2.gz RHWKNCHWDUJUSG-UHFFFAOYSA-N 1 3 320.521 3.578 20 0 DHADHO CC1CCC(O)(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000357997447 1030274053 /nfs/dbraw/zinc/27/40/53/1030274053.db2.gz CZPRYALOZOYNBU-WBFXSEPVSA-N 1 3 322.537 3.514 20 0 DHADHO CC1CCC(O)(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000357997447 1030274064 /nfs/dbraw/zinc/27/40/64/1030274064.db2.gz CZPRYALOZOYNBU-WBFXSEPVSA-N 1 3 322.537 3.514 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C[C@H](C)O1 ZINC000823747566 1030384111 /nfs/dbraw/zinc/38/41/11/1030384111.db2.gz FLWQSTOOKXKKRJ-HGKCTWBKSA-N 1 3 308.510 3.577 20 0 DHADHO Cc1cccc2c1OCC[C@@H]2N[C@H](CCC[NH3+])c1ccccc1 ZINC000925546651 1030396156 /nfs/dbraw/zinc/39/61/56/1030396156.db2.gz LYRCGZGILDDVDB-MOPGFXCFSA-N 1 3 310.441 3.888 20 0 DHADHO CC(C)c1nc(CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cs1 ZINC000925564368 1030403848 /nfs/dbraw/zinc/40/38/48/1030403848.db2.gz HXBFATOVGALVTA-IAGOWNOFSA-N 1 3 321.534 3.567 20 0 DHADHO Clc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000533536405 1030423052 /nfs/dbraw/zinc/42/30/52/1030423052.db2.gz LMNUMYSOJXCLKS-CRAIPNDOSA-N 1 3 304.865 3.789 20 0 DHADHO Clc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000533536405 1030423058 /nfs/dbraw/zinc/42/30/58/1030423058.db2.gz LMNUMYSOJXCLKS-CRAIPNDOSA-N 1 3 304.865 3.789 20 0 DHADHO FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925681623 1030450146 /nfs/dbraw/zinc/45/01/46/1030450146.db2.gz WGZXUBYSSIGEMX-PMPSAXMXSA-N 1 3 300.437 3.570 20 0 DHADHO FC(F)(F)C1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCCC1 ZINC000925716670 1030463004 /nfs/dbraw/zinc/46/30/04/1030463004.db2.gz BPIMBGKRSBJFJK-HUUCEWRRSA-N 1 3 318.427 3.867 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000925780044 1030496150 /nfs/dbraw/zinc/49/61/50/1030496150.db2.gz QZKBYKCGNKLFHG-KOLCDFICSA-N 1 3 323.214 3.889 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000558256193 1030500079 /nfs/dbraw/zinc/50/00/79/1030500079.db2.gz IJVTXSVAONYUCZ-AVEIZBFRSA-N 1 3 320.427 3.530 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000558256193 1030500087 /nfs/dbraw/zinc/50/00/87/1030500087.db2.gz IJVTXSVAONYUCZ-AVEIZBFRSA-N 1 3 320.427 3.530 20 0 DHADHO FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000558256193 1030500094 /nfs/dbraw/zinc/50/00/94/1030500094.db2.gz IJVTXSVAONYUCZ-AVEIZBFRSA-N 1 3 320.427 3.530 20 0 DHADHO C[NH+]1CCC2(CCN(Cc3cc4c(cccc4Cl)[nH]3)C2)CC1 ZINC001136862609 1030531663 /nfs/dbraw/zinc/53/16/63/1030531663.db2.gz SBBYVXBBJSJSPX-UHFFFAOYSA-N 1 3 317.864 3.739 20 0 DHADHO CC(C)CCN1CCC([NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000926203632 1030653930 /nfs/dbraw/zinc/65/39/30/1030653930.db2.gz NSSYZKBMBWHOIA-UHFFFAOYSA-N 1 3 318.505 3.514 20 0 DHADHO CN(C)CCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000558608567 1030678719 /nfs/dbraw/zinc/67/87/19/1030678719.db2.gz YDGQBKUIJRAVBY-UHFFFAOYSA-N 1 3 312.457 3.649 20 0 DHADHO CN(C)CCC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000558608567 1030678727 /nfs/dbraw/zinc/67/87/27/1030678727.db2.gz YDGQBKUIJRAVBY-UHFFFAOYSA-N 1 3 312.457 3.649 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000247169527 1030679562 /nfs/dbraw/zinc/67/95/62/1030679562.db2.gz YMEWQOSZNPPPBE-RDJZCZTQSA-N 1 3 304.503 3.934 20 0 DHADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccncc1 ZINC000248742883 1030763723 /nfs/dbraw/zinc/76/37/23/1030763723.db2.gz AKWRFQIGZPVRGE-LRGNLBRXSA-N 1 3 321.468 3.928 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)s2)C1 ZINC000249686201 1030800465 /nfs/dbraw/zinc/80/04/65/1030800465.db2.gz OPOQNXREAJIKJO-MNOVXSKESA-N 1 3 317.296 3.503 20 0 DHADHO Cc1ccc([C@@H](NCC[C@@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000926571797 1030800829 /nfs/dbraw/zinc/80/08/29/1030800829.db2.gz CMQSFEUPJWISKB-GHTZIAJQSA-N 1 3 323.484 3.801 20 0 DHADHO Cc1ccc([C@@H](NCC[C@@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000926571797 1030800849 /nfs/dbraw/zinc/80/08/49/1030800849.db2.gz CMQSFEUPJWISKB-GHTZIAJQSA-N 1 3 323.484 3.801 20 0 DHADHO Cc1ccc(C(F)(F)F)c(CN2CCC(C[NH+](C)C)CC2)c1 ZINC001143676078 1030899812 /nfs/dbraw/zinc/89/98/12/1030899812.db2.gz GFBZWJLQGZUCAK-UHFFFAOYSA-N 1 3 314.395 3.787 20 0 DHADHO CCCN1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000161602355 1030930587 /nfs/dbraw/zinc/93/05/87/1030930587.db2.gz YVDBRZIEGWUVJC-QGZVFWFLSA-N 1 3 306.425 3.503 20 0 DHADHO C[C@H]1C[C@@H](N(C)Cc2cccc(N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000261646201 1031045000 /nfs/dbraw/zinc/04/50/00/1031045000.db2.gz GXIUPDDMDSIJIL-UWJYYQICSA-N 1 3 323.484 3.754 20 0 DHADHO C[C@H]1C[C@@H](N(C)Cc2cccc(N)c2)CC[N@H+]1Cc1ccccc1 ZINC000261646201 1031045015 /nfs/dbraw/zinc/04/50/15/1031045015.db2.gz GXIUPDDMDSIJIL-UWJYYQICSA-N 1 3 323.484 3.754 20 0 DHADHO CC[C@@H]1CC[C@H](C)N1CC1(C[N@@H+]2[C@@H](C)CC[C@@H]2CC)COC1 ZINC000360213619 1031326603 /nfs/dbraw/zinc/32/66/03/1031326603.db2.gz QCLGMSLXYVKBMO-XLAORIBOSA-N 1 3 308.510 3.529 20 0 DHADHO CC[C@@H]1CC[C@H](C)N1CC1(C[N@H+]2[C@@H](C)CC[C@@H]2CC)COC1 ZINC000360213619 1031326620 /nfs/dbraw/zinc/32/66/20/1031326620.db2.gz QCLGMSLXYVKBMO-XLAORIBOSA-N 1 3 308.510 3.529 20 0 DHADHO CC[C@@H]1CC[C@H](C)[N@H+]1CC1(CN2[C@@H](C)CC[C@@H]2CC)COC1 ZINC000360213619 1031326635 /nfs/dbraw/zinc/32/66/35/1031326635.db2.gz QCLGMSLXYVKBMO-XLAORIBOSA-N 1 3 308.510 3.529 20 0 DHADHO CC[C@@H]1CC[C@H](C)[N@@H+]1CC1(CN2[C@@H](C)CC[C@@H]2CC)COC1 ZINC000360213619 1031326650 /nfs/dbraw/zinc/32/66/50/1031326650.db2.gz QCLGMSLXYVKBMO-XLAORIBOSA-N 1 3 308.510 3.529 20 0 DHADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CCO1 ZINC000872027645 1031412528 /nfs/dbraw/zinc/41/25/28/1031412528.db2.gz FRWBHFAWFJPDES-OALUTQOASA-N 1 3 322.537 3.824 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000360416236 1031418038 /nfs/dbraw/zinc/41/80/38/1031418038.db2.gz FDBPVOFPANQELD-SJORKVTESA-N 1 3 309.457 3.741 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H]1C ZINC000929781391 1031606392 /nfs/dbraw/zinc/60/63/92/1031606392.db2.gz PJRGNUYRQDPGPF-DZOHQFGASA-N 1 3 322.443 3.840 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H]1C ZINC000929781391 1031606397 /nfs/dbraw/zinc/60/63/97/1031606397.db2.gz PJRGNUYRQDPGPF-DZOHQFGASA-N 1 3 322.443 3.840 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)o2)[C@H](C)C1 ZINC000929998104 1031670868 /nfs/dbraw/zinc/67/08/68/1031670868.db2.gz BRQSVPYWXDGXID-QAPCUYQASA-N 1 3 313.445 3.504 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)o2)[C@H](C)C1 ZINC000929998104 1031670874 /nfs/dbraw/zinc/67/08/74/1031670874.db2.gz BRQSVPYWXDGXID-QAPCUYQASA-N 1 3 313.445 3.504 20 0 DHADHO CC(C)n1nccc1CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232190 1031767952 /nfs/dbraw/zinc/76/79/52/1031767952.db2.gz MPXWKWHXLQUYOV-VQIMIIECSA-N 1 3 318.509 3.584 20 0 DHADHO COCc1ccc(CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000873231691 1031768280 /nfs/dbraw/zinc/76/82/80/1031768280.db2.gz AENDFPMEFJYNLL-DNVCBOLYSA-N 1 3 320.477 3.546 20 0 DHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCSCCC(F)(F)F ZINC000873252963 1031773846 /nfs/dbraw/zinc/77/38/46/1031773846.db2.gz SYPGRPHZAPOWMQ-STQMWFEESA-N 1 3 312.445 3.572 20 0 DHADHO [NH3+][C@H]1C[C@@H](CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000873252474 1031775593 /nfs/dbraw/zinc/77/55/93/1031775593.db2.gz SNHSHLZPDFFRAN-PNPHSEOMSA-N 1 3 318.823 3.895 20 0 DHADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000294138252 1031827738 /nfs/dbraw/zinc/82/77/38/1031827738.db2.gz HGWZPZQUGFDPOB-INIZCTEOSA-N 1 3 316.489 3.567 20 0 DHADHO C[C@H]1CC2(CC([NH2+]C3CCN([C@H]4CCC[C@@H](C)C4)CC3)C2)CO1 ZINC000897779526 1031832296 /nfs/dbraw/zinc/83/22/96/1031832296.db2.gz QSPBWAPVKIKUNU-UXATZLLSSA-N 1 3 320.521 3.577 20 0 DHADHO CCCC[N@H+](C[C@H]1C[C@@]12CCOC2)C1CC(C)(C)NC(C)(C)C1 ZINC000931033930 1032017043 /nfs/dbraw/zinc/01/70/43/1032017043.db2.gz MVRASKCYHTYOAV-OXQOHEQNSA-N 1 3 322.537 3.824 20 0 DHADHO CCCC[N@@H+](C[C@H]1C[C@@]12CCOC2)C1CC(C)(C)NC(C)(C)C1 ZINC000931033930 1032017063 /nfs/dbraw/zinc/01/70/63/1032017063.db2.gz MVRASKCYHTYOAV-OXQOHEQNSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)c(F)c1 ZINC000643523763 1033360987 /nfs/dbraw/zinc/36/09/87/1033360987.db2.gz PLAVQUMBKBWBEE-NSHDSACASA-N 1 3 304.796 3.933 20 0 DHADHO Cc1ccccc1C1CC([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000477935824 1033374166 /nfs/dbraw/zinc/37/41/66/1033374166.db2.gz WNMIAYWGTAODTP-UHFFFAOYSA-N 1 3 300.490 3.953 20 0 DHADHO C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001172884265 1033458474 /nfs/dbraw/zinc/45/84/74/1033458474.db2.gz ZZNNJZUTQBVCKF-AWEZNQCLSA-N 1 3 324.921 3.848 20 0 DHADHO CC[NH+](CC)C1CCC(N[C@@H](C(C)=O)c2ccccc2)CC1 ZINC001173102450 1033540432 /nfs/dbraw/zinc/54/04/32/1033540432.db2.gz YFFCNZIFFGSFBW-ACBHZAAOSA-N 1 3 302.462 3.559 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CC[C@@H](c3ccccc3)O2)[C@H](C)C1 ZINC000878258901 1033639052 /nfs/dbraw/zinc/63/90/52/1033639052.db2.gz WYBMLRBTBJIBIX-GTAWCEEGSA-N 1 3 316.489 3.569 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CC[C@@H](c3ccccc3)O2)[C@H](C)C1 ZINC000878258901 1033639062 /nfs/dbraw/zinc/63/90/62/1033639062.db2.gz WYBMLRBTBJIBIX-GTAWCEEGSA-N 1 3 316.489 3.569 20 0 DHADHO CCc1ccc(C[C@@H](C)N2CCC([NH3+])(CC3CC3)CC2)cc1 ZINC001173237344 1033645589 /nfs/dbraw/zinc/64/55/89/1033645589.db2.gz BBSDSVLWAAIUEO-MRXNPFEDSA-N 1 3 300.490 3.773 20 0 DHADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(OC(F)(F)F)c1 ZINC000479859839 1033924155 /nfs/dbraw/zinc/92/41/55/1033924155.db2.gz CWESSWRJYXEQPE-LBPRGKRZSA-N 1 3 318.383 3.824 20 0 DHADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CC(C(F)(F)F)C3)CC2)C1 ZINC000554140046 1033984540 /nfs/dbraw/zinc/98/45/40/1033984540.db2.gz QONXJQXXCLKLIR-QTISTPMNSA-N 1 3 318.427 3.960 20 0 DHADHO COc1cccc2c1CC[C@H]2NCCC[N@H+](C)Cc1ccccc1 ZINC000480158017 1034102834 /nfs/dbraw/zinc/10/28/34/1034102834.db2.gz HQOWHXJFJKRXLE-HXUWFJFHSA-N 1 3 324.468 3.794 20 0 DHADHO COc1cccc2c1CC[C@H]2NCCC[N@@H+](C)Cc1ccccc1 ZINC000480158017 1034102846 /nfs/dbraw/zinc/10/28/46/1034102846.db2.gz HQOWHXJFJKRXLE-HXUWFJFHSA-N 1 3 324.468 3.794 20 0 DHADHO C[C@H](CCCC(F)(F)F)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000480174733 1034114234 /nfs/dbraw/zinc/11/42/34/1034114234.db2.gz BBFBMFWPGZZBEY-RBSFLKMASA-N 1 3 324.431 3.587 20 0 DHADHO Cc1nc(C)c([C@H](C)NCc2cccc(C[NH+](C)C)c2)s1 ZINC000177733327 1034179512 /nfs/dbraw/zinc/17/95/12/1034179512.db2.gz IXSHGJMDFUBCLC-LBPRGKRZSA-N 1 3 303.475 3.672 20 0 DHADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000178172571 1034215712 /nfs/dbraw/zinc/21/57/12/1034215712.db2.gz XIWBKQVWSBDFRD-AWEZNQCLSA-N 1 3 304.459 3.539 20 0 DHADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000178736989 1034261467 /nfs/dbraw/zinc/26/14/67/1034261467.db2.gz VCWVYLJNNQXWFH-MRXNPFEDSA-N 1 3 324.468 3.924 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000178736989 1034261475 /nfs/dbraw/zinc/26/14/75/1034261475.db2.gz VCWVYLJNNQXWFH-MRXNPFEDSA-N 1 3 324.468 3.924 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192830948 1034819516 /nfs/dbraw/zinc/81/95/16/1034819516.db2.gz MNJUDTGFVOSZBU-QFBILLFUSA-N 1 3 301.478 3.643 20 0 DHADHO CO[C@@H](C)[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000482634752 1035154094 /nfs/dbraw/zinc/15/40/94/1035154094.db2.gz VEDGMHKRPHEVBJ-CABCVRRESA-N 1 3 324.896 3.565 20 0 DHADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000483188238 1035240072 /nfs/dbraw/zinc/24/00/72/1035240072.db2.gz ARWZAZXLDXPLKR-RDTXWAMCSA-N 1 3 304.478 3.734 20 0 DHADHO CC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)c(F)c1 ZINC001168368293 1035306766 /nfs/dbraw/zinc/30/67/66/1035306766.db2.gz GKNWKYKWIBLHHI-GOSISDBHSA-N 1 3 308.416 3.880 20 0 DHADHO C[C@]1(C[NH3+])CCCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC001206305443 1035378993 /nfs/dbraw/zinc/37/89/93/1035378993.db2.gz ZMAWOYCZLBLPRJ-HNNXBMFYSA-N 1 3 301.261 3.944 20 0 DHADHO CCCCN1CCC([NH2+]Cc2cc(C)c3ncccc3c2)CC1 ZINC001177506211 1035374627 /nfs/dbraw/zinc/37/46/27/1035374627.db2.gz HTSIURZPNZPXQO-UHFFFAOYSA-N 1 3 311.473 3.897 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(O)c1 ZINC000194971226 1035381488 /nfs/dbraw/zinc/38/14/88/1035381488.db2.gz IUBXHUWALFAYJS-AEFFLSMTSA-N 1 3 310.441 3.565 20 0 DHADHO CCO[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC001177581216 1035382036 /nfs/dbraw/zinc/38/20/36/1035382036.db2.gz KLJVLMPCLIAVAV-WOJBJXKFSA-N 1 3 322.537 3.968 20 0 DHADHO COc1ccccc1[C@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904384315 1035409998 /nfs/dbraw/zinc/40/99/98/1035409998.db2.gz INWGHZWNHUPVHJ-PXNSSMCTSA-N 1 3 316.489 3.654 20 0 DHADHO COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195133301 1035415509 /nfs/dbraw/zinc/41/55/09/1035415509.db2.gz KARVXEXJAQGFDI-HKUYNNGSSA-N 1 3 324.468 3.868 20 0 DHADHO Cc1c(C)c(C)c(CN2CCCC[C@](F)(C[NH3+])C2)c(C)c1C ZINC001206361088 1035460686 /nfs/dbraw/zinc/46/06/86/1035460686.db2.gz FZDRIQANBPVQLO-IBGZPJMESA-N 1 3 306.469 3.882 20 0 DHADHO C[NH+](C)C1(C)CCC(NCc2c(F)ccc(F)c2Cl)CC1 ZINC001179390278 1035476702 /nfs/dbraw/zinc/47/67/02/1035476702.db2.gz GDVLTCAIAKEKOT-UHFFFAOYSA-N 1 3 316.823 3.971 20 0 DHADHO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001180097426 1035584446 /nfs/dbraw/zinc/58/44/46/1035584446.db2.gz DVVCNKFNLAVAAT-VAMGGRTRSA-N 1 3 300.490 3.986 20 0 DHADHO CN(CC[C@H]1CCCC[N@H+]1C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001180097426 1035584454 /nfs/dbraw/zinc/58/44/54/1035584454.db2.gz DVVCNKFNLAVAAT-VAMGGRTRSA-N 1 3 300.490 3.986 20 0 DHADHO Cc1ncsc1CCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC001193252700 1035596608 /nfs/dbraw/zinc/59/66/08/1035596608.db2.gz ZSBZWDLZSRSEOA-ZBFHGGJFSA-N 1 3 321.534 3.627 20 0 DHADHO COc1ccc([C@H](C)CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000539406779 1035719598 /nfs/dbraw/zinc/71/95/98/1035719598.db2.gz DLDAEPASCPLYNS-SJLPKXTDSA-N 1 3 304.478 3.605 20 0 DHADHO COc1ccc([C@H](C)CN(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000539406779 1035719614 /nfs/dbraw/zinc/71/96/14/1035719614.db2.gz DLDAEPASCPLYNS-SJLPKXTDSA-N 1 3 304.478 3.605 20 0 DHADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C12CCCCC2 ZINC000539497469 1035754608 /nfs/dbraw/zinc/75/46/08/1035754608.db2.gz XLCYPFDXRHFICT-IPMKNSEASA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H](Cc1cccc(F)c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001168468132 1035817795 /nfs/dbraw/zinc/81/77/95/1035817795.db2.gz LMTAVPIYRDXPCU-MAUKXSAKSA-N 1 3 304.453 3.753 20 0 DHADHO C[C@@H](Cc1cccc(F)c1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001168468132 1035817815 /nfs/dbraw/zinc/81/78/15/1035817815.db2.gz LMTAVPIYRDXPCU-MAUKXSAKSA-N 1 3 304.453 3.753 20 0 DHADHO COc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1C(C)(C)C ZINC001181534337 1035934689 /nfs/dbraw/zinc/93/46/89/1035934689.db2.gz JTTQJUVDEWREOD-YJBOKZPZSA-N 1 3 318.505 3.765 20 0 DHADHO COc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1C(C)(C)C ZINC001181534337 1035934700 /nfs/dbraw/zinc/93/47/00/1035934700.db2.gz JTTQJUVDEWREOD-YJBOKZPZSA-N 1 3 318.505 3.765 20 0 DHADHO CCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1F ZINC000494961314 1036145177 /nfs/dbraw/zinc/14/51/77/1036145177.db2.gz UKFIPZKEMVSSFM-HOCLYGCPSA-N 1 3 308.441 3.529 20 0 DHADHO CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1F ZINC000494961314 1036145186 /nfs/dbraw/zinc/14/51/86/1036145186.db2.gz UKFIPZKEMVSSFM-HOCLYGCPSA-N 1 3 308.441 3.529 20 0 DHADHO CCOc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1F ZINC000494981039 1036160659 /nfs/dbraw/zinc/16/06/59/1036160659.db2.gz QCWLVZLDIKYIBV-UHFFFAOYSA-N 1 3 322.468 3.778 20 0 DHADHO c1ccc2c(c1)CC[C@@H](C[N@H+]1CC[C@@H](CN3CCCCC3)C1)C2 ZINC000541059059 1036226474 /nfs/dbraw/zinc/22/64/74/1036226474.db2.gz BTZYSPIOPHYCHW-MOPGFXCFSA-N 1 3 312.501 3.599 20 0 DHADHO c1ccc2c(c1)CC[C@@H](C[N@@H+]1CC[C@@H](CN3CCCCC3)C1)C2 ZINC000541059059 1036226487 /nfs/dbraw/zinc/22/64/87/1036226487.db2.gz BTZYSPIOPHYCHW-MOPGFXCFSA-N 1 3 312.501 3.599 20 0 DHADHO CCCC[N@H+](CCCN(CC)CC)[C@H]1CCc2ncsc2C1 ZINC001195778290 1036345197 /nfs/dbraw/zinc/34/51/97/1036345197.db2.gz RJGSFDBNFJOIFG-INIZCTEOSA-N 1 3 323.550 3.834 20 0 DHADHO CCCC[N@@H+](CCCN(CC)CC)[C@H]1CCc2ncsc2C1 ZINC001195778290 1036345215 /nfs/dbraw/zinc/34/52/15/1036345215.db2.gz RJGSFDBNFJOIFG-INIZCTEOSA-N 1 3 323.550 3.834 20 0 DHADHO CCCCN(CCC[NH+](CC)CC)[C@H]1CCc2ncsc2C1 ZINC001195778290 1036345231 /nfs/dbraw/zinc/34/52/31/1036345231.db2.gz RJGSFDBNFJOIFG-INIZCTEOSA-N 1 3 323.550 3.834 20 0 DHADHO Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)o1 ZINC000541882371 1036450449 /nfs/dbraw/zinc/45/04/49/1036450449.db2.gz GVXRYHGVIDSZQM-SESVDKBCSA-N 1 3 324.468 3.631 20 0 DHADHO CCC1([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000541908958 1036455934 /nfs/dbraw/zinc/45/59/34/1036455934.db2.gz YCOSPXZXGMVZPS-SJLPKXTDSA-N 1 3 308.510 3.578 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC001182902236 1036479328 /nfs/dbraw/zinc/47/93/28/1036479328.db2.gz LACLIZCEBYRNRD-AWEZNQCLSA-N 1 3 312.860 3.733 20 0 DHADHO C(=C/c1ccncc1)\CNCc1ccccc1C[NH+]1CCCCC1 ZINC000486956468 1036486601 /nfs/dbraw/zinc/48/66/01/1036486601.db2.gz OBHYSKIQTUJZBJ-VOTSOKGWSA-N 1 3 321.468 3.871 20 0 DHADHO CC(C)COc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206549619 1036490662 /nfs/dbraw/zinc/49/06/62/1036490662.db2.gz PGBXIWREGBPZRT-IBGZPJMESA-N 1 3 304.478 3.672 20 0 DHADHO CCCC[N@H+](C[C@@H]1CCCC[C@H]1O)C1CC(C)(C)NC(C)(C)C1 ZINC001196546500 1036564716 /nfs/dbraw/zinc/56/47/16/1036564716.db2.gz ZOOCMQBDSRJNBL-FUHWJXTLSA-N 1 3 324.553 3.949 20 0 DHADHO CCCC[N@@H+](C[C@@H]1CCCC[C@H]1O)C1CC(C)(C)NC(C)(C)C1 ZINC001196546500 1036564724 /nfs/dbraw/zinc/56/47/24/1036564724.db2.gz ZOOCMQBDSRJNBL-FUHWJXTLSA-N 1 3 324.553 3.949 20 0 DHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC/C=C\c2ccncc2)CC1 ZINC000487281676 1036638046 /nfs/dbraw/zinc/63/80/46/1036638046.db2.gz YRNWSIURVWGHIQ-XFHJGTJQSA-N 1 3 321.468 3.910 20 0 DHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC/C=C\c2ccncc2)C1 ZINC000487332141 1036672092 /nfs/dbraw/zinc/67/20/92/1036672092.db2.gz ZCNXROARDKGUAL-PKKYDLFWSA-N 1 3 307.441 3.520 20 0 DHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC/C=C\c2ccncc2)C1 ZINC000487332141 1036672102 /nfs/dbraw/zinc/67/21/02/1036672102.db2.gz ZCNXROARDKGUAL-PKKYDLFWSA-N 1 3 307.441 3.520 20 0 DHADHO c1ccc(OCCCC[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000668817991 1036828831 /nfs/dbraw/zinc/82/88/31/1036828831.db2.gz DNZSUBDUTMBRQN-LJQANCHMSA-N 1 3 316.489 3.557 20 0 DHADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000629553928 1036947214 /nfs/dbraw/zinc/94/72/14/1036947214.db2.gz DTBINKJOQRQWSJ-HUUCEWRRSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@@H](C[NH2+]C1CC(c2ccccc2F)C1)CN1CCCCC1 ZINC000237334865 1037004522 /nfs/dbraw/zinc/00/45/22/1037004522.db2.gz KEQCUPNZVCWRQP-GTPINHCMSA-N 1 3 304.453 3.783 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000570249167 1037135970 /nfs/dbraw/zinc/13/59/70/1037135970.db2.gz VNPPPAAJNQLRLM-RLLQIKCJSA-N 1 3 300.490 3.817 20 0 DHADHO CCCC[NH+]1CCC2(C[C@H](N(C)Cc3cccs3)CO2)CC1 ZINC001201706172 1037849739 /nfs/dbraw/zinc/84/97/39/1037849739.db2.gz LCZHJAWULRSKGQ-INIZCTEOSA-N 1 3 322.518 3.604 20 0 DHADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000125954516 1037992080 /nfs/dbraw/zinc/99/20/80/1037992080.db2.gz QMKLBTVAWSDDAK-OXQOHEQNSA-N 1 3 316.489 3.783 20 0 DHADHO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000125984114 1038009550 /nfs/dbraw/zinc/00/95/50/1038009550.db2.gz OYYQJCIPPATWIS-IAGOWNOFSA-N 1 3 304.478 3.856 20 0 DHADHO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000125984353 1038011259 /nfs/dbraw/zinc/01/12/59/1038011259.db2.gz OYYQJCIPPATWIS-DLBZAZTESA-N 1 3 304.478 3.856 20 0 DHADHO CN1CCCC[C@@H]1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494456735 1038105967 /nfs/dbraw/zinc/10/59/67/1038105967.db2.gz YBONHWOZUKALCD-FGTMMUONSA-N 1 3 322.880 3.634 20 0 DHADHO CN1CCCC[C@@H]1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494456737 1038108028 /nfs/dbraw/zinc/10/80/28/1038108028.db2.gz YBONHWOZUKALCD-KZNAEPCWSA-N 1 3 322.880 3.634 20 0 DHADHO C[C@@H]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205604012 1038683185 /nfs/dbraw/zinc/68/31/85/1038683185.db2.gz UDOUZTQHVCPAEO-YPMHNXCESA-N 1 3 318.358 3.651 20 0 DHADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168404681 1039800680 /nfs/dbraw/zinc/80/06/80/1039800680.db2.gz NBNYXHNJMJAOEN-QGZVFWFLSA-N 1 3 304.453 3.663 20 0 DHADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCSCc1ccccc1)C2 ZINC000595504576 1040154401 /nfs/dbraw/zinc/15/44/01/1040154401.db2.gz JYKRAXAXMKAWAN-LJQANCHMSA-N 1 3 318.530 3.728 20 0 DHADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCSCc1ccccc1)C2 ZINC000595504576 1040154409 /nfs/dbraw/zinc/15/44/09/1040154409.db2.gz JYKRAXAXMKAWAN-LJQANCHMSA-N 1 3 318.530 3.728 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000608067700 1040366127 /nfs/dbraw/zinc/36/61/27/1040366127.db2.gz NJEBTXMOTPYEGS-ABAIWWIYSA-N 1 3 301.261 3.813 20 0 DHADHO CCSCC[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000597227672 1040692789 /nfs/dbraw/zinc/69/27/89/1040692789.db2.gz AHJLGLXKFQEJNG-GOSISDBHSA-N 1 3 318.530 3.631 20 0 DHADHO CCCOc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000534332270 1040809005 /nfs/dbraw/zinc/80/90/05/1040809005.db2.gz HWKYVBWOZYKVEM-UHFFFAOYSA-N 1 3 316.489 3.783 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000093978080 193333732 /nfs/dbraw/zinc/33/37/32/193333732.db2.gz OISYIJKCSDNSGI-TYNCELHUSA-N 1 3 311.267 3.582 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000093978080 193333734 /nfs/dbraw/zinc/33/37/34/193333734.db2.gz OISYIJKCSDNSGI-TYNCELHUSA-N 1 3 311.267 3.582 20 0 DHADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152378587 335035602 /nfs/dbraw/zinc/03/56/02/335035602.db2.gz PSPYQIAITBIXAY-TYILLQQXSA-N 1 3 302.437 3.523 20 0 DHADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152378587 335035603 /nfs/dbraw/zinc/03/56/03/335035603.db2.gz PSPYQIAITBIXAY-TYILLQQXSA-N 1 3 302.437 3.523 20 0 DHADHO CN1CC=C(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272547763 130041226 /nfs/dbraw/zinc/04/12/26/130041226.db2.gz QYKRXSKBXZCSCH-IBGZPJMESA-N 1 3 300.421 3.613 20 0 DHADHO Cc1cncc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000274419163 130234253 /nfs/dbraw/zinc/23/42/53/130234253.db2.gz TWMXLHHSTSIGGM-WSTZPKSXSA-N 1 3 323.484 3.951 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc(C(F)(F)F)c1)C2 ZINC000285360232 131160722 /nfs/dbraw/zinc/16/07/22/131160722.db2.gz BKUHGLIFHDOVEM-XYPWUTKMSA-N 1 3 312.379 3.762 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc(C(F)(F)F)c1)C2 ZINC000285360232 131160723 /nfs/dbraw/zinc/16/07/23/131160723.db2.gz BKUHGLIFHDOVEM-XYPWUTKMSA-N 1 3 312.379 3.762 20 0 DHADHO Cc1cc([C@@H](C)NC2CC[NH+](C)CC2)sc1Br ZINC000285572549 131182283 /nfs/dbraw/zinc/18/22/83/131182283.db2.gz WHIGIWKRAVFOPI-SNVBAGLBSA-N 1 3 317.296 3.564 20 0 DHADHO CC(C)Oc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000285597289 131185613 /nfs/dbraw/zinc/18/56/13/131185613.db2.gz VABCPFCHSJHRCA-JWTNVVGKSA-N 1 3 302.462 3.531 20 0 DHADHO CC(C)Oc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000285597289 131185615 /nfs/dbraw/zinc/18/56/15/131185615.db2.gz VABCPFCHSJHRCA-JWTNVVGKSA-N 1 3 302.462 3.531 20 0 DHADHO Cc1ccnc([C@H](C)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000285853111 131206424 /nfs/dbraw/zinc/20/64/24/131206424.db2.gz XYJRYRZEUJZFNA-KSZLIROESA-N 1 3 303.494 3.799 20 0 DHADHO Cc1ccnc([C@H](C)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000285853111 131206426 /nfs/dbraw/zinc/20/64/26/131206426.db2.gz XYJRYRZEUJZFNA-KSZLIROESA-N 1 3 303.494 3.799 20 0 DHADHO CCSc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000289565187 131396415 /nfs/dbraw/zinc/39/64/15/131396415.db2.gz JEYMFJDEQLNURV-SJPCQFCGSA-N 1 3 304.503 3.856 20 0 DHADHO CCSc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000289565187 131396417 /nfs/dbraw/zinc/39/64/17/131396417.db2.gz JEYMFJDEQLNURV-SJPCQFCGSA-N 1 3 304.503 3.856 20 0 DHADHO C[C@@H](c1ccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)cc1)C(F)(F)F ZINC000297523476 132020447 /nfs/dbraw/zinc/02/04/47/132020447.db2.gz OQYCDCKCOPJNKA-ZFWWWQNUSA-N 1 3 314.395 3.736 20 0 DHADHO C[C@@H](c1ccc(C[N@H+]2CC[C@@H](CN(C)C)C2)cc1)C(F)(F)F ZINC000297523476 132020448 /nfs/dbraw/zinc/02/04/48/132020448.db2.gz OQYCDCKCOPJNKA-ZFWWWQNUSA-N 1 3 314.395 3.736 20 0 DHADHO CCOc1cc(CNCCCC[N@@H+]2CCCC[C@@H]2C)ccc1O ZINC000298318058 132055719 /nfs/dbraw/zinc/05/57/19/132055719.db2.gz IFTSVUUIYFUSAD-INIZCTEOSA-N 1 3 320.477 3.535 20 0 DHADHO CCOc1cc(CNCCCC[N@H+]2CCCC[C@@H]2C)ccc1O ZINC000298318058 132055720 /nfs/dbraw/zinc/05/57/20/132055720.db2.gz IFTSVUUIYFUSAD-INIZCTEOSA-N 1 3 320.477 3.535 20 0 DHADHO C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)N1CCCC[C@H]1C ZINC000584251249 332014043 /nfs/dbraw/zinc/01/40/43/332014043.db2.gz FYNPDZIJZZQLNT-MSOLQXFVSA-N 1 3 321.553 3.636 20 0 DHADHO C[N@@H+]1CCC[C@@]2(CCN(CCCOc3ccc(Cl)cc3)C2)C1 ZINC000559312524 332023558 /nfs/dbraw/zinc/02/35/58/332023558.db2.gz VTTFDKKVXHSLRZ-GOSISDBHSA-N 1 3 322.880 3.527 20 0 DHADHO C[N@H+]1CCC[C@@]2(CCN(CCCOc3ccc(Cl)cc3)C2)C1 ZINC000559312524 332023559 /nfs/dbraw/zinc/02/35/59/332023559.db2.gz VTTFDKKVXHSLRZ-GOSISDBHSA-N 1 3 322.880 3.527 20 0 DHADHO CC[NH+]1CCC(CCN[C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000569467104 332096590 /nfs/dbraw/zinc/09/65/90/332096590.db2.gz VPLDJQYCKIPRJS-SFHVURJKSA-N 1 3 324.896 3.739 20 0 DHADHO COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC[C@@H]1C)CC2 ZINC000317730344 332139837 /nfs/dbraw/zinc/13/98/37/332139837.db2.gz VRTRBUABNLGSQG-HNAYVOBHSA-N 1 3 302.462 3.537 20 0 DHADHO COc1cc(C)cc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559787057 332281971 /nfs/dbraw/zinc/28/19/71/332281971.db2.gz MHSULWANCKTXAX-CTNGQTDRSA-N 1 3 324.468 3.929 20 0 DHADHO COc1cc(C)cc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559787057 332281974 /nfs/dbraw/zinc/28/19/74/332281974.db2.gz MHSULWANCKTXAX-CTNGQTDRSA-N 1 3 324.468 3.929 20 0 DHADHO C[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000179464488 333025218 /nfs/dbraw/zinc/02/52/18/333025218.db2.gz ALPBOILWPVNYHM-KRWDZBQOSA-N 1 3 309.457 3.644 20 0 DHADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000110644708 333039820 /nfs/dbraw/zinc/03/98/20/333039820.db2.gz WREKELNMOBRGPB-LLVKDONJSA-N 1 3 318.408 3.858 20 0 DHADHO COc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000183186766 333183634 /nfs/dbraw/zinc/18/36/34/333183634.db2.gz IFDGSNBLKCYBFO-JFIYKMOQSA-N 1 3 316.489 3.999 20 0 DHADHO c1ccc(CN2CCCC[C@@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000309827027 333201204 /nfs/dbraw/zinc/20/12/04/333201204.db2.gz FDASZIPOSLXFOZ-OALUTQOASA-N 1 3 318.530 3.631 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccccc1C(F)(F)F ZINC000019993105 333272883 /nfs/dbraw/zinc/27/28/83/333272883.db2.gz DHFRSUWRMNZNCK-ZDUSSCGKSA-N 1 3 300.368 3.842 20 0 DHADHO COc1cccc2cc([C@H](C)[NH2+]CCCN3CCCCC3)oc21 ZINC000390396671 333276507 /nfs/dbraw/zinc/27/65/07/333276507.db2.gz GEECHYDLHYKHAW-HNNXBMFYSA-N 1 3 316.445 3.968 20 0 DHADHO CC1(C)CCC(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000319486474 333308297 /nfs/dbraw/zinc/30/82/97/333308297.db2.gz VGUKLHILGDGXTQ-UHFFFAOYSA-N 1 3 301.478 3.856 20 0 DHADHO CCC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000390708854 333317077 /nfs/dbraw/zinc/31/70/77/333317077.db2.gz WBIKTHMBVOWCGU-NXEWRWPSSA-N 1 3 316.489 3.587 20 0 DHADHO CCC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000390708854 333317079 /nfs/dbraw/zinc/31/70/79/333317079.db2.gz WBIKTHMBVOWCGU-NXEWRWPSSA-N 1 3 316.489 3.587 20 0 DHADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CC1(C)C ZINC000414105371 333897325 /nfs/dbraw/zinc/89/73/25/333897325.db2.gz WCMOMDYULIKSHW-MSOLQXFVSA-N 1 3 301.478 3.712 20 0 DHADHO C[C@@H]1C[C@@H](CN2CCSC[C@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414710318 334072899 /nfs/dbraw/zinc/07/28/99/334072899.db2.gz RUXVHNKCJYULNI-KEYYUXOJSA-N 1 3 324.921 3.818 20 0 DHADHO FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000414783797 334094407 /nfs/dbraw/zinc/09/44/07/334094407.db2.gz REPJLCKRFJAEJB-JKSUJKDBSA-N 1 3 312.379 3.683 20 0 DHADHO C[C@H]1[C@@H](N)CC[N@@H+]1CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414784725 334095424 /nfs/dbraw/zinc/09/54/24/334095424.db2.gz KYZBNBXGFLVYLN-DJJJIMSYSA-N 1 3 316.395 3.518 20 0 DHADHO C[C@H]1[C@@H](N)CC[N@H+]1CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414784725 334095425 /nfs/dbraw/zinc/09/54/25/334095425.db2.gz KYZBNBXGFLVYLN-DJJJIMSYSA-N 1 3 316.395 3.518 20 0 DHADHO CCn1c2ccccc2c2cc(C[NH2+]C3CCNCC3)ccc21 ZINC000414788426 334096583 /nfs/dbraw/zinc/09/65/83/334096583.db2.gz MMNGCBCZSLVSJT-UHFFFAOYSA-N 1 3 307.441 3.656 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000343507502 335172695 /nfs/dbraw/zinc/17/26/95/335172695.db2.gz YASTWXWIIZKBME-HCXYKTFWSA-N 1 3 313.489 3.633 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000343507502 335172696 /nfs/dbraw/zinc/17/26/96/335172696.db2.gz YASTWXWIIZKBME-HCXYKTFWSA-N 1 3 313.489 3.633 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000343507502 335172698 /nfs/dbraw/zinc/17/26/98/335172698.db2.gz YASTWXWIIZKBME-HCXYKTFWSA-N 1 3 313.489 3.633 20 0 DHADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000414805008 334104065 /nfs/dbraw/zinc/10/40/65/334104065.db2.gz GBJZYAJBPCJQSP-NSHDSACASA-N 1 3 324.346 3.737 20 0 DHADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(OC(F)F)cc2)cc1 ZINC000414809995 334104798 /nfs/dbraw/zinc/10/47/98/334104798.db2.gz NEPSVPALXBXWLD-LBPRGKRZSA-N 1 3 306.356 3.598 20 0 DHADHO Cc1ccc(-c2ncc(CN[C@@H]3CCCC[C@@H]3C[NH3+])s2)cc1 ZINC000414811401 334105883 /nfs/dbraw/zinc/10/58/83/334105883.db2.gz WCJQNIROBOBGMI-NVXWUHKLSA-N 1 3 315.486 3.726 20 0 DHADHO Cc1ccc2cc(CNCc3ccc([C@@H](C)[NH3+])cc3)ccc2n1 ZINC000414811125 334105917 /nfs/dbraw/zinc/10/59/17/334105917.db2.gz IZGFKJWOFQJEES-OAHLLOKOSA-N 1 3 305.425 3.853 20 0 DHADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000414835297 334111335 /nfs/dbraw/zinc/11/13/35/334111335.db2.gz IINCLLHSWIZELJ-KFKAGJAMSA-N 1 3 304.478 3.555 20 0 DHADHO C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000414835297 334111337 /nfs/dbraw/zinc/11/13/37/334111337.db2.gz IINCLLHSWIZELJ-KFKAGJAMSA-N 1 3 304.478 3.555 20 0 DHADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000414835295 334111394 /nfs/dbraw/zinc/11/13/94/334111394.db2.gz IINCLLHSWIZELJ-IPELMVKDSA-N 1 3 304.478 3.555 20 0 DHADHO C[NH2+]C[C@H](C)CN[C@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000414835295 334111395 /nfs/dbraw/zinc/11/13/95/334111395.db2.gz IINCLLHSWIZELJ-IPELMVKDSA-N 1 3 304.478 3.555 20 0 DHADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414848888 334121472 /nfs/dbraw/zinc/12/14/72/334121472.db2.gz XOZKTSLQOJWRBO-APHBMKBZSA-N 1 3 314.395 3.787 20 0 DHADHO C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414848888 334121474 /nfs/dbraw/zinc/12/14/74/334121474.db2.gz XOZKTSLQOJWRBO-APHBMKBZSA-N 1 3 314.395 3.787 20 0 DHADHO c1sc2ccccc2c1CNCCC[NH2+]Cc1cccnc1 ZINC000414880618 334150550 /nfs/dbraw/zinc/15/05/50/334150550.db2.gz QQSMDOPZOPBAHK-UHFFFAOYSA-N 1 3 311.454 3.566 20 0 DHADHO N[C@H](C[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000414889352 334157116 /nfs/dbraw/zinc/15/71/16/334157116.db2.gz LMZFTOOPBVHURL-ANIGNSTFSA-N 1 3 322.452 3.606 20 0 DHADHO CC1(CNCc2ccc(F)c(Cl)c2Cl)CC[NH2+]CC1 ZINC000414900249 334164023 /nfs/dbraw/zinc/16/40/23/334164023.db2.gz ICZROBOIGFADEB-UHFFFAOYSA-N 1 3 305.224 3.612 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414905621 334168869 /nfs/dbraw/zinc/16/88/69/334168869.db2.gz LOXNIKUEHDGSEI-CZUORRHYSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414905621 334168871 /nfs/dbraw/zinc/16/88/71/334168871.db2.gz LOXNIKUEHDGSEI-CZUORRHYSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@@H](CNCC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000414909632 334172027 /nfs/dbraw/zinc/17/20/27/334172027.db2.gz TXLDMKSSQHMHNN-SWLSCSKDSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414944463 334204139 /nfs/dbraw/zinc/20/41/39/334204139.db2.gz GURXLRHHMYJTQN-XJKCOSOUSA-N 1 3 314.395 3.757 20 0 DHADHO C[C@H](CCc1cccc(C(F)(F)F)c1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414944463 334204140 /nfs/dbraw/zinc/20/41/40/334204140.db2.gz GURXLRHHMYJTQN-XJKCOSOUSA-N 1 3 314.395 3.757 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414946005 334205184 /nfs/dbraw/zinc/20/51/84/334205184.db2.gz JDOCXQVVKUDOHT-UTUOFQBUSA-N 1 3 301.261 3.655 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414946005 334205186 /nfs/dbraw/zinc/20/51/86/334205186.db2.gz JDOCXQVVKUDOHT-UTUOFQBUSA-N 1 3 301.261 3.655 20 0 DHADHO C[C@@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414946003 334205228 /nfs/dbraw/zinc/20/52/28/334205228.db2.gz JDOCXQVVKUDOHT-GRYCIOLGSA-N 1 3 301.261 3.655 20 0 DHADHO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414946003 334205230 /nfs/dbraw/zinc/20/52/30/334205230.db2.gz JDOCXQVVKUDOHT-GRYCIOLGSA-N 1 3 301.261 3.655 20 0 DHADHO C[C@@H](CN[C@H]1CCC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415083988 334272488 /nfs/dbraw/zinc/27/24/88/334272488.db2.gz ONHJQMFJHDTJRT-RYUDHWBXSA-N 1 3 301.261 3.829 20 0 DHADHO C[C@@H](C[NH2+][C@H]1CCCNCC1)c1c(Cl)cccc1Cl ZINC000415083988 334272489 /nfs/dbraw/zinc/27/24/89/334272489.db2.gz ONHJQMFJHDTJRT-RYUDHWBXSA-N 1 3 301.261 3.829 20 0 DHADHO C[C@H]1C[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)CCN1 ZINC000414951325 334207376 /nfs/dbraw/zinc/20/73/76/334207376.db2.gz PSEVIKLEKHMVCM-NWDGAFQWSA-N 1 3 301.261 3.656 20 0 DHADHO C[C@H]1C[C@H](NCCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414951325 334207377 /nfs/dbraw/zinc/20/73/77/334207377.db2.gz PSEVIKLEKHMVCM-NWDGAFQWSA-N 1 3 301.261 3.656 20 0 DHADHO CC1(C)CNCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414967761 334215306 /nfs/dbraw/zinc/21/53/06/334215306.db2.gz HJUGJDLINASCLX-QGZVFWFLSA-N 1 3 300.471 3.893 20 0 DHADHO FC(F)(F)c1ccc(Cl)c(CNCCC[C@H]2CCC[NH2+]2)c1 ZINC000414969852 334215860 /nfs/dbraw/zinc/21/58/60/334215860.db2.gz JSMYAWGAAMXTLQ-ZDUSSCGKSA-N 1 3 320.786 3.981 20 0 DHADHO c1ccc2cc(OCCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000415082453 334273273 /nfs/dbraw/zinc/27/32/73/334273273.db2.gz LSOFFGAKWSQOMV-PWRODBHTSA-N 1 3 324.468 3.729 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000415007950 334250478 /nfs/dbraw/zinc/25/04/78/334250478.db2.gz RZNKVCXLNDLMPU-IWKCEXAMSA-N 1 3 304.453 3.687 20 0 DHADHO CC1(C)CC[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000415012860 334258364 /nfs/dbraw/zinc/25/83/64/334258364.db2.gz XVIJRAFRWOQMGX-CGTJXYLNSA-N 1 3 304.453 3.687 20 0 DHADHO c1ccc([C@H]2C[C@@H](NCc3cccc4c3CCCN4)CC[NH2+]2)cc1 ZINC000415029096 334260054 /nfs/dbraw/zinc/26/00/54/334260054.db2.gz DECOAYXHONBGKK-GHTZIAJQSA-N 1 3 321.468 3.628 20 0 DHADHO FC(F)(F)c1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415036159 334260449 /nfs/dbraw/zinc/26/04/49/334260449.db2.gz FJYVPLIIOFOSNH-HOCLYGCPSA-N 1 3 312.379 3.669 20 0 DHADHO [NH3+]C[C@H]1CC[C@@H](NCc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000415048249 334261498 /nfs/dbraw/zinc/26/14/98/334261498.db2.gz WRKBASRMYAFDTO-XJKSGUPXSA-N 1 3 322.880 3.878 20 0 DHADHO CSc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415059201 334262031 /nfs/dbraw/zinc/26/20/31/334262031.db2.gz URVPASQOQHVDHK-SFHVURJKSA-N 1 3 300.471 3.978 20 0 DHADHO c1sc2ccccc2c1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415089873 334279891 /nfs/dbraw/zinc/27/98/91/334279891.db2.gz YIIFKFVYIKWVDZ-RCCFBDPRSA-N 1 3 314.498 3.954 20 0 DHADHO COc1cccc2c1CC[C@@H]2N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415092213 334280422 /nfs/dbraw/zinc/28/04/22/334280422.db2.gz SHIOKJWUSXSEFY-UXPWSPDFSA-N 1 3 322.452 3.765 20 0 DHADHO Cc1ccccc1C(C)(C)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415095285 334280948 /nfs/dbraw/zinc/28/09/48/334280948.db2.gz ZISCGSGJUZEBGR-QXAKKESOSA-N 1 3 300.490 3.783 20 0 DHADHO Fc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000415095057 334280997 /nfs/dbraw/zinc/28/09/97/334280997.db2.gz YSZBBKGNYYKRKX-USXIJHARSA-N 1 3 310.844 3.532 20 0 DHADHO Fc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000415095054 334281021 /nfs/dbraw/zinc/28/10/21/334281021.db2.gz YSZBBKGNYYKRKX-DJIMGWMZSA-N 1 3 310.844 3.532 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000415102127 334282670 /nfs/dbraw/zinc/28/26/70/334282670.db2.gz JJHLIQXYGZCLKU-ZYRRHWMLSA-N 1 3 308.416 3.579 20 0 DHADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c(OC(C)(C)C)c1 ZINC000531979432 334350804 /nfs/dbraw/zinc/35/08/04/334350804.db2.gz LYQXJDATZRRWST-JFIYKMOQSA-N 1 3 318.505 3.991 20 0 DHADHO COc1ccc([C@@H](C)NCC[N@@H+]2CC[C@@H](C)C2)c2ccccc12 ZINC000531984231 334359141 /nfs/dbraw/zinc/35/91/41/334359141.db2.gz PIPHDVCYUGROGZ-HZPDHXFCSA-N 1 3 312.457 3.841 20 0 DHADHO COc1ccc([C@@H](C)NCC[N@H+]2CC[C@@H](C)C2)c2ccccc12 ZINC000531984231 334359143 /nfs/dbraw/zinc/35/91/43/334359143.db2.gz PIPHDVCYUGROGZ-HZPDHXFCSA-N 1 3 312.457 3.841 20 0 DHADHO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000341280517 334428441 /nfs/dbraw/zinc/42/84/41/334428441.db2.gz VKKBALIDOXMMJX-WMZOPIPTSA-N 1 3 316.489 3.828 20 0 DHADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2NCC1=CC[N@H+](C)CC1 ZINC000344300306 335238513 /nfs/dbraw/zinc/23/85/13/335238513.db2.gz ULNGQKRXUBACFT-KRWDZBQOSA-N 1 3 320.864 3.714 20 0 DHADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2NCC1=CC[N@@H+](C)CC1 ZINC000344300306 335238514 /nfs/dbraw/zinc/23/85/14/335238514.db2.gz ULNGQKRXUBACFT-KRWDZBQOSA-N 1 3 320.864 3.714 20 0 DHADHO C([C@@H]1CCC2(CCCCC2)O1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000190937554 335295073 /nfs/dbraw/zinc/29/50/73/335295073.db2.gz OSVDUABBXPQYBO-IBGZPJMESA-N 1 3 320.521 3.676 20 0 DHADHO CCN(Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345195085 335306659 /nfs/dbraw/zinc/30/66/59/335306659.db2.gz YWTBVNRAHSQKCX-OAHLLOKOSA-N 1 3 300.368 3.669 20 0 DHADHO C[C@H]([NH2+]CCC1(F)CCC1)c1cccc(OCCN(C)C)c1 ZINC000348395678 335583611 /nfs/dbraw/zinc/58/36/11/335583611.db2.gz JLJKAYHGYWAUBD-HNNXBMFYSA-N 1 3 308.441 3.560 20 0 DHADHO C[NH+]1CCC(CCNCc2cscc2C(F)(F)F)CC1 ZINC000352837832 336273172 /nfs/dbraw/zinc/27/31/72/336273172.db2.gz CEABCNRAKTVYEZ-UHFFFAOYSA-N 1 3 306.397 3.588 20 0 DHADHO CCc1cc(N2CCN(c3cc[nH+]cc3)CC2)c2ccccc2n1 ZINC000301810249 336331599 /nfs/dbraw/zinc/33/15/99/336331599.db2.gz XQEBUSMOYDCDLT-UHFFFAOYSA-N 1 3 318.424 3.519 20 0 DHADHO Cc1ccc2nccc(N3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000302107348 336348893 /nfs/dbraw/zinc/34/88/93/336348893.db2.gz AGFJGFPGMCGNOZ-UHFFFAOYSA-N 1 3 309.457 3.855 20 0 DHADHO CC[NH+](CC)CCCN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000514115546 336367257 /nfs/dbraw/zinc/36/72/57/336367257.db2.gz TYTAQCBPIFUUEH-UHFFFAOYSA-N 1 3 323.569 3.551 20 0 DHADHO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000352964488 336379805 /nfs/dbraw/zinc/37/98/05/336379805.db2.gz BODXMDJPCJYMJX-CMKODMSKSA-N 1 3 323.484 3.951 20 0 DHADHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000353596085 336427542 /nfs/dbraw/zinc/42/75/42/336427542.db2.gz PONPZJSWXZCVOO-KPPDAEKUSA-N 1 3 321.412 3.685 20 0 DHADHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1nc2c(s1)CCCC2 ZINC000353618579 336429192 /nfs/dbraw/zinc/42/91/92/336429192.db2.gz GTFWIDHDEPBKDF-IYXRBSQSSA-N 1 3 307.507 3.545 20 0 DHADHO CSC1(C[NH2+]CC2CCN(Cc3cccs3)CC2)CCC1 ZINC000368214061 336840364 /nfs/dbraw/zinc/84/03/64/336840364.db2.gz DMIBXQUKWPAIKR-UHFFFAOYSA-N 1 3 324.559 3.835 20 0 DHADHO C(CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)CC1CCOCC1 ZINC000375598667 337014257 /nfs/dbraw/zinc/01/42/57/337014257.db2.gz QLQYCQHMCQHKGP-AZUAARDMSA-N 1 3 320.521 3.532 20 0 DHADHO C(CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)CC1CCOCC1 ZINC000375598667 337014258 /nfs/dbraw/zinc/01/42/58/337014258.db2.gz QLQYCQHMCQHKGP-AZUAARDMSA-N 1 3 320.521 3.532 20 0 DHADHO C[C@H](Cc1ccc(Cl)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000376032019 337025700 /nfs/dbraw/zinc/02/57/00/337025700.db2.gz YCLWKEAFZGBNPV-RWBZWWBESA-N 1 3 306.881 3.878 20 0 DHADHO COC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCCC1 ZINC000377391065 337051732 /nfs/dbraw/zinc/05/17/32/337051732.db2.gz LJPRMYQEZZNQMI-IBGZPJMESA-N 1 3 308.510 3.578 20 0 DHADHO COC[C@H](NC1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC000377391065 337051733 /nfs/dbraw/zinc/05/17/33/337051733.db2.gz LJPRMYQEZZNQMI-IBGZPJMESA-N 1 3 308.510 3.578 20 0 DHADHO CN(Cc1ccc(Cl)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377706266 337059251 /nfs/dbraw/zinc/05/92/51/337059251.db2.gz UYQFEVYRTVGDOO-UHFFFAOYSA-N 1 3 321.877 3.897 20 0 DHADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000377797141 337061472 /nfs/dbraw/zinc/06/14/72/337061472.db2.gz YRSZEUJYLPMOBH-MOPGFXCFSA-N 1 3 316.489 3.759 20 0 DHADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834086 337062046 /nfs/dbraw/zinc/06/20/46/337062046.db2.gz IYJDYHXVXBAHOO-SFTDATJTSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834086 337062047 /nfs/dbraw/zinc/06/20/47/337062047.db2.gz IYJDYHXVXBAHOO-SFTDATJTSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834086 337062048 /nfs/dbraw/zinc/06/20/48/337062048.db2.gz IYJDYHXVXBAHOO-SFTDATJTSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834086 337062049 /nfs/dbraw/zinc/06/20/49/337062049.db2.gz IYJDYHXVXBAHOO-SFTDATJTSA-N 1 3 321.468 3.665 20 0 DHADHO C[NH+]1CCC([C@@H]2CCN(Cc3cnc(C(C)(C)C)s3)C2)CC1 ZINC000377890459 337063567 /nfs/dbraw/zinc/06/35/67/337063567.db2.gz VJSWISJVXNWFRM-OAHLLOKOSA-N 1 3 321.534 3.604 20 0 DHADHO C[C@H]1C[C@@H]1c1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000582472034 337095361 /nfs/dbraw/zinc/09/53/61/337095361.db2.gz XUXITXSXNFJOAP-KSSFIOAISA-N 1 3 311.429 3.557 20 0 DHADHO C[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)c1ccoc1 ZINC000178222504 337161512 /nfs/dbraw/zinc/16/15/12/337161512.db2.gz QPNBIWGQAFPSJS-CQSZACIVSA-N 1 3 304.459 3.904 20 0 DHADHO CCC[C@H](NC1CC[NH+](C(C)C)CC1)c1ccc(OC)cc1 ZINC000180404616 337174149 /nfs/dbraw/zinc/17/41/49/337174149.db2.gz QYWRSWIVKDZKBD-IBGZPJMESA-N 1 3 304.478 3.999 20 0 DHADHO Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCN(C(C)C)CC1)CCCO2 ZINC000180404365 337174196 /nfs/dbraw/zinc/17/41/96/337174196.db2.gz GGXLSKYEUJNQOA-LJQANCHMSA-N 1 3 316.489 3.980 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(-c2ccncc2)cc1 ZINC000180935056 337178671 /nfs/dbraw/zinc/17/86/71/337178671.db2.gz OJZVFAUZVPLRGG-OXJNMPFZSA-N 1 3 309.457 3.884 20 0 DHADHO CC[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1nccn1C ZINC000183383332 337191634 /nfs/dbraw/zinc/19/16/34/337191634.db2.gz PSTADNTXGJCFEU-ABHNRTSZSA-N 1 3 318.509 3.504 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2[C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000582932602 337215796 /nfs/dbraw/zinc/21/57/96/337215796.db2.gz KODCJMLLUGYMEY-CWJKEVGVSA-N 1 3 312.501 3.913 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2[C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000582932602 337215797 /nfs/dbraw/zinc/21/57/97/337215797.db2.gz KODCJMLLUGYMEY-CWJKEVGVSA-N 1 3 312.501 3.913 20 0 DHADHO Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398144233 337307169 /nfs/dbraw/zinc/30/71/69/337307169.db2.gz NIWLZNYMUCHYSW-RXVVDRJESA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398144233 337307170 /nfs/dbraw/zinc/30/71/70/337307170.db2.gz NIWLZNYMUCHYSW-RXVVDRJESA-N 1 3 308.469 3.995 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000422729267 337684291 /nfs/dbraw/zinc/68/42/91/337684291.db2.gz KGMWGCNQGABICU-FDZBUTDGSA-N 1 3 303.494 3.960 20 0 DHADHO CCOc1ccc([C@H](N[C@H](C)C[C@@H](C)[NH3+])C(C)C)cc1OCC ZINC000422799689 337687115 /nfs/dbraw/zinc/68/71/15/337687115.db2.gz YAPWIJVIHNGSRV-SPYBWZPUSA-N 1 3 322.493 3.897 20 0 DHADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422875391 337689539 /nfs/dbraw/zinc/68/95/39/337689539.db2.gz CGRBFLBCECVFQC-QAPCUYQASA-N 1 3 304.453 3.615 20 0 DHADHO Fc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)cc1 ZINC000422885675 337690000 /nfs/dbraw/zinc/69/00/00/337690000.db2.gz ZCUVTIUFSWLWBR-JWTNVVGKSA-N 1 3 302.437 3.510 20 0 DHADHO [NH3+]CC1CCC(N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000422924957 337691732 /nfs/dbraw/zinc/69/17/32/337691732.db2.gz ZLTOFRNXJJEYPN-ZPPKWKGLSA-N 1 3 315.244 3.534 20 0 DHADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000422988352 337693785 /nfs/dbraw/zinc/69/37/85/337693785.db2.gz IUNJSKPLKUKOBV-BJJXKVORSA-N 1 3 312.404 3.717 20 0 DHADHO Clc1ccccc1OCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422997413 337694148 /nfs/dbraw/zinc/69/41/48/337694148.db2.gz AXYYEHSPBLVOIJ-DJIMGWMZSA-N 1 3 322.880 3.619 20 0 DHADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422949566 337694498 /nfs/dbraw/zinc/69/44/98/337694498.db2.gz UICNOZPGSDDEMI-POHMFUSSSA-N 1 3 320.480 3.999 20 0 DHADHO FC(F)(F)c1cccc([C@@H](N[C@@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000423011742 337695515 /nfs/dbraw/zinc/69/55/15/337695515.db2.gz BMFXCTQCYAMHSW-CVEARBPZSA-N 1 3 312.379 3.888 20 0 DHADHO Clc1ccccc1C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423033739 337696491 /nfs/dbraw/zinc/69/64/91/337696491.db2.gz ZVZHUANYAZULRC-BMGDILEWSA-N 1 3 318.892 3.882 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423057624 337697546 /nfs/dbraw/zinc/69/75/46/337697546.db2.gz HNVSNTQXVGIHJJ-IOASZLSFSA-N 1 3 314.395 3.787 20 0 DHADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423122260 337700409 /nfs/dbraw/zinc/70/04/09/337700409.db2.gz BZFXNFAZEOEAGK-RXABAKJHSA-N 1 3 302.437 3.582 20 0 DHADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000423120974 337700496 /nfs/dbraw/zinc/70/04/96/337700496.db2.gz AEKPYNATMSXKQU-ONSCTEFMSA-N 1 3 316.464 3.972 20 0 DHADHO COc1ccc([C@@H](Cc2ccccc2)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000423128677 337700766 /nfs/dbraw/zinc/70/07/66/337700766.db2.gz WENPWUARWOXWDO-PZJWPPBQSA-N 1 3 324.468 3.711 20 0 DHADHO C[C@@H](CCCC[NH3+])NCc1cc(F)c(C(F)(F)F)cc1F ZINC000423137209 337701249 /nfs/dbraw/zinc/70/12/49/337701249.db2.gz ZXKYWRHDOPTRCU-VIFPVBQESA-N 1 3 310.310 3.591 20 0 DHADHO Cc1cccnc1C(C)(C)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423138395 337701305 /nfs/dbraw/zinc/70/13/05/337701305.db2.gz JEZOFXVFIHRATH-OKZBNKHCSA-N 1 3 315.505 3.568 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423204398 337703915 /nfs/dbraw/zinc/70/39/15/337703915.db2.gz AMXFHEIFAKFIEO-PDWCTOEPSA-N 1 3 312.910 3.871 20 0 DHADHO COc1ccc2cc([C@H](C)N[C@@H](C)[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000423212377 337704432 /nfs/dbraw/zinc/70/44/32/337704432.db2.gz IJAMLWVLNBUNRT-YZVOILCLSA-N 1 3 312.457 3.887 20 0 DHADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCC[C@H](C)[NH3+] ZINC000423224154 337705624 /nfs/dbraw/zinc/70/56/24/337705624.db2.gz IJPMNCSKMFWKRT-WDEREUQCSA-N 1 3 307.438 3.646 20 0 DHADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423256043 337707678 /nfs/dbraw/zinc/70/76/78/337707678.db2.gz DGFUTHZCHKHOPH-HUUCEWRRSA-N 1 3 315.486 3.850 20 0 DHADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CSCCc3ccccc32)cc1 ZINC000423295863 337710726 /nfs/dbraw/zinc/71/07/26/337710726.db2.gz XOWXPKSIOIICQI-IFXJQAMLSA-N 1 3 312.482 3.827 20 0 DHADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423297819 337710849 /nfs/dbraw/zinc/71/08/49/337710849.db2.gz LZXMSDWGGDGBGP-CABCVRRESA-N 1 3 316.420 3.650 20 0 DHADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000423327717 337712154 /nfs/dbraw/zinc/71/21/54/337712154.db2.gz LSDNMFPXCAGLCS-AWEZNQCLSA-N 1 3 315.486 3.850 20 0 DHADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccccc1OCc1ccccc1 ZINC000423328291 337712194 /nfs/dbraw/zinc/71/21/94/337712194.db2.gz APLRVDDZLNUPOZ-KRWDZBQOSA-N 1 3 322.452 3.836 20 0 DHADHO Clc1ccc([C@@H](NCC2=CC[NH2+]CC2)C2CC2)cc1Cl ZINC000423330225 337712302 /nfs/dbraw/zinc/71/23/02/337712302.db2.gz BPLSHZUODIMRJC-INIZCTEOSA-N 1 3 311.256 3.954 20 0 DHADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423362422 337714550 /nfs/dbraw/zinc/71/45/50/337714550.db2.gz HSOOMJZCGBUMGO-KCXAZCMYSA-N 1 3 314.395 3.886 20 0 DHADHO CCCOc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423365197 337714691 /nfs/dbraw/zinc/71/46/91/337714691.db2.gz WGHRAHCYVNIAKC-HNNXBMFYSA-N 1 3 310.441 3.929 20 0 DHADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1nccc2ccccc21 ZINC000423366026 337714856 /nfs/dbraw/zinc/71/48/56/337714856.db2.gz BLCOEAABPBKPIN-CQSZACIVSA-N 1 3 303.409 3.689 20 0 DHADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)c2cccc(Br)c21 ZINC000423407302 337716087 /nfs/dbraw/zinc/71/60/87/337716087.db2.gz ZTNMGWTURHDFSB-FJJYHAOUSA-N 1 3 323.278 3.857 20 0 DHADHO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423386667 337717999 /nfs/dbraw/zinc/71/79/99/337717999.db2.gz MHRUPGDNYNDIEQ-PMACEKPBSA-N 1 3 310.416 3.855 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000425923945 338019019 /nfs/dbraw/zinc/01/90/19/338019019.db2.gz MFFWCFVYWMQJIU-CJNGLKHVSA-N 1 3 300.437 3.664 20 0 DHADHO CC[NH+](CC)CCCC1CCN([C@H](C)c2cnc(C)cn2)CC1 ZINC000428365725 338048959 /nfs/dbraw/zinc/04/89/59/338048959.db2.gz VMVHZAQBXDBZQZ-QGZVFWFLSA-N 1 3 318.509 3.680 20 0 DHADHO C[N@@H+]1CC[C@]2(CCN(CCCSc3ccccc3Cl)C2)C1 ZINC000428994440 338068228 /nfs/dbraw/zinc/06/82/28/338068228.db2.gz FSIHQPWESNWMMR-KRWDZBQOSA-N 1 3 324.921 3.850 20 0 DHADHO C[N@H+]1CC[C@]2(CCN(CCCSc3ccccc3Cl)C2)C1 ZINC000428994440 338068229 /nfs/dbraw/zinc/06/82/29/338068229.db2.gz FSIHQPWESNWMMR-KRWDZBQOSA-N 1 3 324.921 3.850 20 0 DHADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429143683 338071850 /nfs/dbraw/zinc/07/18/50/338071850.db2.gz RMWQERNZVXDCTI-WBVHZDCISA-N 1 3 324.921 3.991 20 0 DHADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429143683 338071851 /nfs/dbraw/zinc/07/18/51/338071851.db2.gz RMWQERNZVXDCTI-WBVHZDCISA-N 1 3 324.921 3.991 20 0 DHADHO CCC(CC)(CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)OC ZINC000430143703 338098928 /nfs/dbraw/zinc/09/89/28/338098928.db2.gz XTVAMOXAYWGCDZ-FUHWJXTLSA-N 1 3 310.526 3.824 20 0 DHADHO CCC(CC)(C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)OC ZINC000430143703 338098929 /nfs/dbraw/zinc/09/89/29/338098929.db2.gz XTVAMOXAYWGCDZ-FUHWJXTLSA-N 1 3 310.526 3.824 20 0 DHADHO C[C@@](C[NH3+])(NCCOC(c1ccccc1)c1ccccc1)C1CC1 ZINC000430544976 338108388 /nfs/dbraw/zinc/10/83/88/338108388.db2.gz AROPFDMQQGHDCG-NRFANRHFSA-N 1 3 324.468 3.510 20 0 DHADHO CC(C)(C[NH2+]CCSCc1ccccc1)CN1CCCC1 ZINC000430753089 338113738 /nfs/dbraw/zinc/11/37/38/338113738.db2.gz GPQQVNGTQOWZTK-UHFFFAOYSA-N 1 3 306.519 3.631 20 0 DHADHO CC(C)(CNCCSCc1ccccc1)C[NH+]1CCCC1 ZINC000430753089 338113739 /nfs/dbraw/zinc/11/37/39/338113739.db2.gz GPQQVNGTQOWZTK-UHFFFAOYSA-N 1 3 306.519 3.631 20 0 DHADHO C[C@@H]([NH3+])C1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000430922665 338118863 /nfs/dbraw/zinc/11/88/63/338118863.db2.gz BUYQYMGDKNQJDX-GFCCVEGCSA-N 1 3 319.836 3.554 20 0 DHADHO Cc1cccc2c1[C@H](C)C[C@H]2NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432413443 338155566 /nfs/dbraw/zinc/15/55/66/338155566.db2.gz MOEYIJGXGUIWCC-ZIFCJYIRSA-N 1 3 316.489 3.634 20 0 DHADHO Cc1cccc2c1[C@H](C)C[C@H]2NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432413443 338155567 /nfs/dbraw/zinc/15/55/67/338155567.db2.gz MOEYIJGXGUIWCC-ZIFCJYIRSA-N 1 3 316.489 3.634 20 0 DHADHO Cc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)cc1C ZINC000433078402 338180670 /nfs/dbraw/zinc/18/06/70/338180670.db2.gz RTPZUEQMAUNTSF-PMACEKPBSA-N 1 3 312.501 3.942 20 0 DHADHO Cc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1C ZINC000433078402 338180671 /nfs/dbraw/zinc/18/06/71/338180671.db2.gz RTPZUEQMAUNTSF-PMACEKPBSA-N 1 3 312.501 3.942 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000435375329 338238177 /nfs/dbraw/zinc/23/81/77/338238177.db2.gz LZLCHDKQNWKYMY-YJBOKZPZSA-N 1 3 310.441 3.531 20 0 DHADHO c1ccc(CN(CC2CCCCC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435374418 338238226 /nfs/dbraw/zinc/23/82/26/338238226.db2.gz XFYWEGMZWQORAV-LJQANCHMSA-N 1 3 301.478 3.606 20 0 DHADHO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000438117889 338333122 /nfs/dbraw/zinc/33/31/22/338333122.db2.gz MLDJSXHVJTWEJK-NRSPTQNISA-N 1 3 312.501 3.915 20 0 DHADHO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000438117889 338333123 /nfs/dbraw/zinc/33/31/23/338333123.db2.gz MLDJSXHVJTWEJK-NRSPTQNISA-N 1 3 312.501 3.915 20 0 DHADHO Cc1ccccc1CCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000440323800 338385632 /nfs/dbraw/zinc/38/56/32/338385632.db2.gz IBPVDOKWASLBJW-IBGZPJMESA-N 1 3 300.490 3.591 20 0 DHADHO Cc1ccccc1CCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000440323800 338385633 /nfs/dbraw/zinc/38/56/33/338385633.db2.gz IBPVDOKWASLBJW-IBGZPJMESA-N 1 3 300.490 3.591 20 0 DHADHO Cc1ccccc1CCC[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000440323800 338385634 /nfs/dbraw/zinc/38/56/34/338385634.db2.gz IBPVDOKWASLBJW-IBGZPJMESA-N 1 3 300.490 3.591 20 0 DHADHO Cc1ccccc1CCC[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000440323800 338385635 /nfs/dbraw/zinc/38/56/35/338385635.db2.gz IBPVDOKWASLBJW-IBGZPJMESA-N 1 3 300.490 3.591 20 0 DHADHO C/C=C\C[C@H](CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449250806 338606784 /nfs/dbraw/zinc/60/67/84/338606784.db2.gz PZDSEIKDBDKGCU-ZPUOCTKUSA-N 1 3 310.526 3.582 20 0 DHADHO Fc1cc2c(c(F)c1F)[C@@H](NCC1CC[NH+](C3CC3)CC1)CC2 ZINC000449286079 338609661 /nfs/dbraw/zinc/60/96/61/338609661.db2.gz GSDAWNKLNWIMDG-HNNXBMFYSA-N 1 3 324.390 3.555 20 0 DHADHO CC[C@H](C)[C@H](CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)OC ZINC000449403691 338621361 /nfs/dbraw/zinc/62/13/61/338621361.db2.gz RBLIEONQHRDNGO-CAMMJAKZSA-N 1 3 310.526 3.680 20 0 DHADHO CC[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccncc1 ZINC000453067885 338789762 /nfs/dbraw/zinc/78/97/62/338789762.db2.gz JQIMHBRCDZVPAG-FQEVSTJZSA-N 1 3 309.457 3.918 20 0 DHADHO C[C@@H](NCC1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000455642232 338901742 /nfs/dbraw/zinc/90/17/42/338901742.db2.gz RGHMTIQXGSUNCH-SECBINFHSA-N 1 3 305.224 3.783 20 0 DHADHO Cc1ccc(C(C)(C)C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000459408016 339027568 /nfs/dbraw/zinc/02/75/68/339027568.db2.gz PRXHLJHATKIFMA-UHFFFAOYSA-N 1 3 323.484 3.926 20 0 DHADHO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459466993 339030920 /nfs/dbraw/zinc/03/09/20/339030920.db2.gz QCSNKFDMIDJOHV-IIBYNOLFSA-N 1 3 321.468 3.964 20 0 DHADHO C[C@H]1CCc2ccccc2[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459466995 339030936 /nfs/dbraw/zinc/03/09/36/339030936.db2.gz QCSNKFDMIDJOHV-KKSFZXQISA-N 1 3 321.468 3.964 20 0 DHADHO C[C@]1([NH2+]C2CCN(c3ccncc3)CC2)CCCc2ccccc21 ZINC000459488945 339032341 /nfs/dbraw/zinc/03/23/41/339032341.db2.gz WQIWOUQWDOUQJY-NRFANRHFSA-N 1 3 321.468 3.892 20 0 DHADHO C[C@H](CC1CCCCC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459502425 339032902 /nfs/dbraw/zinc/03/29/02/339032902.db2.gz CVEBYKVYZRLBAM-MRXNPFEDSA-N 1 3 301.478 3.999 20 0 DHADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc2ncsc2c1 ZINC000459505886 339033062 /nfs/dbraw/zinc/03/30/62/339033062.db2.gz TUPLQJNOTPPCGJ-LBPRGKRZSA-N 1 3 301.459 3.574 20 0 DHADHO CCCC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CCC1 ZINC000459550101 339035183 /nfs/dbraw/zinc/03/51/83/339035183.db2.gz HCOLAFLAIXQBLU-LJQANCHMSA-N 1 3 301.478 3.999 20 0 DHADHO CCCC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CCC1 ZINC000459550100 339035214 /nfs/dbraw/zinc/03/52/14/339035214.db2.gz HCOLAFLAIXQBLU-IBGZPJMESA-N 1 3 301.478 3.999 20 0 DHADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000459561111 339035939 /nfs/dbraw/zinc/03/59/39/339035939.db2.gz MHEOVFFWQRZMLM-IKGGRYGDSA-N 1 3 301.478 3.855 20 0 DHADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@H](C)C1 ZINC000459670588 339042069 /nfs/dbraw/zinc/04/20/69/339042069.db2.gz UEVKDHJNDRKVHQ-AVRGHOLYSA-N 1 3 310.844 3.655 20 0 DHADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@H](C)C1 ZINC000459670588 339042070 /nfs/dbraw/zinc/04/20/70/339042070.db2.gz UEVKDHJNDRKVHQ-AVRGHOLYSA-N 1 3 310.844 3.655 20 0 DHADHO Fc1cccc(Cl)c1[C@@H]1C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000459703289 339043612 /nfs/dbraw/zinc/04/36/12/339043612.db2.gz LOLZMWYKELVALM-CZUORRHYSA-N 1 3 308.828 3.551 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463036519 339102338 /nfs/dbraw/zinc/10/23/38/339102338.db2.gz TZQVRHOJNHKYLF-YQQAZPJKSA-N 1 3 304.478 3.997 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463036519 339102339 /nfs/dbraw/zinc/10/23/39/339102339.db2.gz TZQVRHOJNHKYLF-YQQAZPJKSA-N 1 3 304.478 3.997 20 0 DHADHO Cc1cc(Cl)ccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000463738504 339125201 /nfs/dbraw/zinc/12/52/01/339125201.db2.gz WVZQACICMMNAKJ-HZPDHXFCSA-N 1 3 324.896 3.627 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C1 ZINC000467363697 339234148 /nfs/dbraw/zinc/23/41/48/339234148.db2.gz DLIFMDLVKKFQSW-FCGDIQPGSA-N 1 3 315.505 3.879 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)C1 ZINC000467363699 339234199 /nfs/dbraw/zinc/23/41/99/339234199.db2.gz DLIFMDLVKKFQSW-XWSJACJDSA-N 1 3 315.505 3.879 20 0 DHADHO C[C@H](CC(F)(F)F)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000468028023 339251612 /nfs/dbraw/zinc/25/16/12/339251612.db2.gz UZTGINNHIBEEGN-CHWSQXEVSA-N 1 3 318.383 3.619 20 0 DHADHO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000469303686 339285616 /nfs/dbraw/zinc/28/56/16/339285616.db2.gz VPUKKUANRISQPR-JENIJYKNSA-N 1 3 318.505 3.992 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccc(OCCN(C)C)cc1 ZINC000469806766 339301401 /nfs/dbraw/zinc/30/14/01/339301401.db2.gz LEWNRQOBUJFWKU-JKSUJKDBSA-N 1 3 304.478 3.856 20 0 DHADHO C[NH2+]CCC1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000469849438 339302619 /nfs/dbraw/zinc/30/26/19/339302619.db2.gz ROPUCOJFKPDVPF-UHFFFAOYSA-N 1 3 316.420 3.907 20 0 DHADHO CCn1c2ccccc2c2cc(C[N@H+](C)C3CCNCC3)ccc21 ZINC000470020067 339308772 /nfs/dbraw/zinc/30/87/72/339308772.db2.gz XCQAKDVSQBMOMZ-UHFFFAOYSA-N 1 3 321.468 3.998 20 0 DHADHO CCn1c2ccccc2c2cc(C[N@@H+](C)C3CCNCC3)ccc21 ZINC000470020067 339308773 /nfs/dbraw/zinc/30/87/73/339308773.db2.gz XCQAKDVSQBMOMZ-UHFFFAOYSA-N 1 3 321.468 3.998 20 0 DHADHO Cc1cccnc1CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472339305 339370101 /nfs/dbraw/zinc/37/01/01/339370101.db2.gz LNXCQGFDPJMCKF-TZIWHRDSSA-N 1 3 323.484 3.562 20 0 DHADHO COc1ccc(C2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000472590467 339374576 /nfs/dbraw/zinc/37/45/76/339374576.db2.gz STUFYXBHHOGEFE-LJQANCHMSA-N 1 3 316.489 3.749 20 0 DHADHO COc1ccc(C2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000472590467 339374577 /nfs/dbraw/zinc/37/45/77/339374577.db2.gz STUFYXBHHOGEFE-LJQANCHMSA-N 1 3 316.489 3.749 20 0 DHADHO CC(C)N(CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C(C)C ZINC000474041435 339398571 /nfs/dbraw/zinc/39/85/71/339398571.db2.gz ZBNVVLAGRFVEIM-GBESFXJTSA-N 1 3 310.526 3.680 20 0 DHADHO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCCN1CCCC1 ZINC000499910358 340047019 /nfs/dbraw/zinc/04/70/19/340047019.db2.gz WKBBOGZJKSVCCD-CQSZACIVSA-N 1 3 312.404 3.767 20 0 DHADHO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CCCN1CCCC1 ZINC000499910358 340047020 /nfs/dbraw/zinc/04/70/20/340047020.db2.gz WKBBOGZJKSVCCD-CQSZACIVSA-N 1 3 312.404 3.767 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000501379152 340079521 /nfs/dbraw/zinc/07/95/21/340079521.db2.gz UYDKORMGRUGEJV-GOSISDBHSA-N 1 3 318.505 3.966 20 0 DHADHO C[N@@H+]1CCC[C@H]1CCN1CCC(Cc2ccc(F)cc2)CC1 ZINC000502714242 340111967 /nfs/dbraw/zinc/11/19/67/340111967.db2.gz CXGRORBVSBUWKG-IBGZPJMESA-N 1 3 304.453 3.565 20 0 DHADHO C[N@H+]1CCC[C@H]1CCN1CCC(Cc2ccc(F)cc2)CC1 ZINC000502714242 340111968 /nfs/dbraw/zinc/11/19/68/340111968.db2.gz CXGRORBVSBUWKG-IBGZPJMESA-N 1 3 304.453 3.565 20 0 DHADHO CCC[N@H+](CC[C@H]1CCCN1C)[C@@H](C)c1ccccc1OC ZINC000502716541 340112109 /nfs/dbraw/zinc/11/21/09/340112109.db2.gz PDEZGNLOAZNTFU-DLBZAZTESA-N 1 3 304.478 3.953 20 0 DHADHO CCC[N@@H+](CC[C@H]1CCCN1C)[C@@H](C)c1ccccc1OC ZINC000502716541 340112110 /nfs/dbraw/zinc/11/21/10/340112110.db2.gz PDEZGNLOAZNTFU-DLBZAZTESA-N 1 3 304.478 3.953 20 0 DHADHO COc1ccc(CN(CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C2CC2)cc1 ZINC000502719485 340112154 /nfs/dbraw/zinc/11/21/54/340112154.db2.gz BWTSYUNOFSPCGF-APWZRJJASA-N 1 3 316.489 3.780 20 0 DHADHO COc1ccc(CN(CC[C@@H]2CCC[N@H+]2C)[C@H](C)C2CC2)cc1 ZINC000502719485 340112155 /nfs/dbraw/zinc/11/21/55/340112155.db2.gz BWTSYUNOFSPCGF-APWZRJJASA-N 1 3 316.489 3.780 20 0 DHADHO Cc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000503561425 340130734 /nfs/dbraw/zinc/13/07/34/340130734.db2.gz CHFNNBBDQMNUDG-IYBDPMFKSA-N 1 3 324.896 3.627 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000506851197 340202748 /nfs/dbraw/zinc/20/27/48/340202748.db2.gz MGOQAICDHLVNGF-UHFFFAOYSA-N 1 3 318.505 3.866 20 0 DHADHO CC(C)CCn1cccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000506911822 340203564 /nfs/dbraw/zinc/20/35/64/340203564.db2.gz RUPMGCSZLRUWIB-UHFFFAOYSA-N 1 3 317.521 3.842 20 0 DHADHO C1=C(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000507462618 340220659 /nfs/dbraw/zinc/22/06/59/340220659.db2.gz PIPZRXQEMMBWFT-PWRODBHTSA-N 1 3 310.485 3.987 20 0 DHADHO CC[C@H](CSC)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000507520026 340224023 /nfs/dbraw/zinc/22/40/23/340224023.db2.gz MMBRNOUGMNTIDD-NCXUSEDFSA-N 1 3 318.530 3.628 20 0 DHADHO Cc1cc(CNCCC[N@@H+](C)Cc2ccccc2)cc(C)c1O ZINC000302795867 340282219 /nfs/dbraw/zinc/28/22/19/340282219.db2.gz GBWDBYSSLXMDIW-UHFFFAOYSA-N 1 3 312.457 3.621 20 0 DHADHO Cc1cc(CNCCC[N@H+](C)Cc2ccccc2)cc(C)c1O ZINC000302795867 340282220 /nfs/dbraw/zinc/28/22/20/340282220.db2.gz GBWDBYSSLXMDIW-UHFFFAOYSA-N 1 3 312.457 3.621 20 0 DHADHO COc1ccc([C@@H](C)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000302832530 340283398 /nfs/dbraw/zinc/28/33/98/340283398.db2.gz IOLZBPAPYOQBAX-QGZVFWFLSA-N 1 3 312.457 3.868 20 0 DHADHO COc1ccc([C@@H](C)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000302832530 340283399 /nfs/dbraw/zinc/28/33/99/340283399.db2.gz IOLZBPAPYOQBAX-QGZVFWFLSA-N 1 3 312.457 3.868 20 0 DHADHO CCCN1CC[C@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000510116326 340289229 /nfs/dbraw/zinc/28/92/29/340289229.db2.gz ACDMQAATMLOCID-QQFBHYJXSA-N 1 3 306.881 3.908 20 0 DHADHO CCC[N@@H+]1CC[C@H](CNC2CC(c3ccccc3Cl)C2)C1 ZINC000510116326 340289230 /nfs/dbraw/zinc/28/92/30/340289230.db2.gz ACDMQAATMLOCID-QQFBHYJXSA-N 1 3 306.881 3.908 20 0 DHADHO CCC[N@H+]1CC[C@H](CNC2CC(c3ccccc3Cl)C2)C1 ZINC000510116326 340289231 /nfs/dbraw/zinc/28/92/31/340289231.db2.gz ACDMQAATMLOCID-QQFBHYJXSA-N 1 3 306.881 3.908 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CNC/C(C)=C/c2ccccc2COC)C1 ZINC000510122343 340289502 /nfs/dbraw/zinc/28/95/02/340289502.db2.gz VQIUBGWCRBXHEI-WQJNHMDYSA-N 1 3 316.489 3.558 20 0 DHADHO CCC[N@H+]1CC[C@@H](CNC/C(C)=C/c2ccccc2COC)C1 ZINC000510122343 340289503 /nfs/dbraw/zinc/28/95/03/340289503.db2.gz VQIUBGWCRBXHEI-WQJNHMDYSA-N 1 3 316.489 3.558 20 0 DHADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000510668408 340305850 /nfs/dbraw/zinc/30/58/50/340305850.db2.gz IWEKTFSGPQDGGW-GIVPXCGWSA-N 1 3 312.501 3.719 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H](CO)CC3CCCC3)CC2)C1 ZINC000511036039 340318960 /nfs/dbraw/zinc/31/89/60/340318960.db2.gz ZOYLUUZXNXQFIV-AHRSYUTCSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H](CO)CC3CCCC3)CC2)C1 ZINC000511036039 340318961 /nfs/dbraw/zinc/31/89/61/340318961.db2.gz ZOYLUUZXNXQFIV-AHRSYUTCSA-N 1 3 322.537 3.560 20 0 DHADHO CCC1(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000512963145 340385723 /nfs/dbraw/zinc/38/57/23/340385723.db2.gz AFZWKIPYFKUOTN-IEBWSBKVSA-N 1 3 322.537 3.826 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCC(F)(F)F)CC2)C1 ZINC000513030738 340389544 /nfs/dbraw/zinc/38/95/44/340389544.db2.gz VCXBZHKZYXNXGX-UKRRQHHQSA-N 1 3 306.416 3.962 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(O)CCCCCC3)CC2)C1 ZINC000513207683 340397182 /nfs/dbraw/zinc/39/71/82/340397182.db2.gz DIOOSQYPZIONTO-MJGOQNOKSA-N 1 3 322.537 3.704 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3(O)CCCCCC3)CC2)C1 ZINC000513207683 340397183 /nfs/dbraw/zinc/39/71/83/340397183.db2.gz DIOOSQYPZIONTO-MJGOQNOKSA-N 1 3 322.537 3.704 20 0 DHADHO Cc1[nH]c2ccccc2c1CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000178484199 340449964 /nfs/dbraw/zinc/44/99/64/340449964.db2.gz ULCHZHJJOZOEJE-UHFFFAOYSA-N 1 3 313.489 3.871 20 0 DHADHO c1csc(CN2CCC(C[NH2+][C@@H]3CCCC34CC4)CC2)c1 ZINC000517247067 340466633 /nfs/dbraw/zinc/46/66/33/340466633.db2.gz NXHJOSTYMLECQP-QGZVFWFLSA-N 1 3 304.503 3.882 20 0 DHADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCSCC1 ZINC000187274596 340518824 /nfs/dbraw/zinc/51/88/24/340518824.db2.gz SUJWMIWFNKCYNV-OAHLLOKOSA-N 1 3 310.551 3.905 20 0 DHADHO C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)COC1CCCCC1 ZINC000316351963 340681000 /nfs/dbraw/zinc/68/10/00/340681000.db2.gz JFUGUCQCXQWCSB-IPMKNSEASA-N 1 3 308.510 3.626 20 0 DHADHO C[C@@H](NCCO[C@H]1CCCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529039 341012275 /nfs/dbraw/zinc/01/22/75/341012275.db2.gz KUDHFVVVKKGTLT-XSYGEPLQSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H](NCCO[C@H]1CCCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529039 341012276 /nfs/dbraw/zinc/01/22/76/341012276.db2.gz KUDHFVVVKKGTLT-XSYGEPLQSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)[C@H]1CCCN(C2CCC2)C1 ZINC000542529039 341012277 /nfs/dbraw/zinc/01/22/77/341012277.db2.gz KUDHFVVVKKGTLT-XSYGEPLQSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H]([NH2+]CCCCC(F)(F)F)[C@H]1CCCN(C2CCC2)C1 ZINC000542533366 341012493 /nfs/dbraw/zinc/01/24/93/341012493.db2.gz UXTWCWIUBUJKSI-KBPBESRZSA-N 1 3 306.416 3.962 20 0 DHADHO CCCC[N@H+](C)CC1CCN(CCc2cccc(F)c2F)CC1 ZINC000543139505 341033908 /nfs/dbraw/zinc/03/39/08/341033908.db2.gz FSTTUIBIXPYHBM-UHFFFAOYSA-N 1 3 324.459 3.951 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(CCc2cccc(F)c2F)CC1 ZINC000543139505 341033909 /nfs/dbraw/zinc/03/39/09/341033909.db2.gz FSTTUIBIXPYHBM-UHFFFAOYSA-N 1 3 324.459 3.951 20 0 DHADHO CCSCCNCc1ccccc1C[NH+]1CCCCCC1 ZINC000544080726 341069606 /nfs/dbraw/zinc/06/96/06/341069606.db2.gz APLTVJVNKCRLGX-UHFFFAOYSA-N 1 3 306.519 3.905 20 0 DHADHO COc1cccc([C@@H]2C[C@H](C)CN2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000544115935 341070820 /nfs/dbraw/zinc/07/08/20/341070820.db2.gz COHCSDSDRGUNII-IEZWGBDMSA-N 1 3 302.462 3.562 20 0 DHADHO COc1cccc([C@@H]2C[C@H](C)CN2CC[C@@H]2CCC[N@H+]2C)c1 ZINC000544115935 341070821 /nfs/dbraw/zinc/07/08/21/341070821.db2.gz COHCSDSDRGUNII-IEZWGBDMSA-N 1 3 302.462 3.562 20 0 DHADHO COc1cc([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)ccc1F ZINC000544896363 341098051 /nfs/dbraw/zinc/09/80/51/341098051.db2.gz CBTCYPITIKWHHK-AWEZNQCLSA-N 1 3 308.441 3.607 20 0 DHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCCN(C)C(C)C)cc1 ZINC000551537940 341344804 /nfs/dbraw/zinc/34/48/04/341344804.db2.gz WFTWIACSZKFBLE-KFKAGJAMSA-N 1 3 304.478 3.507 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000551789337 341351771 /nfs/dbraw/zinc/35/17/71/341351771.db2.gz MWMNECSDKUXNBM-RYRKJORJSA-N 1 3 304.478 3.999 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000551789337 341351772 /nfs/dbraw/zinc/35/17/72/341351772.db2.gz MWMNECSDKUXNBM-RYRKJORJSA-N 1 3 304.478 3.999 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000246871430 341358157 /nfs/dbraw/zinc/35/81/57/341358157.db2.gz DLIKDMXUKJKEJP-SJORKVTESA-N 1 3 304.478 3.856 20 0 DHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)[C@H](C)c1ccccc1 ZINC000247162660 341361691 /nfs/dbraw/zinc/36/16/91/341361691.db2.gz XYUJTMLIMOCCFX-AKHDSKFASA-N 1 3 318.505 3.658 20 0 DHADHO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000552063655 341366524 /nfs/dbraw/zinc/36/65/24/341366524.db2.gz HIJHRDDQSYFQNM-UXHICEINSA-N 1 3 316.489 3.684 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccccc2C)[C@H](C)C1 ZINC000247881023 341370946 /nfs/dbraw/zinc/37/09/46/341370946.db2.gz BQOPWQRWQUTKCO-GGPKGHCWSA-N 1 3 318.505 3.783 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccccc2C)[C@H](C)C1 ZINC000247881023 341370947 /nfs/dbraw/zinc/37/09/47/341370947.db2.gz BQOPWQRWQUTKCO-GGPKGHCWSA-N 1 3 318.505 3.783 20 0 DHADHO COc1ccc2cc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)ccc2c1 ZINC000247946281 341371455 /nfs/dbraw/zinc/37/14/55/341371455.db2.gz HNORRZPQBJNONJ-BXTJHSDWSA-N 1 3 312.457 3.667 20 0 DHADHO COc1ccc2cc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)ccc2c1 ZINC000247946281 341371456 /nfs/dbraw/zinc/37/14/56/341371456.db2.gz HNORRZPQBJNONJ-BXTJHSDWSA-N 1 3 312.457 3.667 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)cc1 ZINC000554050299 341441783 /nfs/dbraw/zinc/44/17/83/341441783.db2.gz IGMVAXDVNNRVNA-MSOLQXFVSA-N 1 3 304.478 3.541 20 0 DHADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cc2c(s1)CCCC2 ZINC000575060338 341774382 /nfs/dbraw/zinc/77/43/82/341774382.db2.gz JXYXOAUEMHEMRE-CYBMUJFWSA-N 1 3 300.471 3.936 20 0 DHADHO CCc1noc(C)c1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121669453 517873158 /nfs/dbraw/zinc/87/31/58/517873158.db2.gz KFRAPSLVZALPRD-UHFFFAOYSA-N 1 3 319.493 3.633 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000365074369 519722513 /nfs/dbraw/zinc/72/25/13/519722513.db2.gz VYKBLOGTQSKZTO-UAFMIMERSA-N 1 3 322.537 3.539 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccccc1OC(F)F ZINC000163283701 522631922 /nfs/dbraw/zinc/63/19/22/522631922.db2.gz MLPUSLKQSBSIAD-HIFRSBDPSA-N 1 3 312.404 3.671 20 0 DHADHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293491 522633068 /nfs/dbraw/zinc/63/30/68/522633068.db2.gz ZDAHZBGNAUKGEW-CJNGLKHVSA-N 1 3 312.404 3.671 20 0 DHADHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293491 522633074 /nfs/dbraw/zinc/63/30/74/522633074.db2.gz ZDAHZBGNAUKGEW-CJNGLKHVSA-N 1 3 312.404 3.671 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(OC(F)F)cc1 ZINC000163293491 522633079 /nfs/dbraw/zinc/63/30/79/522633079.db2.gz ZDAHZBGNAUKGEW-CJNGLKHVSA-N 1 3 312.404 3.671 20 0 DHADHO C[N@@H+]1CCC[C@@]2(CCN([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000339438522 523836818 /nfs/dbraw/zinc/83/68/18/523836818.db2.gz OXTJMUHVTHCTPL-RBUKOAKNSA-N 1 3 302.437 3.621 20 0 DHADHO C[N@H+]1CCC[C@@]2(CCN([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000339438522 523836821 /nfs/dbraw/zinc/83/68/21/523836821.db2.gz OXTJMUHVTHCTPL-RBUKOAKNSA-N 1 3 302.437 3.621 20 0 DHADHO C[C@H](CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)N1CCCCC1 ZINC000337270812 524198389 /nfs/dbraw/zinc/19/83/89/524198389.db2.gz ZZAYZURQXVBZRN-HBFSDRIKSA-N 1 3 315.505 3.962 20 0 DHADHO COc1ccc(F)c(CNCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000339185176 524275745 /nfs/dbraw/zinc/27/57/45/524275745.db2.gz VVCVRGSOLCRRRW-OAHLLOKOSA-N 1 3 308.441 3.579 20 0 DHADHO COc1ccc(F)c(CNCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000339185176 524275754 /nfs/dbraw/zinc/27/57/54/524275754.db2.gz VVCVRGSOLCRRRW-OAHLLOKOSA-N 1 3 308.441 3.579 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)CN1CCCCC1 ZINC000337330097 524502217 /nfs/dbraw/zinc/50/22/17/524502217.db2.gz GEPWHLPBAKLLNU-HBFSDRIKSA-N 1 3 315.505 3.819 20 0 DHADHO C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000366430569 525288807 /nfs/dbraw/zinc/28/88/07/525288807.db2.gz IUTUEIKRWLUBNX-VQSBYGRUSA-N 1 3 324.472 3.540 20 0 DHADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000156774819 525415807 /nfs/dbraw/zinc/41/58/07/525415807.db2.gz FEEQLFLHQVAZBJ-JKSUJKDBSA-N 1 3 316.489 3.999 20 0 DHADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000156774819 525415817 /nfs/dbraw/zinc/41/58/17/525415817.db2.gz FEEQLFLHQVAZBJ-JKSUJKDBSA-N 1 3 316.489 3.999 20 0 DHADHO C[C@H](NCc1cccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000156500472 525468449 /nfs/dbraw/zinc/46/84/49/525468449.db2.gz JHTHLIOCLZIWEB-AWEZNQCLSA-N 1 3 304.459 3.539 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000129488538 525616494 /nfs/dbraw/zinc/61/64/94/525616494.db2.gz GYHVHUZPSYXEEJ-HUBLWGQQSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000129488538 525616500 /nfs/dbraw/zinc/61/65/00/525616500.db2.gz GYHVHUZPSYXEEJ-HUBLWGQQSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@H](c1cccc(Br)c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226325308 526072224 /nfs/dbraw/zinc/07/22/24/526072224.db2.gz YTJFZQUQWXIAOQ-OLZOCXBDSA-N 1 3 311.267 3.571 20 0 DHADHO CSc1ccccc1C[C@@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000366283600 526163680 /nfs/dbraw/zinc/16/36/80/526163680.db2.gz NJDHYDXMTONTGH-FAEJEUNOSA-N 1 3 318.530 3.946 20 0 DHADHO Cc1cccc(CCN(C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000517736499 1013053032 /nfs/dbraw/zinc/05/30/32/1013053032.db2.gz TUECQJPSZBZPSJ-UHFFFAOYSA-N 1 3 323.484 3.529 20 0 DHADHO Cc1c(Cl)c(CN2CCC[C@@H](CC[NH3+])C2)nc2ccccc12 ZINC000261975888 1013191645 /nfs/dbraw/zinc/19/16/45/1013191645.db2.gz QTEDOWSUVHKORM-AWEZNQCLSA-N 1 3 317.864 3.757 20 0 DHADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000037898556 1013249633 /nfs/dbraw/zinc/24/96/33/1013249633.db2.gz JEWXMMLWAALNHK-LBPRGKRZSA-N 1 3 300.368 3.840 20 0 DHADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccnc1Cl ZINC000247228424 1013626022 /nfs/dbraw/zinc/62/60/22/1013626022.db2.gz YCYHUUVNJLQDST-HUUCEWRRSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccnc1Cl ZINC000247228424 1013626026 /nfs/dbraw/zinc/62/60/26/1013626026.db2.gz YCYHUUVNJLQDST-HUUCEWRRSA-N 1 3 309.885 3.898 20 0 DHADHO [NH3+]CCCN(Cc1ccccc1)Cc1cccc2ncccc12 ZINC000634688146 1013704666 /nfs/dbraw/zinc/70/46/66/1013704666.db2.gz JEAKBDGURKXUPU-UHFFFAOYSA-N 1 3 305.425 3.586 20 0 DHADHO CC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000655847824 1013773414 /nfs/dbraw/zinc/77/34/14/1013773414.db2.gz DESIXWQGWMMVKS-RTBURBONSA-N 1 3 308.510 3.721 20 0 DHADHO CC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000655847824 1013773421 /nfs/dbraw/zinc/77/34/21/1013773421.db2.gz DESIXWQGWMMVKS-RTBURBONSA-N 1 3 308.510 3.721 20 0 DHADHO CC(C)[N@H+](C)CC1CCN(Cc2scnc2C2CC2)CC1 ZINC000683827430 1014048156 /nfs/dbraw/zinc/04/81/56/1014048156.db2.gz WPWPDJKHHYERIN-UHFFFAOYSA-N 1 3 307.507 3.573 20 0 DHADHO CC(C)[N@@H+](C)CC1CCN(Cc2scnc2C2CC2)CC1 ZINC000683827430 1014048161 /nfs/dbraw/zinc/04/81/61/1014048161.db2.gz WPWPDJKHHYERIN-UHFFFAOYSA-N 1 3 307.507 3.573 20 0 DHADHO CC[C@H](N[C@H](C)CC[NH+](C)C)c1cccc(Br)c1 ZINC000049554190 1025715966 /nfs/dbraw/zinc/71/59/66/1025715966.db2.gz WBLKIUHYGOSWPT-DOMZBBRYSA-N 1 3 313.283 3.830 20 0 DHADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000125452477 1014115766 /nfs/dbraw/zinc/11/57/66/1014115766.db2.gz DMVWXYMWPAJVQZ-CQSZACIVSA-N 1 3 318.461 3.938 20 0 DHADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000125452477 1014115769 /nfs/dbraw/zinc/11/57/69/1014115769.db2.gz DMVWXYMWPAJVQZ-CQSZACIVSA-N 1 3 318.461 3.938 20 0 DHADHO Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000665235740 1014507025 /nfs/dbraw/zinc/50/70/25/1014507025.db2.gz ZEJFJATUAIXEGC-KBPBESRZSA-N 1 3 315.436 3.578 20 0 DHADHO C[C@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc2n[nH]cc2c1 ZINC000581125283 1014573818 /nfs/dbraw/zinc/57/38/18/1014573818.db2.gz HGGJDNWAQKAGOI-QMIHWGKISA-N 1 3 320.440 3.707 20 0 DHADHO CCOc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1OCC ZINC000665279373 1014662192 /nfs/dbraw/zinc/66/21/92/1014662192.db2.gz BBVWVTSYWCBUPB-GDBMZVCRSA-N 1 3 308.466 3.508 20 0 DHADHO Cc1cccc2c1CCC[C@H]2[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000665282921 1014678940 /nfs/dbraw/zinc/67/89/40/1014678940.db2.gz DXKPBTPRKSMAMP-MGPUTAFESA-N 1 3 309.457 3.885 20 0 DHADHO CCC[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccsc1 ZINC000443102991 1014813839 /nfs/dbraw/zinc/81/38/39/1014813839.db2.gz JTWGZMHDJMTXST-KRWDZBQOSA-N 1 3 322.518 3.824 20 0 DHADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(Br)s1 ZINC000443318894 1014870630 /nfs/dbraw/zinc/87/06/30/1014870630.db2.gz KKCCPHYMOQXRKW-GHMZBOCLSA-N 1 3 317.296 3.646 20 0 DHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000656683702 1015071845 /nfs/dbraw/zinc/07/18/45/1015071845.db2.gz OUUKXWQTXZXLOZ-QGZVFWFLSA-N 1 3 309.457 3.644 20 0 DHADHO CC(C)CC[NH+]1CCC(N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)CC1 ZINC000895458854 1015164442 /nfs/dbraw/zinc/16/44/42/1015164442.db2.gz IKJGCRVCKBZZBK-HSALFYBXSA-N 1 3 316.464 3.564 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000474604595 1015486582 /nfs/dbraw/zinc/48/65/82/1015486582.db2.gz RBTBCFYQEJANIH-KURKYZTESA-N 1 3 318.505 3.899 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000341695209 1015675050 /nfs/dbraw/zinc/67/50/50/1015675050.db2.gz JZBJATRPXVSYFO-BEFAXECRSA-N 1 3 304.453 3.913 20 0 DHADHO COCCSc1ccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000341752220 1015718030 /nfs/dbraw/zinc/71/80/30/1015718030.db2.gz UVAXPYFVERZPOH-DOTOQJQBSA-N 1 3 322.518 3.560 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1(Cl)CC1 ZINC000925136052 1015731470 /nfs/dbraw/zinc/73/14/70/1015731470.db2.gz MPFZAYAVZXHFSA-GUTXKFCHSA-N 1 3 312.910 3.881 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1(Cl)CC1 ZINC000925136052 1015731474 /nfs/dbraw/zinc/73/14/74/1015731474.db2.gz MPFZAYAVZXHFSA-GUTXKFCHSA-N 1 3 312.910 3.881 20 0 DHADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1ccc([Si](C)(C)C)cc1 ZINC001167510559 1016257234 /nfs/dbraw/zinc/25/72/34/1016257234.db2.gz XJSGSPGZYHCHJW-SFHVURJKSA-N 1 3 318.581 3.538 20 0 DHADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1ccc([Si](C)(C)C)cc1 ZINC001167510559 1016257239 /nfs/dbraw/zinc/25/72/39/1016257239.db2.gz XJSGSPGZYHCHJW-SFHVURJKSA-N 1 3 318.581 3.538 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(F)c(F)c1F ZINC000657311206 1016281294 /nfs/dbraw/zinc/28/12/94/1016281294.db2.gz IDZWGDGGYCVKHP-CYBMUJFWSA-N 1 3 314.395 3.848 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(F)c(F)c1F ZINC000657311206 1016281302 /nfs/dbraw/zinc/28/13/02/1016281302.db2.gz IDZWGDGGYCVKHP-CYBMUJFWSA-N 1 3 314.395 3.848 20 0 DHADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(F)c(F)c2F)C1 ZINC000657311831 1016293823 /nfs/dbraw/zinc/29/38/23/1016293823.db2.gz WMNCIGDSRBDDBF-ZDUSSCGKSA-N 1 3 314.395 3.706 20 0 DHADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(F)c(F)c2F)C1 ZINC000657311831 1016293825 /nfs/dbraw/zinc/29/38/25/1016293825.db2.gz WMNCIGDSRBDDBF-ZDUSSCGKSA-N 1 3 314.395 3.706 20 0 DHADHO C[NH+](C)CCC1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000056524745 1016349994 /nfs/dbraw/zinc/34/99/94/1016349994.db2.gz ZOLGKBVLWAWCHG-UHFFFAOYSA-N 1 3 313.445 3.505 20 0 DHADHO CC1([NH+]2CCC2)CCC([NH2+]Cc2cc([O-])cc(Cl)c2)CC1 ZINC000896952514 1016958363 /nfs/dbraw/zinc/95/83/63/1016958363.db2.gz YHXRFGBXFPKKQW-UHFFFAOYSA-N 1 3 308.853 3.542 20 0 DHADHO COc1ccc([C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000623343266 1016972527 /nfs/dbraw/zinc/97/25/27/1016972527.db2.gz JKWWAYMXXUWMKV-FUHWJXTLSA-N 1 3 304.478 3.855 20 0 DHADHO COc1ccc([C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000623343266 1016972537 /nfs/dbraw/zinc/97/25/37/1016972537.db2.gz JKWWAYMXXUWMKV-FUHWJXTLSA-N 1 3 304.478 3.855 20 0 DHADHO CN1CCC2(CCC[N@@H+]2Cc2csc3ccccc23)CC1 ZINC000475122957 1016984108 /nfs/dbraw/zinc/98/41/08/1016984108.db2.gz VPUVZIBARBWPMK-UHFFFAOYSA-N 1 3 300.471 3.962 20 0 DHADHO CN1CCC2(CCC[N@H+]2Cc2csc3ccccc23)CC1 ZINC000475122957 1016984114 /nfs/dbraw/zinc/98/41/14/1016984114.db2.gz VPUVZIBARBWPMK-UHFFFAOYSA-N 1 3 300.471 3.962 20 0 DHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccncc2Cl)C1 ZINC000623358759 1016986657 /nfs/dbraw/zinc/98/66/57/1016986657.db2.gz QTYVRLMAPQGFGL-GJZGRUSLSA-N 1 3 309.885 3.583 20 0 DHADHO C[C@@H]1C[N@@H+](C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001168057797 1017044962 /nfs/dbraw/zinc/04/49/62/1017044962.db2.gz NTXYTSLHTUMTAA-XLAORIBOSA-N 1 3 316.489 3.537 20 0 DHADHO C[C@@H]1C[N@H+](C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001168057797 1017044981 /nfs/dbraw/zinc/04/49/81/1017044981.db2.gz NTXYTSLHTUMTAA-XLAORIBOSA-N 1 3 316.489 3.537 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@H]2N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623437799 1017057249 /nfs/dbraw/zinc/05/72/49/1017057249.db2.gz ZQVGNHMXGKUIMJ-OTWHNJEPSA-N 1 3 316.489 3.678 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@H]2N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623437799 1017057261 /nfs/dbraw/zinc/05/72/61/1017057261.db2.gz ZQVGNHMXGKUIMJ-OTWHNJEPSA-N 1 3 316.489 3.678 20 0 DHADHO CSc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000294950124 1032223947 /nfs/dbraw/zinc/22/39/47/1032223947.db2.gz HNBNMVSREHQVFC-JZIBPQBNSA-N 1 3 308.466 3.823 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cccn2CCC(C)C)[C@@H](C)C1 ZINC000537635199 1032424058 /nfs/dbraw/zinc/42/40/58/1032424058.db2.gz VZEFPESKIBOPLY-PKOBYXMFSA-N 1 3 305.510 3.696 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cccn2CCC(C)C)[C@@H](C)C1 ZINC000537635199 1032424060 /nfs/dbraw/zinc/42/40/60/1032424060.db2.gz VZEFPESKIBOPLY-PKOBYXMFSA-N 1 3 305.510 3.696 20 0 DHADHO CN1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000121221117 1032429500 /nfs/dbraw/zinc/42/95/00/1032429500.db2.gz WZKKEBXUPZBDPG-UZLBHIALSA-N 1 3 312.432 3.847 20 0 DHADHO c1oc2ccccc2c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066341 1032472866 /nfs/dbraw/zinc/47/28/66/1032472866.db2.gz JNFLFHYSTDLSGK-DNVCBOLYSA-N 1 3 310.441 3.882 20 0 DHADHO c1oc2ccccc2c1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066341 1032472871 /nfs/dbraw/zinc/47/28/71/1032472871.db2.gz JNFLFHYSTDLSGK-DNVCBOLYSA-N 1 3 310.441 3.882 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccn2C)CC1 ZINC000093844602 1032560829 /nfs/dbraw/zinc/56/08/29/1032560829.db2.gz FMWJOJSGQDNTMJ-QGZVFWFLSA-N 1 3 303.494 3.502 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cccn2C)CC1 ZINC000093844602 1032560831 /nfs/dbraw/zinc/56/08/31/1032560831.db2.gz FMWJOJSGQDNTMJ-QGZVFWFLSA-N 1 3 303.494 3.502 20 0 DHADHO CC[C@@H](CN1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000537647427 1032576799 /nfs/dbraw/zinc/57/67/99/1032576799.db2.gz GVPBWULXTDTWBH-MOPGFXCFSA-N 1 3 300.490 3.844 20 0 DHADHO CC[C@@H](CN1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000537647427 1032576805 /nfs/dbraw/zinc/57/68/05/1032576805.db2.gz GVPBWULXTDTWBH-MOPGFXCFSA-N 1 3 300.490 3.844 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171400053 1032585955 /nfs/dbraw/zinc/58/59/55/1032585955.db2.gz CBRTXEZZPPJSHX-RDJZCZTQSA-N 1 3 304.453 3.537 20 0 DHADHO N[C@@H]1CCCC[C@H]1[NH2+]CCSc1cc(Cl)ccc1Cl ZINC000424340577 1012003031 /nfs/dbraw/zinc/00/30/31/1012003031.db2.gz YDDZHPBLVGGJSF-CHWSQXEVSA-N 1 3 319.301 3.945 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccc(F)cc2CSC)[C@@H](C)C1 ZINC000347200570 1017104863 /nfs/dbraw/zinc/10/48/63/1017104863.db2.gz YGDCTWNWNVRMHE-GUYCJALGSA-N 1 3 310.482 3.509 20 0 DHADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1Oc1cccnc1 ZINC000424376720 1012012422 /nfs/dbraw/zinc/01/24/22/1012012422.db2.gz LJTSCEATGIPASU-QZTJIDSGSA-N 1 3 311.429 3.542 20 0 DHADHO CC[C@H]1CN(CCCOc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000647936776 1012033199 /nfs/dbraw/zinc/03/31/99/1012033199.db2.gz LAOLYQLKVFISLJ-JXFKEZNVSA-N 1 3 312.457 3.668 20 0 DHADHO C[C@H]1CC[C@@H](C[NH3+])CN1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761337 1012075509 /nfs/dbraw/zinc/07/55/09/1012075509.db2.gz WYWZTEURHZGIJN-JSGCOSHPSA-N 1 3 315.288 3.985 20 0 DHADHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761337 1012075523 /nfs/dbraw/zinc/07/55/23/1012075523.db2.gz WYWZTEURHZGIJN-JSGCOSHPSA-N 1 3 315.288 3.985 20 0 DHADHO C[C@H]1CC[C@@H](CN)C[N@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761337 1012075540 /nfs/dbraw/zinc/07/55/40/1012075540.db2.gz WYWZTEURHZGIJN-JSGCOSHPSA-N 1 3 315.288 3.985 20 0 DHADHO CC[NH+](CC)CCCN(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000683141845 1012105251 /nfs/dbraw/zinc/10/52/51/1012105251.db2.gz WYIGGUGAKUKADD-UXHICEINSA-N 1 3 318.505 3.818 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643549057 1012120836 /nfs/dbraw/zinc/12/08/36/1012120836.db2.gz ZQHCJAABCXAPLX-CZUORRHYSA-N 1 3 308.416 3.550 20 0 DHADHO CC[NH+](CC)CCOC1CCN([C@H](C)c2ccccc2F)CC1 ZINC000075007707 1012364899 /nfs/dbraw/zinc/36/48/99/1012364899.db2.gz SVXVQBOOBFDDPC-MRXNPFEDSA-N 1 3 322.468 3.710 20 0 DHADHO FCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000516883293 1012855661 /nfs/dbraw/zinc/85/56/61/1012855661.db2.gz UZFUFKQWDMKEBL-GUDVDZBRSA-N 1 3 304.453 3.626 20 0 DHADHO C[C@H](C[NH2+][C@H](C)Cc1c(Cl)cccc1Cl)CN(C)C ZINC000425918657 1012957166 /nfs/dbraw/zinc/95/71/66/1012957166.db2.gz ICNGOSKPRYRFBG-VXGBXAGGSA-N 1 3 303.277 3.712 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000517228198 1012938106 /nfs/dbraw/zinc/93/81/06/1012938106.db2.gz KCZVGMFXJUVXSP-CABCVRRESA-N 1 3 310.432 3.606 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)c2ccccc12 ZINC000425939858 1012982204 /nfs/dbraw/zinc/98/22/04/1012982204.db2.gz FALVZNGQNMMKBZ-CABCVRRESA-N 1 3 300.446 3.697 20 0 DHADHO COc1ccc([C@H](C)NC[C@@H](C)C[NH+](C)C)c2ccccc12 ZINC000425939858 1012982214 /nfs/dbraw/zinc/98/22/14/1012982214.db2.gz FALVZNGQNMMKBZ-CABCVRRESA-N 1 3 300.446 3.697 20 0 DHADHO C[C@@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)CN(C)C ZINC000425942732 1012988045 /nfs/dbraw/zinc/98/80/45/1012988045.db2.gz GLUIXFWFRDFTHP-ZUZCIYMTSA-N 1 3 301.261 3.768 20 0 DHADHO CN1CC[C@@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1(C)C ZINC000623559688 1017109592 /nfs/dbraw/zinc/10/95/92/1017109592.db2.gz JVYDXAIIHLQGSF-GDBMZVCRSA-N 1 3 320.452 3.890 20 0 DHADHO Clc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000716335670 1032696805 /nfs/dbraw/zinc/69/68/05/1032696805.db2.gz RIIBJJWPZUGMHM-ZIAGYGMSSA-N 1 3 313.272 3.752 20 0 DHADHO Clc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000716335670 1032696815 /nfs/dbraw/zinc/69/68/15/1032696815.db2.gz RIIBJJWPZUGMHM-ZIAGYGMSSA-N 1 3 313.272 3.752 20 0 DHADHO C[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716649019 1032700525 /nfs/dbraw/zinc/70/05/25/1032700525.db2.gz HMOMHMDBSITWOK-MDNKFWRPSA-N 1 3 324.468 3.853 20 0 DHADHO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716685983 1032703320 /nfs/dbraw/zinc/70/33/20/1032703320.db2.gz YSIQMEAUYNBDOL-UJCHZGTJSA-N 1 3 316.514 3.523 20 0 DHADHO C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)CC(F)F ZINC000716727111 1032705944 /nfs/dbraw/zinc/70/59/44/1032705944.db2.gz IDLCXPVKRNFXTC-UBDQQSCGSA-N 1 3 322.443 3.920 20 0 DHADHO CC1(C)CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000657611654 1017572046 /nfs/dbraw/zinc/57/20/46/1017572046.db2.gz BGIRWPPPDDVSIN-UHFFFAOYSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@@H]1CCC[C@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613180 1017574386 /nfs/dbraw/zinc/57/43/86/1017574386.db2.gz HOBDPGMNNCZWMA-XLIONFOSSA-N 1 3 315.505 3.710 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857902871 1032710430 /nfs/dbraw/zinc/71/04/30/1032710430.db2.gz WOXQMZIAYDLASL-GDBMZVCRSA-N 1 3 321.896 3.967 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857902871 1032710445 /nfs/dbraw/zinc/71/04/45/1032710445.db2.gz WOXQMZIAYDLASL-GDBMZVCRSA-N 1 3 321.896 3.967 20 0 DHADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120734 1017693118 /nfs/dbraw/zinc/69/31/18/1017693118.db2.gz FTQJGLOAAIROID-ZFWWWQNUSA-N 1 3 309.523 3.957 20 0 DHADHO CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624122624 1017696263 /nfs/dbraw/zinc/69/62/63/1017696263.db2.gz XACLEWUHLNZWSJ-CVEARBPZSA-N 1 3 306.519 3.661 20 0 DHADHO C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123135 1017696993 /nfs/dbraw/zinc/69/69/93/1017696993.db2.gz GLYWCADBPJDPKF-HZPDHXFCSA-N 1 3 300.446 3.685 20 0 DHADHO CCCC[N@H+](C)CC1CCN(CCC(=O)c2ccccc2)CC1 ZINC000182061200 1017856759 /nfs/dbraw/zinc/85/67/59/1017856759.db2.gz ZZOQLAXSCUEFIX-UHFFFAOYSA-N 1 3 316.489 3.703 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(CCC(=O)c2ccccc2)CC1 ZINC000182061200 1017856780 /nfs/dbraw/zinc/85/67/80/1017856780.db2.gz ZZOQLAXSCUEFIX-UHFFFAOYSA-N 1 3 316.489 3.703 20 0 DHADHO C[C@H]1C[C@@H](NCCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358795056 1017887311 /nfs/dbraw/zinc/88/73/11/1017887311.db2.gz ZSSLHPYNXCSYQF-ZFWWWQNUSA-N 1 3 300.368 3.582 20 0 DHADHO C[C@H]1C[C@@H](NCCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000358795056 1017887327 /nfs/dbraw/zinc/88/73/27/1017887327.db2.gz ZSSLHPYNXCSYQF-ZFWWWQNUSA-N 1 3 300.368 3.582 20 0 DHADHO Fc1ccc(C2CC[NH+](CCCN3CCCCC3)CC2)cc1 ZINC000161483778 1017934674 /nfs/dbraw/zinc/93/46/74/1017934674.db2.gz QEWPLKGZUCKDAT-UHFFFAOYSA-N 1 3 304.453 3.881 20 0 DHADHO CC(C)N1CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428867954 1018248474 /nfs/dbraw/zinc/24/84/74/1018248474.db2.gz OEKMYPZKOWGKTG-UHFFFAOYSA-N 1 3 306.397 3.729 20 0 DHADHO CC(C)C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccncc1 ZINC000647283863 1018291993 /nfs/dbraw/zinc/29/19/93/1018291993.db2.gz QBVHCBHHUBLWAX-IBGZPJMESA-N 1 3 301.478 3.633 20 0 DHADHO C[C@@H](CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1)c1ccccc1 ZINC000447726538 1018461229 /nfs/dbraw/zinc/46/12/29/1018461229.db2.gz HDBRFHBRJLYTND-OALUTQOASA-N 1 3 300.490 3.988 20 0 DHADHO C[C@@H](CC[N@H+]1CC[C@@H](CN2CCCCC2)C1)c1ccccc1 ZINC000447726538 1018461236 /nfs/dbraw/zinc/46/12/36/1018461236.db2.gz HDBRFHBRJLYTND-OALUTQOASA-N 1 3 300.490 3.988 20 0 DHADHO C[C@@H](CCN1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000447726538 1018461242 /nfs/dbraw/zinc/46/12/42/1018461242.db2.gz HDBRFHBRJLYTND-OALUTQOASA-N 1 3 300.490 3.988 20 0 DHADHO COc1cc(CNCCC[N@@H+]2CCc3ccccc3C2)ccc1C ZINC000447811103 1018481312 /nfs/dbraw/zinc/48/13/12/1018481312.db2.gz COGKNRGUGQDKGU-UHFFFAOYSA-N 1 3 324.468 3.542 20 0 DHADHO COc1cc(CNCCC[N@H+]2CCc3ccccc3C2)ccc1C ZINC000447811103 1018481316 /nfs/dbraw/zinc/48/13/16/1018481316.db2.gz COGKNRGUGQDKGU-UHFFFAOYSA-N 1 3 324.468 3.542 20 0 DHADHO CO[C@H](CNC1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC000657766892 1018526326 /nfs/dbraw/zinc/52/63/26/1018526326.db2.gz FPHXSEXDTMVNFZ-LJQANCHMSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccncc1 ZINC000675928379 1018634043 /nfs/dbraw/zinc/63/40/43/1018634043.db2.gz SNESPPGOZJUKQR-MBOZVWFJSA-N 1 3 315.505 3.818 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCCOc2cc(C)ccc21 ZINC000650756554 1018686179 /nfs/dbraw/zinc/68/61/79/1018686179.db2.gz DNLSNNLUIIENOZ-LJQANCHMSA-N 1 3 310.441 3.718 20 0 DHADHO CCOc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)cc1F ZINC000278439229 1018693646 /nfs/dbraw/zinc/69/36/46/1018693646.db2.gz LHULDSWBFGUYBF-UHFFFAOYSA-N 1 3 308.441 3.529 20 0 DHADHO CCOc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1F ZINC000278439229 1018693655 /nfs/dbraw/zinc/69/36/55/1018693655.db2.gz LHULDSWBFGUYBF-UHFFFAOYSA-N 1 3 308.441 3.529 20 0 DHADHO CC1(C)C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C(C)(C)O1 ZINC000765451657 1018794658 /nfs/dbraw/zinc/79/46/58/1018794658.db2.gz COCOMZKYXPDHQS-GOSISDBHSA-N 1 3 322.537 3.967 20 0 DHADHO CC1(C)C[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)C(C)(C)O1 ZINC000765451657 1018794663 /nfs/dbraw/zinc/79/46/63/1018794663.db2.gz COCOMZKYXPDHQS-GOSISDBHSA-N 1 3 322.537 3.967 20 0 DHADHO CN(CCCCCC[NH3+])Cc1cc(Br)ccc1F ZINC000710804133 1018853244 /nfs/dbraw/zinc/85/32/44/1018853244.db2.gz LEEIJINDGSZLHL-UHFFFAOYSA-N 1 3 317.246 3.539 20 0 DHADHO CN1C(C)(C)CC([NH2+]C2(Cc3ccccn3)CCC2)CC1(C)C ZINC001171631274 1032796385 /nfs/dbraw/zinc/79/63/85/1032796385.db2.gz WXADJWYNPAGJOI-UHFFFAOYSA-N 1 3 315.505 3.788 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@]2(C)CCCS2)C1 ZINC000628156282 1018886794 /nfs/dbraw/zinc/88/67/94/1018886794.db2.gz KDMATFAJHSQQTL-SQNIBIBYSA-N 1 3 310.551 3.859 20 0 DHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@]2(C)CCCS2)C1 ZINC000628156282 1018886813 /nfs/dbraw/zinc/88/68/13/1018886813.db2.gz KDMATFAJHSQQTL-SQNIBIBYSA-N 1 3 310.551 3.859 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H](C)c2cc(C)sc2C)CC1 ZINC000159064348 1018993858 /nfs/dbraw/zinc/99/38/58/1018993858.db2.gz PFYAELSBWJZUCM-AWEZNQCLSA-N 1 3 310.507 3.516 20 0 DHADHO C1CCC(N2CCC([NH2+][C@H]3CCOC4(CCCCC4)C3)CC2)C1 ZINC000127368544 1019023836 /nfs/dbraw/zinc/02/38/36/1019023836.db2.gz SIYGXLHSDBMIGL-SFHVURJKSA-N 1 3 320.521 3.865 20 0 DHADHO C[C@H](Cc1ccc(F)cc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171619369 1032802422 /nfs/dbraw/zinc/80/24/22/1032802422.db2.gz LQYOQBRFBXTNHI-CQSZACIVSA-N 1 3 306.469 3.998 20 0 DHADHO CC(C)COc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000386977703 1019036421 /nfs/dbraw/zinc/03/64/21/1019036421.db2.gz YTNSJPIQPBKKFB-QGZVFWFLSA-N 1 3 304.478 3.858 20 0 DHADHO CCCN1CCC([NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000387016591 1019038335 /nfs/dbraw/zinc/03/83/35/1019038335.db2.gz HSJUFWQGJATTBP-ZDUSSCGKSA-N 1 3 312.404 3.813 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@@H]2CCc3ccccc3C2)CC1(C)C ZINC001171623118 1032807822 /nfs/dbraw/zinc/80/78/22/1032807822.db2.gz LAFWBYUFHHPUOL-QGZVFWFLSA-N 1 3 300.490 3.785 20 0 DHADHO Cc1nc(F)ccc1C[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000785483050 1019117468 /nfs/dbraw/zinc/11/74/68/1019117468.db2.gz REPOACJHTHUONR-OAHLLOKOSA-N 1 3 315.436 3.529 20 0 DHADHO [NH3+][C@@H]1CCN(C2CCC(c3ccc(Br)cc3)CC2)C1 ZINC001171644979 1032810727 /nfs/dbraw/zinc/81/07/27/1032810727.db2.gz WWUCOJSXXUDXDN-OGVSOVDVSA-N 1 3 323.278 3.508 20 0 DHADHO Cc1csc([C@@H]2CCCN2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923415328 1019183106 /nfs/dbraw/zinc/18/31/06/1019183106.db2.gz FMSGXGTZLZFITQ-UYTSQGDYSA-N 1 3 305.491 3.509 20 0 DHADHO CCCN1C[C@@H]2C[NH+]([C@H](C)CCc3ccc(C)cc3)C[C@H]2C1 ZINC001171682442 1032833380 /nfs/dbraw/zinc/83/33/80/1032833380.db2.gz VPTCSQYTOCWIAX-MISYRCLQSA-N 1 3 300.490 3.590 20 0 DHADHO CN1C(C)(C)CC([NH+]2CCC(c3ccccn3)CC2)CC1(C)C ZINC001171637840 1032835939 /nfs/dbraw/zinc/83/59/39/1032835939.db2.gz PNFJGGGRLFCGPJ-UHFFFAOYSA-N 1 3 315.505 3.912 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](Oc3ccccc3)C2)CC1(C)C ZINC001171638232 1032836484 /nfs/dbraw/zinc/83/64/84/1032836484.db2.gz XTBOWGFVZNDHIO-SFHVURJKSA-N 1 3 316.489 3.791 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CC[C@H](Oc3ccccc3)C2)CC1(C)C ZINC001171638232 1032836502 /nfs/dbraw/zinc/83/65/02/1032836502.db2.gz XTBOWGFVZNDHIO-SFHVURJKSA-N 1 3 316.489 3.791 20 0 DHADHO C[C@@H]([NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(O)c1 ZINC000685429104 1019818472 /nfs/dbraw/zinc/81/84/72/1019818472.db2.gz DTDJXOCQCRQDKB-MBOZVWFJSA-N 1 3 324.468 3.953 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@H]2CC23CCSCC3)CC1 ZINC000926602062 1019936073 /nfs/dbraw/zinc/93/60/73/1019936073.db2.gz REJYOPOFNLTHHX-MRXNPFEDSA-N 1 3 310.551 3.620 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2oc(C)nc2C)CC1)CC1CC1 ZINC000685570539 1019958363 /nfs/dbraw/zinc/95/83/63/1019958363.db2.gz BAKYWHTXCQAKPL-UHFFFAOYSA-N 1 3 319.493 3.625 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2oc(C)nc2C)CC1)CC1CC1 ZINC000685570539 1019958369 /nfs/dbraw/zinc/95/83/69/1019958369.db2.gz BAKYWHTXCQAKPL-UHFFFAOYSA-N 1 3 319.493 3.625 20 0 DHADHO Cc1csc([C@@H](C)NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000858369341 1032864852 /nfs/dbraw/zinc/86/48/52/1032864852.db2.gz HNYZKXSIFULJES-QQFBHYJXSA-N 1 3 307.507 3.899 20 0 DHADHO Cc1ccncc1CCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000658126240 1020175693 /nfs/dbraw/zinc/17/56/93/1020175693.db2.gz LMMYHOFQQTUFMQ-JXFKEZNVSA-N 1 3 315.505 3.565 20 0 DHADHO Cc1ccncc1CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000658127797 1020176139 /nfs/dbraw/zinc/17/61/39/1020176139.db2.gz WVXIXEBCOPVBOX-YLJYHZDGSA-N 1 3 315.505 3.565 20 0 DHADHO CC[C@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165429 1020199827 /nfs/dbraw/zinc/19/98/27/1020199827.db2.gz JPBNZMHOBVJION-VQTJNVASSA-N 1 3 315.505 3.852 20 0 DHADHO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166374 1020200161 /nfs/dbraw/zinc/20/01/61/1020200161.db2.gz UQXGSCURZPBZAF-RBUKOAKNSA-N 1 3 315.505 3.708 20 0 DHADHO FC(F)(F)[C@@H]1C[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000922732286 1020243371 /nfs/dbraw/zinc/24/33/71/1020243371.db2.gz TYGZQBNSLFEXEG-SWLSCSKDSA-N 1 3 304.400 3.572 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H](CO)CC2CC2)CC1 ZINC000658251742 1020268285 /nfs/dbraw/zinc/26/82/85/1020268285.db2.gz JXGZGWZXPJACSX-QGZVFWFLSA-N 1 3 324.553 3.664 20 0 DHADHO CC1([NH+]2CCC2)CCC(NCc2nc3c(s2)CCCC3)CC1 ZINC000922845136 1020309894 /nfs/dbraw/zinc/30/98/94/1020309894.db2.gz MBRDLIQUPONBMY-UHFFFAOYSA-N 1 3 319.518 3.519 20 0 DHADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000166391957 1020348872 /nfs/dbraw/zinc/34/88/72/1020348872.db2.gz PXICUGSGMQDIEC-IAGOWNOFSA-N 1 3 306.881 3.834 20 0 DHADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000166391957 1020348883 /nfs/dbraw/zinc/34/88/83/1020348883.db2.gz PXICUGSGMQDIEC-IAGOWNOFSA-N 1 3 306.881 3.834 20 0 DHADHO C[C@H]1C[C@H](N(C)CCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000172574326 1020530478 /nfs/dbraw/zinc/53/04/78/1020530478.db2.gz VWXXEDZIFKGDRJ-GHTZIAJQSA-N 1 3 323.484 3.609 20 0 DHADHO C[C@H]1C[C@H](N(C)CCc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000172574326 1020530481 /nfs/dbraw/zinc/53/04/81/1020530481.db2.gz VWXXEDZIFKGDRJ-GHTZIAJQSA-N 1 3 323.484 3.609 20 0 DHADHO C[NH+](C)C[C@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177722418 1020540612 /nfs/dbraw/zinc/54/06/12/1020540612.db2.gz GEBJPHSQKBAOTH-OAHLLOKOSA-N 1 3 314.395 3.522 20 0 DHADHO COc1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1Cl ZINC000628280099 1020562329 /nfs/dbraw/zinc/56/23/29/1020562329.db2.gz QAIXHGAZVMHFEA-MRXNPFEDSA-N 1 3 322.880 3.512 20 0 DHADHO CC[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858490710 1032916980 /nfs/dbraw/zinc/91/69/80/1032916980.db2.gz MKBXZBJBFXQALF-LPHOPBHVSA-N 1 3 316.489 3.784 20 0 DHADHO CC[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858490710 1032916985 /nfs/dbraw/zinc/91/69/85/1032916985.db2.gz MKBXZBJBFXQALF-LPHOPBHVSA-N 1 3 316.489 3.784 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2c(c1)CCCO2 ZINC000858490710 1032916999 /nfs/dbraw/zinc/91/69/99/1032916999.db2.gz MKBXZBJBFXQALF-LPHOPBHVSA-N 1 3 316.489 3.784 20 0 DHADHO COCc1csc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926701574 1020714044 /nfs/dbraw/zinc/71/40/44/1020714044.db2.gz AQCKDECVQOIEDY-AWEZNQCLSA-N 1 3 318.486 3.807 20 0 DHADHO c1ccc(CN2CC[C@@H](C[NH2+][C@H]3CCCc4cccnc43)C2)cc1 ZINC000310090673 1020764810 /nfs/dbraw/zinc/76/48/10/1020764810.db2.gz QWGHUECBAIYYAN-ICSRJNTNSA-N 1 3 321.468 3.571 20 0 DHADHO CC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2C)CC[C@H]1[NH3+] ZINC000647497552 1020770705 /nfs/dbraw/zinc/77/07/05/1020770705.db2.gz MAUWFWKVTLLGPD-SWLSCSKDSA-N 1 3 300.368 3.573 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414182397 1020969830 /nfs/dbraw/zinc/96/98/30/1020969830.db2.gz MYZKVJKCCJDRAS-UPBMQRFZSA-N 1 3 310.844 3.653 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414182397 1020969835 /nfs/dbraw/zinc/96/98/35/1020969835.db2.gz MYZKVJKCCJDRAS-UPBMQRFZSA-N 1 3 310.844 3.653 20 0 DHADHO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCO1 ZINC000537936357 1032947322 /nfs/dbraw/zinc/94/73/22/1032947322.db2.gz OGZPBUQSZGJBLE-GTAWCEEGSA-N 1 3 322.537 3.823 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)OCC2CC2)CC1 ZINC000414250439 1021032202 /nfs/dbraw/zinc/03/22/02/1021032202.db2.gz BDEJNIHHIPGXEK-APWZRJJASA-N 1 3 322.537 3.824 20 0 DHADHO CN([C@H]1CCCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989795 1032951130 /nfs/dbraw/zinc/95/11/30/1032951130.db2.gz GMGURTNMYMZSPP-OALUTQOASA-N 1 3 316.489 3.540 20 0 DHADHO CN([C@H]1CCCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989795 1032951148 /nfs/dbraw/zinc/95/11/48/1032951148.db2.gz GMGURTNMYMZSPP-OALUTQOASA-N 1 3 316.489 3.540 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000414292800 1021065709 /nfs/dbraw/zinc/06/57/09/1021065709.db2.gz VJEVIBJCEJHSLW-JCHJZTRSSA-N 1 3 304.453 3.767 20 0 DHADHO COC1([C@H](C)NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000414308498 1021079915 /nfs/dbraw/zinc/07/99/15/1021079915.db2.gz QLZGCADGRSZERL-BQFCYCMXSA-N 1 3 308.510 3.577 20 0 DHADHO COC1([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000414308498 1021079920 /nfs/dbraw/zinc/07/99/20/1021079920.db2.gz QLZGCADGRSZERL-BQFCYCMXSA-N 1 3 308.510 3.577 20 0 DHADHO c1coc([C@@H]2C[C@H]2N[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000414347871 1021118154 /nfs/dbraw/zinc/11/81/54/1021118154.db2.gz NWUPPKJAJYYVBO-MFKWGIFDSA-N 1 3 322.452 3.636 20 0 DHADHO c1coc([C@@H]2C[C@H]2N[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000414347871 1021118157 /nfs/dbraw/zinc/11/81/57/1021118157.db2.gz NWUPPKJAJYYVBO-MFKWGIFDSA-N 1 3 322.452 3.636 20 0 DHADHO c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000414347871 1021118160 /nfs/dbraw/zinc/11/81/60/1021118160.db2.gz NWUPPKJAJYYVBO-MFKWGIFDSA-N 1 3 322.452 3.636 20 0 DHADHO CCN1C[C@@H]2C[N@H+]([C@@H](C)CSc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001172885616 1033459595 /nfs/dbraw/zinc/45/95/95/1033459595.db2.gz QYDZFRODNRPXAC-SOUVJXGZSA-N 1 3 324.921 3.704 20 0 DHADHO CCN1C[C@@H]2C[N@@H+]([C@@H](C)CSc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001172885616 1033459603 /nfs/dbraw/zinc/45/96/03/1033459603.db2.gz QYDZFRODNRPXAC-SOUVJXGZSA-N 1 3 324.921 3.704 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091305943 1021276890 /nfs/dbraw/zinc/27/68/90/1021276890.db2.gz BLPUYHIDPFNRSB-QFBILLFUSA-N 1 3 304.478 3.714 20 0 DHADHO CCC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091305943 1021276896 /nfs/dbraw/zinc/27/68/96/1021276896.db2.gz BLPUYHIDPFNRSB-QFBILLFUSA-N 1 3 304.478 3.714 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091305943 1021276902 /nfs/dbraw/zinc/27/69/02/1021276902.db2.gz BLPUYHIDPFNRSB-QFBILLFUSA-N 1 3 304.478 3.714 20 0 DHADHO C[C@@H](N)c1ccn([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982718 1032965490 /nfs/dbraw/zinc/96/54/90/1032965490.db2.gz KGZUSGYBEAFFMO-NVXWUHKLSA-N 1 3 312.461 3.519 20 0 DHADHO C[C@@H](N)c1ccn([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982718 1032965495 /nfs/dbraw/zinc/96/54/95/1032965495.db2.gz KGZUSGYBEAFFMO-NVXWUHKLSA-N 1 3 312.461 3.519 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1csc(C(F)(F)F)c1 ZINC000924650011 1032969562 /nfs/dbraw/zinc/96/95/62/1032969562.db2.gz PMGPOLLTPAHPQR-GHMZBOCLSA-N 1 3 318.408 3.902 20 0 DHADHO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)ccc1SC ZINC000624121445 1021465397 /nfs/dbraw/zinc/46/53/97/1021465397.db2.gz WMWQJMVONAQILC-GJZGRUSLSA-N 1 3 322.518 3.800 20 0 DHADHO C[C@@H](N)c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172074430 1032982058 /nfs/dbraw/zinc/98/20/58/1032982058.db2.gz VHMMSUZGIQDIIK-OQIJWPOYSA-N 1 3 324.472 3.661 20 0 DHADHO C[C@@H](N)c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172074430 1032982073 /nfs/dbraw/zinc/98/20/73/1032982073.db2.gz VHMMSUZGIQDIIK-OQIJWPOYSA-N 1 3 324.472 3.661 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069377612 1021476769 /nfs/dbraw/zinc/47/67/69/1021476769.db2.gz XVWAOORPVISIPO-CABCVRRESA-N 1 3 306.416 3.819 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000572546967 1021500164 /nfs/dbraw/zinc/50/01/64/1021500164.db2.gz UFNUVJYXYNNAAF-KDOFPFPSSA-N 1 3 306.881 3.593 20 0 DHADHO CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121821 1021504037 /nfs/dbraw/zinc/50/40/37/1021504037.db2.gz DMVCFXJECYQMRS-PMACEKPBSA-N 1 3 318.505 3.549 20 0 DHADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121954 1021507650 /nfs/dbraw/zinc/50/76/50/1021507650.db2.gz GNNUUMOBAXMXAX-AEFFLSMTSA-N 1 3 302.462 3.530 20 0 DHADHO CC(C)O[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000638383553 1021688241 /nfs/dbraw/zinc/68/82/41/1021688241.db2.gz JQIHUUMRFRSWFD-FQEVSTJZSA-N 1 3 316.489 3.617 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)CSC)ccc1OC ZINC000182995855 1021921826 /nfs/dbraw/zinc/92/18/26/1021921826.db2.gz BAAKSGHDKHDESE-LSDHHAIUSA-N 1 3 324.534 3.939 20 0 DHADHO CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1Cl ZINC000556879020 1021923703 /nfs/dbraw/zinc/92/37/03/1021923703.db2.gz CXEVKPGOHXVEDE-UAGQMJEPSA-N 1 3 322.880 3.701 20 0 DHADHO CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1Cl ZINC000556879020 1021923717 /nfs/dbraw/zinc/92/37/17/1021923717.db2.gz CXEVKPGOHXVEDE-UAGQMJEPSA-N 1 3 322.880 3.701 20 0 DHADHO CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1Cl ZINC000556879020 1021923731 /nfs/dbraw/zinc/92/37/31/1021923731.db2.gz CXEVKPGOHXVEDE-UAGQMJEPSA-N 1 3 322.880 3.701 20 0 DHADHO Cc1ccc2cccc(CN[C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2n1 ZINC001172115013 1033016168 /nfs/dbraw/zinc/01/61/68/1033016168.db2.gz TWURHKGXQOAKRY-REPLKXPHSA-N 1 3 309.457 3.648 20 0 DHADHO Cc1ccc2cccc(CN[C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2n1 ZINC001172115013 1033016170 /nfs/dbraw/zinc/01/61/70/1033016170.db2.gz TWURHKGXQOAKRY-REPLKXPHSA-N 1 3 309.457 3.648 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccncc1Cl)C1CC1)C2 ZINC001172112384 1033016868 /nfs/dbraw/zinc/01/68/68/1033016868.db2.gz WHMONMHBAYHWLS-BASYENTBSA-N 1 3 319.880 3.791 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@]3(O)CCCC3(C)C)CC2)C1 ZINC000556934498 1021956348 /nfs/dbraw/zinc/95/63/48/1021956348.db2.gz WFFVOPVIRJMDQK-IMFGXOCKSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@]3(O)CCCC3(C)C)CC2)C1 ZINC000556934498 1021956356 /nfs/dbraw/zinc/95/63/56/1021956356.db2.gz WFFVOPVIRJMDQK-IMFGXOCKSA-N 1 3 322.537 3.560 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccncc1Cl)C1CC1)C2 ZINC001172112385 1033020987 /nfs/dbraw/zinc/02/09/87/1033020987.db2.gz WHMONMHBAYHWLS-KRXQYRFLSA-N 1 3 319.880 3.791 20 0 DHADHO NCCC[N@H+](C1CCCCC1)[C@H]1CSc2ccccc2C1 ZINC001172186646 1033028461 /nfs/dbraw/zinc/02/84/61/1033028461.db2.gz BAWNUOSDFWUOCI-QGZVFWFLSA-N 1 3 304.503 3.687 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)[C@H]1CSc2ccccc2C1 ZINC001172186646 1033028471 /nfs/dbraw/zinc/02/84/71/1033028471.db2.gz BAWNUOSDFWUOCI-QGZVFWFLSA-N 1 3 304.503 3.687 20 0 DHADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000538305408 1033030321 /nfs/dbraw/zinc/03/03/21/1033030321.db2.gz QMYABZDPZAEHIC-QUCCMNQESA-N 1 3 302.506 3.919 20 0 DHADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000538305408 1033030333 /nfs/dbraw/zinc/03/03/33/1033030333.db2.gz QMYABZDPZAEHIC-QUCCMNQESA-N 1 3 302.506 3.919 20 0 DHADHO CCO[C@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(CC)CC ZINC000766488843 1022124537 /nfs/dbraw/zinc/12/45/37/1022124537.db2.gz OWTPCVCNGCZPCL-OALUTQOASA-N 1 3 322.537 3.967 20 0 DHADHO CC1CC[NH+](C2CCC([NH2+]Cc3ccc([O-])c(F)c3)CC2)CC1 ZINC000893187490 1022192493 /nfs/dbraw/zinc/19/24/93/1022192493.db2.gz RETJPGFGJZFYLB-UHFFFAOYSA-N 1 3 320.452 3.664 20 0 DHADHO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1C(F)(F)F ZINC001169098091 1022244811 /nfs/dbraw/zinc/24/48/11/1022244811.db2.gz FSGCPFLLMBMODK-QKDCVEJESA-N 1 3 312.379 3.729 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCSc1ccc(Cl)cc1)C2 ZINC001169089552 1022256423 /nfs/dbraw/zinc/25/64/23/1022256423.db2.gz CPSWAPKAQZHLGY-QDMKHBRRSA-N 1 3 310.894 3.647 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCSc1ccc(Cl)cc1)C2 ZINC001169089552 1022256433 /nfs/dbraw/zinc/25/64/33/1022256433.db2.gz CPSWAPKAQZHLGY-QDMKHBRRSA-N 1 3 310.894 3.647 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCSc1ccc(Cl)cc1)C2 ZINC001169089552 1022256434 /nfs/dbraw/zinc/25/64/34/1022256434.db2.gz CPSWAPKAQZHLGY-QDMKHBRRSA-N 1 3 310.894 3.647 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(OCC3CCC3)c1)C2 ZINC001169107858 1022268205 /nfs/dbraw/zinc/26/82/05/1022268205.db2.gz LKBJSUMIOURNHE-REPLKXPHSA-N 1 3 314.473 3.580 20 0 DHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CC[C@H]2CCc3ccccc32)C1 ZINC000659974483 1022274008 /nfs/dbraw/zinc/27/40/08/1022274008.db2.gz MWBIYSVPCZBBPM-AZUAARDMSA-N 1 3 312.501 3.770 20 0 DHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[C@H]2CCc3ccccc32)C1 ZINC000659974483 1022274011 /nfs/dbraw/zinc/27/40/11/1022274011.db2.gz MWBIYSVPCZBBPM-AZUAARDMSA-N 1 3 312.501 3.770 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccccc3nc1[C@H]1CCCCN1)C2 ZINC001169148464 1022280372 /nfs/dbraw/zinc/28/03/72/1022280372.db2.gz ZLPMFQMFNWCCOB-KYHPRHEASA-N 1 3 324.472 3.649 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccccc3nc1[C@H]1CCCCN1)C2 ZINC001169148464 1022280379 /nfs/dbraw/zinc/28/03/79/1022280379.db2.gz ZLPMFQMFNWCCOB-KYHPRHEASA-N 1 3 324.472 3.649 20 0 DHADHO Fc1ccc(SCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000195601379 1022331987 /nfs/dbraw/zinc/33/19/87/1022331987.db2.gz HMXFHHWMWQDCHB-UHFFFAOYSA-N 1 3 322.493 3.726 20 0 DHADHO CC[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C)cc1 ZINC000132795036 1033065473 /nfs/dbraw/zinc/06/54/73/1033065473.db2.gz WOAVHIZULMGZPI-PXNSSMCTSA-N 1 3 316.489 3.537 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274865538 1022577102 /nfs/dbraw/zinc/57/71/02/1022577102.db2.gz DTDJXOCQCRQDKB-SQGPQFPESA-N 1 3 324.468 3.953 20 0 DHADHO CCC[C@H](NC1CC[NH+](CCCOC)CC1)c1cccs1 ZINC001172244622 1033066046 /nfs/dbraw/zinc/06/60/46/1033066046.db2.gz WBZIWBNKCXJVQM-INIZCTEOSA-N 1 3 310.507 3.680 20 0 DHADHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000158230752 1022616956 /nfs/dbraw/zinc/61/69/56/1022616956.db2.gz LNQRUQIRYPXMGD-CZUORRHYSA-N 1 3 312.404 3.671 20 0 DHADHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000158230752 1022616961 /nfs/dbraw/zinc/61/69/61/1022616961.db2.gz LNQRUQIRYPXMGD-CZUORRHYSA-N 1 3 312.404 3.671 20 0 DHADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000159045807 1022683519 /nfs/dbraw/zinc/68/35/19/1022683519.db2.gz RALKNUIIDMFGRE-QGZVFWFLSA-N 1 3 318.505 3.962 20 0 DHADHO Cc1cc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000621775523 1022869869 /nfs/dbraw/zinc/86/98/69/1022869869.db2.gz QVHXCGGCWKATSL-NHCUHLMSSA-N 1 3 323.484 3.562 20 0 DHADHO CC[C@@H](NC[C@@H](C)C[NH+]1CCCC1)c1ccc2c(c1)CCCO2 ZINC000768095063 1022882177 /nfs/dbraw/zinc/88/21/77/1022882177.db2.gz ZPTJTDXCRGHFEB-VQIMIIECSA-N 1 3 316.489 3.784 20 0 DHADHO CCCCn1cc(CN[C@@H](CCC[NH3+])c2ccccc2)c(C)n1 ZINC000925628657 1022891441 /nfs/dbraw/zinc/89/14/41/1022891441.db2.gz FVKISESHEAAWHX-IBGZPJMESA-N 1 3 314.477 3.561 20 0 DHADHO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCO1 ZINC000925631361 1022899829 /nfs/dbraw/zinc/89/98/29/1022899829.db2.gz XPIQCKBGOZGNAR-WTGUMLROSA-N 1 3 322.537 3.728 20 0 DHADHO Cc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1Oc1cccnc1 ZINC000414925395 1022921497 /nfs/dbraw/zinc/92/14/97/1022921497.db2.gz LTFGJPAATIAOTG-DLBZAZTESA-N 1 3 311.429 3.542 20 0 DHADHO FC1(F)CC(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000293798009 1022970922 /nfs/dbraw/zinc/97/09/22/1022970922.db2.gz UTZBCNSOKGBVEA-KZNAEPCWSA-N 1 3 320.427 3.532 20 0 DHADHO Cc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000295009486 1022991433 /nfs/dbraw/zinc/99/14/33/1022991433.db2.gz IUUUSCOWLOHLBB-SEJPIABJSA-N 1 3 321.468 3.675 20 0 DHADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cnc2ccsc2c1 ZINC000295959231 1023000904 /nfs/dbraw/zinc/00/09/04/1023000904.db2.gz MVXRZUDFTXYQKD-PRTUASRFSA-N 1 3 301.459 3.572 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NC2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000622043800 1023004767 /nfs/dbraw/zinc/00/47/67/1023004767.db2.gz MMSGDFLWJYJWMP-GJZGRUSLSA-N 1 3 312.379 3.944 20 0 DHADHO FC(F)C1CC([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000768686244 1023013355 /nfs/dbraw/zinc/01/33/55/1023013355.db2.gz IZKNLUDGWGTAOF-UHFFFAOYSA-N 1 3 300.437 3.664 20 0 DHADHO CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000167674183 1023041498 /nfs/dbraw/zinc/04/14/98/1023041498.db2.gz KSWTXTYWINIORQ-FUHWJXTLSA-N 1 3 304.478 3.604 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000089696904 1023097512 /nfs/dbraw/zinc/09/75/12/1023097512.db2.gz OYQBJJGMCVNCHP-BDJLRTHQSA-N 1 3 313.272 3.912 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCCC[NH+]1CCC(C)CC1 ZINC000769874876 1023238506 /nfs/dbraw/zinc/23/85/06/1023238506.db2.gz MEEHMHADDLMJAR-HNNXBMFYSA-N 1 3 307.482 3.708 20 0 DHADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660661322 1023366934 /nfs/dbraw/zinc/36/69/34/1023366934.db2.gz ZZWMIUIRKAYQMN-KSSFIOAISA-N 1 3 324.415 3.767 20 0 DHADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660661322 1023366942 /nfs/dbraw/zinc/36/69/42/1023366942.db2.gz ZZWMIUIRKAYQMN-KSSFIOAISA-N 1 3 324.415 3.767 20 0 DHADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C[C@H]1C ZINC001172368893 1033149657 /nfs/dbraw/zinc/14/96/57/1033149657.db2.gz KJSLEFJQQKNPEZ-ZHALLVOQSA-N 1 3 315.505 3.708 20 0 DHADHO C[C@@H]1CC[C@@H]([NH+]2CCC(N)(Cc3cccc(F)c3)CC2)C[C@@H]1C ZINC001172371626 1033152033 /nfs/dbraw/zinc/15/20/33/1033152033.db2.gz VNVAUNLCICZAAG-JTDSTZFVSA-N 1 3 318.480 3.986 20 0 DHADHO C[N@@H+]1CCC[C@H](CN[C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652150855 1023680179 /nfs/dbraw/zinc/68/01/79/1023680179.db2.gz BCVOISUYHSSDAZ-VQIMIIECSA-N 1 3 301.478 3.634 20 0 DHADHO C[N@H+]1CCC[C@H](CN[C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652150855 1023680184 /nfs/dbraw/zinc/68/01/84/1023680184.db2.gz BCVOISUYHSSDAZ-VQIMIIECSA-N 1 3 301.478 3.634 20 0 DHADHO C[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)O1 ZINC000661851410 1023778976 /nfs/dbraw/zinc/77/89/76/1023778976.db2.gz UONFBUYCEBRCRE-MSOLQXFVSA-N 1 3 316.489 3.672 20 0 DHADHO C[C@@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925731507 1023781321 /nfs/dbraw/zinc/78/13/21/1023781321.db2.gz SXHGGXMRUSEILX-WXHSDQCUSA-N 1 3 315.383 3.657 20 0 DHADHO C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662249165 1024028791 /nfs/dbraw/zinc/02/87/91/1024028791.db2.gz RJVLBIKFNLDWPC-CYBMUJFWSA-N 1 3 316.395 3.804 20 0 DHADHO COc1ccc(CN(Cc2cccc3c2CC[NH2+]C3)C2CC2)cc1 ZINC000662249702 1024029615 /nfs/dbraw/zinc/02/96/15/1024029615.db2.gz YGCULNQKDCVVBH-UHFFFAOYSA-N 1 3 322.452 3.506 20 0 DHADHO Cc1nc(C)c([C@H](C)N(C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000662264560 1024041730 /nfs/dbraw/zinc/04/17/30/1024041730.db2.gz SOWXIIUNFHCGEG-ZDUSSCGKSA-N 1 3 315.486 3.599 20 0 DHADHO C[C@H](c1cc(F)ccc1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298409 1024080090 /nfs/dbraw/zinc/08/00/90/1024080090.db2.gz WAMSEBTVXZCNJB-HIFRSBDPSA-N 1 3 308.416 3.737 20 0 DHADHO C[C@H](c1ccc(F)cc1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297406 1024080319 /nfs/dbraw/zinc/08/03/19/1024080319.db2.gz PILWDCNAOSYJFL-HIFRSBDPSA-N 1 3 308.416 3.737 20 0 DHADHO C[C@@H]1CCCN(Cc2csc(-c3ccco3)n2)[C@@H]1CCC[NH3+] ZINC000662314831 1024102557 /nfs/dbraw/zinc/10/25/57/1024102557.db2.gz QWFJNFBNIAKMAF-UKRRQHHQSA-N 1 3 319.474 3.743 20 0 DHADHO CCCOc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000193508018 1024159588 /nfs/dbraw/zinc/15/95/88/1024159588.db2.gz JDVRBYRNJNJCKB-JKSUJKDBSA-N 1 3 302.462 3.610 20 0 DHADHO CCCOc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000193508018 1024159594 /nfs/dbraw/zinc/15/95/94/1024159594.db2.gz JDVRBYRNJNJCKB-JKSUJKDBSA-N 1 3 302.462 3.610 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000925766717 1024183615 /nfs/dbraw/zinc/18/36/15/1024183615.db2.gz LLSQEFMFADDSLZ-JXFKEZNVSA-N 1 3 311.473 3.767 20 0 DHADHO CC1CCC(O)(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000663464051 1024397899 /nfs/dbraw/zinc/39/78/99/1024397899.db2.gz IERNLZPMIMGCLC-VXLIZBOYSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468064 1024405873 /nfs/dbraw/zinc/40/58/73/1024405873.db2.gz KCSVLAJBAZVAOP-SJLPKXTDSA-N 1 3 318.480 3.858 20 0 DHADHO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925777479 1024426582 /nfs/dbraw/zinc/42/65/82/1024426582.db2.gz DYTGQCAIEWWWAC-YOEHRIQHSA-N 1 3 310.432 3.781 20 0 DHADHO Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCN(CC3CC3)C1)C2 ZINC000663471787 1024428238 /nfs/dbraw/zinc/42/82/38/1024428238.db2.gz YFPSYIJHAVFCAJ-BEFAXECRSA-N 1 3 318.892 3.519 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccccc1C(F)(F)F ZINC000925778129 1024432157 /nfs/dbraw/zinc/43/21/57/1024432157.db2.gz IDVSHAXXMZFYMH-WDEREUQCSA-N 1 3 322.321 3.601 20 0 DHADHO Clc1cccc(CC2(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453379127 1024498401 /nfs/dbraw/zinc/49/84/01/1024498401.db2.gz QKRUATIPINIGQF-IRXDYDNUSA-N 1 3 304.865 3.632 20 0 DHADHO Clc1cccc(CC2(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453379127 1024498402 /nfs/dbraw/zinc/49/84/02/1024498402.db2.gz QKRUATIPINIGQF-IRXDYDNUSA-N 1 3 304.865 3.632 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@@H]2NC2CC[NH+](C(C)C)CC2)cc1 ZINC000532235238 1024587383 /nfs/dbraw/zinc/58/73/83/1024587383.db2.gz SPNMIQTWTYHJMS-PMACEKPBSA-N 1 3 316.489 3.678 20 0 DHADHO CCCN1CCC([N@H+](C)Cc2ccc(OC(F)F)cc2)CC1 ZINC000109787347 1024697412 /nfs/dbraw/zinc/69/74/12/1024697412.db2.gz HRDDQDDIONLSSS-UHFFFAOYSA-N 1 3 312.404 3.594 20 0 DHADHO CCCN1CCC([N@@H+](C)Cc2ccc(OC(F)F)cc2)CC1 ZINC000109787347 1024697416 /nfs/dbraw/zinc/69/74/16/1024697416.db2.gz HRDDQDDIONLSSS-UHFFFAOYSA-N 1 3 312.404 3.594 20 0 DHADHO c1sc(C[NH2+]CCCN2CCCC2)cc1-c1ccccc1 ZINC000038030739 1024715145 /nfs/dbraw/zinc/71/51/45/1024715145.db2.gz PZCAINWFIPBKGH-UHFFFAOYSA-N 1 3 300.471 3.991 20 0 DHADHO COc1cccc(CCCN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000121813307 1024762767 /nfs/dbraw/zinc/76/27/67/1024762767.db2.gz CLMPHWCAKUIKSI-IBGZPJMESA-N 1 3 316.489 3.578 20 0 DHADHO C[C@H](c1ccncc1)N1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663736821 1024948214 /nfs/dbraw/zinc/94/82/14/1024948214.db2.gz RJKJLLJIUCQOJH-CQSZACIVSA-N 1 3 321.428 3.595 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000021513134 1024953192 /nfs/dbraw/zinc/95/31/92/1024953192.db2.gz ZVKKYZPLKTWNFU-ZDUSSCGKSA-N 1 3 300.368 3.842 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCSc3c(F)cccc32)[C@H]2CCC[C@@H]21 ZINC000353401804 1025055694 /nfs/dbraw/zinc/05/56/94/1025055694.db2.gz IGLBROGYCGCMCV-ZFVVBOAOSA-N 1 3 320.477 3.825 20 0 DHADHO C[N@H+]1CC[C@H](N[C@@H]2CCSc3c(F)cccc32)[C@H]2CCC[C@@H]21 ZINC000353401804 1025055704 /nfs/dbraw/zinc/05/57/04/1025055704.db2.gz IGLBROGYCGCMCV-ZFVVBOAOSA-N 1 3 320.477 3.825 20 0 DHADHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000353440671 1025069794 /nfs/dbraw/zinc/06/97/94/1025069794.db2.gz ZUAZENLTCARNTR-UHFFFAOYSA-N 1 3 312.457 3.932 20 0 DHADHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000353440671 1025069809 /nfs/dbraw/zinc/06/98/09/1025069809.db2.gz ZUAZENLTCARNTR-UHFFFAOYSA-N 1 3 312.457 3.932 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2c(C)oc3ccccc32)[C@H](C)C1 ZINC000353746083 1025228022 /nfs/dbraw/zinc/22/80/22/1025228022.db2.gz KTIZPJQOGGXOQD-RDTXWAMCSA-N 1 3 300.446 3.903 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2c(C)oc3ccccc32)[C@H](C)C1 ZINC000353746083 1025228029 /nfs/dbraw/zinc/22/80/29/1025228029.db2.gz KTIZPJQOGGXOQD-RDTXWAMCSA-N 1 3 300.446 3.903 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000040622776 1025241109 /nfs/dbraw/zinc/24/11/09/1025241109.db2.gz XXSQFUPOZCSSEM-QQFBHYJXSA-N 1 3 306.881 3.906 20 0 DHADHO C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC000354166761 1025373539 /nfs/dbraw/zinc/37/35/39/1025373539.db2.gz MJPCVAWIRPXUDY-OAQYLSRUSA-N 1 3 321.468 3.666 20 0 DHADHO C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC000354166761 1025373551 /nfs/dbraw/zinc/37/35/51/1025373551.db2.gz MJPCVAWIRPXUDY-OAQYLSRUSA-N 1 3 321.468 3.666 20 0 DHADHO C[N@H+](CCCNCc1cccc2cnccc21)Cc1ccccc1 ZINC000237084575 1025435842 /nfs/dbraw/zinc/43/58/42/1025435842.db2.gz PXNILTZYBAPMQB-UHFFFAOYSA-N 1 3 319.452 3.847 20 0 DHADHO C[N@@H+](CCCNCc1cccc2cnccc21)Cc1ccccc1 ZINC000237084575 1025435847 /nfs/dbraw/zinc/43/58/47/1025435847.db2.gz PXNILTZYBAPMQB-UHFFFAOYSA-N 1 3 319.452 3.847 20 0 DHADHO Cc1cc(Nc2cccc(OCC[NH+](C)C)c2)c2ccccc2n1 ZINC001212802531 1025450551 /nfs/dbraw/zinc/45/05/51/1025450551.db2.gz ACBIRLYCKSZEFO-UHFFFAOYSA-N 1 3 321.424 3.649 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)[C@H]1CCCN(C2CCC2)C1 ZINC000886127045 1025519171 /nfs/dbraw/zinc/51/91/71/1025519171.db2.gz ACRYYAQMRREJQL-LNLFQRSKSA-N 1 3 320.521 3.578 20 0 DHADHO C[C@H](NC[C@@H]1CCC2(CCC2)CO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127045 1025519177 /nfs/dbraw/zinc/51/91/77/1025519177.db2.gz ACRYYAQMRREJQL-LNLFQRSKSA-N 1 3 320.521 3.578 20 0 DHADHO C[C@H](NC[C@@H]1CCC2(CCC2)CO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127045 1025519184 /nfs/dbraw/zinc/51/91/84/1025519184.db2.gz ACRYYAQMRREJQL-LNLFQRSKSA-N 1 3 320.521 3.578 20 0 DHADHO C[C@@H]([NH2+]CC1(C(F)F)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000348366002 1025522829 /nfs/dbraw/zinc/52/28/29/1025522829.db2.gz DVPBKLRCKOQDJH-ZBFHGGJFSA-N 1 3 308.416 3.532 20 0 DHADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cn2c(n1)CCCC2 ZINC000924685971 1033288217 /nfs/dbraw/zinc/28/82/17/1033288217.db2.gz JKWQBCXMHXBKIB-SJORKVTESA-N 1 3 318.509 3.525 20 0 DHADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cn2c(n1)CCCC2 ZINC000924685971 1033288227 /nfs/dbraw/zinc/28/82/27/1033288227.db2.gz JKWQBCXMHXBKIB-SJORKVTESA-N 1 3 318.509 3.525 20 0 DHADHO c1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2c1CCC2 ZINC000355217289 1025641675 /nfs/dbraw/zinc/64/16/75/1025641675.db2.gz GGEZVLYDFLCPBQ-TZIWHRDSSA-N 1 3 310.485 3.624 20 0 DHADHO c1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2c1CCC2 ZINC000355217289 1025641688 /nfs/dbraw/zinc/64/16/88/1025641688.db2.gz GGEZVLYDFLCPBQ-TZIWHRDSSA-N 1 3 310.485 3.624 20 0 DHADHO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1cccc(OC)c1 ZINC000131171588 1025685509 /nfs/dbraw/zinc/68/55/09/1025685509.db2.gz IUJANOYMUNJLEL-LJQANCHMSA-N 1 3 304.478 3.856 20 0 DHADHO CCc1nc2c(s1)[C@H]([NH2+]C1CCN(CC(C)C)CC1)CCC2 ZINC000131200097 1025690575 /nfs/dbraw/zinc/69/05/75/1025690575.db2.gz JXXGPRPKBQNGFS-OAHLLOKOSA-N 1 3 321.534 3.793 20 0 DHADHO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000049553284 1025715396 /nfs/dbraw/zinc/71/53/96/1025715396.db2.gz HVQAQYHBXZHBNT-SWLSCSKDSA-N 1 3 313.283 3.830 20 0 DHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCc2nccs2)CC1 ZINC000359872575 1025725628 /nfs/dbraw/zinc/72/56/28/1025725628.db2.gz PFYFFRYPWZODLW-DOTOQJQBSA-N 1 3 321.534 3.708 20 0 DHADHO C[N@H+](CCCNCc1cccc2[nH]ccc21)Cc1ccccc1 ZINC000237084175 1026004912 /nfs/dbraw/zinc/00/49/12/1026004912.db2.gz ASONLDIBIFYFCC-UHFFFAOYSA-N 1 3 307.441 3.780 20 0 DHADHO C[N@@H+](CCCNCc1cccc2[nH]ccc21)Cc1ccccc1 ZINC000237084175 1026004937 /nfs/dbraw/zinc/00/49/37/1026004937.db2.gz ASONLDIBIFYFCC-UHFFFAOYSA-N 1 3 307.441 3.780 20 0 DHADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1N(C)C ZINC000089512859 1026053104 /nfs/dbraw/zinc/05/31/04/1026053104.db2.gz BVZVZGKNMZVINK-OAHLLOKOSA-N 1 3 303.494 3.666 20 0 DHADHO COCCC[C@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000290158821 1026121893 /nfs/dbraw/zinc/12/18/93/1026121893.db2.gz LUCCKZRXQPQIGT-ICSRJNTNSA-N 1 3 318.505 3.693 20 0 DHADHO Cc1ccsc1[C@H](C)NCc1ccccc1OCC[NH+](C)C ZINC000122332450 1026181988 /nfs/dbraw/zinc/18/19/88/1026181988.db2.gz WTKBEKYRGLFEKN-HNNXBMFYSA-N 1 3 318.486 3.848 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261747627 1026247572 /nfs/dbraw/zinc/24/75/72/1026247572.db2.gz BYNOWFUWOMPNJM-TZMCWYRMSA-N 1 3 300.368 3.573 20 0 DHADHO CC(C)c1ccc(OCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1 ZINC000513691153 1026618356 /nfs/dbraw/zinc/61/83/56/1026618356.db2.gz RQYNMDBWTPDMHG-VAMGGRTRSA-N 1 3 316.489 3.651 20 0 DHADHO CC(C)CN1CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280395163 1026644518 /nfs/dbraw/zinc/64/45/18/1026644518.db2.gz XEAHNNQYRKRDBC-LJQANCHMSA-N 1 3 301.478 3.633 20 0 DHADHO CCN(C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000647886115 1026680009 /nfs/dbraw/zinc/68/00/09/1026680009.db2.gz UJZVTUCPPVPYNP-QWHCGFSZSA-N 1 3 300.368 3.698 20 0 DHADHO Cc1cccc(-c2c[nH]c([C@H]3CCCN3CC[C@@H]3CC[NH2+]C3)n2)c1 ZINC000420308024 1026800536 /nfs/dbraw/zinc/80/05/36/1026800536.db2.gz CHKLIVSCERIUBK-QFBILLFUSA-N 1 3 324.472 3.522 20 0 DHADHO CC1(C)CNCC[C@H]1[NH2+]CCCSc1ccccc1Cl ZINC000420355466 1026806761 /nfs/dbraw/zinc/80/67/61/1026806761.db2.gz FGOXNCFLLHZGHR-OAHLLOKOSA-N 1 3 312.910 3.800 20 0 DHADHO C[NH2+]CCCN1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000420377547 1026809659 /nfs/dbraw/zinc/80/96/59/1026809659.db2.gz SLKIWIRFZMYGOY-LEWJYISDSA-N 1 3 324.468 3.835 20 0 DHADHO C[C@H](c1cccc(Cl)c1)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420387464 1026811714 /nfs/dbraw/zinc/81/17/14/1026811714.db2.gz VWGZZNYMRKJCNG-XWIAVFTESA-N 1 3 322.880 3.619 20 0 DHADHO CC(C)[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000573077871 1027259234 /nfs/dbraw/zinc/25/92/34/1027259234.db2.gz SGSOSYBATKMGNU-QWFCFKBJSA-N 1 3 318.505 3.863 20 0 DHADHO C[C@@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)CN1CCCC1 ZINC000573139979 1027264996 /nfs/dbraw/zinc/26/49/96/1027264996.db2.gz VEADFQUVHZQYQH-UQHVZDHRSA-N 1 3 308.416 3.532 20 0 DHADHO Cc1nc2c(o1)CCC[C@@H]2NCCCCCCC[NH+]1CCCC1 ZINC000924953821 1027278570 /nfs/dbraw/zinc/27/85/70/1027278570.db2.gz CALJIBSESGVWEV-KRWDZBQOSA-N 1 3 319.493 3.996 20 0 DHADHO CCc1ccc([C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)N(C)C)cc1 ZINC000422734973 1027303996 /nfs/dbraw/zinc/30/39/96/1027303996.db2.gz VFRAYZZBQWXURU-HKBOAZHASA-N 1 3 323.484 3.586 20 0 DHADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422776938 1027317340 /nfs/dbraw/zinc/31/73/40/1027317340.db2.gz BHHORYLWPXJEPK-HUUCEWRRSA-N 1 3 312.379 3.597 20 0 DHADHO c1sc2ccccc2c1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422763428 1027321213 /nfs/dbraw/zinc/32/12/13/1027321213.db2.gz OPNKBILBKMHJKB-GVDBMIGSSA-N 1 3 300.471 3.912 20 0 DHADHO [NH3+][C@@H]1CCC[C@H]1NCCSCc1cccc2ccccc21 ZINC000422761597 1027321709 /nfs/dbraw/zinc/32/17/09/1027321709.db2.gz MZITZWXTCNCDOS-QZTJIDSGSA-N 1 3 300.471 3.542 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000422801702 1027326229 /nfs/dbraw/zinc/32/62/29/1027326229.db2.gz AEVZKHDIEGHWTE-QRWLVFNGSA-N 1 3 311.473 3.939 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)[NH2+][C@H]3CNCC[C@H]3C)cc2)cs1 ZINC000422807755 1027330633 /nfs/dbraw/zinc/33/06/33/1027330633.db2.gz PJNRZISGMQVZEI-IGCXYCKISA-N 1 3 315.486 3.767 20 0 DHADHO Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H]3CCC[C@H]3N)cc2)cs1 ZINC000422811164 1027332158 /nfs/dbraw/zinc/33/21/58/1027332158.db2.gz VLORMYNKKNYSCV-IUIKQTSFSA-N 1 3 301.459 3.649 20 0 DHADHO Cc1ccc2c(CCN[C@@H]3C[C@H]([NH3+])c4ccccc43)c[nH]c2c1 ZINC000422852551 1027341280 /nfs/dbraw/zinc/34/12/80/1027341280.db2.gz XYWPCHZTNQQPKS-AZUAARDMSA-N 1 3 305.425 3.753 20 0 DHADHO Cc1ccc2c(CCN[C@H]3C[C@@H]([NH3+])c4ccccc43)c[nH]c2c1 ZINC000422852553 1027344633 /nfs/dbraw/zinc/34/46/33/1027344633.db2.gz XYWPCHZTNQQPKS-QUCCMNQESA-N 1 3 305.425 3.753 20 0 DHADHO CC[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)Oc1cccc(F)c1 ZINC000422844865 1027347305 /nfs/dbraw/zinc/34/73/05/1027347305.db2.gz ALUFACGYUYXRTO-NIKGAXFTSA-N 1 3 314.404 3.718 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1nc(C2CCCCC2)cs1 ZINC000422912784 1027357318 /nfs/dbraw/zinc/35/73/18/1027357318.db2.gz OASTUACGIBLRKV-HOCLYGCPSA-N 1 3 321.534 3.711 20 0 DHADHO Cc1ccc(-c2cccc(CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])c2)cc1 ZINC000422929006 1027365732 /nfs/dbraw/zinc/36/57/32/1027365732.db2.gz NWMFYWSFGNOAGT-ZLGUVYLKSA-N 1 3 324.468 3.504 20 0 DHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422939236 1027369780 /nfs/dbraw/zinc/36/97/80/1027369780.db2.gz IAJOFHUUFBTPDI-OCCSQVGLSA-N 1 3 301.261 3.643 20 0 DHADHO C[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)Oc1ccccc1Cl ZINC000422918448 1027373841 /nfs/dbraw/zinc/37/38/41/1027373841.db2.gz IDHIUSVJLNBUGR-CSMYWGQOSA-N 1 3 316.832 3.842 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423018241 1027389129 /nfs/dbraw/zinc/38/91/29/1027389129.db2.gz QMAVOIABMMFODS-VFNWGFHPSA-N 1 3 323.484 3.794 20 0 DHADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423024134 1027392696 /nfs/dbraw/zinc/39/26/96/1027392696.db2.gz LBMRARBNAYUHHI-HZPDHXFCSA-N 1 3 310.844 3.760 20 0 DHADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423022238 1027394492 /nfs/dbraw/zinc/39/44/92/1027394492.db2.gz HEZDOZPRUFEIQY-MLGOLLRUSA-N 1 3 310.844 3.618 20 0 DHADHO C[C@H](NCC1(c2ccccc2Cl)CCCCC1)C1C[NH2+]C1 ZINC000423028303 1027396793 /nfs/dbraw/zinc/39/67/93/1027396793.db2.gz SRHHMEVBDQKAGU-AWEZNQCLSA-N 1 3 306.881 3.739 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423057931 1027402557 /nfs/dbraw/zinc/40/25/57/1027402557.db2.gz INRLYRSEHLENLT-WDEREUQCSA-N 1 3 318.358 3.592 20 0 DHADHO CCCC(C)(C)N(Cc1cccs1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000574607521 1027411241 /nfs/dbraw/zinc/41/12/41/1027411241.db2.gz BXCAGADMMIOJSI-MRXNPFEDSA-N 1 3 324.534 3.584 20 0 DHADHO CCCC(C)(C)N(Cc1cccs1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000574607521 1027411248 /nfs/dbraw/zinc/41/12/48/1027411248.db2.gz BXCAGADMMIOJSI-MRXNPFEDSA-N 1 3 324.534 3.584 20 0 DHADHO NC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423095071 1027414120 /nfs/dbraw/zinc/41/41/20/1027414120.db2.gz LHFQPQAHLZLGNM-XOUADPBQSA-N 1 3 312.379 3.668 20 0 DHADHO NCCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000423184753 1027437865 /nfs/dbraw/zinc/43/78/65/1027437865.db2.gz IOKDKLJSPSPXPG-LSDHHAIUSA-N 1 3 300.368 3.670 20 0 DHADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1cccc(Cl)c1 ZINC000423183973 1027438052 /nfs/dbraw/zinc/43/80/52/1027438052.db2.gz HCHSJGPENZXNDW-AWEZNQCLSA-N 1 3 303.837 3.566 20 0 DHADHO NC1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCCC1 ZINC000423179947 1027442894 /nfs/dbraw/zinc/44/28/94/1027442894.db2.gz NAKFIQYIJBERTD-CRAIPNDOSA-N 1 3 320.452 3.545 20 0 DHADHO C[C@H](Cc1ccccc1C(F)(F)F)NCC1([NH3+])CCCCC1 ZINC000423178149 1027443023 /nfs/dbraw/zinc/44/30/23/1027443023.db2.gz KITLLJPKDYVNGB-CYBMUJFWSA-N 1 3 314.395 3.888 20 0 DHADHO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423208753 1027446609 /nfs/dbraw/zinc/44/66/09/1027446609.db2.gz DQENLLOHPVMXIG-TWOQFEAHSA-N 1 3 309.457 3.787 20 0 DHADHO COCCC[C@H]([NH2+]CC1(N)CCCCCC1)c1ccc(F)cc1 ZINC000423201444 1027451573 /nfs/dbraw/zinc/45/15/73/1027451573.db2.gz ORPLSKWMWSYNPZ-SFHVURJKSA-N 1 3 322.468 3.935 20 0 DHADHO COc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423220870 1027463041 /nfs/dbraw/zinc/46/30/41/1027463041.db2.gz WCGLSAYETUQUGW-JYJNAYRXSA-N 1 3 312.457 3.887 20 0 DHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000423251109 1027474990 /nfs/dbraw/zinc/47/49/90/1027474990.db2.gz WBFGSTMKDTYISL-YWZLYKJASA-N 1 3 320.440 3.531 20 0 DHADHO Cc1ccc(OC(F)F)c([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423284513 1027481762 /nfs/dbraw/zinc/48/17/62/1027481762.db2.gz YENLTQBZGOYPKF-KCQAQPDRSA-N 1 3 312.404 3.765 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(F)cc2N(C)C)cc1 ZINC000423290704 1027486621 /nfs/dbraw/zinc/48/66/21/1027486621.db2.gz FCFZJGOAUPBDDK-ZIAGYGMSSA-N 1 3 315.436 3.762 20 0 DHADHO CCC(N)(CC)C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423291308 1027487320 /nfs/dbraw/zinc/48/73/20/1027487320.db2.gz HUJHVERJNMDHOH-DLBZAZTESA-N 1 3 324.896 3.537 20 0 DHADHO CC(=O)Nc1cccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423292027 1027487355 /nfs/dbraw/zinc/48/73/55/1027487355.db2.gz KZTLMGXWALATFQ-KGLIPLIRSA-N 1 3 311.429 3.516 20 0 DHADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423313871 1027495908 /nfs/dbraw/zinc/49/59/08/1027495908.db2.gz GFVWJMDVXQEJKA-AUUYWEPGSA-N 1 3 310.441 3.750 20 0 DHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC[C@H](C)C[NH3+] ZINC000423295769 1027502179 /nfs/dbraw/zinc/50/21/79/1027502179.db2.gz FOYBVMAZJAUWGJ-MNOVXSKESA-N 1 3 307.438 3.503 20 0 DHADHO NC1(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCC1 ZINC000423331345 1027511717 /nfs/dbraw/zinc/51/17/17/1027511717.db2.gz PZTSXNSNAAJIEV-CQSZACIVSA-N 1 3 314.351 3.507 20 0 DHADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(OC(F)F)cc1 ZINC000423353395 1027518684 /nfs/dbraw/zinc/51/86/84/1027518684.db2.gz DADOKURXYUBQQW-LBPRGKRZSA-N 1 3 318.367 3.742 20 0 DHADHO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000296052574 1027529004 /nfs/dbraw/zinc/52/90/04/1027529004.db2.gz VFJLPVFJGLAACR-AVOUXACISA-N 1 3 324.415 3.872 20 0 DHADHO CC(C)[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423395649 1027534939 /nfs/dbraw/zinc/53/49/39/1027534939.db2.gz NIWWASLIZQIFSK-KCXAZCMYSA-N 1 3 314.395 3.990 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000423404193 1027538808 /nfs/dbraw/zinc/53/88/08/1027538808.db2.gz ZAISQAQYLRULDF-CFVMTHIKSA-N 1 3 312.910 3.941 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000423404193 1027538815 /nfs/dbraw/zinc/53/88/15/1027538815.db2.gz ZAISQAQYLRULDF-CFVMTHIKSA-N 1 3 312.910 3.941 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)[C@H](C)N ZINC000423443924 1027544170 /nfs/dbraw/zinc/54/41/70/1027544170.db2.gz LAISHHSVWXRCFC-MISXGVKJSA-N 1 3 319.449 3.652 20 0 DHADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423442122 1027544517 /nfs/dbraw/zinc/54/45/17/1027544517.db2.gz UXJPOQDVMOCRRR-KGLIPLIRSA-N 1 3 303.475 3.978 20 0 DHADHO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423460397 1027555518 /nfs/dbraw/zinc/55/55/18/1027555518.db2.gz BAWCJIMQLVIMRM-QILLFSRXSA-N 1 3 306.469 3.933 20 0 DHADHO C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1csc(-c2ccccc2F)n1 ZINC000423496200 1027574958 /nfs/dbraw/zinc/57/49/58/1027574958.db2.gz FZJQJTMGUHSKAB-RWMBFGLXSA-N 1 3 319.449 3.727 20 0 DHADHO C[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)[C@@H]1C[C@H]1c1ccccc1 ZINC000423531354 1027577454 /nfs/dbraw/zinc/57/74/54/1027577454.db2.gz SNNHPWABSSWIIS-MUULFIBGSA-N 1 3 324.512 3.922 20 0 DHADHO C[C@H](NCC(C)(C)c1c(F)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000562959555 1027826938 /nfs/dbraw/zinc/82/69/38/1027826938.db2.gz IACYNSJJVWBWDB-STQMWFEESA-N 1 3 312.860 3.734 20 0 DHADHO CC1(C)[C@@H]2C[C@H]([NH2+]C3CCN(C[C@H]4CC=CCC4)CC3)C[C@@H]21 ZINC001170739087 1028005602 /nfs/dbraw/zinc/00/56/02/1028005602.db2.gz NWXBJDXNIJHLIL-KANFNMMFSA-N 1 3 302.506 3.831 20 0 DHADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC000578871230 1028261607 /nfs/dbraw/zinc/26/16/07/1028261607.db2.gz ULFVYMMQHRXENU-YZGWKJHDSA-N 1 3 300.490 3.951 20 0 DHADHO C[C@@H](CC1CC1)[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000368401980 1028348498 /nfs/dbraw/zinc/34/84/98/1028348498.db2.gz IAHMJVKKOYXQAC-MAUKXSAKSA-N 1 3 314.473 3.753 20 0 DHADHO C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)CN1CCCC1 ZINC000449092161 1028365603 /nfs/dbraw/zinc/36/56/03/1028365603.db2.gz RXHTWOYIEUEQJT-MUYFXNHWSA-N 1 3 308.510 3.578 20 0 DHADHO CN1CCC2(CCC[N@@H+]2[C@H]2CSCCc3ccccc32)CC1 ZINC000368566997 1028374256 /nfs/dbraw/zinc/37/42/56/1028374256.db2.gz KTXUPIIEPLADKO-SFHVURJKSA-N 1 3 316.514 3.577 20 0 DHADHO CN1CCC2(CCC[N@H+]2[C@H]2CSCCc3ccccc32)CC1 ZINC000368566997 1028374272 /nfs/dbraw/zinc/37/42/72/1028374272.db2.gz KTXUPIIEPLADKO-SFHVURJKSA-N 1 3 316.514 3.577 20 0 DHADHO Cc1cnc(C2CC[NH+](CC[C@@H]3CCCCN3C)CC2)s1 ZINC000369365816 1028481041 /nfs/dbraw/zinc/48/10/41/1028481041.db2.gz GWTABWXZOARLCT-INIZCTEOSA-N 1 3 307.507 3.505 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC[C@@H](C)F)ccc1OC ZINC000815645491 1028590433 /nfs/dbraw/zinc/59/04/33/1028590433.db2.gz HNHMWDWZKARDRS-CABCVRRESA-N 1 3 310.457 3.936 20 0 DHADHO C(CN1CCCCC1)C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000565578143 1028606821 /nfs/dbraw/zinc/60/68/21/1028606821.db2.gz LHAVYCKVIWRLOY-UHFFFAOYSA-N 1 3 322.537 3.924 20 0 DHADHO CC(C)c1nccn1[C@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000370494812 1028609536 /nfs/dbraw/zinc/60/95/36/1028609536.db2.gz KSPZZNRJZHJLIF-ROUUACIJSA-N 1 3 318.509 3.518 20 0 DHADHO CC(C)c1nccn1[C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000370494812 1028609538 /nfs/dbraw/zinc/60/95/38/1028609538.db2.gz KSPZZNRJZHJLIF-ROUUACIJSA-N 1 3 318.509 3.518 20 0 DHADHO CC(C)c1nccn1[C@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000370494812 1028609547 /nfs/dbraw/zinc/60/95/47/1028609547.db2.gz KSPZZNRJZHJLIF-ROUUACIJSA-N 1 3 318.509 3.518 20 0 DHADHO CC(C)c1nccn1[C@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000370494812 1028609555 /nfs/dbraw/zinc/60/95/55/1028609555.db2.gz KSPZZNRJZHJLIF-ROUUACIJSA-N 1 3 318.509 3.518 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2C[C@@]2(C)c2cccs2)CC1 ZINC000370623851 1028626250 /nfs/dbraw/zinc/62/62/50/1028626250.db2.gz CQURXZDHFRYXKH-KBXCAEBGSA-N 1 3 306.519 3.878 20 0 DHADHO CC(C)Oc1ccc(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000565945032 1028657423 /nfs/dbraw/zinc/65/74/23/1028657423.db2.gz BUYVOVFPUCOULA-VQTJNVASSA-N 1 3 310.441 3.751 20 0 DHADHO COc1cccc2c(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cccc12 ZINC000449561639 1028802457 /nfs/dbraw/zinc/80/24/57/1028802457.db2.gz WNFMZBKLXNNKDQ-ALOPSCKCSA-N 1 3 310.441 3.563 20 0 DHADHO COc1cccc2c(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cccc12 ZINC000449561639 1028802479 /nfs/dbraw/zinc/80/24/79/1028802479.db2.gz WNFMZBKLXNNKDQ-ALOPSCKCSA-N 1 3 310.441 3.563 20 0 DHADHO CC[N@H+](Cc1ccccc1)C1CCN([C@H]2CCCOCC2)CC1 ZINC001170828237 1028905754 /nfs/dbraw/zinc/90/57/54/1028905754.db2.gz XDCMPJNGUNHWSO-IBGZPJMESA-N 1 3 316.489 3.542 20 0 DHADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CCCOCC2)CC1 ZINC001170828237 1028905755 /nfs/dbraw/zinc/90/57/55/1028905755.db2.gz XDCMPJNGUNHWSO-IBGZPJMESA-N 1 3 316.489 3.542 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000373162734 1028964092 /nfs/dbraw/zinc/96/40/92/1028964092.db2.gz DKIZDIBZKWAGPT-PKOBYXMFSA-N 1 3 316.489 3.617 20 0 DHADHO CC(C)(C)[NH+]1CCC(N[C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000373162734 1028964102 /nfs/dbraw/zinc/96/41/02/1028964102.db2.gz DKIZDIBZKWAGPT-PKOBYXMFSA-N 1 3 316.489 3.617 20 0 DHADHO CCO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449760904 1028965757 /nfs/dbraw/zinc/96/57/57/1028965757.db2.gz SIVRWAMQEHOXCD-GSEOLPGOSA-N 1 3 322.537 3.967 20 0 DHADHO CCO[C@@H]1CCCC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449760904 1028965771 /nfs/dbraw/zinc/96/57/71/1028965771.db2.gz SIVRWAMQEHOXCD-GSEOLPGOSA-N 1 3 322.537 3.967 20 0 DHADHO CCO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449751736 1028973614 /nfs/dbraw/zinc/97/36/14/1028973614.db2.gz AKMIITPDBYKNEL-GDAAHCPNSA-N 1 3 308.510 3.577 20 0 DHADHO CCO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449751739 1028975808 /nfs/dbraw/zinc/97/58/08/1028975808.db2.gz AKMIITPDBYKNEL-QXCFHYIPSA-N 1 3 308.510 3.577 20 0 DHADHO CC1(C)CCC(O)(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000568274777 1029038240 /nfs/dbraw/zinc/03/82/40/1029038240.db2.gz HDXYRQYYXKMSJW-UHFFFAOYSA-N 1 3 322.537 3.704 20 0 DHADHO CC1(C)CCC(O)(CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000568274777 1029038256 /nfs/dbraw/zinc/03/82/56/1029038256.db2.gz HDXYRQYYXKMSJW-UHFFFAOYSA-N 1 3 322.537 3.704 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000568933615 1029147195 /nfs/dbraw/zinc/14/71/95/1029147195.db2.gz YFVISPBXRMZKIO-ICXUMSERSA-N 1 3 322.443 3.921 20 0 DHADHO CC(C)(C)c1ccc([C@H](O)C[NH2+][C@H]2C[C@H](N)c3ccccc32)cc1 ZINC000817894703 1029268447 /nfs/dbraw/zinc/26/84/47/1029268447.db2.gz QAJXOJMYFNFZTL-SLFFLAALSA-N 1 3 324.468 3.752 20 0 DHADHO N[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)c2ccccc21 ZINC000817895615 1029270405 /nfs/dbraw/zinc/27/04/05/1029270405.db2.gz ZJSBZRYVJXCZIR-QHAWAJNXSA-N 1 3 322.452 3.889 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000817905766 1029272141 /nfs/dbraw/zinc/27/21/41/1029272141.db2.gz SUAQWYKSUSKYMN-LVFSCSRESA-N 1 3 322.468 3.538 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccc3sccc3c2)[C@@H]2CCC[C@H]21 ZINC000569892577 1029282623 /nfs/dbraw/zinc/28/26/23/1029282623.db2.gz PXKJIWUZMVGQTR-YESZJQIVSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccc3sccc3c2)[C@@H]2CCC[C@H]21 ZINC000569892577 1029282630 /nfs/dbraw/zinc/28/26/30/1029282630.db2.gz PXKJIWUZMVGQTR-YESZJQIVSA-N 1 3 300.471 3.864 20 0 DHADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc2ccccc2n1 ZINC000817948401 1029292359 /nfs/dbraw/zinc/29/23/59/1029292359.db2.gz JAVIPUMAJRLCCD-OAHLLOKOSA-N 1 3 305.425 3.587 20 0 DHADHO Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817949963 1029294618 /nfs/dbraw/zinc/29/46/18/1029294618.db2.gz VAABPGKWUHKCLS-CYBMUJFWSA-N 1 3 317.502 3.927 20 0 DHADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(SC(F)F)cc1 ZINC000817970338 1029311059 /nfs/dbraw/zinc/31/10/59/1029311059.db2.gz ROKRABDXPFEAIK-DRZSPHRISA-N 1 3 300.418 3.922 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817978225 1029316489 /nfs/dbraw/zinc/31/64/89/1029316489.db2.gz YROMGNYXWZJOQM-PKFCDNJMSA-N 1 3 300.418 3.704 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629514234 1029353297 /nfs/dbraw/zinc/35/32/97/1029353297.db2.gz LBGNRMHSEDMSDR-GDIGMMSISA-N 1 3 309.457 3.692 20 0 DHADHO CC(C)(C)C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(Cl)cc1 ZINC000629523524 1029356728 /nfs/dbraw/zinc/35/67/28/1029356728.db2.gz HZCQTJRCNGAWQK-INIZCTEOSA-N 1 3 324.896 3.915 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000629546100 1029364440 /nfs/dbraw/zinc/36/44/40/1029364440.db2.gz FRKBSBPJKQKTJZ-XMZIXOGTSA-N 1 3 305.853 3.914 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629547398 1029364999 /nfs/dbraw/zinc/36/49/99/1029364999.db2.gz AFRFLVDYIYBJTM-LLVKDONJSA-N 1 3 315.383 3.622 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170909255 1029407022 /nfs/dbraw/zinc/40/70/22/1029407022.db2.gz SMAGGYJINPYZEQ-ARFHVFGLSA-N 1 3 306.881 3.660 20 0 DHADHO Cc1cccc(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000450740310 1029631039 /nfs/dbraw/zinc/63/10/39/1029631039.db2.gz USRGIODLCNOTFB-LFUKPOHLSA-N 1 3 323.484 3.636 20 0 DHADHO FC1(F)CC(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000450982625 1029758947 /nfs/dbraw/zinc/75/89/47/1029758947.db2.gz MHROYMSBZAYVCK-GOSISDBHSA-N 1 3 320.427 3.630 20 0 DHADHO FC1(F)CC(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000450982625 1029758949 /nfs/dbraw/zinc/75/89/49/1029758949.db2.gz MHROYMSBZAYVCK-GOSISDBHSA-N 1 3 320.427 3.630 20 0 DHADHO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1CCC[NH+]1CCCCC1 ZINC000451139809 1029797111 /nfs/dbraw/zinc/79/71/11/1029797111.db2.gz BDAZLJPFPNIINE-ZNMIVQPWSA-N 1 3 306.416 3.914 20 0 DHADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCC12CCOCC2 ZINC000865778093 1030020895 /nfs/dbraw/zinc/02/08/95/1030020895.db2.gz PUTUQURHWLWJPN-QGZVFWFLSA-N 1 3 320.521 3.580 20 0 DHADHO C[C@@H]1CCc2ccc(F)cc2[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000866368314 1030259203 /nfs/dbraw/zinc/25/92/03/1030259203.db2.gz ZXQXOAMJNYDVDV-GZGNUWPSSA-N 1 3 302.437 3.664 20 0 DHADHO C[C@@H]1CCc2ccc(F)cc2[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000866368314 1030259210 /nfs/dbraw/zinc/25/92/10/1030259210.db2.gz ZXQXOAMJNYDVDV-GZGNUWPSSA-N 1 3 302.437 3.664 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000358052713 1030300884 /nfs/dbraw/zinc/30/08/84/1030300884.db2.gz YQRVGAFZCNAZMH-FCEWJHQRSA-N 1 3 322.468 3.756 20 0 DHADHO OCCC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925204784 1030305862 /nfs/dbraw/zinc/30/58/62/1030305862.db2.gz GQSCXYGXMUKDTN-FXAWDEMLSA-N 1 3 322.537 3.704 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NCCC1CC[NH+](C(C)C)CC1 ZINC000866467440 1030309597 /nfs/dbraw/zinc/30/95/97/1030309597.db2.gz IBCKLKCEPVXTLW-CQSZACIVSA-N 1 3 307.482 3.707 20 0 DHADHO C[C@H](c1ccccn1)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000246165206 1030350017 /nfs/dbraw/zinc/35/00/17/1030350017.db2.gz JCPMWBQINUDCDP-IEBWSBKVSA-N 1 3 309.457 3.597 20 0 DHADHO C[C@H](c1ccccn1)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000246165206 1030350033 /nfs/dbraw/zinc/35/00/33/1030350033.db2.gz JCPMWBQINUDCDP-IEBWSBKVSA-N 1 3 309.457 3.597 20 0 DHADHO C[C@H]([NH3+])[C@H](N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000925536925 1030392864 /nfs/dbraw/zinc/39/28/64/1030392864.db2.gz SXLNUMAOEBNYRS-ATGSNQNLSA-N 1 3 300.368 3.786 20 0 DHADHO CCOCCC1(C[NH2+]C2CCN(CCC(C)C)CC2)CCC1 ZINC000925544486 1030395499 /nfs/dbraw/zinc/39/54/99/1030395499.db2.gz SHXXZNYNVWWMSC-UHFFFAOYSA-N 1 3 310.526 3.683 20 0 DHADHO COc1cc(Cl)ccc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925556314 1030401648 /nfs/dbraw/zinc/40/16/48/1030401648.db2.gz JWJKVEYXCICHCW-QGZVFWFLSA-N 1 3 318.848 3.918 20 0 DHADHO Clc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000533536408 1030422556 /nfs/dbraw/zinc/42/25/56/1030422556.db2.gz LMNUMYSOJXCLKS-YJBOKZPZSA-N 1 3 304.865 3.789 20 0 DHADHO Clc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000533536408 1030422563 /nfs/dbraw/zinc/42/25/63/1030422563.db2.gz LMNUMYSOJXCLKS-YJBOKZPZSA-N 1 3 304.865 3.789 20 0 DHADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000358311320 1030432248 /nfs/dbraw/zinc/43/22/48/1030432248.db2.gz YSNQZHJUHZCYJV-BJJXKVORSA-N 1 3 312.404 3.811 20 0 DHADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000358311320 1030432254 /nfs/dbraw/zinc/43/22/54/1030432254.db2.gz YSNQZHJUHZCYJV-BJJXKVORSA-N 1 3 312.404 3.811 20 0 DHADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC(F)(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925652002 1030439618 /nfs/dbraw/zinc/43/96/18/1030439618.db2.gz ABRSWIYFHGHWPI-RDAAZODKSA-N 1 3 322.855 3.786 20 0 DHADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000925723904 1030464758 /nfs/dbraw/zinc/46/47/58/1030464758.db2.gz DJXIPPDJLJXSJR-VQHPVUNQSA-N 1 3 322.880 3.666 20 0 DHADHO CCSc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000925730343 1030466637 /nfs/dbraw/zinc/46/66/37/1030466637.db2.gz FQDTVDAOTIVJCT-CYBMUJFWSA-N 1 3 315.486 3.812 20 0 DHADHO CCC1([NH3+])CCN([C@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000925757910 1030485088 /nfs/dbraw/zinc/48/50/88/1030485088.db2.gz WGGMQSHIJWLZCK-UONOGXRCSA-N 1 3 317.502 3.992 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(Cl)c1 ZINC000925779167 1030493007 /nfs/dbraw/zinc/49/30/07/1030493007.db2.gz MDDFWPDSURTXPJ-JSGCOSHPSA-N 1 3 302.796 3.626 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(C(F)(F)F)cc1 ZINC000925781143 1030496331 /nfs/dbraw/zinc/49/63/31/1030496331.db2.gz XBYPQUQGCJPOML-GWCFXTLKSA-N 1 3 322.321 3.601 20 0 DHADHO FC1(F)CC[NH2+]C[C@H]1CN[C@@H](c1cccs1)C1CCCC1 ZINC000925787239 1030497565 /nfs/dbraw/zinc/49/75/65/1030497565.db2.gz ZKGCTELREWNFBI-DZGCQCFKSA-N 1 3 314.445 3.814 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000558256198 1030501366 /nfs/dbraw/zinc/50/13/66/1030501366.db2.gz IJVTXSVAONYUCZ-ICUGJSFKSA-N 1 3 320.427 3.530 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000558256198 1030501378 /nfs/dbraw/zinc/50/13/78/1030501378.db2.gz IJVTXSVAONYUCZ-ICUGJSFKSA-N 1 3 320.427 3.530 20 0 DHADHO FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000558256198 1030501385 /nfs/dbraw/zinc/50/13/85/1030501385.db2.gz IJVTXSVAONYUCZ-ICUGJSFKSA-N 1 3 320.427 3.530 20 0 DHADHO c1cnc2ccc(CC[NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)cc2c1 ZINC000925815365 1030508421 /nfs/dbraw/zinc/50/84/21/1030508421.db2.gz XBMRQQILWQMGKA-TZIWHRDSSA-N 1 3 323.484 3.535 20 0 DHADHO N[C@H]1C[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c2ccccc21 ZINC000925838701 1030517075 /nfs/dbraw/zinc/51/70/75/1030517075.db2.gz NPPLSQOWZLKKOL-XMTFNYHQSA-N 1 3 314.379 3.770 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2ccncc2)CC1)CC(C)C ZINC000358734612 1030604372 /nfs/dbraw/zinc/60/43/72/1030604372.db2.gz FIAJRLICDRDCKM-UHFFFAOYSA-N 1 3 303.494 3.662 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2ccncc2)CC1)CC(C)C ZINC000358734612 1030604375 /nfs/dbraw/zinc/60/43/75/1030604375.db2.gz FIAJRLICDRDCKM-UHFFFAOYSA-N 1 3 303.494 3.662 20 0 DHADHO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)s1 ZINC000246478524 1030615282 /nfs/dbraw/zinc/61/52/82/1030615282.db2.gz GLLPNFBGYXSBJG-YJBOKZPZSA-N 1 3 304.503 3.814 20 0 DHADHO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)s1 ZINC000246478524 1030615289 /nfs/dbraw/zinc/61/52/89/1030615289.db2.gz GLLPNFBGYXSBJG-YJBOKZPZSA-N 1 3 304.503 3.814 20 0 DHADHO CC(C)[N@H+](CCCN)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063224 1030619703 /nfs/dbraw/zinc/61/97/03/1030619703.db2.gz MIXGAMROQUHQJM-AWEZNQCLSA-N 1 3 315.288 3.910 20 0 DHADHO CC(C)[N@@H+](CCCN)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063224 1030619713 /nfs/dbraw/zinc/61/97/13/1030619713.db2.gz MIXGAMROQUHQJM-AWEZNQCLSA-N 1 3 315.288 3.910 20 0 DHADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H]1CCCN(C2CCC2)C1 ZINC000926119575 1030624709 /nfs/dbraw/zinc/62/47/09/1030624709.db2.gz MOFZAZVHIFUWLH-PETKQJPQSA-N 1 3 308.535 3.656 20 0 DHADHO C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)[C@H]1CCCN(C2CCC2)C1 ZINC000926120390 1030625064 /nfs/dbraw/zinc/62/50/64/1030625064.db2.gz ZIVVYAIKMMAMDD-JFBVMJNESA-N 1 3 320.521 3.577 20 0 DHADHO CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000926119490 1030625884 /nfs/dbraw/zinc/62/58/84/1030625884.db2.gz KOGHXNPRBVAEBQ-IMBTUZDBSA-N 1 3 310.526 3.559 20 0 DHADHO CSC1(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCC1 ZINC000558567327 1030649714 /nfs/dbraw/zinc/64/97/14/1030649714.db2.gz TYUCPSYWUUFAHQ-KRWDZBQOSA-N 1 3 310.551 3.716 20 0 DHADHO C[C@@H]1C[C@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)CC[N@@H+]1C ZINC000246930155 1030676244 /nfs/dbraw/zinc/67/62/44/1030676244.db2.gz GZTUQFYYDUVMAO-MRRJBJDNSA-N 1 3 324.415 3.738 20 0 DHADHO C[C@@H]1C[C@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)CC[N@H+]1C ZINC000246930155 1030676249 /nfs/dbraw/zinc/67/62/49/1030676249.db2.gz GZTUQFYYDUVMAO-MRRJBJDNSA-N 1 3 324.415 3.738 20 0 DHADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)CC[N@@H+]1C ZINC000246930108 1030677097 /nfs/dbraw/zinc/67/70/97/1030677097.db2.gz GZTUQFYYDUVMAO-IFIJOSMWSA-N 1 3 324.415 3.738 20 0 DHADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)CC[N@H+]1C ZINC000246930108 1030677104 /nfs/dbraw/zinc/67/71/04/1030677104.db2.gz GZTUQFYYDUVMAO-IFIJOSMWSA-N 1 3 324.415 3.738 20 0 DHADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1coc2ccccc21 ZINC000926287416 1030687952 /nfs/dbraw/zinc/68/79/52/1030687952.db2.gz NWAOUKTYWGTUSU-HOTGVXAUSA-N 1 3 316.445 3.584 20 0 DHADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1coc2ccccc21 ZINC000926287416 1030687962 /nfs/dbraw/zinc/68/79/62/1030687962.db2.gz NWAOUKTYWGTUSU-HOTGVXAUSA-N 1 3 316.445 3.584 20 0 DHADHO CC(C)[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000359013494 1030728548 /nfs/dbraw/zinc/72/85/48/1030728548.db2.gz IQHHIDVERBFUGZ-FPOVZHCZSA-N 1 3 323.484 3.890 20 0 DHADHO CC(C)[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000359013494 1030728559 /nfs/dbraw/zinc/72/85/59/1030728559.db2.gz IQHHIDVERBFUGZ-FPOVZHCZSA-N 1 3 323.484 3.890 20 0 DHADHO Cc1cccc([C@H](NCCCC[N@@H+](C)C2CC2)c2ccccn2)c1 ZINC000926557740 1030796941 /nfs/dbraw/zinc/79/69/41/1030796941.db2.gz DQVXBNKVVZLURG-NRFANRHFSA-N 1 3 323.484 3.943 20 0 DHADHO Cc1cccc([C@H](NCCCC[N@H+](C)C2CC2)c2ccccn2)c1 ZINC000926557740 1030796957 /nfs/dbraw/zinc/79/69/57/1030796957.db2.gz DQVXBNKVVZLURG-NRFANRHFSA-N 1 3 323.484 3.943 20 0 DHADHO C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926698320 1030870509 /nfs/dbraw/zinc/87/05/09/1030870509.db2.gz ALZJWUFKUVEUCP-PNHOKKKMSA-N 1 3 310.441 3.577 20 0 DHADHO Cc1ccsc1[C@H](CO)N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925497673 1030924650 /nfs/dbraw/zinc/92/46/50/1030924650.db2.gz YCULDTGTQWLOOF-PBHICJAKSA-N 1 3 318.486 3.502 20 0 DHADHO C[NH+](C)C1(C)CCC(N[C@H]2COCc3cccc(Cl)c32)CC1 ZINC000926798618 1030935375 /nfs/dbraw/zinc/93/53/75/1030935375.db2.gz VYRVTNBMIGBBTM-HQVVEAJESA-N 1 3 322.880 3.764 20 0 DHADHO CCC[N@H+](CCCN(C)C)Cc1cc(F)c(OC)c(Cl)c1 ZINC001143853255 1031020527 /nfs/dbraw/zinc/02/05/27/1031020527.db2.gz ARXORWHIGCVZHO-UHFFFAOYSA-N 1 3 316.848 3.651 20 0 DHADHO CCC[N@@H+](CCCN(C)C)Cc1cc(F)c(OC)c(Cl)c1 ZINC001143853255 1031020541 /nfs/dbraw/zinc/02/05/41/1031020541.db2.gz ARXORWHIGCVZHO-UHFFFAOYSA-N 1 3 316.848 3.651 20 0 DHADHO C[C@]1(C[NH3+])CCN(Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000261878638 1031074449 /nfs/dbraw/zinc/07/44/49/1031074449.db2.gz UJKWYLWMORXLMY-QGZVFWFLSA-N 1 3 304.434 3.725 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000927098283 1031085206 /nfs/dbraw/zinc/08/52/06/1031085206.db2.gz AZZXRTDSTGOUQB-INIZCTEOSA-N 1 3 310.526 3.680 20 0 DHADHO Fc1cccc(-c2ccc(CN[C@H]3CCC[NH2+]CC3)s2)c1 ZINC000666855290 1031420513 /nfs/dbraw/zinc/42/05/13/1031420513.db2.gz KTXQLPIIIUBRPT-HNNXBMFYSA-N 1 3 304.434 3.786 20 0 DHADHO C[C@H](CC[NH2+][C@H](C)c1cccc(O)c1)N(C)Cc1ccccc1 ZINC000379649337 1031426074 /nfs/dbraw/zinc/42/60/74/1031426074.db2.gz ONAOXIUURRVSHY-IAGOWNOFSA-N 1 3 312.457 3.953 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCOc1cccc(C(C)(C)C)c1 ZINC000536870108 1031463309 /nfs/dbraw/zinc/46/33/09/1031463309.db2.gz LHPAJKHIGSPQFW-GPMSIDNRSA-N 1 3 318.505 3.681 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCOc1cccc(C(C)(C)C)c1 ZINC000536870108 1031463315 /nfs/dbraw/zinc/46/33/15/1031463315.db2.gz LHPAJKHIGSPQFW-GPMSIDNRSA-N 1 3 318.505 3.681 20 0 DHADHO COc1ccc2oc([C@H](C)NCC3=CC[N@H+](C)CC3)c(C)c2c1 ZINC000537309251 1031564821 /nfs/dbraw/zinc/56/48/21/1031564821.db2.gz ZZLGRWOOWFMCPB-AWEZNQCLSA-N 1 3 314.429 3.662 20 0 DHADHO COc1ccc2oc([C@H](C)NCC3=CC[N@@H+](C)CC3)c(C)c2c1 ZINC000537309251 1031564838 /nfs/dbraw/zinc/56/48/38/1031564838.db2.gz ZZLGRWOOWFMCPB-AWEZNQCLSA-N 1 3 314.429 3.662 20 0 DHADHO C[N@H+]1CC=C(CNCc2ccccc2OCc2ccccc2)CC1 ZINC000537343003 1031578670 /nfs/dbraw/zinc/57/86/70/1031578670.db2.gz JCEQCURTPSUEGV-UHFFFAOYSA-N 1 3 322.452 3.617 20 0 DHADHO C[N@@H+]1CC=C(CNCc2ccccc2OCc2ccccc2)CC1 ZINC000537343003 1031578679 /nfs/dbraw/zinc/57/86/79/1031578679.db2.gz JCEQCURTPSUEGV-UHFFFAOYSA-N 1 3 322.452 3.617 20 0 DHADHO c1c(CN[C@@H]2CCSc3ccccc32)sc2c1C[NH2+]CC2 ZINC000873211419 1031760334 /nfs/dbraw/zinc/76/03/34/1031760334.db2.gz NFKMBRAMGQAZJG-OAHLLOKOSA-N 1 3 316.495 3.721 20 0 DHADHO C[C@H](NCc1cc2c(s1)CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000873214098 1031760572 /nfs/dbraw/zinc/76/05/72/1031760572.db2.gz XWWQNFZAMWDHFR-NSHDSACASA-N 1 3 306.862 3.898 20 0 DHADHO CC[C@H](NCc1cc2c(s1)CC[NH2+]C2)c1ccccc1OC ZINC000873222916 1031763267 /nfs/dbraw/zinc/76/32/67/1031763267.db2.gz HJGPFAQCOBOOFU-INIZCTEOSA-N 1 3 316.470 3.643 20 0 DHADHO N[C@@H](CC[NH2+]C1CCC(C(F)(F)F)CC1)Cc1ccccc1 ZINC000873234639 1031767871 /nfs/dbraw/zinc/76/78/71/1031767871.db2.gz HHELFRYAJSLRKD-PCKAHOCUSA-N 1 3 314.395 3.657 20 0 DHADHO CCC(CC)(C[NH2+][C@H](C)c1ccc(CN)nc1C)C(F)(F)F ZINC000873247327 1031771916 /nfs/dbraw/zinc/77/19/16/1031771916.db2.gz KXRWJWNKAIDYLT-LLVKDONJSA-N 1 3 317.399 3.868 20 0 DHADHO [NH3+]CCCCCCN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000846224065 1031933606 /nfs/dbraw/zinc/93/36/06/1031933606.db2.gz RRZRNFFLDFAIMC-SFHVURJKSA-N 1 3 317.864 3.933 20 0 DHADHO Cc1ncccc1CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000898255492 1032004639 /nfs/dbraw/zinc/00/46/39/1032004639.db2.gz KEEGNFPFBDRFDR-OXQOHEQNSA-N 1 3 315.505 3.565 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc(Cl)ccc1Cl ZINC000044535423 1032055040 /nfs/dbraw/zinc/05/50/40/1032055040.db2.gz DQPBPMJBEDEFKJ-RYUDHWBXSA-N 1 3 301.261 3.986 20 0 DHADHO C(C1CC1)N1CCC2(C[NH+](C3CCC4(CCCC4)CC3)C2)C1 ZINC001172726900 1033330990 /nfs/dbraw/zinc/33/09/90/1033330990.db2.gz SPLJQSZMFIYFTH-UHFFFAOYSA-N 1 3 302.506 3.907 20 0 DHADHO CC[NH+](CC)CCn1cc(Nc2ccnc(C(C)(C)C)c2)cn1 ZINC001203251902 1033368125 /nfs/dbraw/zinc/36/81/25/1033368125.db2.gz NORYGDUFPIGEEY-UHFFFAOYSA-N 1 3 315.465 3.661 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000477933680 1033373273 /nfs/dbraw/zinc/37/32/73/1033373273.db2.gz UFOYRJKYPXAGQJ-IEBWSBKVSA-N 1 3 316.489 3.617 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877653589 1033397995 /nfs/dbraw/zinc/39/79/95/1033397995.db2.gz OBMRGBFTFAWNKC-LBPRGKRZSA-N 1 3 323.893 3.771 20 0 DHADHO CCc1nc(CN(CC(C)C)CC2CC[NH+](C)CC2)cs1 ZINC000877767562 1033439289 /nfs/dbraw/zinc/43/92/89/1033439289.db2.gz NRRFATDRNZDWGN-UHFFFAOYSA-N 1 3 309.523 3.505 20 0 DHADHO CCCN(CCC[NH3+])[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172874947 1033445398 /nfs/dbraw/zinc/44/53/98/1033445398.db2.gz JMWGGZMHHABKQE-ZDUSSCGKSA-N 1 3 300.899 3.881 20 0 DHADHO CC1(C)C[C@@H](C[NH+]2CCC(N3CCCCC3)CC2)C(C)(C)O1 ZINC000877971914 1033536466 /nfs/dbraw/zinc/53/64/66/1033536466.db2.gz SSWAXQBIMBDZJB-INIZCTEOSA-N 1 3 308.510 3.530 20 0 DHADHO CC1(C)C[C@@H](CN2CCC([NH+]3CCCCC3)CC2)C(C)(C)O1 ZINC000877971914 1033536471 /nfs/dbraw/zinc/53/64/71/1033536471.db2.gz SSWAXQBIMBDZJB-INIZCTEOSA-N 1 3 308.510 3.530 20 0 DHADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2F)[C@H](C)C1 ZINC000153463575 1033577107 /nfs/dbraw/zinc/57/71/07/1033577107.db2.gz MHEQHVPXHYKAQJ-GJYPPUQNSA-N 1 3 322.468 3.613 20 0 DHADHO CN1CC[C@@H]2C[N@@H+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]2C1 ZINC001173687879 1033829322 /nfs/dbraw/zinc/82/93/22/1033829322.db2.gz MTHQKGSYBHOIPI-KQLGTBKOSA-N 1 3 324.512 3.697 20 0 DHADHO CN1CC[C@@H]2C[N@H+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]2C1 ZINC001173687879 1033829329 /nfs/dbraw/zinc/82/93/29/1033829329.db2.gz MTHQKGSYBHOIPI-KQLGTBKOSA-N 1 3 324.512 3.697 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncc1 ZINC000174021409 1033899297 /nfs/dbraw/zinc/89/92/97/1033899297.db2.gz WHMJUMBJZSQVFU-HOTGVXAUSA-N 1 3 315.486 3.706 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccncc1 ZINC000174021409 1033899301 /nfs/dbraw/zinc/89/93/01/1033899301.db2.gz WHMJUMBJZSQVFU-HOTGVXAUSA-N 1 3 315.486 3.706 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncc1 ZINC000174021421 1033900025 /nfs/dbraw/zinc/90/00/25/1033900025.db2.gz WHMJUMBJZSQVFU-CVEARBPZSA-N 1 3 315.486 3.706 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccncc1 ZINC000174021421 1033900038 /nfs/dbraw/zinc/90/00/38/1033900038.db2.gz WHMJUMBJZSQVFU-CVEARBPZSA-N 1 3 315.486 3.706 20 0 DHADHO COc1cccc2c1CC[C@@H]2NCCC[N@H+](C)Cc1ccccc1 ZINC000480158016 1034103901 /nfs/dbraw/zinc/10/39/01/1034103901.db2.gz HQOWHXJFJKRXLE-FQEVSTJZSA-N 1 3 324.468 3.794 20 0 DHADHO COc1cccc2c1CC[C@@H]2NCCC[N@@H+](C)Cc1ccccc1 ZINC000480158016 1034103908 /nfs/dbraw/zinc/10/39/08/1034103908.db2.gz HQOWHXJFJKRXLE-FQEVSTJZSA-N 1 3 324.468 3.794 20 0 DHADHO C[C@H]([NH3+])C1CCN(Cc2cnc(C3CCCCC3)s2)CC1 ZINC000567385881 1034236502 /nfs/dbraw/zinc/23/65/02/1034236502.db2.gz VGLNZSPVJIFKKN-ZDUSSCGKSA-N 1 3 307.507 3.750 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000554888610 1034393741 /nfs/dbraw/zinc/39/37/41/1034393741.db2.gz QUFOOAKBWORUMT-QAPCUYQASA-N 1 3 316.489 3.562 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000554888610 1034393750 /nfs/dbraw/zinc/39/37/50/1034393750.db2.gz QUFOOAKBWORUMT-QAPCUYQASA-N 1 3 316.489 3.562 20 0 DHADHO CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000554981416 1034452279 /nfs/dbraw/zinc/45/22/79/1034452279.db2.gz COLRLFHWBKGCDM-QUCCMNQESA-N 1 3 318.505 3.692 20 0 DHADHO CC(C)CN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCc2cccnc21 ZINC000481344629 1034767596 /nfs/dbraw/zinc/76/75/96/1034767596.db2.gz SRMKWHYMNMNELD-RTBURBONSA-N 1 3 315.505 3.901 20 0 DHADHO CC(C)CN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCc2cccnc21 ZINC000481344629 1034767605 /nfs/dbraw/zinc/76/76/05/1034767605.db2.gz SRMKWHYMNMNELD-RTBURBONSA-N 1 3 315.505 3.901 20 0 DHADHO CCC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000192785192 1034817610 /nfs/dbraw/zinc/81/76/10/1034817610.db2.gz BROUKDBVQSHHBV-FQEVSTJZSA-N 1 3 317.521 3.534 20 0 DHADHO CC(C)[N@@H+](C)CCCN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000481911670 1035033075 /nfs/dbraw/zinc/03/30/75/1035033075.db2.gz GIEXSOAQCBDPRT-AWEZNQCLSA-N 1 3 316.411 3.956 20 0 DHADHO CC(C)[N@H+](C)CCCN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000481911670 1035033082 /nfs/dbraw/zinc/03/30/82/1035033082.db2.gz GIEXSOAQCBDPRT-AWEZNQCLSA-N 1 3 316.411 3.956 20 0 DHADHO CC(C)N(C)CCC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000481911670 1035033089 /nfs/dbraw/zinc/03/30/89/1035033089.db2.gz GIEXSOAQCBDPRT-AWEZNQCLSA-N 1 3 316.411 3.956 20 0 DHADHO C[C@H]1CN(CCSC2CCCCC2)CCN1c1cc[nH+]cc1 ZINC001175775724 1035117895 /nfs/dbraw/zinc/11/78/95/1035117895.db2.gz UGNWGYRBSYNAMJ-INIZCTEOSA-N 1 3 319.518 3.658 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000668159539 1035198753 /nfs/dbraw/zinc/19/87/53/1035198753.db2.gz ZFIWETAORRWYFU-SJLPKXTDSA-N 1 3 308.897 3.981 20 0 DHADHO C[C@H](NCc1ccc(F)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000924784706 1035252094 /nfs/dbraw/zinc/25/20/94/1035252094.db2.gz YQMDEFUJYNNZTI-ZDUSSCGKSA-N 1 3 304.384 3.877 20 0 DHADHO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CCCN2CCCCC2)C1 ZINC000483425720 1035268217 /nfs/dbraw/zinc/26/82/17/1035268217.db2.gz ZECZGEJBTMBXBO-LJQANCHMSA-N 1 3 304.453 3.665 20 0 DHADHO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CCCN2CCCCC2)C1 ZINC000483425720 1035268222 /nfs/dbraw/zinc/26/82/22/1035268222.db2.gz ZECZGEJBTMBXBO-LJQANCHMSA-N 1 3 304.453 3.665 20 0 DHADHO COC[C@@H](NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000484142317 1035319949 /nfs/dbraw/zinc/31/99/49/1035319949.db2.gz ZJURRJMOEQQARS-VQIMIIECSA-N 1 3 316.489 3.665 20 0 DHADHO C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cc([O-])cc(Cl)c2)C1 ZINC001177298849 1035361340 /nfs/dbraw/zinc/36/13/40/1035361340.db2.gz GLEVPIWJELCNJD-CQSZACIVSA-N 1 3 310.869 3.647 20 0 DHADHO C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc([O-])cc(Cl)c2)C1 ZINC001177298849 1035361343 /nfs/dbraw/zinc/36/13/43/1035361343.db2.gz GLEVPIWJELCNJD-CQSZACIVSA-N 1 3 310.869 3.647 20 0 DHADHO CC(C)Cc1ncc(CN2CCC(C(C)(C)C[NH3+])CC2)s1 ZINC000904443435 1035416010 /nfs/dbraw/zinc/41/60/10/1035416010.db2.gz JRSJLSODGWRIRZ-UHFFFAOYSA-N 1 3 309.523 3.539 20 0 DHADHO CC(C)(C)c1ncc(CN2CCC(C(C)(C)C[NH3+])CC2)s1 ZINC000904444058 1035416190 /nfs/dbraw/zinc/41/61/90/1035416190.db2.gz NXQBAXGLYTYYBU-UHFFFAOYSA-N 1 3 309.523 3.638 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1)CN(C)C ZINC000813876951 1035452720 /nfs/dbraw/zinc/45/27/20/1035452720.db2.gz FIOSUHIZRSMNPL-NEPJUHHUSA-N 1 3 302.434 3.850 20 0 DHADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001179830331 1035510050 /nfs/dbraw/zinc/51/00/50/1035510050.db2.gz OWMCWPXKEWUCJU-AEFFLSMTSA-N 1 3 318.505 3.653 20 0 DHADHO C[C@]1(CN2CC[C@H](C[NH+]3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC001179878401 1035528314 /nfs/dbraw/zinc/52/83/14/1035528314.db2.gz PNPTUWNXANKSEF-HMXCVIKNSA-N 1 3 312.501 3.988 20 0 DHADHO C[C@]1(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC001179878401 1035528318 /nfs/dbraw/zinc/52/83/18/1035528318.db2.gz PNPTUWNXANKSEF-HMXCVIKNSA-N 1 3 312.501 3.988 20 0 DHADHO C[C@]1(C[N@H+]2CC[C@H](CN3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC001179878401 1035528327 /nfs/dbraw/zinc/52/83/27/1035528327.db2.gz PNPTUWNXANKSEF-HMXCVIKNSA-N 1 3 312.501 3.988 20 0 DHADHO COCc1c(C)cc(C)c(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC001180091821 1035576058 /nfs/dbraw/zinc/57/60/58/1035576058.db2.gz GSNXXXRJZYAIAU-SJLPKXTDSA-N 1 3 318.505 3.673 20 0 DHADHO COCc1c(C)cc(C)c(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC001180091821 1035576065 /nfs/dbraw/zinc/57/60/65/1035576065.db2.gz GSNXXXRJZYAIAU-SJLPKXTDSA-N 1 3 318.505 3.673 20 0 DHADHO Cc1ncsc1CCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC001193252696 1035596508 /nfs/dbraw/zinc/59/65/08/1035596508.db2.gz ZSBZWDLZSRSEOA-GOEBONIOSA-N 1 3 321.534 3.627 20 0 DHADHO Cc1c([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cnn1C(C)C ZINC000191130079 1035661500 /nfs/dbraw/zinc/66/15/00/1035661500.db2.gz WKEDKYXVZYTCKP-HNNXBMFYSA-N 1 3 314.477 3.685 20 0 DHADHO C[C@H](CC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)N1CCCCC1 ZINC001180812439 1035771073 /nfs/dbraw/zinc/77/10/73/1035771073.db2.gz ZTVSRQPRKNGLMU-ZACQAIPSSA-N 1 3 310.526 3.823 20 0 DHADHO CCCN1CCN(c2ccccc2C[N@H+](CC)C2CCC2)CC1 ZINC000539821293 1035873202 /nfs/dbraw/zinc/87/32/02/1035873202.db2.gz PQIWEKVYZPZZAX-UHFFFAOYSA-N 1 3 315.505 3.593 20 0 DHADHO CCCN1CCN(c2ccccc2C[N@@H+](CC)C2CCC2)CC1 ZINC000539821293 1035873217 /nfs/dbraw/zinc/87/32/17/1035873217.db2.gz PQIWEKVYZPZZAX-UHFFFAOYSA-N 1 3 315.505 3.593 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCOc1ccccc1C(C)(C)C ZINC000540177627 1036002436 /nfs/dbraw/zinc/00/24/36/1036002436.db2.gz PXNXMEGBWBFZTF-RYRKJORJSA-N 1 3 318.505 3.681 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCOc1ccccc1C(C)(C)C ZINC000540177627 1036002457 /nfs/dbraw/zinc/00/24/57/1036002457.db2.gz PXNXMEGBWBFZTF-RYRKJORJSA-N 1 3 318.505 3.681 20 0 DHADHO Cc1cc([C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)ccc1F ZINC000540261976 1036026795 /nfs/dbraw/zinc/02/67/95/1036026795.db2.gz UPIQQPCPEPXDJC-AUUYWEPGSA-N 1 3 302.437 3.659 20 0 DHADHO Cc1cc([C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CC2)ccc1F ZINC000540261976 1036026816 /nfs/dbraw/zinc/02/68/16/1036026816.db2.gz UPIQQPCPEPXDJC-AUUYWEPGSA-N 1 3 302.437 3.659 20 0 DHADHO Cc1ccc([C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)C2CCCC2)o1 ZINC000540474587 1036079331 /nfs/dbraw/zinc/07/93/31/1036079331.db2.gz CEBYSSHXYCYWJS-HNAYVOBHSA-N 1 3 302.462 3.893 20 0 DHADHO CCOc1ccc(CN2CCC(C[NH+](CC)CC)CC2)cc1F ZINC000495076973 1036224841 /nfs/dbraw/zinc/22/48/41/1036224841.db2.gz BSZMHXPWSCTXCH-UHFFFAOYSA-N 1 3 322.468 3.778 20 0 DHADHO c1ccc2c(c1)CC[C@H](C[N@H+]1CC[C@H](CN3CCCCC3)C1)C2 ZINC000541059061 1036226661 /nfs/dbraw/zinc/22/66/61/1036226661.db2.gz BTZYSPIOPHYCHW-RBUKOAKNSA-N 1 3 312.501 3.599 20 0 DHADHO c1ccc2c(c1)CC[C@H](C[N@@H+]1CC[C@H](CN3CCCCC3)C1)C2 ZINC000541059061 1036226675 /nfs/dbraw/zinc/22/66/75/1036226675.db2.gz BTZYSPIOPHYCHW-RBUKOAKNSA-N 1 3 312.501 3.599 20 0 DHADHO CCCC[N@H+](CCCN(CC)CC)[C@@H]1CCc2ncsc2C1 ZINC001195778291 1036343413 /nfs/dbraw/zinc/34/34/13/1036343413.db2.gz RJGSFDBNFJOIFG-MRXNPFEDSA-N 1 3 323.550 3.834 20 0 DHADHO CCCC[N@@H+](CCCN(CC)CC)[C@@H]1CCc2ncsc2C1 ZINC001195778291 1036343432 /nfs/dbraw/zinc/34/34/32/1036343432.db2.gz RJGSFDBNFJOIFG-MRXNPFEDSA-N 1 3 323.550 3.834 20 0 DHADHO CCCCN(CCC[NH+](CC)CC)[C@@H]1CCc2ncsc2C1 ZINC001195778291 1036343443 /nfs/dbraw/zinc/34/34/43/1036343443.db2.gz RJGSFDBNFJOIFG-MRXNPFEDSA-N 1 3 323.550 3.834 20 0 DHADHO C[C@H](Cc1ccccc1)C[NH+]1CCC(N2CCCCC2)CC1 ZINC000541588991 1036380299 /nfs/dbraw/zinc/38/02/99/1036380299.db2.gz SZMGMQHIKKNRKF-GOSISDBHSA-N 1 3 300.490 3.816 20 0 DHADHO C[C@@H](Cc1ccccc1)C[NH+]1CCC(N2CCCCC2)CC1 ZINC000541588992 1036381353 /nfs/dbraw/zinc/38/13/53/1036381353.db2.gz SZMGMQHIKKNRKF-SFHVURJKSA-N 1 3 300.490 3.816 20 0 DHADHO Fc1ccc(/C=C/C[NH2+]C2CCN(C3CCC3)CC2)c(F)c1 ZINC000541772868 1036428792 /nfs/dbraw/zinc/42/87/92/1036428792.db2.gz LGUQYTOHAUTINU-NSCUHMNNSA-N 1 3 306.400 3.585 20 0 DHADHO COc1ccc(C2CCC([NH2+]CC[C@@H](C)N(C)C)CC2)cc1 ZINC001183104631 1036523787 /nfs/dbraw/zinc/52/37/87/1036523787.db2.gz VZZKMQDACCZUKA-KLHKWILBSA-N 1 3 304.478 3.651 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000495421060 1036634780 /nfs/dbraw/zinc/63/47/80/1036634780.db2.gz NMEWJWXDJHICAG-NXHRZFHOSA-N 1 3 322.537 3.965 20 0 DHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC/C=C\c2ccncc2)CC1 ZINC000487281673 1036636585 /nfs/dbraw/zinc/63/65/85/1036636585.db2.gz YRNWSIURVWGHIQ-OOFWQKGWSA-N 1 3 321.468 3.910 20 0 DHADHO C[C@H]([NH2+]C/C=C\c1ccncc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000487566654 1036685738 /nfs/dbraw/zinc/68/57/38/1036685738.db2.gz WQPCUSJSIDOXCZ-KWBXCNMKSA-N 1 3 321.468 3.595 20 0 DHADHO CC(C)CN1CCC([NH2+]C[C@@H](C)CCc2ccccc2)CC1 ZINC001199144226 1037205195 /nfs/dbraw/zinc/20/51/95/1037205195.db2.gz OOMXIFQRAONRKU-SFHVURJKSA-N 1 3 302.506 3.965 20 0 DHADHO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000310292523 1037226473 /nfs/dbraw/zinc/22/64/73/1037226473.db2.gz ZOEKFGVOVCHCGD-YLJYHZDGSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000177316221 1037227206 /nfs/dbraw/zinc/22/72/06/1037227206.db2.gz TTXYRHQZAQACMT-CQSZACIVSA-N 1 3 306.881 3.940 20 0 DHADHO CCCC[NH+]1CCC(N(C)[C@H](C)Cc2cccc(F)c2)CC1 ZINC001168502037 1037274290 /nfs/dbraw/zinc/27/42/90/1037274290.db2.gz RNFPBJKZODKJEO-MRXNPFEDSA-N 1 3 306.469 3.953 20 0 DHADHO CC(C)[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC001199923732 1037373385 /nfs/dbraw/zinc/37/33/85/1037373385.db2.gz AGZBSDNZVXNTFM-UXHICEINSA-N 1 3 322.537 3.824 20 0 DHADHO CC1(C)CC(NC2CC(OCc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000493917363 1037590234 /nfs/dbraw/zinc/59/02/34/1037590234.db2.gz QOFUYZPQDOSKPR-UHFFFAOYSA-N 1 3 316.489 3.633 20 0 DHADHO CC[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000490178272 1037629230 /nfs/dbraw/zinc/62/92/30/1037629230.db2.gz KWQWNUOUQVDGOD-RDJZCZTQSA-N 1 3 307.457 3.916 20 0 DHADHO CC[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000490178272 1037629239 /nfs/dbraw/zinc/62/92/39/1037629239.db2.gz KWQWNUOUQVDGOD-RDJZCZTQSA-N 1 3 307.457 3.916 20 0 DHADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(C[C@@H](C)CCC=C(C)C)CC1 ZINC001201492208 1037713207 /nfs/dbraw/zinc/71/32/07/1037713207.db2.gz YGBXIWQTZALTGH-AZUAARDMSA-N 1 3 322.537 3.944 20 0 DHADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(C[C@@H](C)CCC=C(C)C)CC1 ZINC001201492208 1037713226 /nfs/dbraw/zinc/71/32/26/1037713226.db2.gz YGBXIWQTZALTGH-AZUAARDMSA-N 1 3 322.537 3.944 20 0 DHADHO Cc1cc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc[nH+]1 ZINC001201470730 1037734767 /nfs/dbraw/zinc/73/47/67/1037734767.db2.gz VYHLDOFFBYKIOT-UXHICEINSA-N 1 3 305.425 3.545 20 0 DHADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000037197245 1037770177 /nfs/dbraw/zinc/77/01/77/1037770177.db2.gz RGOSZZJIEWNRGO-LBPRGKRZSA-N 1 3 311.539 3.987 20 0 DHADHO C[C@H](C[NH2+]C1CC(c2cccc(Cl)c2)C1)CN1CCCC1 ZINC000062078492 1037845257 /nfs/dbraw/zinc/84/52/57/1037845257.db2.gz YREBWSKEYCPJJR-MXWWQKGMSA-N 1 3 306.881 3.908 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000124159410 1037883493 /nfs/dbraw/zinc/88/34/93/1037883493.db2.gz RHHLMWHVYRADMP-HOTGVXAUSA-N 1 3 312.457 3.841 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000124159410 1037883523 /nfs/dbraw/zinc/88/35/23/1037883523.db2.gz RHHLMWHVYRADMP-HOTGVXAUSA-N 1 3 312.457 3.841 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000124159410 1037883543 /nfs/dbraw/zinc/88/35/43/1037883543.db2.gz RHHLMWHVYRADMP-HOTGVXAUSA-N 1 3 312.457 3.841 20 0 DHADHO C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000186330655 1037890771 /nfs/dbraw/zinc/89/07/71/1037890771.db2.gz NBAWZKYTDJFAPP-VQIMIIECSA-N 1 3 317.521 3.530 20 0 DHADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)[C@H](C)C2 ZINC000491057836 1037900062 /nfs/dbraw/zinc/90/00/62/1037900062.db2.gz XCZRZUQKCDJBAR-FUHIMQAGSA-N 1 3 300.490 3.938 20 0 DHADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@@H+](C(C)C)C1)[C@H](C)C2 ZINC000491057836 1037900070 /nfs/dbraw/zinc/90/00/70/1037900070.db2.gz XCZRZUQKCDJBAR-FUHIMQAGSA-N 1 3 300.490 3.938 20 0 DHADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)[C@H](C)C2 ZINC000491057836 1037900094 /nfs/dbraw/zinc/90/00/94/1037900094.db2.gz XCZRZUQKCDJBAR-FUHIMQAGSA-N 1 3 300.490 3.938 20 0 DHADHO COc1ccccc1C[C@@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000125040863 1037917849 /nfs/dbraw/zinc/91/78/49/1037917849.db2.gz AURHEWJNUPZHBF-IBGZPJMESA-N 1 3 316.489 3.578 20 0 DHADHO COc1ccc([C@H](C)[NH2+]CC(C)C)cc1CN1CCCCC1 ZINC000775364292 1038277491 /nfs/dbraw/zinc/27/74/91/1038277491.db2.gz RLHLLEWQDCIKNC-INIZCTEOSA-N 1 3 304.478 3.988 20 0 DHADHO [NH3+]C[C@@]1(F)CCCN(CCc2c(Cl)cccc2Cl)CC1 ZINC001205546229 1038414438 /nfs/dbraw/zinc/41/44/38/1038414438.db2.gz SGGLBSYXTCLOTH-OAHLLOKOSA-N 1 3 319.251 3.689 20 0 DHADHO CCC(CC)[C@H](C[NH2+]Cc1ccc2[nH]cnc2c1)N1CCCC1 ZINC000589640776 1038527176 /nfs/dbraw/zinc/52/71/76/1038527176.db2.gz WSHYVSRHQNJWJQ-IBGZPJMESA-N 1 3 314.477 3.553 20 0 DHADHO C[C@H]1CCN(Cc2cc(F)ccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205616898 1038720895 /nfs/dbraw/zinc/72/08/95/1038720895.db2.gz HLRQCCAUOLTYCC-RYUDHWBXSA-N 1 3 318.358 3.651 20 0 DHADHO CCc1ccc(CCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447697 1039887122 /nfs/dbraw/zinc/88/71/22/1039887122.db2.gz OHJZHOQNRLHNBW-HXUWFJFHSA-N 1 3 300.490 3.742 20 0 DHADHO C[NH+](C)CCCCNCc1cc(Cl)ccc1Br ZINC000090251185 185288146 /nfs/dbraw/zinc/28/81/46/185288146.db2.gz AEGQUOZZTDAYHY-UHFFFAOYSA-N 1 3 319.674 3.534 20 0 DHADHO C[NH+](C)CCOc1cccc(CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000091287607 193030857 /nfs/dbraw/zinc/03/08/57/193030857.db2.gz SCIUJIUDOHENQO-NRFANRHFSA-N 1 3 324.468 3.868 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(C)ccc1OC ZINC000093397062 193243212 /nfs/dbraw/zinc/24/32/12/193243212.db2.gz ITEXAFWVUJTAAO-QAPCUYQASA-N 1 3 302.462 3.529 20 0 DHADHO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000272419439 130028712 /nfs/dbraw/zinc/02/87/12/130028712.db2.gz NDPPRECNYMVEOL-MZADTFQBSA-N 1 3 321.468 3.675 20 0 DHADHO Cc1cncc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000274419162 130234683 /nfs/dbraw/zinc/23/46/83/130234683.db2.gz TWMXLHHSTSIGGM-HBFSDRIKSA-N 1 3 323.484 3.951 20 0 DHADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(Cl)cn1 ZINC000274972638 130278364 /nfs/dbraw/zinc/27/83/64/130278364.db2.gz YFDLWVRFXAWJHM-LSDHHAIUSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(Cl)cn1 ZINC000274972638 130278365 /nfs/dbraw/zinc/27/83/65/130278365.db2.gz YFDLWVRFXAWJHM-LSDHHAIUSA-N 1 3 309.885 3.898 20 0 DHADHO CC1CC[NH+](Cc2ccccc2CN[C@H]2CCOC2(C)C)CC1 ZINC000340185574 131020278 /nfs/dbraw/zinc/02/02/78/131020278.db2.gz SFFFDWJGJOUYAH-IBGZPJMESA-N 1 3 316.489 3.576 20 0 DHADHO C[NH+]1CCC(Oc2ccc(CNCc3cccs3)cc2)CC1 ZINC000284013192 131041276 /nfs/dbraw/zinc/04/12/76/131041276.db2.gz NDNQARGPUCDXCT-UHFFFAOYSA-N 1 3 316.470 3.511 20 0 DHADHO CN(CCCSCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285453475 131169471 /nfs/dbraw/zinc/16/94/71/131169471.db2.gz JFZAVSQLAPUNQX-DFNIBXOVSA-N 1 3 318.530 3.867 20 0 DHADHO CN(CCCSCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285453475 131169474 /nfs/dbraw/zinc/16/94/74/131169474.db2.gz JFZAVSQLAPUNQX-DFNIBXOVSA-N 1 3 318.530 3.867 20 0 DHADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccc(C[NH3+])cc1)CCCO2 ZINC000521045601 331607837 /nfs/dbraw/zinc/60/78/37/331607837.db2.gz XZHJMANIHLMETG-LJQANCHMSA-N 1 3 310.441 3.766 20 0 DHADHO CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000531104902 332263901 /nfs/dbraw/zinc/26/39/01/332263901.db2.gz RAJUBJPURLMPNG-YJBOKZPZSA-N 1 3 324.896 3.834 20 0 DHADHO C[NH2+]CCC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000262110988 332285323 /nfs/dbraw/zinc/28/53/23/332285323.db2.gz JTKFNTVJBOKNAO-UHFFFAOYSA-N 1 3 317.864 3.710 20 0 DHADHO CN(Cc1ccsc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000529527404 335101559 /nfs/dbraw/zinc/10/15/59/335101559.db2.gz BYCFRPDEQJRIIF-UHFFFAOYSA-N 1 3 306.397 3.541 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCc2cccnc2)CC1 ZINC000177869561 333132791 /nfs/dbraw/zinc/13/27/91/333132791.db2.gz PMIZZUVJNYMUHJ-GOSISDBHSA-N 1 3 315.505 3.601 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCc2cccnc2)CC1 ZINC000177869561 333132792 /nfs/dbraw/zinc/13/27/92/333132792.db2.gz PMIZZUVJNYMUHJ-GOSISDBHSA-N 1 3 315.505 3.601 20 0 DHADHO CC[C@@H](NCc1cccc(C[N@H+](C)C(C)C)c1)c1cnn(C)c1 ZINC000177976706 333133639 /nfs/dbraw/zinc/13/36/39/333133639.db2.gz BKTWCBOPJGRSHO-LJQANCHMSA-N 1 3 314.477 3.501 20 0 DHADHO CC[C@@H](NCc1cccc(C[N@@H+](C)C(C)C)c1)c1cnn(C)c1 ZINC000177976706 333133640 /nfs/dbraw/zinc/13/36/40/333133640.db2.gz BKTWCBOPJGRSHO-LJQANCHMSA-N 1 3 314.477 3.501 20 0 DHADHO CCCN1CCC([N@H+](C)C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000582029287 333173924 /nfs/dbraw/zinc/17/39/24/333173924.db2.gz KYQJUDRKZHHRFU-PLNGDYQASA-N 1 3 308.416 3.784 20 0 DHADHO CCCN1CCC([N@@H+](C)C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000582029287 333173926 /nfs/dbraw/zinc/17/39/26/333173926.db2.gz KYQJUDRKZHHRFU-PLNGDYQASA-N 1 3 308.416 3.784 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C/C=C\c1ccc(F)cc1F)C2 ZINC000582030388 333174738 /nfs/dbraw/zinc/17/47/38/333174738.db2.gz OYXCRGFAPQZFDK-ULCCAKMGSA-N 1 3 306.400 3.535 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C/C=C\c1ccc(F)cc1F)C2 ZINC000582030388 333174740 /nfs/dbraw/zinc/17/47/40/333174740.db2.gz OYXCRGFAPQZFDK-ULCCAKMGSA-N 1 3 306.400 3.535 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2ncccc2C)CC1 ZINC000182738610 333179898 /nfs/dbraw/zinc/17/98/98/333179898.db2.gz QDWKXDNEQRQAHX-UHFFFAOYSA-N 1 3 303.494 3.724 20 0 DHADHO c1ccc(CN2CCCC[C@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000309827025 333201224 /nfs/dbraw/zinc/20/12/24/333201224.db2.gz FDASZIPOSLXFOZ-MOPGFXCFSA-N 1 3 318.530 3.631 20 0 DHADHO c1ccc(CN2CCCC[C@@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000309827029 333201328 /nfs/dbraw/zinc/20/13/28/333201328.db2.gz FDASZIPOSLXFOZ-RBUKOAKNSA-N 1 3 318.530 3.631 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCCCCOCc2ccccc2)c2ccccc21 ZINC000390598213 333304572 /nfs/dbraw/zinc/30/45/72/333304572.db2.gz UYVOHSHXCQGMGG-WOJBJXKFSA-N 1 3 310.441 3.718 20 0 DHADHO CCSCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000390768841 333391743 /nfs/dbraw/zinc/39/17/43/333391743.db2.gz JWIRHCKXIOOYCO-GUDVDZBRSA-N 1 3 318.530 3.630 20 0 DHADHO CCc1cccc(C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000563252596 333512171 /nfs/dbraw/zinc/51/21/71/333512171.db2.gz SPWLFKCWVORHSC-UHFFFAOYSA-N 1 3 309.457 3.650 20 0 DHADHO Cc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1C(F)(F)F ZINC000414372730 333947947 /nfs/dbraw/zinc/94/79/47/333947947.db2.gz QLYGGPZJGAMZKE-UHFFFAOYSA-N 1 3 314.395 3.787 20 0 DHADHO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000414539980 334012990 /nfs/dbraw/zinc/01/29/90/334012990.db2.gz SZLKLRLQLOHTJQ-ZWKOTPCHSA-N 1 3 301.478 3.855 20 0 DHADHO Cc1cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414663543 334061939 /nfs/dbraw/zinc/06/19/39/334061939.db2.gz SKGUPDOZVFGRAK-GXTWGEPZSA-N 1 3 300.368 3.573 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000343531776 335175573 /nfs/dbraw/zinc/17/55/73/335175573.db2.gz OGSYIPSOWXKMGI-PDOICOKGSA-N 1 3 316.489 3.714 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CNCc2cccc(OC(F)F)c2)cc1 ZINC000414801953 334103268 /nfs/dbraw/zinc/10/32/68/334103268.db2.gz AUZSYODLPZGKDY-GFCCVEGCSA-N 1 3 306.356 3.598 20 0 DHADHO Cc1nc2ccc(CNCc3ccc([C@@H](C)[NH3+])cc3)cc2s1 ZINC000414808193 334104231 /nfs/dbraw/zinc/10/42/31/334104231.db2.gz DQWQOEZVMNYOIA-GFCCVEGCSA-N 1 3 311.454 3.914 20 0 DHADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414813561 334106113 /nfs/dbraw/zinc/10/61/13/334106113.db2.gz UADMZVURHUNMHC-HNNXBMFYSA-N 1 3 319.493 3.634 20 0 DHADHO Cc1ccc(-c2n[nH]cc2CNCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414815644 334106756 /nfs/dbraw/zinc/10/67/56/334106756.db2.gz XWUAZSNLJIYKKM-HNNXBMFYSA-N 1 3 320.440 3.695 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CNCc2cccc(OC(F)(F)F)c2)cc1 ZINC000414815860 334106789 /nfs/dbraw/zinc/10/67/89/334106789.db2.gz YOMZRMUZYOGMDG-GFCCVEGCSA-N 1 3 324.346 3.895 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000414827961 334109947 /nfs/dbraw/zinc/10/99/47/334109947.db2.gz LHTFXPBACVISNX-UXPWSPDFSA-N 1 3 316.489 3.699 20 0 DHADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)[C@H]1CCCNC1 ZINC000414853570 334127229 /nfs/dbraw/zinc/12/72/29/334127229.db2.gz LBTWPHBOECPVPM-DLRXZHIHSA-N 1 3 300.490 3.937 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414854978 334128065 /nfs/dbraw/zinc/12/80/65/334128065.db2.gz MMBPGYITWCADGQ-NFAWXSAZSA-N 1 3 314.395 3.614 20 0 DHADHO COc1ccc(CC[C@@H](C)NCC2([NH3+])CCCCCC2)cc1 ZINC000414856481 334129652 /nfs/dbraw/zinc/12/96/52/334129652.db2.gz ALGAOFLEANKUHZ-MRXNPFEDSA-N 1 3 304.478 3.658 20 0 DHADHO C[C@H](C[NH2+]C[C@@]1(C)CCCNC1)c1ccc(C(F)(F)F)cc1 ZINC000414897990 334161260 /nfs/dbraw/zinc/16/12/60/334161260.db2.gz AOLAOURULKYNRI-CJNGLKHVSA-N 1 3 314.395 3.788 20 0 DHADHO C[C@H](CC[NH3+])NC/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414901330 334164612 /nfs/dbraw/zinc/16/46/12/334164612.db2.gz WXMKTJJCJIOBAM-ZGRWHYIRSA-N 1 3 310.441 3.606 20 0 DHADHO C[C@H](CC[NH3+])NC/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414901177 334164992 /nfs/dbraw/zinc/16/49/92/334164992.db2.gz WXMKTJJCJIOBAM-CTEOGUNLSA-N 1 3 310.441 3.606 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCc2cc(N)ccc21 ZINC000414927788 334189998 /nfs/dbraw/zinc/18/99/98/334189998.db2.gz MLIJTECDHXPNIY-LJHODMEESA-N 1 3 301.478 3.547 20 0 DHADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414931716 334195067 /nfs/dbraw/zinc/19/50/67/334195067.db2.gz BZSRPJHPWBXVHV-IOASZLSFSA-N 1 3 314.395 3.614 20 0 DHADHO CC1([NH2+]Cc2ccc(F)c(-c3cccs3)c2)CCNCC1 ZINC000414948689 334205721 /nfs/dbraw/zinc/20/57/21/334205721.db2.gz YPDPHKDACONVDA-UHFFFAOYSA-N 1 3 304.434 3.786 20 0 DHADHO C[C@H]1CNCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414956033 334208438 /nfs/dbraw/zinc/20/84/38/334208438.db2.gz MULWXRNCJSDJLB-LRDDRELGSA-N 1 3 304.434 3.642 20 0 DHADHO C[C@H]1CNCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414957179 334208883 /nfs/dbraw/zinc/20/88/83/334208883.db2.gz NWSWUUJOYCSYLA-LRDDRELGSA-N 1 3 304.434 3.642 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCCNC1)C(c1ccccc1)c1ccccc1 ZINC000415082302 334273292 /nfs/dbraw/zinc/27/32/92/334273292.db2.gz DDKPCHDXBQDBEA-QZTJIDSGSA-N 1 3 308.469 3.796 20 0 DHADHO C[C@@H](CCCC[NH3+])NCc1c(Cl)cccc1N1CCCC1 ZINC000415020331 334259329 /nfs/dbraw/zinc/25/93/29/334259329.db2.gz XCFQMOYRUWMRAZ-AWEZNQCLSA-N 1 3 309.885 3.547 20 0 DHADHO C[C@H](CCCC[NH3+])NCc1c(Cl)cccc1N1CCCC1 ZINC000415020332 334259365 /nfs/dbraw/zinc/25/93/65/334259365.db2.gz XCFQMOYRUWMRAZ-CQSZACIVSA-N 1 3 309.885 3.547 20 0 DHADHO c1ccc([C@@H]2C[C@H](NCc3cccc4c3CCCN4)CC[NH2+]2)cc1 ZINC000415029100 334260143 /nfs/dbraw/zinc/26/01/43/334260143.db2.gz DECOAYXHONBGKK-NQIIRXRSSA-N 1 3 321.468 3.628 20 0 DHADHO [NH3+]CCC[C@H](NCc1cnc(C2CCC2)s1)c1ccccc1 ZINC000415047707 334261439 /nfs/dbraw/zinc/26/14/39/334261439.db2.gz FNHDBADZUKOXLQ-KRWDZBQOSA-N 1 3 315.486 3.980 20 0 DHADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000415048245 334261475 /nfs/dbraw/zinc/26/14/75/334261475.db2.gz WRKBASRMYAFDTO-CZUORRHYSA-N 1 3 322.880 3.878 20 0 DHADHO c1cncc(-c2cccc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)c1 ZINC000415056985 334261772 /nfs/dbraw/zinc/26/17/72/334261772.db2.gz STSQCKGTLXKORJ-RTWAWAEBSA-N 1 3 321.468 3.713 20 0 DHADHO CC(C)c1ncc(CN[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000415059265 334261971 /nfs/dbraw/zinc/26/19/71/334261971.db2.gz UZQPGOZGRBANCN-MRXNPFEDSA-N 1 3 303.475 3.836 20 0 DHADHO c1c2ccccc2sc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415060184 334262074 /nfs/dbraw/zinc/26/20/74/334262074.db2.gz YJHJRYFRWXLPDQ-WBVHZDCISA-N 1 3 300.471 3.865 20 0 DHADHO CC1(C)Cc2cccc(CN[C@@H](CCC[NH3+])c3ccccc3)c2O1 ZINC000415058172 334262138 /nfs/dbraw/zinc/26/21/38/334262138.db2.gz SXBPXTUHOGUUBQ-IBGZPJMESA-N 1 3 324.468 3.970 20 0 DHADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCCNC1CC1 ZINC000415073570 334265091 /nfs/dbraw/zinc/26/50/91/334265091.db2.gz YUWSWGLGJWOFRR-ZDUSSCGKSA-N 1 3 314.395 3.758 20 0 DHADHO CC(C)COc1ccc(C(C)(C)CNC[C@]2(C)CC[NH2+]C2)cc1 ZINC000415077283 334268568 /nfs/dbraw/zinc/26/85/68/334268568.db2.gz HFRNPTVXLVPXCE-HXUWFJFHSA-N 1 3 318.505 3.588 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000415080908 334271185 /nfs/dbraw/zinc/27/11/85/334271185.db2.gz MIQARLLIXNZITJ-BMGDILEWSA-N 1 3 304.453 3.614 20 0 DHADHO COCC[N@H+](C)CCCN[C@H](C)c1cc2ccccc2s1 ZINC000187763694 334271295 /nfs/dbraw/zinc/27/12/95/334271295.db2.gz YYXHCZGVBOWSDX-CQSZACIVSA-N 1 3 306.475 3.520 20 0 DHADHO COCC[N@@H+](C)CCCN[C@H](C)c1cc2ccccc2s1 ZINC000187763694 334271296 /nfs/dbraw/zinc/27/12/96/334271296.db2.gz YYXHCZGVBOWSDX-CQSZACIVSA-N 1 3 306.475 3.520 20 0 DHADHO CCSc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000534496903 334277837 /nfs/dbraw/zinc/27/78/37/334277837.db2.gz KVMGWOTUFHDFEJ-HUUCEWRRSA-N 1 3 304.503 3.934 20 0 DHADHO CCSc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000534496903 334277838 /nfs/dbraw/zinc/27/78/38/334277838.db2.gz KVMGWOTUFHDFEJ-HUUCEWRRSA-N 1 3 304.503 3.934 20 0 DHADHO Cc1cccc(C)c1OCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415088905 334279601 /nfs/dbraw/zinc/27/96/01/334279601.db2.gz YESCDCLDNNSMQO-OTWHNJEPSA-N 1 3 316.489 3.583 20 0 DHADHO Cc1cccc(C)c1OCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415088902 334279715 /nfs/dbraw/zinc/27/97/15/334279715.db2.gz YESCDCLDNNSMQO-IPMKNSEASA-N 1 3 316.489 3.583 20 0 DHADHO [NH3+]CC1CCC(N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000415090540 334280067 /nfs/dbraw/zinc/28/00/67/334280067.db2.gz XULLVYPRHSFAKR-WDIPEOLASA-N 1 3 318.358 3.926 20 0 DHADHO Fc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000415095056 334281013 /nfs/dbraw/zinc/28/10/13/334281013.db2.gz YSZBBKGNYYKRKX-UAGQMJEPSA-N 1 3 310.844 3.532 20 0 DHADHO C[N@H+](CCCCNCc1ccc(Cl)cc1Cl)C1CC1 ZINC000453594423 334286864 /nfs/dbraw/zinc/28/68/64/334286864.db2.gz IODCABSKHXEFKX-UHFFFAOYSA-N 1 3 301.261 3.957 20 0 DHADHO C[N@@H+](CCCCNCc1ccc(Cl)cc1Cl)C1CC1 ZINC000453594423 334286865 /nfs/dbraw/zinc/28/68/65/334286865.db2.gz IODCABSKHXEFKX-UHFFFAOYSA-N 1 3 301.261 3.957 20 0 DHADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000534660087 334315791 /nfs/dbraw/zinc/31/57/91/334315791.db2.gz RQNHUXBABIAOIX-WMZOPIPTSA-N 1 3 322.880 3.668 20 0 DHADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000534660087 334315792 /nfs/dbraw/zinc/31/57/92/334315792.db2.gz RQNHUXBABIAOIX-WMZOPIPTSA-N 1 3 322.880 3.668 20 0 DHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cccc3c[nH]nc32)c1 ZINC000343802917 335193928 /nfs/dbraw/zinc/19/39/28/335193928.db2.gz FXFLPRCVSALGEM-UHFFFAOYSA-N 1 3 322.456 3.693 20 0 DHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cccc3c[nH]nc32)c1 ZINC000343802917 335193930 /nfs/dbraw/zinc/19/39/30/335193930.db2.gz FXFLPRCVSALGEM-UHFFFAOYSA-N 1 3 322.456 3.693 20 0 DHADHO Cc1cc(C[N@@H+](C)CC[C@H]2CCCCN2C)cc2cccnc12 ZINC000346184842 335379060 /nfs/dbraw/zinc/37/90/60/335379060.db2.gz XTVKGEIITAGAPC-LJQANCHMSA-N 1 3 311.473 3.849 20 0 DHADHO Cc1cc(C[N@H+](C)CC[C@H]2CCCCN2C)cc2cccnc12 ZINC000346184842 335379062 /nfs/dbraw/zinc/37/90/62/335379062.db2.gz XTVKGEIITAGAPC-LJQANCHMSA-N 1 3 311.473 3.849 20 0 DHADHO Cc1cc(CN2CCC(C[NH+]3CCCC3)CC2)cc2cccnc12 ZINC000346142076 335380822 /nfs/dbraw/zinc/38/08/22/335380822.db2.gz OKROELZWNBIDQB-UHFFFAOYSA-N 1 3 323.484 3.851 20 0 DHADHO Cc1cc([C@@H](NCCCC[NH+](C)C)c2cccnc2)ccc1F ZINC000346434733 335407423 /nfs/dbraw/zinc/40/74/23/335407423.db2.gz BQYYAFQTXSHGPA-LJQANCHMSA-N 1 3 315.436 3.550 20 0 DHADHO CSCc1cc(F)ccc1C[NH2+][C@H]1C[C@H](C)N(C)C[C@H]1C ZINC000167116493 336019673 /nfs/dbraw/zinc/01/96/73/336019673.db2.gz IDKQXFMOOKCLLP-IGCXYCKISA-N 1 3 310.482 3.507 20 0 DHADHO Cc1cccnc1[C@H]1CCC[C@@H](NCC2([NH3+])CCCCC2)C1 ZINC000333337860 336202077 /nfs/dbraw/zinc/20/20/77/336202077.db2.gz XKSJMXSTFKSCIG-DLBZAZTESA-N 1 3 301.478 3.667 20 0 DHADHO COc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1Cl ZINC000532454653 336248271 /nfs/dbraw/zinc/24/82/71/336248271.db2.gz JDHAFZRSTRNOHN-AWEZNQCLSA-N 1 3 310.869 3.875 20 0 DHADHO CCCc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)c2ccccc2n1 ZINC000301795744 336330438 /nfs/dbraw/zinc/33/04/38/336330438.db2.gz PVGNNIFLTDIERK-QGZVFWFLSA-N 1 3 307.441 3.638 20 0 DHADHO C[NH+](C)C1CCC(N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000353647422 336431435 /nfs/dbraw/zinc/43/14/35/336431435.db2.gz SARQYKBJWSCNIS-AFMYVXGZSA-N 1 3 309.457 3.633 20 0 DHADHO CCc1noc(C)c1CN1CCC(CCC[NH+](CC)CC)CC1 ZINC000359881936 336691184 /nfs/dbraw/zinc/69/11/84/336691184.db2.gz XIJNJZXDIIDPGA-UHFFFAOYSA-N 1 3 321.509 3.879 20 0 DHADHO C[NH+](C)Cc1ccc(CNCc2cc3ccc(F)cc3[nH]2)cc1 ZINC000362919436 336814822 /nfs/dbraw/zinc/81/48/22/336814822.db2.gz UNLUODXRPIITAF-UHFFFAOYSA-N 1 3 311.404 3.658 20 0 DHADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCC(C)CC2)CC1 ZINC000370305450 336882164 /nfs/dbraw/zinc/88/21/64/336882164.db2.gz KQNLETOVYYOZRM-RZMNMVRNSA-N 1 3 322.537 3.824 20 0 DHADHO C(CCN1CCC[C@H]([NH+]2CCCC2)CC1)CC1CCOCC1 ZINC000375593853 337014136 /nfs/dbraw/zinc/01/41/36/337014136.db2.gz AQIYMBFWKJOOJZ-IBGZPJMESA-N 1 3 308.510 3.534 20 0 DHADHO CN(C)[C@@H]1CCC[N@H+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000376099242 337026916 /nfs/dbraw/zinc/02/69/16/337026916.db2.gz SCKAZDOZRIUSJK-YMAMQOFZSA-N 1 3 306.416 3.771 20 0 DHADHO CN(C)[C@@H]1CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000376099242 337026917 /nfs/dbraw/zinc/02/69/17/337026917.db2.gz SCKAZDOZRIUSJK-YMAMQOFZSA-N 1 3 306.416 3.771 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccc(CO)c1 ZINC000378515301 337074936 /nfs/dbraw/zinc/07/49/36/337074936.db2.gz GKDJXSXVHWAQNY-NDXORKPFSA-N 1 3 324.468 3.523 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cccc(CO)c1 ZINC000378515301 337074937 /nfs/dbraw/zinc/07/49/37/337074937.db2.gz GKDJXSXVHWAQNY-NDXORKPFSA-N 1 3 324.468 3.523 20 0 DHADHO c1cc2cc(CNC[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000393843198 337094104 /nfs/dbraw/zinc/09/41/04/337094104.db2.gz APPARMIYSIZUOL-IBGZPJMESA-N 1 3 319.452 3.780 20 0 DHADHO c1cc2cc(CNC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000393843198 337094105 /nfs/dbraw/zinc/09/41/05/337094105.db2.gz APPARMIYSIZUOL-IBGZPJMESA-N 1 3 319.452 3.780 20 0 DHADHO CCc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c2ccccc2n1 ZINC000582478531 337096342 /nfs/dbraw/zinc/09/63/42/337096342.db2.gz RAENAYYZWQZYPD-DOTOQJQBSA-N 1 3 309.457 3.860 20 0 DHADHO Cc1cc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000178034382 337159994 /nfs/dbraw/zinc/15/99/94/337159994.db2.gz PXHBJUBTPCZTIH-IJEWVQPXSA-N 1 3 324.534 3.905 20 0 DHADHO CCc1nc2c(s1)[C@@H]([NH2+]CCCN1CCCCC1)CCC2 ZINC000178410286 337164449 /nfs/dbraw/zinc/16/44/49/337164449.db2.gz GZHOSOXGVPDCLM-AWEZNQCLSA-N 1 3 307.507 3.549 20 0 DHADHO c1ccc2c(c1)nccc2NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180043996 337173375 /nfs/dbraw/zinc/17/33/75/337173375.db2.gz OMOFIRUNLBXNFU-UHFFFAOYSA-N 1 3 318.424 3.958 20 0 DHADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(-c2ccncc2)cc1 ZINC000180935038 337178646 /nfs/dbraw/zinc/17/86/46/337178646.db2.gz OJZVFAUZVPLRGG-UZLBHIALSA-N 1 3 309.457 3.884 20 0 DHADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccccc2F)s1 ZINC000469866146 337196106 /nfs/dbraw/zinc/19/61/06/337196106.db2.gz XKYKBGCMMLNZOO-STQMWFEESA-N 1 3 304.434 3.723 20 0 DHADHO [NH3+]CC1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000584594168 337373691 /nfs/dbraw/zinc/37/36/91/337373691.db2.gz UCNIZPUCIRIBIL-UHFFFAOYSA-N 1 3 304.821 3.771 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)NC[C@H]1CC[NH2+]C1 ZINC000420406337 337500746 /nfs/dbraw/zinc/50/07/46/337500746.db2.gz NRIWYCKGEUKTGN-IRXDYDNUSA-N 1 3 300.471 3.539 20 0 DHADHO Cc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422698267 337683469 /nfs/dbraw/zinc/68/34/69/337683469.db2.gz YKLVAMGDICPZLF-TZIWHRDSSA-N 1 3 322.452 3.649 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1cccs1 ZINC000422738641 337684664 /nfs/dbraw/zinc/68/46/64/337684664.db2.gz JYRHPINPDNPXHN-LBPRGKRZSA-N 1 3 303.475 3.539 20 0 DHADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422739954 337684702 /nfs/dbraw/zinc/68/47/02/337684702.db2.gz AWEZKFFLFTYVMU-ZAAXVRCTSA-N 1 3 308.425 3.593 20 0 DHADHO Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H](C)C1C[NH2+]C1 ZINC000422754596 337685164 /nfs/dbraw/zinc/68/51/64/337685164.db2.gz FBHTZHMSEBHPON-YOEHRIQHSA-N 1 3 300.471 3.538 20 0 DHADHO Clc1ccc(SCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422772188 337685816 /nfs/dbraw/zinc/68/58/16/337685816.db2.gz RVAGQGGMVYECHQ-BRWVUGGUSA-N 1 3 324.921 3.942 20 0 DHADHO COC[C@@H](N[C@@H](C)CCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422773002 337685913 /nfs/dbraw/zinc/68/59/13/337685913.db2.gz ZZZITFCSZMOYRL-SWLSCSKDSA-N 1 3 318.383 3.500 20 0 DHADHO c1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790992 337686690 /nfs/dbraw/zinc/68/66/90/337686690.db2.gz CSHLVFXQBCSDFQ-ZJOUEHCJSA-N 1 3 320.436 3.519 20 0 DHADHO c1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790990 337686711 /nfs/dbraw/zinc/68/67/11/337686711.db2.gz CSHLVFXQBCSDFQ-IRFCIJBXSA-N 1 3 320.436 3.519 20 0 DHADHO CC[C@H](N[C@@H](C)CCCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422812146 337687762 /nfs/dbraw/zinc/68/77/62/337687762.db2.gz PZUDNTUMOZLXQT-UWVGGRQHSA-N 1 3 309.401 3.720 20 0 DHADHO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000422820394 337688043 /nfs/dbraw/zinc/68/80/43/337688043.db2.gz QJEPSIKNIDBCHJ-FLXSYLCISA-N 1 3 310.551 3.951 20 0 DHADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422890594 337690264 /nfs/dbraw/zinc/69/02/64/337690264.db2.gz SMKHZKGGLLRCJF-UYAOXDASSA-N 1 3 312.457 3.716 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422939234 337692541 /nfs/dbraw/zinc/69/25/41/337692541.db2.gz IAJOFHUUFBTPDI-GXTWGEPZSA-N 1 3 301.261 3.643 20 0 DHADHO COc1cc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])ccc1OCC(C)C ZINC000422945342 337692985 /nfs/dbraw/zinc/69/29/85/337692985.db2.gz UEFABTVUUGOJDL-ILXRZTDVSA-N 1 3 308.466 3.506 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423018239 337695764 /nfs/dbraw/zinc/69/57/64/337695764.db2.gz QMAVOIABMMFODS-BTYIYWSLSA-N 1 3 323.484 3.794 20 0 DHADHO Cc1cc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1-c1ccccc1 ZINC000423066783 337698160 /nfs/dbraw/zinc/69/81/60/337698160.db2.gz XWGBNBGYKUMDOQ-MAODMQOUSA-N 1 3 324.468 3.504 20 0 DHADHO CCCNc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423069352 337698187 /nfs/dbraw/zinc/69/81/87/337698187.db2.gz AUQZDYLODLUTRB-GUDVDZBRSA-N 1 3 301.478 3.519 20 0 DHADHO CCO[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423079773 337698603 /nfs/dbraw/zinc/69/86/03/337698603.db2.gz AVCIHBMBUOPNEN-VNTMZGSJSA-N 1 3 316.489 3.665 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000423108554 337699847 /nfs/dbraw/zinc/69/98/47/337699847.db2.gz TZEJQYLJGDLIOQ-IJNIYJAUSA-N 1 3 309.457 3.620 20 0 DHADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1CCCNC1 ZINC000423212481 337704434 /nfs/dbraw/zinc/70/44/34/337704434.db2.gz LZPVFCRNLOTAQY-HZPDHXFCSA-N 1 3 313.489 3.813 20 0 DHADHO CC[C@H](CSc1ccc(Cl)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000423220010 337705212 /nfs/dbraw/zinc/70/52/12/337705212.db2.gz XQJRVNYJNKDMDU-UKRRQHHQSA-N 1 3 312.910 3.800 20 0 DHADHO CC[C@H](NC[C@@H](C)C[NH2+]C)c1ccc2cc(OC)ccc2c1 ZINC000423255784 337707690 /nfs/dbraw/zinc/70/76/90/337707690.db2.gz ATUBAKHZHBAXCV-LIRRHRJNSA-N 1 3 300.446 3.745 20 0 DHADHO CCOc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc1OCC ZINC000423277369 337708941 /nfs/dbraw/zinc/70/89/41/337708941.db2.gz PLJRMEKBHZUJMQ-BHYGNILZSA-N 1 3 320.477 3.652 20 0 DHADHO CCOc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1OCC ZINC000423277371 337709027 /nfs/dbraw/zinc/70/90/27/337709027.db2.gz PLJRMEKBHZUJMQ-USXIJHARSA-N 1 3 320.477 3.652 20 0 DHADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cc(Br)cs1 ZINC000423278378 337709070 /nfs/dbraw/zinc/70/90/70/337709070.db2.gz PSHPWSUCKNYYHN-JBLDHEPKSA-N 1 3 317.296 3.679 20 0 DHADHO Cc1nc2c(s1)[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCC2 ZINC000423292054 337710123 /nfs/dbraw/zinc/71/01/23/337710123.db2.gz LBRBMTYLKGEGCW-ABAIWWIYSA-N 1 3 301.459 3.638 20 0 DHADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)NC[C@@H](C)C[NH3+] ZINC000423297905 337710924 /nfs/dbraw/zinc/71/09/24/337710924.db2.gz MKHJTCXYTVNSGV-QWRGUYRKSA-N 1 3 307.438 3.503 20 0 DHADHO Clc1ccc2c(c1)[C@@H](NCC1=CC[NH2+]CC1)CCCS2 ZINC000423331690 337712466 /nfs/dbraw/zinc/71/24/66/337712466.db2.gz CSNOEIHSXKYSBI-HNNXBMFYSA-N 1 3 308.878 3.776 20 0 DHADHO Cc1cc(Br)cc2c1[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423358638 337714208 /nfs/dbraw/zinc/71/42/08/337714208.db2.gz CBMWUDHEDZIAII-RRFJBIMHSA-N 1 3 323.278 3.604 20 0 DHADHO Cc1ccc(OC(F)F)c([C@@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423424781 337716948 /nfs/dbraw/zinc/71/69/48/337716948.db2.gz DAIHMJJNIYUWJM-UHOFOFEASA-N 1 3 324.415 3.635 20 0 DHADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423456506 337720414 /nfs/dbraw/zinc/72/04/14/337720414.db2.gz NUZKNGFKVXJLAO-RYUDHWBXSA-N 1 3 307.438 3.727 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CC(c2ccccc2)C1 ZINC000516449744 338012764 /nfs/dbraw/zinc/01/27/64/338012764.db2.gz NNTLRNXFIKRZIO-NXVRBGIVSA-N 1 3 309.457 3.693 20 0 DHADHO CCC(CC)(CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)OC ZINC000430157970 338099456 /nfs/dbraw/zinc/09/94/56/338099456.db2.gz SJPJSRBDMJYVQP-SJLPKXTDSA-N 1 3 310.526 3.824 20 0 DHADHO CCC(CC)(C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1)OC ZINC000430157970 338099457 /nfs/dbraw/zinc/09/94/57/338099457.db2.gz SJPJSRBDMJYVQP-SJLPKXTDSA-N 1 3 310.526 3.824 20 0 DHADHO CCC[N@H+](Cc1ccc(Cl)c2cccnc12)C1CCNCC1 ZINC000431072158 338121704 /nfs/dbraw/zinc/12/17/04/338121704.db2.gz XRDPLOUIPVKNGI-UHFFFAOYSA-N 1 3 317.864 3.852 20 0 DHADHO CCC[N@@H+](Cc1ccc(Cl)c2cccnc12)C1CCNCC1 ZINC000431072158 338121705 /nfs/dbraw/zinc/12/17/05/338121705.db2.gz XRDPLOUIPVKNGI-UHFFFAOYSA-N 1 3 317.864 3.852 20 0 DHADHO CCCN(Cc1ccc(Cl)c2cccnc12)C1CC[NH2+]CC1 ZINC000431072158 338121706 /nfs/dbraw/zinc/12/17/06/338121706.db2.gz XRDPLOUIPVKNGI-UHFFFAOYSA-N 1 3 317.864 3.852 20 0 DHADHO C[C@H]1CC[C@H](NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000432422031 338155982 /nfs/dbraw/zinc/15/59/82/338155982.db2.gz CDUVQJHGPIXKSM-QKLQHJQFSA-N 1 3 316.489 3.716 20 0 DHADHO C[C@H]1CC[C@H](NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000432422031 338155983 /nfs/dbraw/zinc/15/59/83/338155983.db2.gz CDUVQJHGPIXKSM-QKLQHJQFSA-N 1 3 316.489 3.716 20 0 DHADHO CC(C)c1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432426514 338156243 /nfs/dbraw/zinc/15/62/43/338156243.db2.gz RWVOLQSJTYXZCC-QZTJIDSGSA-N 1 3 318.505 3.962 20 0 DHADHO CC(C)c1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432426514 338156244 /nfs/dbraw/zinc/15/62/44/338156244.db2.gz RWVOLQSJTYXZCC-QZTJIDSGSA-N 1 3 318.505 3.962 20 0 DHADHO c1cc(CN(Cc2ccccc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000432666755 338161975 /nfs/dbraw/zinc/16/19/75/338161975.db2.gz KJQMWPAVPFFFIS-SFHVURJKSA-N 1 3 312.482 3.892 20 0 DHADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CC1(C)CCC1 ZINC000432779993 338167460 /nfs/dbraw/zinc/16/74/60/338167460.db2.gz JGXZGEQNOSITJT-UHFFFAOYSA-N 1 3 301.478 3.810 20 0 DHADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CC1(C)CCC1 ZINC000432779993 338167461 /nfs/dbraw/zinc/16/74/61/338167461.db2.gz JGXZGEQNOSITJT-UHFFFAOYSA-N 1 3 301.478 3.810 20 0 DHADHO COc1cc(CN2CCC[C@@H]2C)cc(C[N@@H+]2CCC[C@H]2C)c1 ZINC000432832529 338169941 /nfs/dbraw/zinc/16/99/41/338169941.db2.gz OWJYCCPRVIIXEG-IYBDPMFKSA-N 1 3 302.462 3.664 20 0 DHADHO COc1cc(CN2CCC[C@@H]2C)cc(C[N@H+]2CCC[C@H]2C)c1 ZINC000432832529 338169942 /nfs/dbraw/zinc/16/99/42/338169942.db2.gz OWJYCCPRVIIXEG-IYBDPMFKSA-N 1 3 302.462 3.664 20 0 DHADHO COc1cc(CN2CCC[C@H]2C)cc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000432832529 338169943 /nfs/dbraw/zinc/16/99/43/338169943.db2.gz OWJYCCPRVIIXEG-IYBDPMFKSA-N 1 3 302.462 3.664 20 0 DHADHO COc1cc(CN2CCC[C@H]2C)cc(C[N@H+]2CCC[C@@H]2C)c1 ZINC000432832529 338169944 /nfs/dbraw/zinc/16/99/44/338169944.db2.gz OWJYCCPRVIIXEG-IYBDPMFKSA-N 1 3 302.462 3.664 20 0 DHADHO CCc1ccc([C@@H]2CCN(CC[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000433062666 338179478 /nfs/dbraw/zinc/17/94/78/338179478.db2.gz VAPXICVZGVPWIJ-WOJBJXKFSA-N 1 3 300.490 3.913 20 0 DHADHO CCc1ccc([C@@H]2CCN(CC[C@H]3CCCC[N@H+]3C)C2)cc1 ZINC000433062666 338179479 /nfs/dbraw/zinc/17/94/79/338179479.db2.gz VAPXICVZGVPWIJ-WOJBJXKFSA-N 1 3 300.490 3.913 20 0 DHADHO CC(C)CCO[C@@H]1CCCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000436293826 338266878 /nfs/dbraw/zinc/26/68/78/338266878.db2.gz DUQLZMQZRWOWBB-WJFTUGDTSA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)CCO[C@@H]1CCCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000436293826 338266879 /nfs/dbraw/zinc/26/68/79/338266879.db2.gz DUQLZMQZRWOWBB-WJFTUGDTSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000436471092 338273310 /nfs/dbraw/zinc/27/33/10/338273310.db2.gz QWTDBJFDKVMRPM-FOIQADDNSA-N 1 3 307.441 3.574 20 0 DHADHO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000438117891 338333040 /nfs/dbraw/zinc/33/30/40/338333040.db2.gz MLDJSXHVJTWEJK-TYPHKJRUSA-N 1 3 312.501 3.915 20 0 DHADHO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000438117891 338333041 /nfs/dbraw/zinc/33/30/41/338333041.db2.gz MLDJSXHVJTWEJK-TYPHKJRUSA-N 1 3 312.501 3.915 20 0 DHADHO C[C@H](C[N@@H+]1CC[C@H](CN2CCCCC2)C1)c1ccc(F)cc1 ZINC000438130942 338333853 /nfs/dbraw/zinc/33/38/53/338333853.db2.gz VLHMADZCKSJSAP-IAGOWNOFSA-N 1 3 304.453 3.737 20 0 DHADHO C[C@H](C[N@H+]1CC[C@H](CN2CCCCC2)C1)c1ccc(F)cc1 ZINC000438130942 338333854 /nfs/dbraw/zinc/33/38/54/338333854.db2.gz VLHMADZCKSJSAP-IAGOWNOFSA-N 1 3 304.453 3.737 20 0 DHADHO Cc1ccccc1CCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000440323801 338385679 /nfs/dbraw/zinc/38/56/79/338385679.db2.gz IBPVDOKWASLBJW-LJQANCHMSA-N 1 3 300.490 3.591 20 0 DHADHO Cc1ccccc1CCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000440323801 338385680 /nfs/dbraw/zinc/38/56/80/338385680.db2.gz IBPVDOKWASLBJW-LJQANCHMSA-N 1 3 300.490 3.591 20 0 DHADHO Cc1ccccc1CCC[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000440323801 338385681 /nfs/dbraw/zinc/38/56/81/338385681.db2.gz IBPVDOKWASLBJW-LJQANCHMSA-N 1 3 300.490 3.591 20 0 DHADHO Cc1ccccc1CCC[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000440323801 338385682 /nfs/dbraw/zinc/38/56/82/338385682.db2.gz IBPVDOKWASLBJW-LJQANCHMSA-N 1 3 300.490 3.591 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCSc2ccc(F)cc2)[C@H](C)C1 ZINC000440698808 338395347 /nfs/dbraw/zinc/39/53/47/338395347.db2.gz WWXYNNTWCOWFEY-RHSMWYFYSA-N 1 3 310.482 3.580 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCSc2ccc(F)cc2)[C@H](C)C1 ZINC000440698808 338395348 /nfs/dbraw/zinc/39/53/48/338395348.db2.gz WWXYNNTWCOWFEY-RHSMWYFYSA-N 1 3 310.482 3.580 20 0 DHADHO Cc1cnc(CNC2CCC([NH+]3CCC(C)CC3)CC2)s1 ZINC000449205187 338602289 /nfs/dbraw/zinc/60/22/89/338602289.db2.gz NILPDNFHCZPVHH-UHFFFAOYSA-N 1 3 307.507 3.584 20 0 DHADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCOC2(CCC2)C1 ZINC000449473020 338628195 /nfs/dbraw/zinc/62/81/95/338628195.db2.gz BHFSDRIMBGLVNY-QGZVFWFLSA-N 1 3 320.521 3.722 20 0 DHADHO Cc1cc(C)c(C[NH2+]C2CCN(c3ccncc3)CC2)c(C)c1 ZINC000459390256 339026592 /nfs/dbraw/zinc/02/65/92/339026592.db2.gz PIMLRFMUYXSXGI-UHFFFAOYSA-N 1 3 309.457 3.765 20 0 DHADHO C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459418344 339028065 /nfs/dbraw/zinc/02/80/65/339028065.db2.gz VFKNCSYWXAHDJL-IAGOWNOFSA-N 1 3 301.478 3.856 20 0 DHADHO Cc1cc([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)ccc1F ZINC000459429257 339028715 /nfs/dbraw/zinc/02/87/15/339028715.db2.gz CLKCPSZFTBWPMC-HNNXBMFYSA-N 1 3 313.420 3.849 20 0 DHADHO C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)[C@H]1C ZINC000459537476 339034689 /nfs/dbraw/zinc/03/46/89/339034689.db2.gz YDSFFNRNFRFLED-IKGGRYGDSA-N 1 3 301.478 3.712 20 0 DHADHO CC1(C)CCC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459563405 339036052 /nfs/dbraw/zinc/03/60/52/339036052.db2.gz QFCMZPKGMDOUCP-INIZCTEOSA-N 1 3 301.478 3.856 20 0 DHADHO CC(C)COc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000166376420 339053213 /nfs/dbraw/zinc/05/32/13/339053213.db2.gz RQVDRSNAGFEFQN-RYRKJORJSA-N 1 3 304.478 3.855 20 0 DHADHO CC(C)COc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000166376420 339053214 /nfs/dbraw/zinc/05/32/14/339053214.db2.gz RQVDRSNAGFEFQN-RYRKJORJSA-N 1 3 304.478 3.855 20 0 DHADHO CN(CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C1CCCCC1 ZINC000462791491 339088979 /nfs/dbraw/zinc/08/89/79/339088979.db2.gz LHZPCVBKXIKIQO-GUDVDZBRSA-N 1 3 322.537 3.826 20 0 DHADHO CCCN(CCC)CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000464060403 339132394 /nfs/dbraw/zinc/13/23/94/339132394.db2.gz BVOYMBORCBBFEZ-CEXWTWQISA-N 1 3 310.526 3.683 20 0 DHADHO Cc1cc(NCc2ccc(CC[NH+](C)C)cc2)c2ccccc2n1 ZINC000466442953 339205141 /nfs/dbraw/zinc/20/51/41/339205141.db2.gz YWSGYKLTLJTRCC-UHFFFAOYSA-N 1 3 319.452 3.681 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCC2CC2)[C@@H](C)C1 ZINC000468922032 339274955 /nfs/dbraw/zinc/27/49/55/339274955.db2.gz HVSGFEHTRVZFQR-QFBILLFUSA-N 1 3 316.489 3.604 20 0 DHADHO C[N@@H+]1CCC[C@H]1CCN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469468122 339290594 /nfs/dbraw/zinc/29/05/94/339290594.db2.gz GCMRJRSUKVALDP-KRWDZBQOSA-N 1 3 322.443 3.704 20 0 DHADHO C[N@H+]1CCC[C@H]1CCN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469468122 339290595 /nfs/dbraw/zinc/29/05/95/339290595.db2.gz GCMRJRSUKVALDP-KRWDZBQOSA-N 1 3 322.443 3.704 20 0 DHADHO C[NH2+]CCC1CCN(Cc2ccc(OCC(C)C)cc2)CC1 ZINC000469855393 339302779 /nfs/dbraw/zinc/30/27/79/339302779.db2.gz PTDVOCIWZJDVFA-UHFFFAOYSA-N 1 3 304.478 3.543 20 0 DHADHO C[NH2+]CCC1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000469862469 339302967 /nfs/dbraw/zinc/30/29/67/339302967.db2.gz MSLLPYNHDZHDOH-UHFFFAOYSA-N 1 3 306.837 3.908 20 0 DHADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000470000552 339307878 /nfs/dbraw/zinc/30/78/78/339307878.db2.gz SKNNCYFMXCAJAN-GDBMZVCRSA-N 1 3 300.471 3.974 20 0 DHADHO C[NH2+]CC1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000470016146 339308651 /nfs/dbraw/zinc/30/86/51/339308651.db2.gz SHYGQWFFCQOZMI-UHFFFAOYSA-N 1 3 318.461 3.986 20 0 DHADHO COC1CC(NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000470110928 339311029 /nfs/dbraw/zinc/31/10/29/339311029.db2.gz QBUUEASQCLOCKX-UHFFFAOYSA-N 1 3 316.489 3.718 20 0 DHADHO COC1CC(NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000470110928 339311030 /nfs/dbraw/zinc/31/10/30/339311030.db2.gz QBUUEASQCLOCKX-UHFFFAOYSA-N 1 3 316.489 3.718 20 0 DHADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(COc2ccccc2)CC1 ZINC000472730902 339376744 /nfs/dbraw/zinc/37/67/44/339376744.db2.gz KQQHLHWAEGWYJH-LJQANCHMSA-N 1 3 316.489 3.652 20 0 DHADHO C[N@H+]1CCCC[C@@H]1CCN1CCC(COc2ccccc2)CC1 ZINC000472730902 339376745 /nfs/dbraw/zinc/37/67/45/339376745.db2.gz KQQHLHWAEGWYJH-LJQANCHMSA-N 1 3 316.489 3.652 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000474039300 339398374 /nfs/dbraw/zinc/39/83/74/339398374.db2.gz SSVOAYPGZPRDKF-LSDHHAIUSA-N 1 3 302.453 3.910 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000474039298 339398438 /nfs/dbraw/zinc/39/84/38/339398438.db2.gz SSVOAYPGZPRDKF-HUUCEWRRSA-N 1 3 302.453 3.910 20 0 DHADHO C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CCCCC1 ZINC000474470875 339416013 /nfs/dbraw/zinc/41/60/13/339416013.db2.gz MPKVSTPQYUJFIA-INIZCTEOSA-N 1 3 304.478 3.685 20 0 DHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000475208087 339441697 /nfs/dbraw/zinc/44/16/97/339441697.db2.gz IKRIWWKCFZBOGP-IAGOWNOFSA-N 1 3 318.505 3.899 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000479532548 339539702 /nfs/dbraw/zinc/53/97/02/339539702.db2.gz QBZRGRRIHNWRNG-IXDOHACOSA-N 1 3 304.478 3.714 20 0 DHADHO CCc1cc(NC2CC([NH+]3CCCCC3)C2)c2ccccc2n1 ZINC000480848814 339588751 /nfs/dbraw/zinc/58/87/51/339588751.db2.gz VFRPOSIOLSIOJI-UHFFFAOYSA-N 1 3 309.457 3.648 20 0 DHADHO COC[C@@H](NCc1cccc(C[NH+]2CCCCCC2)c1)C1CC1 ZINC000481731232 339611656 /nfs/dbraw/zinc/61/16/56/339611656.db2.gz CEUWCRDXRVSXLB-HXUWFJFHSA-N 1 3 316.489 3.577 20 0 DHADHO CCC1(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CCC1 ZINC000484273816 339683544 /nfs/dbraw/zinc/68/35/44/339683544.db2.gz CMDHTPBCBWVVDE-INIZCTEOSA-N 1 3 304.478 3.858 20 0 DHADHO C[C@H]1C[C@@H]1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000488472656 339784555 /nfs/dbraw/zinc/78/45/55/339784555.db2.gz XFCDGUHBKJFEPA-WMLDXEAASA-N 1 3 306.881 3.798 20 0 DHADHO Cc1cscc1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000494497425 339951559 /nfs/dbraw/zinc/95/15/59/339951559.db2.gz RTOFCOHCENFYPC-HNNXBMFYSA-N 1 3 318.486 3.848 20 0 DHADHO C[C@@H](c1ccccc1)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501042610 340072990 /nfs/dbraw/zinc/07/29/90/340072990.db2.gz BRMGADKZLONMCT-KRWDZBQOSA-N 1 3 309.457 3.991 20 0 DHADHO C[C@@H](c1ccccc1)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501042610 340072991 /nfs/dbraw/zinc/07/29/91/340072991.db2.gz BRMGADKZLONMCT-KRWDZBQOSA-N 1 3 309.457 3.991 20 0 DHADHO C(CN1CCC(C[NH+]2CCCC2)CC1)SC1CCCCC1 ZINC000501155929 340075250 /nfs/dbraw/zinc/07/52/50/340075250.db2.gz XASVREBTAAFVSH-UHFFFAOYSA-N 1 3 310.551 3.860 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000501375483 340079391 /nfs/dbraw/zinc/07/93/91/340079391.db2.gz BNVCCHQAFBZDJI-ZWKOTPCHSA-N 1 3 318.505 3.964 20 0 DHADHO CC(C)OC[C@H](C)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000501375483 340079392 /nfs/dbraw/zinc/07/93/92/340079392.db2.gz BNVCCHQAFBZDJI-ZWKOTPCHSA-N 1 3 318.505 3.964 20 0 DHADHO COc1ccc2cc(C[N@H+](C)CC[C@H]3CCCN3C)ccc2c1 ZINC000502694918 340110991 /nfs/dbraw/zinc/11/09/91/340110991.db2.gz UJBDKYGLVFMFIO-LJQANCHMSA-N 1 3 312.457 3.765 20 0 DHADHO COc1ccc2cc(C[N@@H+](C)CC[C@H]3CCCN3C)ccc2c1 ZINC000502694918 340110992 /nfs/dbraw/zinc/11/09/92/340110992.db2.gz UJBDKYGLVFMFIO-LJQANCHMSA-N 1 3 312.457 3.765 20 0 DHADHO CN(C)CCOc1cccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000503033665 340119247 /nfs/dbraw/zinc/11/92/47/340119247.db2.gz JCOGSDAZJVBMEQ-TZIWHRDSSA-N 1 3 324.468 3.520 20 0 DHADHO C[NH+]1CCC(C)(CNCc2cc(C(F)(F)F)ccc2F)CC1 ZINC000503953936 340138504 /nfs/dbraw/zinc/13/85/04/340138504.db2.gz WQLDATOJNZOPQC-UHFFFAOYSA-N 1 3 318.358 3.666 20 0 DHADHO CC[C@@H]1C[C@H](CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCO1 ZINC000507808848 340232540 /nfs/dbraw/zinc/23/25/40/340232540.db2.gz WVEZRSLTVCKOPQ-UAFMIMERSA-N 1 3 322.537 3.778 20 0 DHADHO CC[C@@H]1C[C@H](CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCO1 ZINC000507808848 340232541 /nfs/dbraw/zinc/23/25/41/340232541.db2.gz WVEZRSLTVCKOPQ-UAFMIMERSA-N 1 3 322.537 3.778 20 0 DHADHO C[C@H](C[NH2+][C@H](C)CCc1c(F)cccc1F)CN1CCCC1 ZINC000510674534 340306115 /nfs/dbraw/zinc/30/61/15/340306115.db2.gz ISVPXVGXXXHBOL-HUUCEWRRSA-N 1 3 310.432 3.607 20 0 DHADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510675970 340306246 /nfs/dbraw/zinc/30/62/46/340306246.db2.gz RKRZUBQOTGMFRU-SJLPKXTDSA-N 1 3 322.468 3.635 20 0 DHADHO CC(C)COc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000511510461 340329169 /nfs/dbraw/zinc/32/91/69/340329169.db2.gz VHBCHRQHVJBKHJ-UHFFFAOYSA-N 1 3 318.505 3.885 20 0 DHADHO CCC1(CC)[C@H]([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C[C@H]1OC ZINC000512318383 340356834 /nfs/dbraw/zinc/35/68/34/340356834.db2.gz OTVRSSKTEZWGOS-UKBAYJJMSA-N 1 3 322.537 3.823 20 0 DHADHO COc1cc(-c2ccccc2)ccc1CNCC1=CC[N@H+](C)CC1 ZINC000512382299 340359754 /nfs/dbraw/zinc/35/97/54/340359754.db2.gz DLLBRZKCNHFZHT-UHFFFAOYSA-N 1 3 322.452 3.714 20 0 DHADHO COc1cc(-c2ccccc2)ccc1CNCC1=CC[N@@H+](C)CC1 ZINC000512382299 340359755 /nfs/dbraw/zinc/35/97/55/340359755.db2.gz DLLBRZKCNHFZHT-UHFFFAOYSA-N 1 3 322.452 3.714 20 0 DHADHO CSCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512632171 340370044 /nfs/dbraw/zinc/37/00/44/340370044.db2.gz XSIBSNZBYQHDDP-CEXWTWQISA-N 1 3 318.530 3.630 20 0 DHADHO CS[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512630517 340370088 /nfs/dbraw/zinc/37/00/88/340370088.db2.gz MZJWCZUYWCDCQK-OQIJWPOYSA-N 1 3 318.530 3.628 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(O)CCCCCC2)CC1 ZINC000513207653 340397276 /nfs/dbraw/zinc/39/72/76/340397276.db2.gz CWLXIYUYQGLDEY-IEBWSBKVSA-N 1 3 322.537 3.704 20 0 DHADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC2(O)CCCCCC2)CC1 ZINC000513207653 340397277 /nfs/dbraw/zinc/39/72/77/340397277.db2.gz CWLXIYUYQGLDEY-IEBWSBKVSA-N 1 3 322.537 3.704 20 0 DHADHO Oc1ccc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000513212088 340397583 /nfs/dbraw/zinc/39/75/83/340397583.db2.gz GSWIYJLZZNVWFU-UHFFFAOYSA-N 1 3 316.489 3.712 20 0 DHADHO Oc1ccc(CCCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000513212088 340397584 /nfs/dbraw/zinc/39/75/84/340397584.db2.gz GSWIYJLZZNVWFU-UHFFFAOYSA-N 1 3 316.489 3.712 20 0 DHADHO CC(C)CC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000513238250 340398912 /nfs/dbraw/zinc/39/89/12/340398912.db2.gz KQQVDVVAXPWOBM-SXLOBPIMSA-N 1 3 324.553 3.806 20 0 DHADHO CC(C)CC[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000513238250 340398913 /nfs/dbraw/zinc/39/89/13/340398913.db2.gz KQQVDVVAXPWOBM-SXLOBPIMSA-N 1 3 324.553 3.806 20 0 DHADHO CCOc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123622348 340792810 /nfs/dbraw/zinc/79/28/10/340792810.db2.gz FMOSFVHQBWPNKE-UHFFFAOYSA-N 1 3 304.478 3.639 20 0 DHADHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000537971955 340794594 /nfs/dbraw/zinc/79/45/94/340794594.db2.gz ODNGHNJMUBWZFZ-FHWLQOOXSA-N 1 3 318.505 3.843 20 0 DHADHO CC[C@H](NCC1(C[NH2+][C@@H](CC)C(C)(C)C)COC1)C(C)(C)C ZINC000542967464 341027456 /nfs/dbraw/zinc/02/74/56/341027456.db2.gz MSCYCBWJTWOYHW-HOTGVXAUSA-N 1 3 312.542 3.832 20 0 DHADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc2ccccc2c1 ZINC000543597987 341050238 /nfs/dbraw/zinc/05/02/38/341050238.db2.gz NTSQWGYNEHOLHO-QGZVFWFLSA-N 1 3 314.473 3.849 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)cc1F ZINC000544896246 341098031 /nfs/dbraw/zinc/09/80/31/341098031.db2.gz RFUHQLVEDAPPLX-CQSZACIVSA-N 1 3 308.441 3.607 20 0 DHADHO COc1cc([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)ccc1F ZINC000544896364 341098054 /nfs/dbraw/zinc/09/80/54/341098054.db2.gz CBTCYPITIKWHHK-CQSZACIVSA-N 1 3 308.441 3.607 20 0 DHADHO COc1cc(C)ccc1[C@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000546936391 341187490 /nfs/dbraw/zinc/18/74/90/341187490.db2.gz WQGZUWKPKXYGRR-INIZCTEOSA-N 1 3 304.478 3.776 20 0 DHADHO CC(C)c1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000236649214 341192151 /nfs/dbraw/zinc/19/21/51/341192151.db2.gz VFSPUSXODHZQRN-HDICACEKSA-N 1 3 318.505 3.789 20 0 DHADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000237054650 341206437 /nfs/dbraw/zinc/20/64/37/341206437.db2.gz MXVGOCQDTZVTLY-JKSUJKDBSA-N 1 3 314.395 3.959 20 0 DHADHO C[C@@H]1C[C@H]1c1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000564317717 341207156 /nfs/dbraw/zinc/20/71/56/341207156.db2.gz OBJGOONCUXLAET-UWWQBHOKSA-N 1 3 302.462 3.567 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(OCc3ccccc3)cc2)C1 ZINC000261539897 341282074 /nfs/dbraw/zinc/28/20/74/341282074.db2.gz DHLZCPCPUDBTOZ-OALUTQOASA-N 1 3 310.441 3.625 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CCCSCc3ccccc3)CC[C@H]21 ZINC000245588633 341303854 /nfs/dbraw/zinc/30/38/54/341303854.db2.gz NWWOHUJTNQOUOR-RBUKOAKNSA-N 1 3 318.530 3.726 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CCCSCc3ccccc3)CC[C@H]21 ZINC000245588633 341303855 /nfs/dbraw/zinc/30/38/55/341303855.db2.gz NWWOHUJTNQOUOR-RBUKOAKNSA-N 1 3 318.530 3.726 20 0 DHADHO C[N@@H+]1CC[C@H](NCCOC2CCCCC2)C[C@H]1c1ccccc1 ZINC000550627462 341319918 /nfs/dbraw/zinc/31/99/18/341319918.db2.gz LSVUPVFNXIQDSV-ICSRJNTNSA-N 1 3 316.489 3.761 20 0 DHADHO C[N@H+]1CC[C@H](NCCOC2CCCCC2)C[C@H]1c1ccccc1 ZINC000550627462 341319919 /nfs/dbraw/zinc/31/99/19/341319919.db2.gz LSVUPVFNXIQDSV-ICSRJNTNSA-N 1 3 316.489 3.761 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCC23CCCC3)C[C@@H](C)O1 ZINC000551014703 341329341 /nfs/dbraw/zinc/32/93/41/341329341.db2.gz XGGSYJBJHDAWGM-KURKYZTESA-N 1 3 308.510 3.578 20 0 DHADHO CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1Cl ZINC000551563259 341345614 /nfs/dbraw/zinc/34/56/14/341345614.db2.gz DVEKEISBERUSFH-HEHGZKQESA-N 1 3 310.869 3.557 20 0 DHADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(OC(F)F)cc1 ZINC000246981422 341359437 /nfs/dbraw/zinc/35/94/37/341359437.db2.gz IWFPDCOFQGPQTN-AEGPPILISA-N 1 3 312.404 3.811 20 0 DHADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000552046618 341364805 /nfs/dbraw/zinc/36/48/05/341364805.db2.gz MOCKPKQPKKBLRJ-SLFFLAALSA-N 1 3 300.490 3.575 20 0 DHADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000552063654 341366551 /nfs/dbraw/zinc/36/65/51/341366551.db2.gz HIJHRDDQSYFQNM-PMACEKPBSA-N 1 3 316.489 3.684 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC000248202147 341374791 /nfs/dbraw/zinc/37/47/91/341374791.db2.gz ZAGRSGWCBSBBDV-GGPKGHCWSA-N 1 3 318.505 3.783 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC000248202147 341374792 /nfs/dbraw/zinc/37/47/92/341374792.db2.gz ZAGRSGWCBSBBDV-GGPKGHCWSA-N 1 3 318.505 3.783 20 0 DHADHO CCCCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000552225208 341379461 /nfs/dbraw/zinc/37/94/61/341379461.db2.gz DLUQLWHBEMPNLF-ZCNNSNEGSA-N 1 3 316.489 3.828 20 0 DHADHO CCCCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000552225208 341379462 /nfs/dbraw/zinc/37/94/62/341379462.db2.gz DLUQLWHBEMPNLF-ZCNNSNEGSA-N 1 3 316.489 3.828 20 0 DHADHO CCCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000552225208 341379463 /nfs/dbraw/zinc/37/94/63/341379463.db2.gz DLUQLWHBEMPNLF-ZCNNSNEGSA-N 1 3 316.489 3.828 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249269282 341395720 /nfs/dbraw/zinc/39/57/20/341395720.db2.gz JRGRBHRGJYDKEF-ILXRZTDVSA-N 1 3 306.416 3.818 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000249383602 341396855 /nfs/dbraw/zinc/39/68/55/341396855.db2.gz WEGJPOKDVHOVIV-DOMZBBRYSA-N 1 3 310.894 3.808 20 0 DHADHO CC(C)c1nc(CNC(C)(C)CCC[NH+](C)C)c2ccccn21 ZINC000565084273 341516709 /nfs/dbraw/zinc/51/67/09/341516709.db2.gz VHOMVEWYDWADTL-UHFFFAOYSA-N 1 3 316.493 3.668 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCCSCc2cccc3ccccc32)C1 ZINC000568249333 341661053 /nfs/dbraw/zinc/66/10/53/341661053.db2.gz NRMMCZQIHKBGEW-MSOLQXFVSA-N 1 3 314.498 3.933 20 0 DHADHO [NH3+]C[C@@H]1CC[C@H](NCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000569199921 341693888 /nfs/dbraw/zinc/69/38/88/341693888.db2.gz ARCXAJZKJHPTQT-RISCZKNCSA-N 1 3 321.877 3.681 20 0 DHADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](CC)c1ccc(Cl)s1 ZINC000166048633 341715585 /nfs/dbraw/zinc/71/55/85/341715585.db2.gz IVQSVGLRDRXRSM-STQMWFEESA-N 1 3 318.914 3.799 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCCOc2ccccc2-c2ccccc2)C1 ZINC000573338601 341725387 /nfs/dbraw/zinc/72/53/87/341725387.db2.gz SMEHOWVPGNZFDI-ROUUACIJSA-N 1 3 310.441 3.592 20 0 DHADHO Cc1ccc(-c2ncc(CN3CCC(CC[NH3+])CC3)s2)cc1 ZINC000574330241 341755519 /nfs/dbraw/zinc/75/55/19/341755519.db2.gz OHAOCNPMTNAYKS-UHFFFAOYSA-N 1 3 315.486 3.679 20 0 DHADHO C[C@@H]([NH3+])C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000347005132 341920136 /nfs/dbraw/zinc/92/01/36/341920136.db2.gz BCKWYSDVYHPRAJ-QGZVFWFLSA-N 1 3 324.468 3.825 20 0 DHADHO CSc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1F ZINC000577634595 341926058 /nfs/dbraw/zinc/92/60/58/341926058.db2.gz XFBXJUZNOMWJIZ-GFCCVEGCSA-N 1 3 304.434 3.857 20 0 DHADHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000178040861 341942050 /nfs/dbraw/zinc/94/20/50/341942050.db2.gz XVYOKSSALSEFCH-KURKYZTESA-N 1 3 304.478 3.535 20 0 DHADHO CC(C)[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000181925755 519820558 /nfs/dbraw/zinc/82/05/58/519820558.db2.gz DPEOUCWJHIJKFS-SFHVURJKSA-N 1 3 308.416 3.878 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000337125340 520586873 /nfs/dbraw/zinc/58/68/73/520586873.db2.gz DVVCZHVSGQTKCI-UHFFFAOYSA-N 1 3 311.473 3.789 20 0 DHADHO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccc(Cl)cc1 ZINC000159221625 522810977 /nfs/dbraw/zinc/81/09/77/522810977.db2.gz JYWSWAQRRSJELI-GOSISDBHSA-N 1 3 324.896 3.882 20 0 DHADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000338389411 523848326 /nfs/dbraw/zinc/84/83/26/523848326.db2.gz RYMSUCVHGBZHLP-KBPBESRZSA-N 1 3 304.400 3.525 20 0 DHADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000338389411 523848328 /nfs/dbraw/zinc/84/83/28/523848328.db2.gz RYMSUCVHGBZHLP-KBPBESRZSA-N 1 3 304.400 3.525 20 0 DHADHO C[NH+](C)CCCCNCc1ccc(-c2c(F)cccc2F)o1 ZINC000265154184 524052945 /nfs/dbraw/zinc/05/29/45/524052945.db2.gz CJVDBRJSBSIANE-UHFFFAOYSA-N 1 3 308.372 3.656 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337340780 524107938 /nfs/dbraw/zinc/10/79/38/524107938.db2.gz PSJSPMZXRNUXAV-WSTZPKSXSA-N 1 3 315.505 3.962 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)CN1CCCCC1 ZINC000337330096 524503814 /nfs/dbraw/zinc/50/38/14/524503814.db2.gz GEPWHLPBAKLLNU-GGPKGHCWSA-N 1 3 315.505 3.819 20 0 DHADHO C[C@@H](NCCCC[NH+](C)C)c1ccc(Br)cc1F ZINC000127090276 525434818 /nfs/dbraw/zinc/43/48/18/525434818.db2.gz MCSMVUWIUWVWKU-LLVKDONJSA-N 1 3 317.246 3.581 20 0 DHADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccs1 ZINC000162556791 525457988 /nfs/dbraw/zinc/45/79/88/525457988.db2.gz NPLJVGQIEWDDCK-AWEZNQCLSA-N 1 3 304.459 3.539 20 0 DHADHO C[C@@H](NCc1cccc2[nH]ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101882 525535252 /nfs/dbraw/zinc/53/52/52/525535252.db2.gz OVQZWVFQBYZINQ-NVXWUHKLSA-N 1 3 311.473 3.911 20 0 DHADHO C[C@@H](NCc1cccc2[nH]ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101882 525535258 /nfs/dbraw/zinc/53/52/58/525535258.db2.gz OVQZWVFQBYZINQ-NVXWUHKLSA-N 1 3 311.473 3.911 20 0 DHADHO C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000183101882 525535261 /nfs/dbraw/zinc/53/52/61/525535261.db2.gz OVQZWVFQBYZINQ-NVXWUHKLSA-N 1 3 311.473 3.911 20 0 DHADHO C[C@@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000156166460 525639570 /nfs/dbraw/zinc/63/95/70/525639570.db2.gz OISYIJKCSDNSGI-LALPHHSUSA-N 1 3 311.267 3.582 20 0 DHADHO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000156166460 525639577 /nfs/dbraw/zinc/63/95/77/525639577.db2.gz OISYIJKCSDNSGI-LALPHHSUSA-N 1 3 311.267 3.582 20 0 DHADHO Cc1ccsc1[C@@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000162560941 525867976 /nfs/dbraw/zinc/86/79/76/525867976.db2.gz GCMFGLJLJRJDMC-OAHLLOKOSA-N 1 3 318.486 3.848 20 0 DHADHO Cc1ccsc1[C@@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000162506387 525869075 /nfs/dbraw/zinc/86/90/75/525869075.db2.gz JVHDMPMZKHPFCQ-OAHLLOKOSA-N 1 3 318.486 3.848 20 0 DHADHO Fc1ccc2nc(CNCCCCC[NH+]3CCCC3)sc2c1 ZINC000339508248 526378585 /nfs/dbraw/zinc/37/85/85/526378585.db2.gz SWCXTVXBXNLYSK-UHFFFAOYSA-N 1 3 321.465 3.791 20 0 DHADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649363 1013206133 /nfs/dbraw/zinc/20/61/33/1013206133.db2.gz KUQGXZZMFQPLSD-CHWSQXEVSA-N 1 3 323.278 3.584 20 0 DHADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649363 1013206139 /nfs/dbraw/zinc/20/61/39/1013206139.db2.gz KUQGXZZMFQPLSD-CHWSQXEVSA-N 1 3 323.278 3.584 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000579895801 1013385940 /nfs/dbraw/zinc/38/59/40/1013385940.db2.gz OXZVOIREQQJALG-HNNXBMFYSA-N 1 3 319.880 3.568 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000579895801 1013385949 /nfs/dbraw/zinc/38/59/49/1013385949.db2.gz OXZVOIREQQJALG-HNNXBMFYSA-N 1 3 319.880 3.568 20 0 DHADHO CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[C@@H]1CCCCO1 ZINC000655849060 1013779375 /nfs/dbraw/zinc/77/93/75/1013779375.db2.gz MEEPDWODHKIFHE-MDNKFWRPSA-N 1 3 322.537 3.967 20 0 DHADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1F ZINC000340471210 1013838289 /nfs/dbraw/zinc/83/82/89/1013838289.db2.gz SYIJRHYKDWZXQK-OWCLPIDISA-N 1 3 307.457 3.629 20 0 DHADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1F ZINC000340471210 1013838297 /nfs/dbraw/zinc/83/82/97/1013838297.db2.gz SYIJRHYKDWZXQK-OWCLPIDISA-N 1 3 307.457 3.629 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000656200617 1014106161 /nfs/dbraw/zinc/10/61/61/1014106161.db2.gz BGXAAWZWVCIGRP-RYUDHWBXSA-N 1 3 311.420 3.713 20 0 DHADHO C[C@@H]([NH2+]CC1(N)CCCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000665249522 1014552702 /nfs/dbraw/zinc/55/27/02/1014552702.db2.gz RXQMVMWOZVLWSI-CHWSQXEVSA-N 1 3 303.475 3.649 20 0 DHADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC2CC2)c(F)c1 ZINC000581200855 1014611249 /nfs/dbraw/zinc/61/12/49/1014611249.db2.gz TURINAYMTOCSTB-RCBQFDQVSA-N 1 3 306.425 3.535 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000442989686 1014788063 /nfs/dbraw/zinc/78/80/63/1014788063.db2.gz ITOZYPQFYPTCLN-HOTGVXAUSA-N 1 3 314.395 3.976 20 0 DHADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCC(F)(F)F ZINC000276175977 1014793296 /nfs/dbraw/zinc/79/32/96/1014793296.db2.gz FZCNAVIRGUSFNQ-KBPBESRZSA-N 1 3 314.395 3.685 20 0 DHADHO CC(C)c1ccc([C@H](NC[C@@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000522038277 1014870264 /nfs/dbraw/zinc/87/02/64/1014870264.db2.gz WDLSGPDQISMIHA-WOJBJXKFSA-N 1 3 318.505 3.552 20 0 DHADHO CC(C)c1ccc([C@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000522038277 1014870277 /nfs/dbraw/zinc/87/02/77/1014870277.db2.gz WDLSGPDQISMIHA-WOJBJXKFSA-N 1 3 318.505 3.552 20 0 DHADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000166398720 1014984866 /nfs/dbraw/zinc/98/48/66/1014984866.db2.gz YSNQZHJUHZCYJV-XPKDYRNWSA-N 1 3 312.404 3.811 20 0 DHADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000166398720 1014984875 /nfs/dbraw/zinc/98/48/75/1014984875.db2.gz YSNQZHJUHZCYJV-XPKDYRNWSA-N 1 3 312.404 3.811 20 0 DHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000474604596 1015487002 /nfs/dbraw/zinc/48/70/02/1015487002.db2.gz RBTBCFYQEJANIH-KZNAEPCWSA-N 1 3 318.505 3.899 20 0 DHADHO CC[NH+](CC)CCCN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000276834563 1015695163 /nfs/dbraw/zinc/69/51/63/1015695163.db2.gz BNXIOYOLCAXXND-MOPGFXCFSA-N 1 3 322.468 3.710 20 0 DHADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000276834563 1015695166 /nfs/dbraw/zinc/69/51/66/1015695166.db2.gz BNXIOYOLCAXXND-MOPGFXCFSA-N 1 3 322.468 3.710 20 0 DHADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000276834563 1015695170 /nfs/dbraw/zinc/69/51/70/1015695170.db2.gz BNXIOYOLCAXXND-MOPGFXCFSA-N 1 3 322.468 3.710 20 0 DHADHO CCC[N@H+](C)C[C@@H]1CCN(CC[C@@H](C)OCc2ccccc2)C1 ZINC000475040109 1015792591 /nfs/dbraw/zinc/79/25/91/1015792591.db2.gz USKNZKCJPZBECP-QUCCMNQESA-N 1 3 318.505 3.646 20 0 DHADHO CCC[N@@H+](C)C[C@@H]1CCN(CC[C@@H](C)OCc2ccccc2)C1 ZINC000475040109 1015792595 /nfs/dbraw/zinc/79/25/95/1015792595.db2.gz USKNZKCJPZBECP-QUCCMNQESA-N 1 3 318.505 3.646 20 0 DHADHO c1csc(-c2ccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2)c1 ZINC000657307064 1016268353 /nfs/dbraw/zinc/26/83/53/1016268353.db2.gz IEINXRYQQHJXLB-INIZCTEOSA-N 1 3 312.482 3.989 20 0 DHADHO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H](N(C)C)CC2)c1C ZINC000277392179 1016270591 /nfs/dbraw/zinc/27/05/91/1016270591.db2.gz YWEKZSYMGUFPLR-SFHVURJKSA-N 1 3 316.489 3.731 20 0 DHADHO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H](N(C)C)CC2)c1C ZINC000277392179 1016270598 /nfs/dbraw/zinc/27/05/98/1016270598.db2.gz YWEKZSYMGUFPLR-SFHVURJKSA-N 1 3 316.489 3.731 20 0 DHADHO CN(C)[C@H]1CCC[N@H+](CCCCCOc2ccccc2)CC1 ZINC000277500075 1016448366 /nfs/dbraw/zinc/44/83/66/1016448366.db2.gz NWGBTSYIQTUNGG-SFHVURJKSA-N 1 3 304.478 3.652 20 0 DHADHO CN(C)[C@H]1CCC[N@@H+](CCCCCOc2ccccc2)CC1 ZINC000277500075 1016448369 /nfs/dbraw/zinc/44/83/69/1016448369.db2.gz NWGBTSYIQTUNGG-SFHVURJKSA-N 1 3 304.478 3.652 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000281349112 1016468140 /nfs/dbraw/zinc/46/81/40/1016468140.db2.gz VEJVWRGGOMMLOV-ZFWWWQNUSA-N 1 3 314.395 3.568 20 0 DHADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(-c4ccccc4F)o3)C[C@@H]21 ZINC000346819737 1016566303 /nfs/dbraw/zinc/56/63/03/1016566303.db2.gz DYRQAHVAQHWULD-QANKJYHBSA-N 1 3 314.404 3.645 20 0 DHADHO Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCCO2 ZINC000152376749 1016573428 /nfs/dbraw/zinc/57/34/28/1016573428.db2.gz HCMBQCIZDYVTGR-SUMWQHHRSA-N 1 3 320.864 3.628 20 0 DHADHO CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ncc(CN)s2)cc1 ZINC000629707015 1016586365 /nfs/dbraw/zinc/58/63/65/1016586365.db2.gz FVOSGVWJVCPHBW-OAHLLOKOSA-N 1 3 301.459 3.643 20 0 DHADHO CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2ncc(CN)s2)cc1 ZINC000629707015 1016586374 /nfs/dbraw/zinc/58/63/74/1016586374.db2.gz FVOSGVWJVCPHBW-OAHLLOKOSA-N 1 3 301.459 3.643 20 0 DHADHO CC[NH+]1CCC(CNCc2cccc(Cl)c2Cl)CC1 ZINC000044517218 1016611890 /nfs/dbraw/zinc/61/18/90/1016611890.db2.gz BJZHNFPKJYSLDJ-UHFFFAOYSA-N 1 3 301.261 3.815 20 0 DHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000671297548 1016881797 /nfs/dbraw/zinc/88/17/97/1016881797.db2.gz ZOCBBHHFTWMZBT-TWRRNRRFSA-N 1 3 316.489 3.650 20 0 DHADHO CN1CC[C@@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)CC1(C)C ZINC000623374676 1017005502 /nfs/dbraw/zinc/00/55/02/1017005502.db2.gz KXUAJXYRSUZBHW-DOMZBBRYSA-N 1 3 308.853 3.626 20 0 DHADHO CC[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623440396 1017048894 /nfs/dbraw/zinc/04/88/94/1017048894.db2.gz ULNWOBNCAWUWHB-CABCVRRESA-N 1 3 324.896 3.960 20 0 DHADHO CC[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623440396 1017048898 /nfs/dbraw/zinc/04/88/98/1017048898.db2.gz ULNWOBNCAWUWHB-CABCVRRESA-N 1 3 324.896 3.960 20 0 DHADHO CSCc1cc(F)ccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000362012907 1032194762 /nfs/dbraw/zinc/19/47/62/1032194762.db2.gz IDKQXFMOOKCLLP-OGHNNQOOSA-N 1 3 310.482 3.507 20 0 DHADHO CC[NH+](CC)CCCN[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171283856 1032241233 /nfs/dbraw/zinc/24/12/33/1032241233.db2.gz JSOWEZUWTHWIEA-AWEZNQCLSA-N 1 3 324.896 3.527 20 0 DHADHO CCN(CC)CCC[NH2+][C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171283856 1032241246 /nfs/dbraw/zinc/24/12/46/1032241246.db2.gz JSOWEZUWTHWIEA-AWEZNQCLSA-N 1 3 324.896 3.527 20 0 DHADHO C[NH+](C)C1CCC(N2CCC[C@H]2c2c(F)cccc2F)CC1 ZINC001168328520 1032299830 /nfs/dbraw/zinc/29/98/30/1032299830.db2.gz JAIJGHZIWJRVIQ-KVULBXGLSA-N 1 3 308.416 3.975 20 0 DHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(C(F)F)CC2)CC1 ZINC000475214604 1017086300 /nfs/dbraw/zinc/08/63/00/1017086300.db2.gz JKLMFFTVDRKWOZ-DZGCQCFKSA-N 1 3 300.437 3.664 20 0 DHADHO FC(F)C1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000475216890 1017087294 /nfs/dbraw/zinc/08/72/94/1017087294.db2.gz VABBEHPNMQXDNX-BRWVUGGUSA-N 1 3 320.427 3.532 20 0 DHADHO FC(F)(F)c1ccccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168351693 1032556187 /nfs/dbraw/zinc/55/61/87/1032556187.db2.gz ZQHOKKRJFRYSNY-UHFFFAOYSA-N 1 3 312.379 3.669 20 0 DHADHO CC[C@H](CN1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000537647437 1032576306 /nfs/dbraw/zinc/57/63/06/1032576306.db2.gz GVPBWULXTDTWBH-RBUKOAKNSA-N 1 3 300.490 3.844 20 0 DHADHO CC[C@H](CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000537647437 1032576316 /nfs/dbraw/zinc/57/63/16/1032576316.db2.gz GVPBWULXTDTWBH-RBUKOAKNSA-N 1 3 300.490 3.844 20 0 DHADHO COc1ccc([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000424277758 1011970423 /nfs/dbraw/zinc/97/04/23/1011970423.db2.gz AUSUIDCWWOFGKP-KBPBESRZSA-N 1 3 310.869 3.731 20 0 DHADHO COc1ccc([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000424277758 1011970430 /nfs/dbraw/zinc/97/04/30/1011970430.db2.gz AUSUIDCWWOFGKP-KBPBESRZSA-N 1 3 310.869 3.731 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(OCC(F)(F)F)cc1 ZINC000424375154 1012014544 /nfs/dbraw/zinc/01/45/44/1012014544.db2.gz MLAKHGUKKDURKC-NILFDRSVSA-N 1 3 316.367 3.548 20 0 DHADHO [NH3+]C[C@@H]1CC[C@@H](N[C@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000643542727 1012036380 /nfs/dbraw/zinc/03/63/80/1012036380.db2.gz KDHOPVIWFDVMLW-ZTQAJYAQSA-N 1 3 321.424 3.634 20 0 DHADHO [NH3+]C[C@@H]1CC[C@H](N[C@@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000643542724 1012037266 /nfs/dbraw/zinc/03/72/66/1012037266.db2.gz KDHOPVIWFDVMLW-CFLQYTFWSA-N 1 3 321.424 3.634 20 0 DHADHO Fc1cccc2c1CC[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001171405891 1032595103 /nfs/dbraw/zinc/59/51/03/1032595103.db2.gz BPMNOWGPQBPZAW-QGZVFWFLSA-N 1 3 316.464 3.680 20 0 DHADHO FC(F)(F)c1ccc(Cl)c(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952317 1032600590 /nfs/dbraw/zinc/60/05/90/1032600590.db2.gz QQNYAFMFELIPRU-CYBMUJFWSA-N 1 3 318.770 3.591 20 0 DHADHO COc1ccc([C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C(C)C)cc1 ZINC000643548620 1012122201 /nfs/dbraw/zinc/12/22/01/1012122201.db2.gz RZQCERGFLWXEFD-FUHWJXTLSA-N 1 3 302.462 3.657 20 0 DHADHO C[C@@H](Cc1c(F)cccc1Cl)N1CCC(C[NH+](C)C)CC1 ZINC001172854683 1033424590 /nfs/dbraw/zinc/42/45/90/1033424590.db2.gz WVTHZMMZGJEFDS-ZDUSSCGKSA-N 1 3 312.860 3.684 20 0 DHADHO c1c(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000515232814 1012583568 /nfs/dbraw/zinc/58/35/68/1012583568.db2.gz YYKWJWPXFGUAQT-IXDOHACOSA-N 1 3 304.503 3.637 20 0 DHADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894317974 1012755025 /nfs/dbraw/zinc/75/50/25/1012755025.db2.gz XPXJSUBLKUIUDQ-STQMWFEESA-N 1 3 323.893 3.912 20 0 DHADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894317969 1012755457 /nfs/dbraw/zinc/75/54/57/1012755457.db2.gz XPXJSUBLKUIUDQ-OLZOCXBDSA-N 1 3 323.893 3.912 20 0 DHADHO FCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000516883292 1012854151 /nfs/dbraw/zinc/85/41/51/1012854151.db2.gz UZFUFKQWDMKEBL-GBESFXJTSA-N 1 3 304.453 3.626 20 0 DHADHO Clc1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167962237 1012918005 /nfs/dbraw/zinc/91/80/05/1012918005.db2.gz VRRMAXSOXURDBR-AYHJJNSGSA-N 1 3 318.892 3.878 20 0 DHADHO Clc1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167962237 1012918016 /nfs/dbraw/zinc/91/80/16/1012918016.db2.gz VRRMAXSOXURDBR-AYHJJNSGSA-N 1 3 318.892 3.878 20 0 DHADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN(C)C)CCCO2 ZINC000425929361 1012959923 /nfs/dbraw/zinc/95/99/23/1012959923.db2.gz XIVGUIFSWVWGKK-CRAIPNDOSA-N 1 3 304.478 3.811 20 0 DHADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(SCC(F)F)cc1 ZINC000425941990 1012980613 /nfs/dbraw/zinc/98/06/13/1012980613.db2.gz DEWKXILVCNVLTM-QWHCGFSZSA-N 1 3 316.461 3.892 20 0 DHADHO C[C@@H]1CCC[C@@H](C)N1CC1(C[N@H+]2[C@H](C)CCC[C@@H]2C)COC1 ZINC000119414872 1013031186 /nfs/dbraw/zinc/03/11/86/1013031186.db2.gz XUWHIKDAYDZXBY-TVFCKZIOSA-N 1 3 308.510 3.529 20 0 DHADHO C[C@@H]1CCC[C@@H](C)N1CC1(C[N@@H+]2[C@H](C)CCC[C@@H]2C)COC1 ZINC000119414872 1013031198 /nfs/dbraw/zinc/03/11/98/1013031198.db2.gz XUWHIKDAYDZXBY-TVFCKZIOSA-N 1 3 308.510 3.529 20 0 DHADHO C[C@@H]1CCC[C@H](C)N1CC1(C[NH+]2[C@H](C)CCC[C@H]2C)COC1 ZINC000119414872 1013031209 /nfs/dbraw/zinc/03/12/09/1013031209.db2.gz XUWHIKDAYDZXBY-TVFCKZIOSA-N 1 3 308.510 3.529 20 0 DHADHO C[C@@H]1C[C@@H](N(C)[C@@H]2CCCOC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063589 1017195887 /nfs/dbraw/zinc/19/58/87/1017195887.db2.gz CTRQEXMTAGDSBY-PIKOESSRSA-N 1 3 316.489 3.539 20 0 DHADHO C[C@@H]1C[C@@H](N(C)[C@@H]2CCCOC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063589 1017195895 /nfs/dbraw/zinc/19/58/95/1017195895.db2.gz CTRQEXMTAGDSBY-PIKOESSRSA-N 1 3 316.489 3.539 20 0 DHADHO CC(C)Cc1ccc(C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000475553352 1017423484 /nfs/dbraw/zinc/42/34/84/1017423484.db2.gz UOEDBTYHEYXZCL-UHFFFAOYSA-N 1 3 300.490 3.992 20 0 DHADHO FC1(F)CC(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716694767 1032701950 /nfs/dbraw/zinc/70/19/50/1032701950.db2.gz TYRATLWBEGNURV-JQHSSLGASA-N 1 3 320.427 3.674 20 0 DHADHO C[C@]1(F)CCN(Cc2ccccc2CN2CC[C@](C)(F)C2)C1 ZINC000347334882 1017490321 /nfs/dbraw/zinc/49/03/21/1017490321.db2.gz ACLJHVLXWXHMLQ-ROUUACIJSA-N 1 3 308.416 3.554 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CS1 ZINC000716674428 1032702868 /nfs/dbraw/zinc/70/28/68/1032702868.db2.gz XJGFNFKXGJFRNU-WRNCNIFXSA-N 1 3 316.514 3.523 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CS1 ZINC000716674410 1032702914 /nfs/dbraw/zinc/70/29/14/1032702914.db2.gz XJGFNFKXGJFRNU-QTUASDBPSA-N 1 3 316.514 3.523 20 0 DHADHO CCc1ccccc1CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000444640035 1017613213 /nfs/dbraw/zinc/61/32/13/1017613213.db2.gz MTFNBGBHVXFOBZ-HXUWFJFHSA-N 1 3 300.490 3.742 20 0 DHADHO CCCCN(C)CCC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454015 1032715782 /nfs/dbraw/zinc/71/57/82/1032715782.db2.gz QNLLOJCYHGENTC-MRXNPFEDSA-N 1 3 310.432 3.534 20 0 DHADHO CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624122626 1017695390 /nfs/dbraw/zinc/69/53/90/1017695390.db2.gz XACLEWUHLNZWSJ-HZPDHXFCSA-N 1 3 306.519 3.661 20 0 DHADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000624122671 1017697197 /nfs/dbraw/zinc/69/71/97/1017697197.db2.gz YGBROSRVOLXFMR-AYOQOUSVSA-N 1 3 304.453 3.783 20 0 DHADHO CC(C)[NH+]1CCC(N(C)CCCOc2ccc(Cl)cc2)CC1 ZINC000523804721 1017797808 /nfs/dbraw/zinc/79/78/08/1017797808.db2.gz QKAPGVYSXGAJCO-UHFFFAOYSA-N 1 3 324.896 3.914 20 0 DHADHO CC(C)Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC001167647002 1017940675 /nfs/dbraw/zinc/94/06/75/1017940675.db2.gz JLBSEVNVAKHHTP-WOJBJXKFSA-N 1 3 300.490 3.801 20 0 DHADHO CC(C)Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC001167647002 1017940681 /nfs/dbraw/zinc/94/06/81/1017940681.db2.gz JLBSEVNVAKHHTP-WOJBJXKFSA-N 1 3 300.490 3.801 20 0 DHADHO C[C@H](CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccccn1 ZINC000658063975 1018010982 /nfs/dbraw/zinc/01/09/82/1018010982.db2.gz MCCRVYGSCLJCGO-QKLQHJQFSA-N 1 3 315.505 3.818 20 0 DHADHO C[C@H](CCc1cccc(F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000183353455 1018016114 /nfs/dbraw/zinc/01/61/14/1018016114.db2.gz ATIHNRGBWSUNHF-SJLPKXTDSA-N 1 3 304.453 3.565 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000183353455 1018016132 /nfs/dbraw/zinc/01/61/32/1018016132.db2.gz ATIHNRGBWSUNHF-SJLPKXTDSA-N 1 3 304.453 3.565 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000183353455 1018016146 /nfs/dbraw/zinc/01/61/46/1018016146.db2.gz ATIHNRGBWSUNHF-SJLPKXTDSA-N 1 3 304.453 3.565 20 0 DHADHO C[C@H]([NH2+]CCc1ccc(F)c(F)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000185669221 1018123733 /nfs/dbraw/zinc/12/37/33/1018123733.db2.gz JTRPHFOEOQIZKH-HOCLYGCPSA-N 1 3 322.443 3.750 20 0 DHADHO C[C@H]([NH2+]CCCOc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185690766 1018125820 /nfs/dbraw/zinc/12/58/20/1018125820.db2.gz CULLDHBCOPNQDO-ROUUACIJSA-N 1 3 316.489 3.698 20 0 DHADHO CC[C@@]1(C)CCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658162438 1018184816 /nfs/dbraw/zinc/18/48/16/1018184816.db2.gz DFFSLCVVCJFILW-UXHICEINSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@@H]1[C@H](N)CC[N@@H+]1Cc1ccccc1-c1ccc(Cl)cc1 ZINC001205191083 1018381742 /nfs/dbraw/zinc/38/17/42/1018381742.db2.gz VUPRPLULQDHEAJ-FZKQIMNGSA-N 1 3 300.833 3.929 20 0 DHADHO C[C@@H]1[C@H](N)CC[N@H+]1Cc1ccccc1-c1ccc(Cl)cc1 ZINC001205191083 1018381746 /nfs/dbraw/zinc/38/17/46/1018381746.db2.gz VUPRPLULQDHEAJ-FZKQIMNGSA-N 1 3 300.833 3.929 20 0 DHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCCc3ccco3)CC2)C1 ZINC000658327009 1018478007 /nfs/dbraw/zinc/47/80/07/1018478007.db2.gz MEWMORXUUNEBOK-FUHWJXTLSA-N 1 3 304.478 3.845 20 0 DHADHO C[NH2+]Cc1ccccc1CNCc1cccc(OC(F)(F)F)c1 ZINC000650719188 1018565926 /nfs/dbraw/zinc/56/59/26/1018565926.db2.gz GZKSQAVYQRUYAG-UHFFFAOYSA-N 1 3 324.346 3.594 20 0 DHADHO Cc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1Cl ZINC000650723119 1018576709 /nfs/dbraw/zinc/57/67/09/1018576709.db2.gz HRJAWUGWUKHBGR-JQHSSLGASA-N 1 3 322.880 3.509 20 0 DHADHO CC[C@H](Cc1cccs1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000675784586 1018589255 /nfs/dbraw/zinc/58/92/55/1018589255.db2.gz ZHGJUMQAEFVDJV-BRWVUGGUSA-N 1 3 324.534 3.548 20 0 DHADHO CC[C@H](Cc1cccs1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000675784588 1018589870 /nfs/dbraw/zinc/58/98/70/1018589870.db2.gz ZHGJUMQAEFVDJV-IXDOHACOSA-N 1 3 324.534 3.548 20 0 DHADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(Oc2ccccc2F)c1 ZINC000650740353 1018626434 /nfs/dbraw/zinc/62/64/34/1018626434.db2.gz LCKFOXQRTDSEAB-ZIAGYGMSSA-N 1 3 302.393 3.833 20 0 DHADHO CCOc1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1F ZINC000278422660 1018678039 /nfs/dbraw/zinc/67/80/39/1018678039.db2.gz QVQMNUTUGRSJJI-UHFFFAOYSA-N 1 3 316.420 3.576 20 0 DHADHO c1ccc([C@@H](NCC2CC[NH+](C3CC3)CC2)c2ccccn2)cc1 ZINC000278462072 1018713091 /nfs/dbraw/zinc/71/30/91/1018713091.db2.gz MTPKIXRSDIOPOS-OAQYLSRUSA-N 1 3 321.468 3.635 20 0 DHADHO COc1cccc(CNC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000657805290 1018742429 /nfs/dbraw/zinc/74/24/29/1018742429.db2.gz UFMDWFGPCGULEQ-UHFFFAOYSA-N 1 3 324.468 3.758 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)CC2)C1 ZINC000584021223 1018858217 /nfs/dbraw/zinc/85/82/17/1018858217.db2.gz LLHKXXDTHLPJIO-JUTVBYGBSA-N 1 3 324.512 3.957 20 0 DHADHO C[NH+]1C(C)(C)CC(N2CC[C@@](CF)(C(F)(F)F)C2)CC1(C)C ZINC001171631473 1032795288 /nfs/dbraw/zinc/79/52/88/1032795288.db2.gz IYPOXBBYGRQTOC-HNNXBMFYSA-N 1 3 324.406 3.862 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1(C)C ZINC001171631473 1032795296 /nfs/dbraw/zinc/79/52/96/1032795296.db2.gz IYPOXBBYGRQTOC-HNNXBMFYSA-N 1 3 324.406 3.862 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1(C)C ZINC001171631473 1032795309 /nfs/dbraw/zinc/79/53/09/1032795309.db2.gz IYPOXBBYGRQTOC-HNNXBMFYSA-N 1 3 324.406 3.862 20 0 DHADHO CC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000129009664 1018937091 /nfs/dbraw/zinc/93/70/91/1018937091.db2.gz MOFLPOMPHLWXIL-LSDHHAIUSA-N 1 3 311.267 3.632 20 0 DHADHO Cc1cccnc1CCC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171612998 1032799401 /nfs/dbraw/zinc/79/94/01/1032799401.db2.gz CQDKWSZZPASZNZ-UHFFFAOYSA-N 1 3 303.494 3.564 20 0 DHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000708511466 1019098040 /nfs/dbraw/zinc/09/80/40/1019098040.db2.gz OGZRDASMRPATFX-NZSAHSFTSA-N 1 3 318.530 3.630 20 0 DHADHO C[NH+]1C(C)(C)CC(N[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1(C)C ZINC001171624528 1032808754 /nfs/dbraw/zinc/80/87/54/1032808754.db2.gz VGFCVKWHXDJUEU-IAGOWNOFSA-N 1 3 304.453 3.923 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@@H]2C[C@@H]2c2ccc(F)cc2)CC1(C)C ZINC001171624528 1032808772 /nfs/dbraw/zinc/80/87/72/1032808772.db2.gz VGFCVKWHXDJUEU-IAGOWNOFSA-N 1 3 304.453 3.923 20 0 DHADHO CN1C(C)(C)CC([NH2+]CC2Cc3ccccc3C2)CC1(C)C ZINC001171627145 1032811794 /nfs/dbraw/zinc/81/17/94/1032811794.db2.gz LWZSFNVMLNCLCU-UHFFFAOYSA-N 1 3 300.490 3.642 20 0 DHADHO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000921981803 1019256683 /nfs/dbraw/zinc/25/66/83/1019256683.db2.gz XKSHJTIVEMXXSG-MUQADHOPSA-N 1 3 310.551 3.903 20 0 DHADHO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090218295 1019385441 /nfs/dbraw/zinc/38/54/41/1019385441.db2.gz NIIOQUMNZYDOSD-XLIONFOSSA-N 1 3 322.537 3.824 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](c3ccccn3)C2)CC1(C)C ZINC001171639320 1032833956 /nfs/dbraw/zinc/83/39/56/1032833956.db2.gz FMJCHYSNZFEFFK-MRXNPFEDSA-N 1 3 315.505 3.912 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](c3ccccn3)C2)CC1(C)C ZINC001171639320 1032833977 /nfs/dbraw/zinc/83/39/77/1032833977.db2.gz FMJCHYSNZFEFFK-MRXNPFEDSA-N 1 3 315.505 3.912 20 0 DHADHO CCCC[N@H+](C)CC1CCN([C@H](C)c2cnc(C)nc2C)CC1 ZINC000681662811 1019585748 /nfs/dbraw/zinc/58/57/48/1019585748.db2.gz JKGOVKKZKNGIPX-MRXNPFEDSA-N 1 3 318.509 3.598 20 0 DHADHO CCCC[N@@H+](C)CC1CCN([C@H](C)c2cnc(C)nc2C)CC1 ZINC000681662811 1019585759 /nfs/dbraw/zinc/58/57/59/1019585759.db2.gz JKGOVKKZKNGIPX-MRXNPFEDSA-N 1 3 318.509 3.598 20 0 DHADHO Cc1cc(CN2CCC(C[NH+](C)C)CC2)cc(C(F)(F)F)c1 ZINC001143455750 1019615833 /nfs/dbraw/zinc/61/58/33/1019615833.db2.gz XUNNGEBFYHAIJP-UHFFFAOYSA-N 1 3 314.395 3.787 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000685455678 1019837205 /nfs/dbraw/zinc/83/72/05/1019837205.db2.gz IIXWFQBZERYUGR-UQHVZDHRSA-N 1 3 308.416 3.531 20 0 DHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC000708563980 1019881626 /nfs/dbraw/zinc/88/16/26/1019881626.db2.gz RBKIUFGFGQXFFC-PXNSSMCTSA-N 1 3 300.490 3.924 20 0 DHADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2ccoc2)CC1 ZINC000730108500 1019945619 /nfs/dbraw/zinc/94/56/19/1019945619.db2.gz NUZUMQZLGGYXTF-UHFFFAOYSA-N 1 3 318.848 3.935 20 0 DHADHO CN1CCCC[C@H]1c1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc1 ZINC001168596245 1019979509 /nfs/dbraw/zinc/97/95/09/1019979509.db2.gz HORQPHMWAMSDRC-BZSNNMDCSA-N 1 3 316.493 3.523 20 0 DHADHO CN1CCCC[C@@H]1c1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc1 ZINC001168596247 1019979634 /nfs/dbraw/zinc/97/96/34/1019979634.db2.gz HORQPHMWAMSDRC-KSZLIROESA-N 1 3 316.493 3.523 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@H]2Cc3cccc(F)c3C2)CC1(C)C ZINC001171780348 1032868261 /nfs/dbraw/zinc/86/82/61/1032868261.db2.gz HXNGDVSKWRJEJY-AWEZNQCLSA-N 1 3 304.453 3.534 20 0 DHADHO C[NH+]1C(C)(C)CC(N[C@H]2Cc3cccc(F)c3C2)CC1(C)C ZINC001171780348 1032868278 /nfs/dbraw/zinc/86/82/78/1032868278.db2.gz HXNGDVSKWRJEJY-AWEZNQCLSA-N 1 3 304.453 3.534 20 0 DHADHO COCCCC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC001119953947 1020241435 /nfs/dbraw/zinc/24/14/35/1020241435.db2.gz LRALNGTWUGFPTE-UHFFFAOYSA-N 1 3 322.537 3.970 20 0 DHADHO COCc1ccccc1CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340171043 1020369741 /nfs/dbraw/zinc/36/97/41/1020369741.db2.gz FMQNEMAHEZYDOR-SFTDATJTSA-N 1 3 324.468 3.758 20 0 DHADHO COCc1ccccc1CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340171043 1020369753 /nfs/dbraw/zinc/36/97/53/1020369753.db2.gz FMQNEMAHEZYDOR-SFTDATJTSA-N 1 3 324.468 3.758 20 0 DHADHO Cl/C=C/C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000903446617 1020439110 /nfs/dbraw/zinc/43/91/10/1020439110.db2.gz ZSGPTXMCDBTBPD-IKZNBADTSA-N 1 3 304.865 3.914 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccc3sccc3c2)[C@H]2CCC[C@@H]21 ZINC000569892573 1020525105 /nfs/dbraw/zinc/52/51/05/1020525105.db2.gz PXKJIWUZMVGQTR-IKGGRYGDSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccc3sccc3c2)[C@H]2CCC[C@@H]21 ZINC000569892573 1020525109 /nfs/dbraw/zinc/52/51/09/1020525109.db2.gz PXKJIWUZMVGQTR-IKGGRYGDSA-N 1 3 300.471 3.864 20 0 DHADHO C[C@@H]1C[C@H](N(C)CCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000172574322 1020531074 /nfs/dbraw/zinc/53/10/74/1020531074.db2.gz VWXXEDZIFKGDRJ-WIYYLYMNSA-N 1 3 323.484 3.609 20 0 DHADHO C[C@@H]1C[C@H](N(C)CCc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000172574322 1020531084 /nfs/dbraw/zinc/53/10/84/1020531084.db2.gz VWXXEDZIFKGDRJ-WIYYLYMNSA-N 1 3 323.484 3.609 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCC1)C1CCC(C(F)(F)F)CC1 ZINC000474888960 1020560808 /nfs/dbraw/zinc/56/08/08/1020560808.db2.gz QIVYZVSXVXRKJV-WLYUNCDWSA-N 1 3 306.416 3.819 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000291082548 1020577655 /nfs/dbraw/zinc/57/76/55/1020577655.db2.gz CCAUTCWFAUSAQP-SFHVURJKSA-N 1 3 302.462 3.622 20 0 DHADHO CC1(C)C[C@@H]([NH2+]Cc2cccc(O)c2)CCN1Cc1ccccc1 ZINC001171967775 1032936858 /nfs/dbraw/zinc/93/68/58/1032936858.db2.gz NFAPZWAVVHCTGJ-IBGZPJMESA-N 1 3 324.468 3.925 20 0 DHADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000926738936 1020903421 /nfs/dbraw/zinc/90/34/21/1020903421.db2.gz WUHIRNAGHXWYAU-CYBMUJFWSA-N 1 3 307.309 3.670 20 0 DHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261916851 1020905705 /nfs/dbraw/zinc/90/57/05/1020905705.db2.gz HCYMMGBEWBSLMY-SCRDCRAPSA-N 1 3 316.367 3.705 20 0 DHADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccncc1 ZINC000174076128 1020953667 /nfs/dbraw/zinc/95/36/67/1020953667.db2.gz AKWRFQIGZPVRGE-ZNDGOPKYSA-N 1 3 321.468 3.928 20 0 DHADHO C[C@H](C[NH2+]C[C@H]1CCCN(CC2CC2)C1)Cc1ccccc1 ZINC000668818305 1020959076 /nfs/dbraw/zinc/95/90/76/1020959076.db2.gz GIUKJKXHEZKGKR-FXAWDEMLSA-N 1 3 300.490 3.577 20 0 DHADHO CC(C)[C@H]1C[C@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCO1 ZINC000537936359 1032946407 /nfs/dbraw/zinc/94/64/07/1032946407.db2.gz OGZPBUQSZGJBLE-RSPOEFSDSA-N 1 3 322.537 3.823 20 0 DHADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000171126315 1020978025 /nfs/dbraw/zinc/97/80/25/1020978025.db2.gz GICFHWUKDSVALV-ZDUSSCGKSA-N 1 3 304.384 3.877 20 0 DHADHO CO[C@@](C)([C@H](C)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C1CC1 ZINC000414228000 1021016291 /nfs/dbraw/zinc/01/62/91/1021016291.db2.gz DCACWHBZYMMCNZ-FVCZOJIISA-N 1 3 322.537 3.823 20 0 DHADHO CO[C@@](C)([C@H](C)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)C1CC1 ZINC000414228000 1021016293 /nfs/dbraw/zinc/01/62/93/1021016293.db2.gz DCACWHBZYMMCNZ-FVCZOJIISA-N 1 3 322.537 3.823 20 0 DHADHO Fc1cccc(F)c1C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000414237901 1021023099 /nfs/dbraw/zinc/02/30/99/1021023099.db2.gz LVHKFSYSVYGEIF-CABCVRRESA-N 1 3 320.427 3.603 20 0 DHADHO Fc1cccc(F)c1C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000414237901 1021023102 /nfs/dbraw/zinc/02/31/02/1021023102.db2.gz LVHKFSYSVYGEIF-CABCVRRESA-N 1 3 320.427 3.603 20 0 DHADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251496916 1021228894 /nfs/dbraw/zinc/22/88/94/1021228894.db2.gz KCZVPSFPMRDSSZ-SCRDCRAPSA-N 1 3 300.368 3.826 20 0 DHADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)CCCO2 ZINC000624120842 1021405815 /nfs/dbraw/zinc/40/58/15/1021405815.db2.gz ICZFTIWCZRCRHN-AEFFLSMTSA-N 1 3 302.462 3.530 20 0 DHADHO Cc1cccnc1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000093190388 1021525519 /nfs/dbraw/zinc/52/55/19/1021525519.db2.gz VGEYQECJGINASW-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1cccnc1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000093190388 1021525524 /nfs/dbraw/zinc/52/55/24/1021525524.db2.gz VGEYQECJGINASW-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO CCCCC[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850517244 1021573240 /nfs/dbraw/zinc/57/32/40/1021573240.db2.gz WZXAPLSRGGADLR-QGZVFWFLSA-N 1 3 303.494 3.852 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3c1cccc3Cl)C2 ZINC001172104405 1033002917 /nfs/dbraw/zinc/00/29/17/1033002917.db2.gz CKHGKVKXXFVLCN-FLTUCWPJSA-N 1 3 304.865 3.932 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3c1cccc3Cl)C2 ZINC001172104405 1033002930 /nfs/dbraw/zinc/00/29/30/1033002930.db2.gz CKHGKVKXXFVLCN-FLTUCWPJSA-N 1 3 304.865 3.932 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3cc(Cl)ccc31)C2 ZINC001172107392 1033009588 /nfs/dbraw/zinc/00/95/88/1033009588.db2.gz WRJDHBUCZMXUFA-CUSZFKRNSA-N 1 3 304.865 3.932 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3cc(Cl)ccc31)C2 ZINC001172107392 1033009602 /nfs/dbraw/zinc/00/96/02/1033009602.db2.gz WRJDHBUCZMXUFA-CUSZFKRNSA-N 1 3 304.865 3.932 20 0 DHADHO COc1cccc([C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001172108905 1033013410 /nfs/dbraw/zinc/01/34/10/1033013410.db2.gz FNRTUZYDPGJERO-AJYBTWMASA-N 1 3 314.473 3.751 20 0 DHADHO COc1cccc([C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001172108905 1033013419 /nfs/dbraw/zinc/01/34/19/1033013419.db2.gz FNRTUZYDPGJERO-AJYBTWMASA-N 1 3 314.473 3.751 20 0 DHADHO COc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC001172113653 1033015781 /nfs/dbraw/zinc/01/57/81/1033015781.db2.gz FECXOQDHKWDGJX-BCDXTJNWSA-N 1 3 324.468 3.953 20 0 DHADHO COc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC001172113653 1033015790 /nfs/dbraw/zinc/01/57/90/1033015790.db2.gz FECXOQDHKWDGJX-BCDXTJNWSA-N 1 3 324.468 3.953 20 0 DHADHO C[C@@H](c1ccccn1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619970207 1021988952 /nfs/dbraw/zinc/98/89/52/1021988952.db2.gz ZZKSXBQTBGEABO-KRWDZBQOSA-N 1 3 301.478 3.731 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccccc1-c1cccnc1)C2 ZINC001172112619 1033021065 /nfs/dbraw/zinc/02/10/65/1033021065.db2.gz YHRPQOVLBLQHNB-OWZKRDHZSA-N 1 3 321.468 3.854 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccccc1-c1cccnc1)C2 ZINC001172112619 1033021075 /nfs/dbraw/zinc/02/10/75/1033021075.db2.gz YHRPQOVLBLQHNB-OWZKRDHZSA-N 1 3 321.468 3.854 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H](C)SC)ccc1OC ZINC000183378109 1022123006 /nfs/dbraw/zinc/12/30/06/1022123006.db2.gz NMIUMGDAIJEOGD-CABCVRRESA-N 1 3 324.534 3.939 20 0 DHADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000853093011 1022216994 /nfs/dbraw/zinc/21/69/94/1022216994.db2.gz ZDLLGTXAWZBUHN-XHSDSOJGSA-N 1 3 318.427 3.819 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1F)C1CCC1)C2 ZINC001169100534 1022247373 /nfs/dbraw/zinc/24/73/73/1022247373.db2.gz KRLZHAYKDWVJJC-OAFZBRQQSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1cccc(F)c1)C1CCC1)C2 ZINC001169101308 1022247807 /nfs/dbraw/zinc/24/78/07/1022247807.db2.gz RAIKZWQIFGYREG-RDGPPVDQSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1cccc(F)c1)C1CCC1)C2 ZINC001169101308 1022247816 /nfs/dbraw/zinc/24/78/16/1022247816.db2.gz RAIKZWQIFGYREG-RDGPPVDQSA-N 1 3 302.437 3.882 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C/C(=C/F)CCc1ccc(F)cc1)C2 ZINC001169102088 1022248441 /nfs/dbraw/zinc/24/84/41/1022248441.db2.gz WZOJOWDIKURFLB-LIJOYRMGSA-N 1 3 320.427 3.827 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](C)C2CC2)ccc1OC ZINC000182231086 1022271478 /nfs/dbraw/zinc/27/14/78/1022271478.db2.gz PSYGHDOPIMFKEK-HUUCEWRRSA-N 1 3 304.478 3.986 20 0 DHADHO C[C@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCc2ccc(Cl)cc21 ZINC001169155655 1022285704 /nfs/dbraw/zinc/28/57/04/1022285704.db2.gz UFSPEUVDMDLCOJ-VIBAHUMZSA-N 1 3 318.892 3.927 20 0 DHADHO C[C@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCc2ccc(Cl)cc21 ZINC001169155655 1022285715 /nfs/dbraw/zinc/28/57/15/1022285715.db2.gz UFSPEUVDMDLCOJ-VIBAHUMZSA-N 1 3 318.892 3.927 20 0 DHADHO CC[C@H](COC)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000155245025 1022382996 /nfs/dbraw/zinc/38/29/96/1022382996.db2.gz SCZJTUVQDRJCLJ-QGZVFWFLSA-N 1 3 324.896 3.567 20 0 DHADHO C[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000155979960 1022432141 /nfs/dbraw/zinc/43/21/41/1022432141.db2.gz MDKACQDDOZLGHD-FXAWDEMLSA-N 1 3 309.457 3.787 20 0 DHADHO C[C@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000155979960 1022432148 /nfs/dbraw/zinc/43/21/48/1022432148.db2.gz MDKACQDDOZLGHD-FXAWDEMLSA-N 1 3 309.457 3.787 20 0 DHADHO C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272175962 1022493885 /nfs/dbraw/zinc/49/38/85/1022493885.db2.gz JBNBCYRTMUIOLI-CRAIPNDOSA-N 1 3 300.471 3.748 20 0 DHADHO CCC[C@H](NC1CC[NH+](CCCOC)CC1)c1cccc(F)c1 ZINC001172246145 1033067177 /nfs/dbraw/zinc/06/71/77/1033067177.db2.gz GFOLZTKIZAAMEF-IBGZPJMESA-N 1 3 322.468 3.757 20 0 DHADHO Cc1cc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000621775522 1022868453 /nfs/dbraw/zinc/86/84/53/1022868453.db2.gz QVHXCGGCWKATSL-LEWJYISDSA-N 1 3 323.484 3.562 20 0 DHADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000925643497 1022928404 /nfs/dbraw/zinc/92/84/04/1022928404.db2.gz JLAPOHMPMLHYFT-KFWWJZLASA-N 1 3 314.395 3.828 20 0 DHADHO CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001172326156 1033089749 /nfs/dbraw/zinc/08/97/49/1033089749.db2.gz CDNPJXVQAKSURX-IAGOWNOFSA-N 1 3 310.526 3.824 20 0 DHADHO C[C@@H]([NH3+])C[C@@H](C)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622043715 1023003957 /nfs/dbraw/zinc/00/39/57/1023003957.db2.gz IMMMMPBZFJDTDT-VXGBXAGGSA-N 1 3 300.368 3.800 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NC2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000622043801 1023005395 /nfs/dbraw/zinc/00/53/95/1023005395.db2.gz MMSGDFLWJYJWMP-HUUCEWRRSA-N 1 3 312.379 3.944 20 0 DHADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c(OC(C)C)c1 ZINC000167693620 1023043669 /nfs/dbraw/zinc/04/36/69/1023043669.db2.gz JVWKFOJGAUNKJB-XYJFISCASA-N 1 3 304.478 3.601 20 0 DHADHO c1ccc(SCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250540727 1023086772 /nfs/dbraw/zinc/08/67/72/1023086772.db2.gz RKUUDFRMUZXFSM-KZNAEPCWSA-N 1 3 304.503 3.679 20 0 DHADHO COc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1C ZINC000769233882 1023103517 /nfs/dbraw/zinc/10/35/17/1023103517.db2.gz RFJUJENHNZUUER-UHFFFAOYSA-N 1 3 312.457 3.697 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000769876896 1023239113 /nfs/dbraw/zinc/23/91/13/1023239113.db2.gz UXXOUHIJBOPMEW-LSDHHAIUSA-N 1 3 307.482 3.708 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000769876896 1023239117 /nfs/dbraw/zinc/23/91/17/1023239117.db2.gz UXXOUHIJBOPMEW-LSDHHAIUSA-N 1 3 307.482 3.708 20 0 DHADHO [NH3+]CC1(F)CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC001222533445 1023244508 /nfs/dbraw/zinc/24/45/08/1023244508.db2.gz ZIQMWHKBORSILP-UHFFFAOYSA-N 1 3 322.371 3.561 20 0 DHADHO ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925701988 1023277145 /nfs/dbraw/zinc/27/71/45/1023277145.db2.gz IYFKLZZFGCLYBX-SOUVJXGZSA-N 1 3 319.320 3.718 20 0 DHADHO c1cncc([C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C2CCCCC2)c1 ZINC000652138563 1023355648 /nfs/dbraw/zinc/35/56/48/1023355648.db2.gz IHXXDEWNNHUSSB-OXQOHEQNSA-N 1 3 313.489 3.777 20 0 DHADHO c1cncc([C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CCCCC2)c1 ZINC000652138563 1023355661 /nfs/dbraw/zinc/35/56/61/1023355661.db2.gz IHXXDEWNNHUSSB-OXQOHEQNSA-N 1 3 313.489 3.777 20 0 DHADHO CC[C@H](C)OCC[C@@H](C)[NH+]1CCC(N)(c2ccccc2F)CC1 ZINC001172341438 1033127002 /nfs/dbraw/zinc/12/70/02/1033127002.db2.gz ZXJZUKAOWBTMLM-CVEARBPZSA-N 1 3 322.468 3.669 20 0 DHADHO C[C@@H]1CC[C@@H]([NH+]2CCC(N)(Cc3ccc(F)cc3)CC2)C[C@H]1C ZINC001172365553 1033144742 /nfs/dbraw/zinc/14/47/42/1033144742.db2.gz ABKDMIUEIBPXES-GPMSIDNRSA-N 1 3 318.480 3.986 20 0 DHADHO CCOCC[C@H](C)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172427810 1033165343 /nfs/dbraw/zinc/16/53/43/1033165343.db2.gz UEGWMHFNAIZTHY-INIZCTEOSA-N 1 3 322.468 3.537 20 0 DHADHO CCOCC[C@H](C)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172427810 1033165349 /nfs/dbraw/zinc/16/53/49/1033165349.db2.gz UEGWMHFNAIZTHY-INIZCTEOSA-N 1 3 322.468 3.537 20 0 DHADHO CCOCC[C@@H](C)[NH+]1CCC(N(CC)Cc2ccccc2)CC1 ZINC001172429386 1033165690 /nfs/dbraw/zinc/16/56/90/1033165690.db2.gz XMZFYOXXTFGCOH-GOSISDBHSA-N 1 3 318.505 3.788 20 0 DHADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)NCCC(C)(C)[NH3+] ZINC000925740048 1023846964 /nfs/dbraw/zinc/84/69/64/1023846964.db2.gz GPQHODMTQCKFLW-GFCCVEGCSA-N 1 3 303.475 3.897 20 0 DHADHO Cc1cncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000249041513 1023917527 /nfs/dbraw/zinc/91/75/27/1023917527.db2.gz UVPMGORQZGMBOI-WKCHPHFGSA-N 1 3 321.468 3.675 20 0 DHADHO C[NH+](C)CCC1CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000194352532 1023998671 /nfs/dbraw/zinc/99/86/71/1023998671.db2.gz MNAVABNZFTVAFF-UHFFFAOYSA-N 1 3 319.474 3.567 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2ccccc2C)C[C@@H]1C ZINC000531141209 1024032371 /nfs/dbraw/zinc/03/23/71/1024032371.db2.gz RVHLHZIASLSZEP-ZWKOTPCHSA-N 1 3 304.478 3.569 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCCOc2ccccc2C)C[C@@H]1C ZINC000531141209 1024032399 /nfs/dbraw/zinc/03/23/99/1024032399.db2.gz RVHLHZIASLSZEP-ZWKOTPCHSA-N 1 3 304.478 3.569 20 0 DHADHO CCN(C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318704 1024107470 /nfs/dbraw/zinc/10/74/70/1024107470.db2.gz DTJPRNFQOFMMHU-UKRRQHHQSA-N 1 3 314.395 3.568 20 0 DHADHO CCN(C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318705 1024107945 /nfs/dbraw/zinc/10/79/45/1024107945.db2.gz DTJPRNFQOFMMHU-ZFWWWQNUSA-N 1 3 314.395 3.568 20 0 DHADHO C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000269003733 1024218997 /nfs/dbraw/zinc/21/89/97/1024218997.db2.gz MCAXGZUAYMUUCW-NSHDSACASA-N 1 3 312.379 3.771 20 0 DHADHO CC(C)c1c[nH]c(CNC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000883074759 1024231077 /nfs/dbraw/zinc/23/10/77/1024231077.db2.gz ICSFTJMIJUWGGO-UHFFFAOYSA-N 1 3 318.509 3.666 20 0 DHADHO c1ccc(CN2CC[C@H]([NH2+]Cc3cccnc3)[C@H]3CCC[C@H]32)cc1 ZINC000453061283 1024311092 /nfs/dbraw/zinc/31/10/92/1024311092.db2.gz SNPKHEPVVWKMNX-QHAWAJNXSA-N 1 3 321.468 3.614 20 0 DHADHO CCSc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000883244798 1024316209 /nfs/dbraw/zinc/31/62/09/1024316209.db2.gz XBXLSROWSYVFNP-UHFFFAOYSA-N 1 3 304.503 3.763 20 0 DHADHO COCCC[NH+]1CCC(N[C@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453091893 1024326492 /nfs/dbraw/zinc/32/64/92/1024326492.db2.gz NDDYXFPNZBDXAR-PBHICJAKSA-N 1 3 322.518 3.777 20 0 DHADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)CCCc2cccnc2)C1 ZINC000453181971 1024385644 /nfs/dbraw/zinc/38/56/44/1024385644.db2.gz WRNKNCJBDVWXPN-QUCCMNQESA-N 1 3 317.521 3.750 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000270504688 1024397154 /nfs/dbraw/zinc/39/71/54/1024397154.db2.gz OEQJJLVRNJBTTK-QWRGUYRKSA-N 1 3 316.276 3.568 20 0 DHADHO CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468961 1024414023 /nfs/dbraw/zinc/41/40/23/1024414023.db2.gz NREHJOSXGBWKHF-IRXDYDNUSA-N 1 3 306.519 3.781 20 0 DHADHO CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467702 1024414868 /nfs/dbraw/zinc/41/48/68/1024414868.db2.gz HFNYNSRXACWJFA-WOJBJXKFSA-N 1 3 300.490 3.719 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccccc1C(F)(F)F ZINC000925778125 1024432683 /nfs/dbraw/zinc/43/26/83/1024432683.db2.gz IDVSHAXXMZFYMH-GHMZBOCLSA-N 1 3 322.321 3.601 20 0 DHADHO [NH3+]CC[C@@H]1CCCCN1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883428602 1024434612 /nfs/dbraw/zinc/43/46/12/1024434612.db2.gz YBNIFEPQZIWAPY-OTWHNJEPSA-N 1 3 302.462 3.500 20 0 DHADHO c1ccc([C@@H]2CCC[C@@H](C[N@@H+]3CCNCCC34CCC4)O2)cc1 ZINC000883460233 1024438435 /nfs/dbraw/zinc/43/84/35/1024438435.db2.gz SCDJDHITLLDYHD-OALUTQOASA-N 1 3 314.473 3.515 20 0 DHADHO c1ccc([C@@H]2CCC[C@@H](C[N@H+]3CCNCCC34CCC4)O2)cc1 ZINC000883460233 1024438441 /nfs/dbraw/zinc/43/84/41/1024438441.db2.gz SCDJDHITLLDYHD-OALUTQOASA-N 1 3 314.473 3.515 20 0 DHADHO CC(C)OCC[C@H](C)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172459785 1033213343 /nfs/dbraw/zinc/21/33/43/1033213343.db2.gz LXBQRACBUMEGED-KRWDZBQOSA-N 1 3 310.526 3.919 20 0 DHADHO CC(C)OCC[C@H](C)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172459785 1033213349 /nfs/dbraw/zinc/21/33/49/1033213349.db2.gz LXBQRACBUMEGED-KRWDZBQOSA-N 1 3 310.526 3.919 20 0 DHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000271497475 1024522884 /nfs/dbraw/zinc/52/28/84/1024522884.db2.gz LLIFCFGDHMPBFS-ACJLOTCBSA-N 1 3 321.428 3.632 20 0 DHADHO CCSc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925786933 1024524672 /nfs/dbraw/zinc/52/46/72/1024524672.db2.gz YCDSQLWMWQJCJR-TZMCWYRMSA-N 1 3 314.445 3.694 20 0 DHADHO CCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000532246703 1024584612 /nfs/dbraw/zinc/58/46/12/1024584612.db2.gz MRMBYTFPLOSWTD-JFIYKMOQSA-N 1 3 304.478 3.602 20 0 DHADHO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000353513081 1025103009 /nfs/dbraw/zinc/10/30/09/1025103009.db2.gz DXKNTNNDUFQQNF-SWLSCSKDSA-N 1 3 318.383 3.966 20 0 DHADHO CCCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000353522217 1025107310 /nfs/dbraw/zinc/10/73/10/1025107310.db2.gz GIPYNSLRNPACGI-QAPCUYQASA-N 1 3 317.477 3.517 20 0 DHADHO CCCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000353522217 1025107317 /nfs/dbraw/zinc/10/73/17/1025107317.db2.gz GIPYNSLRNPACGI-QAPCUYQASA-N 1 3 317.477 3.517 20 0 DHADHO COCCCC[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000348327968 1025181676 /nfs/dbraw/zinc/18/16/76/1025181676.db2.gz UQQBKXHZCALVQA-OALUTQOASA-N 1 3 304.478 3.618 20 0 DHADHO COCCCC[C@H](NCC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000348327968 1025181738 /nfs/dbraw/zinc/18/17/38/1025181738.db2.gz UQQBKXHZCALVQA-OALUTQOASA-N 1 3 304.478 3.618 20 0 DHADHO COCCCC[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccccc1 ZINC000348327968 1025181770 /nfs/dbraw/zinc/18/17/70/1025181770.db2.gz UQQBKXHZCALVQA-OALUTQOASA-N 1 3 304.478 3.618 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2c(C)oc3ccccc32)[C@H](C)C1 ZINC000353746081 1025227827 /nfs/dbraw/zinc/22/78/27/1025227827.db2.gz KTIZPJQOGGXOQD-KDOFPFPSSA-N 1 3 300.446 3.903 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2c(C)oc3ccccc32)[C@H](C)C1 ZINC000353746081 1025227835 /nfs/dbraw/zinc/22/78/35/1025227835.db2.gz KTIZPJQOGGXOQD-KDOFPFPSSA-N 1 3 300.446 3.903 20 0 DHADHO CCCCN1CCC([NH2+][C@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000122964665 1025250967 /nfs/dbraw/zinc/25/09/67/1025250967.db2.gz OQABCWCVOXBKRX-OAHLLOKOSA-N 1 3 317.477 3.560 20 0 DHADHO Cc1n[nH]c(C)c1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000354026724 1025325414 /nfs/dbraw/zinc/32/54/14/1025325414.db2.gz XYMPIPXHUNLUAJ-HNNXBMFYSA-N 1 3 318.509 3.503 20 0 DHADHO Cc1n[nH]c(C)c1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000354026724 1025325421 /nfs/dbraw/zinc/32/54/21/1025325421.db2.gz XYMPIPXHUNLUAJ-HNNXBMFYSA-N 1 3 318.509 3.503 20 0 DHADHO CCCC[C@@H](CC)CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000438095979 1025372495 /nfs/dbraw/zinc/37/24/95/1025372495.db2.gz IHZQLCJDCNUQHB-UXHICEINSA-N 1 3 323.569 3.695 20 0 DHADHO CCCC[C@@H](CC)CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000438095979 1025372512 /nfs/dbraw/zinc/37/25/12/1025372512.db2.gz IHZQLCJDCNUQHB-UXHICEINSA-N 1 3 323.569 3.695 20 0 DHADHO CO[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000885953929 1025417311 /nfs/dbraw/zinc/41/73/11/1025417311.db2.gz JRHBGKSXDCWWOB-PKOBYXMFSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H](NCCOC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127666 1025518706 /nfs/dbraw/zinc/51/87/06/1025518706.db2.gz PFHLXSQZMYKKAD-SJORKVTESA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H](NCCOC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127666 1025518716 /nfs/dbraw/zinc/51/87/16/1025518716.db2.gz PFHLXSQZMYKKAD-SJORKVTESA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H]([NH2+]CCOC1CCCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000886127666 1025518729 /nfs/dbraw/zinc/51/87/29/1025518729.db2.gz PFHLXSQZMYKKAD-SJORKVTESA-N 1 3 308.510 3.578 20 0 DHADHO CN(C)CCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000539163119 1033290291 /nfs/dbraw/zinc/29/02/91/1033290291.db2.gz CEGZTTXPYNSTFL-HNNXBMFYSA-N 1 3 301.261 3.986 20 0 DHADHO Cc1cc(C[NH2+]C2CC(N3CCCCC3)C2)cc2cccnc12 ZINC000355580196 1025772254 /nfs/dbraw/zinc/77/22/54/1025772254.db2.gz GOPYHDDWKYVQJH-UHFFFAOYSA-N 1 3 309.457 3.650 20 0 DHADHO COc1ccc2cc(CN(C)[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2c1 ZINC000093643873 1026120822 /nfs/dbraw/zinc/12/08/22/1026120822.db2.gz MBCIQSNSLLDXFJ-BEFAXECRSA-N 1 3 312.457 3.763 20 0 DHADHO COc1ccc2cc(CN(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)ccc2c1 ZINC000093643873 1026120826 /nfs/dbraw/zinc/12/08/26/1026120826.db2.gz MBCIQSNSLLDXFJ-BEFAXECRSA-N 1 3 312.457 3.763 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2C(F)(F)F)C1 ZINC000623867165 1026234910 /nfs/dbraw/zinc/23/49/10/1026234910.db2.gz SAOVKKFJKURKPX-VXGBXAGGSA-N 1 3 318.358 3.837 20 0 DHADHO COc1ccccc1/C=C\CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739116 1026611484 /nfs/dbraw/zinc/61/14/84/1026611484.db2.gz XWKRCMZSAMXMNI-CLFYSBASSA-N 1 3 324.468 3.902 20 0 DHADHO CC(C)Oc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1Cl ZINC000420282421 1026796391 /nfs/dbraw/zinc/79/63/91/1026796391.db2.gz BKDWIMIHRSGYBL-ZDUSSCGKSA-N 1 3 310.869 3.686 20 0 DHADHO COc1ccc([C@H](C[NH3+])CN2CCC(c3ccccc3)CC2)cc1 ZINC000420316588 1026800461 /nfs/dbraw/zinc/80/04/61/1026800461.db2.gz MPNKQYSRQSKQQP-HXUWFJFHSA-N 1 3 324.468 3.617 20 0 DHADHO C[C@H](c1cccc(Cl)c1)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420391938 1026812975 /nfs/dbraw/zinc/81/29/75/1026812975.db2.gz OVPHRJDPYCVOKQ-XWIAVFTESA-N 1 3 322.880 3.619 20 0 DHADHO Cc1ccsc1[C@@H](Cc1ccccc1)NC[C@H]1CCC[NH2+]C1 ZINC000420399437 1026813557 /nfs/dbraw/zinc/81/35/57/1026813557.db2.gz HUNZLATWRPWMLK-ZWKOTPCHSA-N 1 3 314.498 3.930 20 0 DHADHO COc1ccc([C@@H](CN)C[NH2+][C@@H](C)c2cccc(C)c2C)cc1 ZINC000420415732 1026814642 /nfs/dbraw/zinc/81/46/42/1026814642.db2.gz VDGDMHCKQBGSSV-WMZOPIPTSA-N 1 3 312.457 3.705 20 0 DHADHO COc1ccc([C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)C(C)C)c(F)c1 ZINC000421820245 1027065762 /nfs/dbraw/zinc/06/57/62/1027065762.db2.gz LNKKPDLSYLWSQS-AUUYWEPGSA-N 1 3 320.452 3.605 20 0 DHADHO CC(C)[N@H+](C)CC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000571591858 1027136063 /nfs/dbraw/zinc/13/60/63/1027136063.db2.gz ODMCMGBKXJRFFV-UHFFFAOYSA-N 1 3 317.452 3.859 20 0 DHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000571591858 1027136068 /nfs/dbraw/zinc/13/60/68/1027136068.db2.gz ODMCMGBKXJRFFV-UHFFFAOYSA-N 1 3 317.452 3.859 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422770038 1027315394 /nfs/dbraw/zinc/31/53/94/1027315394.db2.gz WFICRLJEUDJGCB-CYBMUJFWSA-N 1 3 315.436 3.616 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422776936 1027317602 /nfs/dbraw/zinc/31/76/02/1027317602.db2.gz BHHORYLWPXJEPK-CABCVRRESA-N 1 3 312.379 3.597 20 0 DHADHO c1ccc2nc(CCN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000422777259 1027319970 /nfs/dbraw/zinc/31/99/70/1027319970.db2.gz FFSWUTQTVRYVEF-CEWLAPEOSA-N 1 3 323.484 3.678 20 0 DHADHO Cc1ccc(SCC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422763038 1027323815 /nfs/dbraw/zinc/32/38/15/1027323815.db2.gz ITJVLXOZXSLRHT-CQSZACIVSA-N 1 3 315.486 3.600 20 0 DHADHO COc1ccc([C@H](C)CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422785739 1027324644 /nfs/dbraw/zinc/32/46/44/1027324644.db2.gz RKWYOQWWKWSDJW-JSNMRZPZSA-N 1 3 310.441 3.923 20 0 DHADHO CCOc1ccc([C@H](N[C@@H](C)C[C@H](C)[NH3+])C(C)C)cc1OCC ZINC000422799690 1027328229 /nfs/dbraw/zinc/32/82/29/1027328229.db2.gz YAPWIJVIHNGSRV-YZVOILCLSA-N 1 3 322.493 3.897 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccccc2)CCC1 ZINC000422812166 1027330817 /nfs/dbraw/zinc/33/08/17/1027330817.db2.gz QBVSIPAUBSBYBF-HNNXBMFYSA-N 1 3 309.457 3.621 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(COCc2ccccc2)cc1 ZINC000422867387 1027346874 /nfs/dbraw/zinc/34/68/74/1027346874.db2.gz SBSTWXOWNUAJJE-DLBZAZTESA-N 1 3 312.457 3.619 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(OCc2ccccc2)cc1 ZINC000422885059 1027350557 /nfs/dbraw/zinc/35/05/57/1027350557.db2.gz TWPZNANUNNSJIF-UTKZUKDTSA-N 1 3 324.468 3.743 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NC1(c2ccc(Br)cc2)CCC1 ZINC000422933052 1027364335 /nfs/dbraw/zinc/36/43/35/1027364335.db2.gz DCQUMTFZSPKCPU-NWDGAFQWSA-N 1 3 311.267 3.544 20 0 DHADHO C[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)Oc1ccccc1Cl ZINC000422918449 1027372448 /nfs/dbraw/zinc/37/24/48/1027372448.db2.gz IDHIUSVJLNBUGR-DQYPLSBCSA-N 1 3 316.832 3.842 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422964782 1027373718 /nfs/dbraw/zinc/37/37/18/1027373718.db2.gz JLHLHOUOLNIVRD-QGZVFWFLSA-N 1 3 323.484 3.864 20 0 DHADHO CC(C)c1ccccc1OCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000422955589 1027378557 /nfs/dbraw/zinc/37/85/57/1027378557.db2.gz JQTWAKOLYNYCLD-MOPGFXCFSA-N 1 3 310.441 3.923 20 0 DHADHO CC[C@H](CSc1ccc(C)c(C)c1)N[C@H]1CCC[NH2+]CC1 ZINC000422999027 1027387727 /nfs/dbraw/zinc/38/77/27/1027387727.db2.gz DMHMIBGLPPIEQN-SJORKVTESA-N 1 3 306.519 3.906 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000422995711 1027393100 /nfs/dbraw/zinc/39/31/00/1027393100.db2.gz YWAQTBIVRHRWMX-KUHUBIRLSA-N 1 3 309.457 3.922 20 0 DHADHO C[C@@H](CCC[NH3+])NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000423045753 1027394692 /nfs/dbraw/zinc/39/46/92/1027394692.db2.gz CMBFSUPUIRNONR-LBPRGKRZSA-N 1 3 315.442 3.773 20 0 DHADHO Cc1ccc2c(CCN[C@@H]3C[C@@H]([NH3+])c4ccccc43)cn(C)c2c1 ZINC000423064242 1027404300 /nfs/dbraw/zinc/40/43/00/1027404300.db2.gz YOTOTVJUTAEXBO-WOJBJXKFSA-N 1 3 319.452 3.764 20 0 DHADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC000423066816 1027408330 /nfs/dbraw/zinc/40/83/30/1027408330.db2.gz YBFQXDQGFPQUCU-HZPDHXFCSA-N 1 3 310.844 3.760 20 0 DHADHO [NH3+][C@@H]1CCCCC[C@H]1NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423099261 1027415240 /nfs/dbraw/zinc/41/52/40/1027415240.db2.gz LVAQDHAMANATJA-DNDXXGFKSA-N 1 3 310.844 3.975 20 0 DHADHO COc1ccc([C@H](Cc2ccccc2)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423126636 1027420977 /nfs/dbraw/zinc/42/09/77/1027420977.db2.gz SBFMFYDZNNZIBY-QINHECLXSA-N 1 3 312.457 3.694 20 0 DHADHO FC(F)(F)C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCC1 ZINC000423111958 1027427352 /nfs/dbraw/zinc/42/73/52/1027427352.db2.gz RJFJTAYCYLQGFA-MGPQQGTHSA-N 1 3 304.400 3.619 20 0 DHADHO Fc1cccc2c1CCC[C@@H]2N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423144972 1027427994 /nfs/dbraw/zinc/42/79/94/1027427994.db2.gz INKWRHGNSQOPDV-WZGPROSRSA-N 1 3 302.437 3.713 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000575101404 1027454499 /nfs/dbraw/zinc/45/44/99/1027454499.db2.gz JXTJFAMSCFFHDO-CQSZACIVSA-N 1 3 312.860 3.732 20 0 DHADHO COc1ccc([C@H](N[C@H]2CCC[C@@H]([NH+](C)C)C2)C(C)C)cc1 ZINC000575147304 1027459003 /nfs/dbraw/zinc/45/90/03/1027459003.db2.gz SFXQYEUXUYSXIN-YQVWRLOYSA-N 1 3 304.478 3.855 20 0 DHADHO COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)C(C)C)cc1 ZINC000575147304 1027459008 /nfs/dbraw/zinc/45/90/08/1027459008.db2.gz SFXQYEUXUYSXIN-YQVWRLOYSA-N 1 3 304.478 3.855 20 0 DHADHO CC[C@@H](CSc1ccc(Cl)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000423220009 1027463197 /nfs/dbraw/zinc/46/31/97/1027463197.db2.gz XQJRVNYJNKDMDU-HIFRSBDPSA-N 1 3 312.910 3.800 20 0 DHADHO C[C@@H](NC1CCC([NH3+])CC1)c1csc(-c2ccccc2F)n1 ZINC000423231771 1027469641 /nfs/dbraw/zinc/46/96/41/1027469641.db2.gz LTSGDKOPFHVWND-PNESKVBLSA-N 1 3 319.449 3.870 20 0 DHADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423241144 1027470561 /nfs/dbraw/zinc/47/05/61/1027470561.db2.gz DECUGAIGEJKXDC-OLZOCXBDSA-N 1 3 319.449 3.599 20 0 DHADHO CCC([NH3+])(CC)CN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423292906 1027481475 /nfs/dbraw/zinc/48/14/75/1027481475.db2.gz OXPLPPYTHIEWLO-LBPRGKRZSA-N 1 3 302.384 3.744 20 0 DHADHO Cc1ccc(OC(F)F)c([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423284512 1027483389 /nfs/dbraw/zinc/48/33/89/1027483389.db2.gz YENLTQBZGOYPKF-GZBFAFLISA-N 1 3 312.404 3.765 20 0 DHADHO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(C)ccc1OC ZINC000295926782 1027490809 /nfs/dbraw/zinc/49/08/09/1027490809.db2.gz KIHHWEFVKKRWBT-YCXXCVGLSA-N 1 3 302.462 3.670 20 0 DHADHO CCOc1ccc([C@H](CC)[NH2+]C[C@H](N)C(C)C)cc1OCC ZINC000423280655 1027493953 /nfs/dbraw/zinc/49/39/53/1027493953.db2.gz UFBBKGJQNBXDER-HOTGVXAUSA-N 1 3 308.466 3.508 20 0 DHADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423314850 1027496690 /nfs/dbraw/zinc/49/66/90/1027496690.db2.gz HYWHMLHMYAZOPV-IAQYHMDHSA-N 1 3 304.434 3.942 20 0 DHADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423300138 1027504262 /nfs/dbraw/zinc/50/42/62/1027504262.db2.gz QWPBUZWSWOVEPF-GHMZBOCLSA-N 1 3 306.397 3.586 20 0 DHADHO C[C@@H](CN)C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423303778 1027504729 /nfs/dbraw/zinc/50/47/29/1027504729.db2.gz JMSVCEPWPQSGDK-FUJMWEONSA-N 1 3 314.395 3.916 20 0 DHADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)c(Cl)c1 ZINC000423403840 1027536858 /nfs/dbraw/zinc/53/68/58/1027536858.db2.gz XIQDZKXDJLOBSQ-NSHDSACASA-N 1 3 304.796 3.933 20 0 DHADHO CC(C)Oc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423407326 1027537967 /nfs/dbraw/zinc/53/79/67/1027537967.db2.gz ZVIWFXHGPQIXNR-OAHLLOKOSA-N 1 3 310.441 3.928 20 0 DHADHO Cc1cc(N)cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000423471875 1027558746 /nfs/dbraw/zinc/55/87/46/1027558746.db2.gz FOMYVSRTUKRJGG-XLIONFOSSA-N 1 3 323.484 3.577 20 0 DHADHO Cc1cc(N)cc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000423471875 1027558747 /nfs/dbraw/zinc/55/87/47/1027558747.db2.gz FOMYVSRTUKRJGG-XLIONFOSSA-N 1 3 323.484 3.577 20 0 DHADHO Cc1cc(N)cc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000423471875 1027558749 /nfs/dbraw/zinc/55/87/49/1027558749.db2.gz FOMYVSRTUKRJGG-XLIONFOSSA-N 1 3 323.484 3.577 20 0 DHADHO C[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1cc(F)cc(F)c1 ZINC000296222888 1027578719 /nfs/dbraw/zinc/57/87/19/1027578719.db2.gz BYLDTKNITNCXLI-CYBMUJFWSA-N 1 3 310.432 3.921 20 0 DHADHO CCc1ccc([C@H](NCC2CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000924965096 1027603821 /nfs/dbraw/zinc/60/38/21/1027603821.db2.gz VUFFHVQBOLBQML-NRFANRHFSA-N 1 3 323.484 3.665 20 0 DHADHO OC[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C1CCCCC1 ZINC000577270525 1027736399 /nfs/dbraw/zinc/73/63/99/1027736399.db2.gz APJNPYCVGQGQCL-GOSISDBHSA-N 1 3 322.537 3.562 20 0 DHADHO c1ccc2c(c1)-c1ccccc1C2N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579007957 1028298692 /nfs/dbraw/zinc/29/86/92/1028298692.db2.gz IRQAUSZQVUNXEU-OAQYLSRUSA-N 1 3 304.437 3.832 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000449130890 1028384771 /nfs/dbraw/zinc/38/47/71/1028384771.db2.gz IOUILAQRVAAAMF-LSDHHAIUSA-N 1 3 310.432 3.778 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449132497 1028386282 /nfs/dbraw/zinc/38/62/82/1028386282.db2.gz UQRIOSNUUUSEAD-PGYGNJIDSA-N 1 3 322.537 3.967 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCCC[C@@H]2O)CC1 ZINC000449143148 1028398468 /nfs/dbraw/zinc/39/84/68/1028398468.db2.gz VWIZAYSBKAHCJY-IRXDYDNUSA-N 1 3 310.526 3.559 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCCC[C@H]2O)CC1 ZINC000449143147 1028399541 /nfs/dbraw/zinc/39/95/41/1028399541.db2.gz VWIZAYSBKAHCJY-IAGOWNOFSA-N 1 3 310.526 3.559 20 0 DHADHO COC1(C[C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000369289916 1028469551 /nfs/dbraw/zinc/46/95/51/1028469551.db2.gz GQENYMHQBORQDX-MRXNPFEDSA-N 1 3 308.510 3.721 20 0 DHADHO CC1CCC(N2CCC([N@H+](C)C[C@H]3CCSC3)CC2)CC1 ZINC000369485902 1028494490 /nfs/dbraw/zinc/49/44/90/1028494490.db2.gz SPPUYCLEGUJVJC-UPTPFMHGSA-N 1 3 310.551 3.714 20 0 DHADHO CC1CCC(N2CCC([N@@H+](C)C[C@H]3CCSC3)CC2)CC1 ZINC000369485902 1028494494 /nfs/dbraw/zinc/49/44/94/1028494494.db2.gz SPPUYCLEGUJVJC-UPTPFMHGSA-N 1 3 310.551 3.714 20 0 DHADHO C[C@@H](Cc1coc2ccccc12)NC1CC([NH+]2CCCCC2)C1 ZINC000449296946 1028519961 /nfs/dbraw/zinc/51/99/61/1028519961.db2.gz DRDZWPYAWBRPHR-ZLPCBKJTSA-N 1 3 312.457 3.970 20 0 DHADHO COc1cc(C)ccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000449294484 1028533771 /nfs/dbraw/zinc/53/37/71/1028533771.db2.gz LRPJTJDUWJCWJB-LJQANCHMSA-N 1 3 324.468 3.615 20 0 DHADHO COc1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc2ccccc21 ZINC000449330949 1028543313 /nfs/dbraw/zinc/54/33/13/1028543313.db2.gz MSKMHJAEBDUGIG-UYAOXDASSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc2ccccc21 ZINC000449330949 1028543320 /nfs/dbraw/zinc/54/33/20/1028543320.db2.gz MSKMHJAEBDUGIG-UYAOXDASSA-N 1 3 324.468 3.765 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@H]2C[C@@]2(C)c2cccs2)CC1 ZINC000370623854 1028626808 /nfs/dbraw/zinc/62/68/08/1028626808.db2.gz CQURXZDHFRYXKH-RDTXWAMCSA-N 1 3 306.519 3.878 20 0 DHADHO CN1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@@H]1c1ccccc1 ZINC000371055066 1028665942 /nfs/dbraw/zinc/66/59/42/1028665942.db2.gz QGMFUEGPPYUTAI-APWZRJJASA-N 1 3 316.395 3.747 20 0 DHADHO CN1CCCC[C@H](C[NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000628425320 1029053756 /nfs/dbraw/zinc/05/37/56/1029053756.db2.gz HHKKRFSMZRLWAC-LRYGQEGESA-N 1 3 316.489 3.740 20 0 DHADHO C[C@H]1CN(CCCC[NH2+]C2CC3(C2)CCCCC3)C[C@H](C)O1 ZINC000817408451 1029149666 /nfs/dbraw/zinc/14/96/66/1029149666.db2.gz ICUNYGHCWAUXRW-IRXDYDNUSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+]C2CC3(C2)CCCCC3)C[C@H](C)O1 ZINC000817408448 1029149727 /nfs/dbraw/zinc/14/97/27/1029149727.db2.gz ICUNYGHCWAUXRW-CALCHBBNSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+]C2CC3(C2)CCCCC3)C[C@@H](C)O1 ZINC000817408450 1029151089 /nfs/dbraw/zinc/15/10/89/1029151089.db2.gz ICUNYGHCWAUXRW-IAGOWNOFSA-N 1 3 308.510 3.578 20 0 DHADHO CCC[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@@H](O)c1ccccc1 ZINC000817927630 1029278141 /nfs/dbraw/zinc/27/81/41/1029278141.db2.gz NVKHQZDUALKLDK-HAGHYFMRSA-N 1 3 310.441 3.623 20 0 DHADHO [NH3+]CCc1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000817948502 1029291408 /nfs/dbraw/zinc/29/14/08/1029291408.db2.gz ZPTPHRSWLIRIQE-KRWDZBQOSA-N 1 3 316.445 3.654 20 0 DHADHO COCC[NH2+]C1CCN(C[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000570167274 1029326389 /nfs/dbraw/zinc/32/63/89/1029326389.db2.gz WVCGVMKHDRHMAG-LJQANCHMSA-N 1 3 318.505 3.517 20 0 DHADHO Cc1cccnc1C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000570238789 1029336356 /nfs/dbraw/zinc/33/63/56/1029336356.db2.gz YNODJXXSUQPHAN-QZTJIDSGSA-N 1 3 323.484 3.636 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544696 1029363698 /nfs/dbraw/zinc/36/36/98/1029363698.db2.gz IZENJUIMKXWOFO-MEDUHNTESA-N 1 3 323.843 3.610 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544697 1029365314 /nfs/dbraw/zinc/36/53/14/1029365314.db2.gz IZENJUIMKXWOFO-ZBEGNZNMSA-N 1 3 323.843 3.610 20 0 DHADHO FC(F)(F)C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000629551601 1029368872 /nfs/dbraw/zinc/36/88/72/1029368872.db2.gz WERNXZJYPSTNFJ-MELADBBJSA-N 1 3 304.400 3.619 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCc2cscn2)CC1 ZINC000450494348 1029515712 /nfs/dbraw/zinc/51/57/12/1029515712.db2.gz LAXNLHPUUYXQGI-INIZCTEOSA-N 1 3 321.534 3.662 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCc2cscn2)CC1 ZINC000450494348 1029515721 /nfs/dbraw/zinc/51/57/21/1029515721.db2.gz LAXNLHPUUYXQGI-INIZCTEOSA-N 1 3 321.534 3.662 20 0 DHADHO CC[N@H+](Cc1ccccc1)C1CCN([C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168128122 1029815355 /nfs/dbraw/zinc/81/53/55/1029815355.db2.gz NNVDKKNLIAMHFG-FXAWDEMLSA-N 1 3 316.489 3.540 20 0 DHADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168128122 1029815362 /nfs/dbraw/zinc/81/53/62/1029815362.db2.gz NNVDKKNLIAMHFG-FXAWDEMLSA-N 1 3 316.489 3.540 20 0 DHADHO C1CC([C@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@H]2CCOC2)C1 ZINC000865759849 1030009623 /nfs/dbraw/zinc/00/96/23/1030009623.db2.gz SPNGGIRMOVFFRK-PXNSSMCTSA-N 1 3 320.521 3.578 20 0 DHADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCC12CCOCC2 ZINC000865778092 1030019512 /nfs/dbraw/zinc/01/95/12/1030019512.db2.gz PUTUQURHWLWJPN-KRWDZBQOSA-N 1 3 320.521 3.580 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000822841714 1030143028 /nfs/dbraw/zinc/14/30/28/1030143028.db2.gz OLDCKUVQJILQLS-MJBXVCDLSA-N 1 3 319.320 3.813 20 0 DHADHO c1ccc(SC2CC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000924700381 1030161992 /nfs/dbraw/zinc/16/19/92/1030161992.db2.gz WKZBYTLQJZFGSV-VUGNNNGISA-N 1 3 302.487 3.526 20 0 DHADHO c1ccc(SC2CC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000924700381 1030162002 /nfs/dbraw/zinc/16/20/02/1030162002.db2.gz WKZBYTLQJZFGSV-VUGNNNGISA-N 1 3 302.487 3.526 20 0 DHADHO CCSc1ccccc1C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000924698199 1030163147 /nfs/dbraw/zinc/16/31/47/1030163147.db2.gz XXUHQRBGVGQMLE-RYQLBKOJSA-N 1 3 318.530 3.946 20 0 DHADHO CCSc1ccccc1C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000924698199 1030163154 /nfs/dbraw/zinc/16/31/54/1030163154.db2.gz XXUHQRBGVGQMLE-RYQLBKOJSA-N 1 3 318.530 3.946 20 0 DHADHO CCSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000924704669 1030165855 /nfs/dbraw/zinc/16/58/55/1030165855.db2.gz GTHYCOWOISGLGZ-HOTGVXAUSA-N 1 3 306.519 3.661 20 0 DHADHO C[C@H](CCc1cccnc1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000866249911 1030179979 /nfs/dbraw/zinc/17/99/79/1030179979.db2.gz QHKWAAULVYZLNT-QGZVFWFLSA-N 1 3 315.505 3.647 20 0 DHADHO CCC[C@@H](NCC1CC[NH+](CC)CC1)c1ncccc1Cl ZINC000924953946 1030232944 /nfs/dbraw/zinc/23/29/44/1030232944.db2.gz GEJBVBMRZIRZRX-MRXNPFEDSA-N 1 3 309.885 3.898 20 0 DHADHO c1oc2ccccc2c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246106160 1030304032 /nfs/dbraw/zinc/30/40/32/1030304032.db2.gz JNFLFHYSTDLSGK-KXBFYZLASA-N 1 3 310.441 3.882 20 0 DHADHO c1oc2ccccc2c1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246106160 1030304050 /nfs/dbraw/zinc/30/40/50/1030304050.db2.gz JNFLFHYSTDLSGK-KXBFYZLASA-N 1 3 310.441 3.882 20 0 DHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171022582 1030345154 /nfs/dbraw/zinc/34/51/54/1030345154.db2.gz NSKPJDRIRDPZER-BZUAXINKSA-N 1 3 306.881 3.660 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCCc2nc(C3CCCCC3)cs2)C12CCC2 ZINC000925571742 1030409775 /nfs/dbraw/zinc/40/97/75/1030409775.db2.gz NIHZLFFVBGXTSI-CVEARBPZSA-N 1 3 319.518 3.593 20 0 DHADHO Cc1ccc2ncc(CN3CC[C@@](C[NH3+])(C(C)(C)C)C3)cc2c1 ZINC000866707801 1030429412 /nfs/dbraw/zinc/42/94/12/1030429412.db2.gz KERAVCYLYKIUMV-FQEVSTJZSA-N 1 3 311.473 3.740 20 0 DHADHO C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc2ncsc2c1 ZINC000925641961 1030431865 /nfs/dbraw/zinc/43/18/65/1030431865.db2.gz DNFAYHWNXNFMIN-UBHSHLNASA-N 1 3 303.475 3.853 20 0 DHADHO [NH3+]CCC[C@@H](NCc1ccc2c(n1)CCCC2)c1ccccc1 ZINC000925662134 1030446260 /nfs/dbraw/zinc/44/62/60/1030446260.db2.gz YGMHLMZFDWSGQJ-LJQANCHMSA-N 1 3 309.457 3.530 20 0 DHADHO [NH3+]CCC[C@H](NCc1ccc2c(n1)CCCC2)c1ccccc1 ZINC000925662133 1030446395 /nfs/dbraw/zinc/44/63/95/1030446395.db2.gz YGMHLMZFDWSGQJ-IBGZPJMESA-N 1 3 309.457 3.530 20 0 DHADHO CC(C)(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)CC(F)(F)F ZINC000925718469 1030463195 /nfs/dbraw/zinc/46/31/95/1030463195.db2.gz WRAOMUWPDQQSHD-UONOGXRCSA-N 1 3 306.416 3.723 20 0 DHADHO CC(C)C[C@@H](N)C[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001246307230 1030486285 /nfs/dbraw/zinc/48/62/85/1030486285.db2.gz DLXMFDUPZCJLHV-GXTWGEPZSA-N 1 3 300.899 3.784 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc2ccccc2c1 ZINC000925781261 1030496103 /nfs/dbraw/zinc/49/61/03/1030496103.db2.gz XQINGXWAUDLSSL-CXAGYDPISA-N 1 3 304.384 3.735 20 0 DHADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CNCCC2(F)F)c2ccccc21 ZINC000925779643 1030496347 /nfs/dbraw/zinc/49/63/47/1030496347.db2.gz YTTJDUAGVQMPKY-JQFCIGGWSA-N 1 3 308.416 3.705 20 0 DHADHO [NH3+][C@H]1C[C@H](NCCc2ccc3ncccc3c2)c2ccccc21 ZINC000925814689 1030506520 /nfs/dbraw/zinc/50/65/20/1030506520.db2.gz OJZFTBJOKACNFO-ICSRJNTNSA-N 1 3 303.409 3.512 20 0 DHADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1cc(Cl)cc(Cl)c1F ZINC000925829614 1030512021 /nfs/dbraw/zinc/51/20/21/1030512021.db2.gz PKPYMSUHIXRPNN-GXSJLCMTSA-N 1 3 323.239 3.537 20 0 DHADHO COC[C@H](CCC[NH3+])N[C@H](C)c1cc(Cl)cc(Cl)c1F ZINC000925829619 1030512194 /nfs/dbraw/zinc/51/21/94/1030512194.db2.gz PKPYMSUHIXRPNN-KOLCDFICSA-N 1 3 323.239 3.537 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CCCCN1 ZINC000925837538 1030515261 /nfs/dbraw/zinc/51/52/61/1030515261.db2.gz GUOONESCKHBYCL-LTIDMASMSA-N 1 3 308.416 3.546 20 0 DHADHO C[C@H](c1ccco1)N(C)CCOCC[N@H+](C)[C@H](C)c1ccco1 ZINC000246920174 1030662535 /nfs/dbraw/zinc/66/25/35/1030662535.db2.gz GNCLQWQJFUIVEA-HZPDHXFCSA-N 1 3 320.433 3.575 20 0 DHADHO C[C@H](c1ccco1)N(C)CCOCC[N@@H+](C)[C@H](C)c1ccco1 ZINC000246920174 1030662547 /nfs/dbraw/zinc/66/25/47/1030662547.db2.gz GNCLQWQJFUIVEA-HZPDHXFCSA-N 1 3 320.433 3.575 20 0 DHADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000246982728 1030664875 /nfs/dbraw/zinc/66/48/75/1030664875.db2.gz IYQMUDGABDPQKQ-JHNDHUHGSA-N 1 3 302.462 3.607 20 0 DHADHO Clc1ccnc2c1CC[C@@H]2NCCCCC[NH+]1CCCC1 ZINC000926486586 1030761426 /nfs/dbraw/zinc/76/14/26/1030761426.db2.gz ILTQSLSVHJETHK-INIZCTEOSA-N 1 3 307.869 3.578 20 0 DHADHO Cc1nc(C)c(CNCc2cccc(C[N@@H+](C)C(C)C)c2)s1 ZINC000076867685 1030820838 /nfs/dbraw/zinc/82/08/38/1030820838.db2.gz RHYMBFDGYHTRRM-UHFFFAOYSA-N 1 3 317.502 3.890 20 0 DHADHO Cc1nc(C)c(CNCc2cccc(C[N@H+](C)C(C)C)c2)s1 ZINC000076867685 1030820864 /nfs/dbraw/zinc/82/08/64/1030820864.db2.gz RHYMBFDGYHTRRM-UHFFFAOYSA-N 1 3 317.502 3.890 20 0 DHADHO Cc1c(F)cc(F)cc1CN1CCC(C2CC[NH+](C)CC2)CC1 ZINC001143764748 1030948994 /nfs/dbraw/zinc/94/89/94/1030948994.db2.gz ZAJODCAREJRTEX-UHFFFAOYSA-N 1 3 322.443 3.827 20 0 DHADHO Cn1c2ccccc2nc1[C@H]1CCCN1CCCCCCC[NH3+] ZINC000844221570 1030998231 /nfs/dbraw/zinc/99/82/31/1030998231.db2.gz GNSLHNSCKMJTDA-GOSISDBHSA-N 1 3 314.477 3.619 20 0 DHADHO CC1([NH+]2CCC2)CCC(N[C@H]2CCCc3scnc32)CC1 ZINC000927037158 1031045579 /nfs/dbraw/zinc/04/55/79/1031045579.db2.gz LNEMRMQADSQDEF-UUCFBXCCSA-N 1 3 305.491 3.517 20 0 DHADHO CC1([NH+]2CCC2)CCC(N[C@@H]2CCCc3scnc32)CC1 ZINC000927037159 1031046679 /nfs/dbraw/zinc/04/66/79/1031046679.db2.gz LNEMRMQADSQDEF-XOYHFGRZSA-N 1 3 305.491 3.517 20 0 DHADHO CCCN(Cc1ccc2nc(C)sc2c1)C1CC[NH2+]CC1 ZINC000261811405 1031068355 /nfs/dbraw/zinc/06/83/55/1031068355.db2.gz HTHZWLKCXZSMMY-UHFFFAOYSA-N 1 3 303.475 3.569 20 0 DHADHO CCC[N@H+](Cc1ccc2nc(C)sc2c1)C1CCNCC1 ZINC000261811405 1031068374 /nfs/dbraw/zinc/06/83/74/1031068374.db2.gz HTHZWLKCXZSMMY-UHFFFAOYSA-N 1 3 303.475 3.569 20 0 DHADHO CCC[N@@H+](Cc1ccc2nc(C)sc2c1)C1CCNCC1 ZINC000261811405 1031068384 /nfs/dbraw/zinc/06/83/84/1031068384.db2.gz HTHZWLKCXZSMMY-UHFFFAOYSA-N 1 3 303.475 3.569 20 0 DHADHO C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CCCCO1 ZINC000347401815 1031222687 /nfs/dbraw/zinc/22/26/87/1031222687.db2.gz SGWATBOOYXILFJ-RBUKOAKNSA-N 1 3 308.510 3.534 20 0 DHADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccnc(Cl)c1 ZINC000123672296 1031232358 /nfs/dbraw/zinc/23/23/58/1031232358.db2.gz BEWIGCHZKAPKOQ-CYBMUJFWSA-N 1 3 303.837 3.647 20 0 DHADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000360035661 1031251203 /nfs/dbraw/zinc/25/12/03/1031251203.db2.gz BOHPJMQKODLIEJ-SJORKVTESA-N 1 3 321.468 3.884 20 0 DHADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000360035661 1031251212 /nfs/dbraw/zinc/25/12/12/1031251212.db2.gz BOHPJMQKODLIEJ-SJORKVTESA-N 1 3 321.468 3.884 20 0 DHADHO CC(C)O[C@@H](CN1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000293081353 1031318165 /nfs/dbraw/zinc/31/81/65/1031318165.db2.gz WGQLNFNAQVQYEB-PMACEKPBSA-N 1 3 316.489 3.570 20 0 DHADHO CC(C)O[C@@H](CN1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000293081353 1031318182 /nfs/dbraw/zinc/31/81/82/1031318182.db2.gz WGQLNFNAQVQYEB-PMACEKPBSA-N 1 3 316.489 3.570 20 0 DHADHO C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc([O-])c1F ZINC000872021277 1031403858 /nfs/dbraw/zinc/40/38/58/1031403858.db2.gz AENNMZJOMYHOGD-HNNXBMFYSA-N 1 3 308.441 3.694 20 0 DHADHO C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000872059324 1031451291 /nfs/dbraw/zinc/45/12/91/1031451291.db2.gz DPZBYPRXNIKMTC-BZSNNMDCSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000872059473 1031451429 /nfs/dbraw/zinc/45/14/29/1031451429.db2.gz FRKCRSIKMDWRQL-DODZYUBVSA-N 1 3 322.537 3.823 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(OC(F)F)cc1 ZINC000537017056 1031483181 /nfs/dbraw/zinc/48/31/81/1031483181.db2.gz GRUACDOUBNAWLY-DZGCQCFKSA-N 1 3 312.404 3.813 20 0 DHADHO CC(C)Oc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)c1 ZINC000537024612 1031490622 /nfs/dbraw/zinc/49/06/22/1031490622.db2.gz RJQXZSWCKNADNM-WMZOPIPTSA-N 1 3 304.478 3.999 20 0 DHADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3c[nH]cc4ccnc3-4)c2c1 ZINC001171169610 1031507058 /nfs/dbraw/zinc/50/70/58/1031507058.db2.gz QGKYKFYZESHAEP-ZDUSSCGKSA-N 1 3 304.397 3.705 20 0 DHADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cncc4cc[nH]c43)c2c1 ZINC001171169610 1031507068 /nfs/dbraw/zinc/50/70/68/1031507068.db2.gz QGKYKFYZESHAEP-ZDUSSCGKSA-N 1 3 304.397 3.705 20 0 DHADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000537180636 1031524485 /nfs/dbraw/zinc/52/44/85/1031524485.db2.gz KYIDGJHKMWZYJT-ICSRJNTNSA-N 1 3 302.506 3.919 20 0 DHADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000537180636 1031524492 /nfs/dbraw/zinc/52/44/92/1031524492.db2.gz KYIDGJHKMWZYJT-ICSRJNTNSA-N 1 3 302.506 3.919 20 0 DHADHO C[C@@H]1CCCN(Cc2cc(C(F)(F)F)co2)[C@@H]1CCC[NH3+] ZINC000872145816 1031537974 /nfs/dbraw/zinc/53/79/74/1031537974.db2.gz ZSNLLVTWBSMPRE-BXUZGUMPSA-N 1 3 304.356 3.638 20 0 DHADHO CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1(C)C ZINC000537294396 1031560289 /nfs/dbraw/zinc/56/02/89/1031560289.db2.gz CQDMURQATHHZSB-FGTMMUONSA-N 1 3 310.526 3.536 20 0 DHADHO CC(C)n1nccc1CN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232186 1031766315 /nfs/dbraw/zinc/76/63/15/1031766315.db2.gz MPXWKWHXLQUYOV-LPHOPBHVSA-N 1 3 318.509 3.584 20 0 DHADHO CC[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccccc1OC ZINC000873237944 1031768965 /nfs/dbraw/zinc/76/89/65/1031768965.db2.gz SNNFLTRXEYUCMF-IBGZPJMESA-N 1 3 310.441 3.582 20 0 DHADHO CCC(CC)(CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000873248080 1031771988 /nfs/dbraw/zinc/77/19/88/1031771988.db2.gz ZFJOIMBKVUMOMQ-MGPQQGTHSA-N 1 3 306.416 3.865 20 0 DHADHO [NH3+]CCCCCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000846221839 1031933847 /nfs/dbraw/zinc/93/38/47/1031933847.db2.gz RCNNHOKWTHQRIO-HNNXBMFYSA-N 1 3 303.475 3.952 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(OCc2ccccc2)cc1 ZINC000105480755 1032043267 /nfs/dbraw/zinc/04/32/67/1032043267.db2.gz WYAQRLULVYIUKC-UTKZUKDTSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(OCc2ccccc2)cc1 ZINC000105480755 1032043284 /nfs/dbraw/zinc/04/32/84/1032043284.db2.gz WYAQRLULVYIUKC-UTKZUKDTSA-N 1 3 324.468 3.695 20 0 DHADHO COc1ccccc1[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000539217949 1033303252 /nfs/dbraw/zinc/30/32/52/1033303252.db2.gz OFYBSUFCTMBILJ-XAUMDUMWSA-N 1 3 316.489 3.999 20 0 DHADHO COc1ccccc1[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000539217949 1033303266 /nfs/dbraw/zinc/30/32/66/1033303266.db2.gz OFYBSUFCTMBILJ-XAUMDUMWSA-N 1 3 316.489 3.999 20 0 DHADHO Cc1ccc2c(c1)C[C@@H](N1CCC([NH3+])(CC3CCC3)CC1)CC2 ZINC001172829066 1033393682 /nfs/dbraw/zinc/39/36/82/1033393682.db2.gz SPJYKHGFXQUWRB-FQEVSTJZSA-N 1 3 312.501 3.836 20 0 DHADHO CC(C)C[N@@H+]1CC[C@H](N[C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844026 1033414770 /nfs/dbraw/zinc/41/47/70/1033414770.db2.gz AMRLCLGKKULLTF-KBPBESRZSA-N 1 3 312.860 3.730 20 0 DHADHO CC(C)C[N@H+]1CC[C@H](N[C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844026 1033414779 /nfs/dbraw/zinc/41/47/79/1033414779.db2.gz AMRLCLGKKULLTF-KBPBESRZSA-N 1 3 312.860 3.730 20 0 DHADHO CC[NH+]1CCC(N(C)[C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172852002 1033421393 /nfs/dbraw/zinc/42/13/93/1033421393.db2.gz DAKKHOKMQXHVRB-ZDUSSCGKSA-N 1 3 312.860 3.826 20 0 DHADHO CO[C@@H]1CCC[C@@H](N2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001172929664 1033475917 /nfs/dbraw/zinc/47/59/17/1033475917.db2.gz ORMPUYTWVBARMP-IAGOWNOFSA-N 1 3 322.880 3.547 20 0 DHADHO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000152384080 1033516048 /nfs/dbraw/zinc/51/60/48/1033516048.db2.gz WHOUFECTGYEPEG-KGLIPLIRSA-N 1 3 324.415 3.731 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1OC(F)F ZINC000152452500 1033525846 /nfs/dbraw/zinc/52/58/46/1033525846.db2.gz KFTLBNKEKOAYHL-CJNGLKHVSA-N 1 3 324.415 3.813 20 0 DHADHO CC1(C)C[C@H](C[NH+]2CCC(N3CCCCC3)CC2)C(C)(C)O1 ZINC000877971915 1033537335 /nfs/dbraw/zinc/53/73/35/1033537335.db2.gz SSWAXQBIMBDZJB-MRXNPFEDSA-N 1 3 308.510 3.530 20 0 DHADHO CC1(C)C[C@H](CN2CCC([NH+]3CCCCC3)CC2)C(C)(C)O1 ZINC000877971915 1033537343 /nfs/dbraw/zinc/53/73/43/1033537343.db2.gz SSWAXQBIMBDZJB-MRXNPFEDSA-N 1 3 308.510 3.530 20 0 DHADHO CCN(CC)CCC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173194377 1033588044 /nfs/dbraw/zinc/58/80/44/1033588044.db2.gz UIHOQVXXIMVIDA-UHFFFAOYSA-N 1 3 304.478 3.698 20 0 DHADHO Cc1cccc(CCN2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000645775965 1033805463 /nfs/dbraw/zinc/80/54/63/1033805463.db2.gz OFTUSMWOHCXZSM-UHFFFAOYSA-N 1 3 315.505 3.521 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cn(C(F)F)c2ccccc12 ZINC000863547962 1034126751 /nfs/dbraw/zinc/12/67/51/1034126751.db2.gz SQQUAUQSXNJTGT-DOMZBBRYSA-N 1 3 307.388 3.514 20 0 DHADHO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889099 1034392748 /nfs/dbraw/zinc/39/27/48/1034392748.db2.gz GCUVXHARBYDTIL-WMLDXEAASA-N 1 3 321.534 3.963 20 0 DHADHO C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889099 1034392757 /nfs/dbraw/zinc/39/27/57/1034392757.db2.gz GCUVXHARBYDTIL-WMLDXEAASA-N 1 3 321.534 3.963 20 0 DHADHO Fc1cccc(CC2(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000480753198 1034430277 /nfs/dbraw/zinc/43/02/77/1034430277.db2.gz ATWDTINXWLAGLJ-ZWKOTPCHSA-N 1 3 302.437 3.507 20 0 DHADHO Fc1cccc(CC2(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000480753198 1034430283 /nfs/dbraw/zinc/43/02/83/1034430283.db2.gz ATWDTINXWLAGLJ-ZWKOTPCHSA-N 1 3 302.437 3.507 20 0 DHADHO CCc1nc2c(s1)[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)CCC2 ZINC000480913943 1034503807 /nfs/dbraw/zinc/50/38/07/1034503807.db2.gz YBVMHRZVWNUFSJ-GJZGRUSLSA-N 1 3 321.534 3.795 20 0 DHADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000556037183 1035023651 /nfs/dbraw/zinc/02/36/51/1035023651.db2.gz FJBNTYCYTJDJAS-UYAOXDASSA-N 1 3 310.441 3.620 20 0 DHADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000556037183 1035023660 /nfs/dbraw/zinc/02/36/60/1035023660.db2.gz FJBNTYCYTJDJAS-UYAOXDASSA-N 1 3 310.441 3.620 20 0 DHADHO Fc1cccc(CCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000162948708 1035119796 /nfs/dbraw/zinc/11/97/96/1035119796.db2.gz JBRFBVZQWQMCLE-UHFFFAOYSA-N 1 3 304.453 3.755 20 0 DHADHO CCOc1ccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC001177290739 1035360424 /nfs/dbraw/zinc/36/04/24/1035360424.db2.gz VQDRIFSANMMVQD-HZPDHXFCSA-N 1 3 308.466 3.526 20 0 DHADHO C[C@H](CCc1ccccc1)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC001177416078 1035369618 /nfs/dbraw/zinc/36/96/18/1035369618.db2.gz HVFHNUILDXTANM-RTBURBONSA-N 1 3 302.506 3.967 20 0 DHADHO CCN1CCC[C@H](C[NH2+]Cc2cccc(OC(C)(C)C)c2)C1 ZINC001177543113 1035379637 /nfs/dbraw/zinc/37/96/37/1035379637.db2.gz ZWPRUDODQPNMAO-QGZVFWFLSA-N 1 3 304.478 3.685 20 0 DHADHO CCO[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC001177581215 1035382216 /nfs/dbraw/zinc/38/22/16/1035382216.db2.gz KLJVLMPCLIAVAV-VQTJNVASSA-N 1 3 322.537 3.968 20 0 DHADHO CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000568814316 1035481852 /nfs/dbraw/zinc/48/18/52/1035481852.db2.gz BYKZCUKLJDMICS-JKSUJKDBSA-N 1 3 306.519 3.659 20 0 DHADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001179830334 1035509769 /nfs/dbraw/zinc/50/97/69/1035509769.db2.gz OWMCWPXKEWUCJU-WMZOPIPTSA-N 1 3 318.505 3.653 20 0 DHADHO C[C@H]1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205617744 1035535738 /nfs/dbraw/zinc/53/57/38/1035535738.db2.gz NBBDUCRTCUYHBH-WCQYABFASA-N 1 3 318.358 3.651 20 0 DHADHO C[NH+](C)Cc1ccc(CNCc2ccc(OCC3CC3)cc2)cc1 ZINC000190698611 1035631603 /nfs/dbraw/zinc/63/16/03/1035631603.db2.gz QRPSRGXSWHORQE-UHFFFAOYSA-N 1 3 324.468 3.827 20 0 DHADHO CC(C)[NH2+]C1CCN([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000191301001 1035677655 /nfs/dbraw/zinc/67/76/55/1035677655.db2.gz CPPFHNZUSKVSCV-VQTJNVASSA-N 1 3 300.490 3.959 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC001204278772 1035740357 /nfs/dbraw/zinc/74/03/57/1035740357.db2.gz HACXJDOJKQXKNR-QUCCMNQESA-N 1 3 314.517 3.943 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC001204278772 1035740379 /nfs/dbraw/zinc/74/03/79/1035740379.db2.gz HACXJDOJKQXKNR-QUCCMNQESA-N 1 3 314.517 3.943 20 0 DHADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C12CCCCC2 ZINC000539497468 1035755603 /nfs/dbraw/zinc/75/56/03/1035755603.db2.gz XLCYPFDXRHFICT-GUDVDZBRSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC000906159542 1035783832 /nfs/dbraw/zinc/78/38/32/1035783832.db2.gz SDAQTCRRYCQAOX-BEFAXECRSA-N 1 3 322.456 3.552 20 0 DHADHO C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC000906159542 1035783840 /nfs/dbraw/zinc/78/38/40/1035783840.db2.gz SDAQTCRRYCQAOX-BEFAXECRSA-N 1 3 322.456 3.552 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCCNc2ccccc21)CN1CCCCC1 ZINC000192704030 1035810467 /nfs/dbraw/zinc/81/04/67/1035810467.db2.gz MZBGYMXFWNUDTQ-VQIMIIECSA-N 1 3 301.478 3.645 20 0 DHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000192795853 1035818800 /nfs/dbraw/zinc/81/88/00/1035818800.db2.gz YDIQQSBQYHRRBN-MOPGFXCFSA-N 1 3 323.569 3.597 20 0 DHADHO COc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1C(C)(C)C ZINC001181534336 1035936281 /nfs/dbraw/zinc/93/62/81/1035936281.db2.gz JTTQJUVDEWREOD-QAPCUYQASA-N 1 3 318.505 3.765 20 0 DHADHO COc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1C(C)(C)C ZINC001181534336 1035936285 /nfs/dbraw/zinc/93/62/85/1035936285.db2.gz JTTQJUVDEWREOD-QAPCUYQASA-N 1 3 318.505 3.765 20 0 DHADHO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000540223119 1036019635 /nfs/dbraw/zinc/01/96/35/1036019635.db2.gz ZYPHJTUQFYFRIC-YZVOILCLSA-N 1 3 316.489 3.792 20 0 DHADHO C[NH+]1CCC(C)(CNCc2ccc(Cl)cc2Cl)CC1 ZINC000227327276 1036070459 /nfs/dbraw/zinc/07/04/59/1036070459.db2.gz HSQILERVCCVHCT-UHFFFAOYSA-N 1 3 301.261 3.815 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774442975 1036333457 /nfs/dbraw/zinc/33/34/57/1036333457.db2.gz YMWOHPLNMIIVTE-NHCYSSNCSA-N 1 3 316.276 3.709 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774442975 1036333468 /nfs/dbraw/zinc/33/34/68/1036333468.db2.gz YMWOHPLNMIIVTE-NHCYSSNCSA-N 1 3 316.276 3.709 20 0 DHADHO C[C@@H](NCCc1cccc(F)c1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599142 1036377238 /nfs/dbraw/zinc/37/72/38/1036377238.db2.gz IELOYBUGIRXFNV-ZBFHGGJFSA-N 1 3 322.443 3.750 20 0 DHADHO C[C@@H](NCCc1cccc(F)c1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599142 1036377250 /nfs/dbraw/zinc/37/72/50/1036377250.db2.gz IELOYBUGIRXFNV-ZBFHGGJFSA-N 1 3 322.443 3.750 20 0 DHADHO Fc1ccc(/C=C\C[NH2+]C2CCN(C3CCC3)CC2)c(F)c1 ZINC000541772867 1036428374 /nfs/dbraw/zinc/42/83/74/1036428374.db2.gz LGUQYTOHAUTINU-IHWYPQMZSA-N 1 3 306.400 3.585 20 0 DHADHO CCCCOc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206542066 1036460151 /nfs/dbraw/zinc/46/01/51/1036460151.db2.gz QNMXOVLZUKAIKN-LJQANCHMSA-N 1 3 304.478 3.816 20 0 DHADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC001182901314 1036479997 /nfs/dbraw/zinc/47/99/97/1036479997.db2.gz AYJNBTVNQLIJCU-IHPCNDPISA-N 1 3 300.490 3.953 20 0 DHADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC001182901316 1036480942 /nfs/dbraw/zinc/48/09/42/1036480942.db2.gz AYJNBTVNQLIJCU-YZGWKJHDSA-N 1 3 300.490 3.953 20 0 DHADHO C(=C\c1ccncc1)\CNCc1ccccc1C[NH+]1CCCCC1 ZINC000486956467 1036487106 /nfs/dbraw/zinc/48/71/06/1036487106.db2.gz OBHYSKIQTUJZBJ-SREVYHEPSA-N 1 3 321.468 3.871 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC/C=C/c1ccncc1 ZINC000487308221 1036649929 /nfs/dbraw/zinc/64/99/29/1036649929.db2.gz LAMBBPARSKLPKS-CZBMUTHLSA-N 1 3 321.468 3.595 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC/C=C/c1ccncc1 ZINC000487308221 1036649939 /nfs/dbraw/zinc/64/99/39/1036649939.db2.gz LAMBBPARSKLPKS-CZBMUTHLSA-N 1 3 321.468 3.595 20 0 DHADHO C[C@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@@H]1CN ZINC001205297023 1036837441 /nfs/dbraw/zinc/83/74/41/1036837441.db2.gz WYWPJKCBPQQZKB-ZFWWWQNUSA-N 1 3 314.395 3.555 20 0 DHADHO C[C@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@@H]1CN ZINC001205297023 1036837465 /nfs/dbraw/zinc/83/74/65/1036837465.db2.gz WYWPJKCBPQQZKB-ZFWWWQNUSA-N 1 3 314.395 3.555 20 0 DHADHO C[C@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC001205297023 1036837483 /nfs/dbraw/zinc/83/74/83/1036837483.db2.gz WYWPJKCBPQQZKB-ZFWWWQNUSA-N 1 3 314.395 3.555 20 0 DHADHO C[C@@H]1C[C@@H]1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000488472655 1037040504 /nfs/dbraw/zinc/04/05/04/1037040504.db2.gz XFCDGUHBKJFEPA-RHSMWYFYSA-N 1 3 306.881 3.798 20 0 DHADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000488566282 1037082551 /nfs/dbraw/zinc/08/25/51/1037082551.db2.gz HNWSIHYQEYALRQ-OAQYLSRUSA-N 1 3 322.496 3.958 20 0 DHADHO C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309685311 1037173649 /nfs/dbraw/zinc/17/36/49/1037173649.db2.gz APAORFZGVGTQOM-QFBILLFUSA-N 1 3 312.432 3.826 20 0 DHADHO COc1ccc(C)cc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310328642 1037224720 /nfs/dbraw/zinc/22/47/20/1037224720.db2.gz ZPJAFUVTZANKST-IBGZPJMESA-N 1 3 324.468 3.615 20 0 DHADHO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000310292522 1037225161 /nfs/dbraw/zinc/22/51/61/1037225161.db2.gz ZOEKFGVOVCHCGD-XLIONFOSSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(F)c1 ZINC000397999091 1037577855 /nfs/dbraw/zinc/57/78/55/1037577855.db2.gz DHMRIXGQCBFADQ-OXJNMPFZSA-N 1 3 312.432 3.826 20 0 DHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(F)c1 ZINC000397999091 1037577869 /nfs/dbraw/zinc/57/78/69/1037577869.db2.gz DHMRIXGQCBFADQ-OXJNMPFZSA-N 1 3 312.432 3.826 20 0 DHADHO CCCc1csc(CNCC2CC[NH+](CCC(C)C)CC2)n1 ZINC000494181769 1037663305 /nfs/dbraw/zinc/66/33/05/1037663305.db2.gz FHIGTQANAPDNNV-UHFFFAOYSA-N 1 3 323.550 3.943 20 0 DHADHO COC1CC[NH+](C2CCN(C[C@@H](C)CCC=C(C)C)CC2)CC1 ZINC001201497122 1037715474 /nfs/dbraw/zinc/71/54/74/1037715474.db2.gz UTCQCJPXYQJHJZ-SFHVURJKSA-N 1 3 322.537 3.944 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000037644175 1037837233 /nfs/dbraw/zinc/83/72/33/1037837233.db2.gz FAQSEVGYPMIXLP-QWHCGFSZSA-N 1 3 300.368 3.698 20 0 DHADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000124389393 1037898733 /nfs/dbraw/zinc/89/87/33/1037898733.db2.gz LEDJNWZSBQKCLU-GXTWGEPZSA-N 1 3 321.534 3.884 20 0 DHADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000186833741 1037934161 /nfs/dbraw/zinc/93/41/61/1037934161.db2.gz DEGYQYOTYUGWBY-PMACEKPBSA-N 1 3 322.537 3.967 20 0 DHADHO CC(C)C[C@@H]1OCCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000186833741 1037934173 /nfs/dbraw/zinc/93/41/73/1037934173.db2.gz DEGYQYOTYUGWBY-PMACEKPBSA-N 1 3 322.537 3.967 20 0 DHADHO COc1ccc(-c2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)s2)cc1 ZINC000571226405 1038114534 /nfs/dbraw/zinc/11/45/34/1038114534.db2.gz OOEVMKHGYYXNIF-HUUCEWRRSA-N 1 3 316.470 3.783 20 0 DHADHO Cc1cscc1CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000494486700 1038119893 /nfs/dbraw/zinc/11/98/93/1038119893.db2.gz PEJVFXIGUWGCRT-HNNXBMFYSA-N 1 3 318.486 3.848 20 0 DHADHO Cc1ccoc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000571339658 1038129020 /nfs/dbraw/zinc/12/90/20/1038129020.db2.gz SOYAAEHULLXEDV-RBUKOAKNSA-N 1 3 310.441 3.542 20 0 DHADHO Cc1ccoc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000571339658 1038129026 /nfs/dbraw/zinc/12/90/26/1038129026.db2.gz SOYAAEHULLXEDV-RBUKOAKNSA-N 1 3 310.441 3.542 20 0 DHADHO C/C(=C\c1ccccc1OC(F)F)CNC[C@H]1CCC[N@@H+](C)C1 ZINC000571813110 1038256284 /nfs/dbraw/zinc/25/62/84/1038256284.db2.gz WFMKCKKRXUOVDB-YVGNARHYSA-N 1 3 324.415 3.623 20 0 DHADHO C/C(=C\c1ccccc1OC(F)F)CNC[C@H]1CCC[N@H+](C)C1 ZINC000571813110 1038256297 /nfs/dbraw/zinc/25/62/97/1038256297.db2.gz WFMKCKKRXUOVDB-YVGNARHYSA-N 1 3 324.415 3.623 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2CC(C)C2)ccc1OC ZINC000775412727 1038383839 /nfs/dbraw/zinc/38/38/39/1038383839.db2.gz ORQZNOBXHUUMSV-SWKXRBFHSA-N 1 3 304.478 3.986 20 0 DHADHO COc1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c2ccccc12 ZINC000573707415 1039060858 /nfs/dbraw/zinc/06/08/58/1039060858.db2.gz CCIZVOUPZQDCIH-OAQYLSRUSA-N 1 3 324.468 3.766 20 0 DHADHO COc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c2ccccc12 ZINC000573707415 1039060872 /nfs/dbraw/zinc/06/08/72/1039060872.db2.gz CCIZVOUPZQDCIH-OAQYLSRUSA-N 1 3 324.468 3.766 20 0 DHADHO CC(C)(C)[C@H](NC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000592495863 1039215696 /nfs/dbraw/zinc/21/56/96/1039215696.db2.gz SYWVERFSXQEZGS-IUODEOHRSA-N 1 3 314.395 3.992 20 0 DHADHO CN(C)CC[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)C(C)(C)C ZINC000606470169 1039901917 /nfs/dbraw/zinc/90/19/17/1039901917.db2.gz JSWSOEBITBBVCO-KRWDZBQOSA-N 1 3 318.505 3.856 20 0 DHADHO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)[C@H]1CCCN(C2CCC2)C1 ZINC000272668935 130051017 /nfs/dbraw/zinc/05/10/17/130051017.db2.gz JXRFNMVVSLWRKV-YJBOKZPZSA-N 1 3 311.473 3.911 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CCOC1(C)C ZINC000340186531 131028281 /nfs/dbraw/zinc/02/82/81/131028281.db2.gz SBRUGFZZQZUROQ-APWZRJJASA-N 1 3 316.489 3.718 20 0 DHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCOC1(C)C ZINC000340186531 131028282 /nfs/dbraw/zinc/02/82/82/131028282.db2.gz SBRUGFZZQZUROQ-APWZRJJASA-N 1 3 316.489 3.718 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000285612644 131185881 /nfs/dbraw/zinc/18/58/81/131185881.db2.gz YXSODVPXTVVSMG-SNAWJCMRSA-N 1 3 308.416 3.831 20 0 DHADHO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285614886 131186340 /nfs/dbraw/zinc/18/63/40/131186340.db2.gz QHLIZXZCHZWVBJ-GHTZIAJQSA-N 1 3 321.468 3.741 20 0 DHADHO C[C@@H](c1ccccn1)[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285614886 131186341 /nfs/dbraw/zinc/18/63/41/131186341.db2.gz QHLIZXZCHZWVBJ-GHTZIAJQSA-N 1 3 321.468 3.741 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000340218224 131213510 /nfs/dbraw/zinc/21/35/10/131213510.db2.gz GKSHAYZCSXEMST-INIZCTEOSA-N 1 3 316.489 3.716 20 0 DHADHO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1cccc(C)c1 ZINC000286041370 131217552 /nfs/dbraw/zinc/21/75/52/131217552.db2.gz KNWLZEZQJYWILX-LJQANCHMSA-N 1 3 304.478 3.537 20 0 DHADHO Cc1ccnc([C@H](C)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000286091772 131219229 /nfs/dbraw/zinc/21/92/29/131219229.db2.gz MUPAOCVYIILDBJ-SFHVURJKSA-N 1 3 323.484 3.953 20 0 DHADHO Cc1cc(CNC2CCC([N@H+](C)Cc3ccccc3)CC2)on1 ZINC000286141305 131222218 /nfs/dbraw/zinc/22/22/18/131222218.db2.gz OZOPLVJABYEFRX-UHFFFAOYSA-N 1 3 313.445 3.516 20 0 DHADHO Cc1cc(CNC2CCC([N@@H+](C)Cc3ccccc3)CC2)on1 ZINC000286141305 131222219 /nfs/dbraw/zinc/22/22/19/131222219.db2.gz OZOPLVJABYEFRX-UHFFFAOYSA-N 1 3 313.445 3.516 20 0 DHADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297592156 132024240 /nfs/dbraw/zinc/02/42/40/132024240.db2.gz JGYZOUUOHSUWGD-IRXDYDNUSA-N 1 3 309.457 3.832 20 0 DHADHO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000556611573 331720286 /nfs/dbraw/zinc/72/02/86/331720286.db2.gz PYDBWXALYOHANR-YLJYHZDGSA-N 1 3 316.489 3.828 20 0 DHADHO Cc1cccnc1[C@H](NCc1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC000580084759 332932552 /nfs/dbraw/zinc/93/25/52/332932552.db2.gz YDGDZSRQTOBNBV-LJQANCHMSA-N 1 3 309.457 3.523 20 0 DHADHO CCCCN1CCC([NH2+]Cc2cccc(OC(C)C)c2)CC1 ZINC000129328160 332018560 /nfs/dbraw/zinc/01/85/60/332018560.db2.gz BFJSUJIOUYGDPX-UHFFFAOYSA-N 1 3 304.478 3.828 20 0 DHADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cccc(Br)c1 ZINC000569605954 332199956 /nfs/dbraw/zinc/19/99/56/332199956.db2.gz YKXCUVDMJQUQCH-LBPRGKRZSA-N 1 3 319.246 3.759 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2cc3ccccc3s2)[C@@H]2CCC[C@H]21 ZINC000559878516 332288828 /nfs/dbraw/zinc/28/88/28/332288828.db2.gz SUODTMPWGWONAK-YESZJQIVSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cc3ccccc3s2)[C@@H]2CCC[C@H]21 ZINC000559878516 332288830 /nfs/dbraw/zinc/28/88/30/332288830.db2.gz SUODTMPWGWONAK-YESZJQIVSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cc3ccccc3s2)[C@@H]2CCC[C@H]21 ZINC000559878516 332288831 /nfs/dbraw/zinc/28/88/31/332288831.db2.gz SUODTMPWGWONAK-YESZJQIVSA-N 1 3 300.471 3.864 20 0 DHADHO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000560343151 332332315 /nfs/dbraw/zinc/33/23/15/332332315.db2.gz NBIFLORCGRUFCA-MRXNPFEDSA-N 1 3 318.505 3.558 20 0 DHADHO COCc1ccccc1/C=C(/C)CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000560524371 332350439 /nfs/dbraw/zinc/35/04/39/332350439.db2.gz WFYRLQJMEBRFJF-UWKDKTGGSA-N 1 3 316.489 3.556 20 0 DHADHO COCc1ccccc1/C=C(/C)CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000560524371 332350440 /nfs/dbraw/zinc/35/04/40/332350440.db2.gz WFYRLQJMEBRFJF-UWKDKTGGSA-N 1 3 316.489 3.556 20 0 DHADHO C[NH+](C)CCCC(C)(C)NCc1coc(-c2ccccc2)n1 ZINC000449528972 332373940 /nfs/dbraw/zinc/37/39/40/332373940.db2.gz UCKQKBBBFWMLSM-UHFFFAOYSA-N 1 3 301.434 3.552 20 0 DHADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2csc3ccccc23)C1 ZINC000580259498 333043325 /nfs/dbraw/zinc/04/33/25/333043325.db2.gz KIWZFPZWDDUDFF-YOEHRIQHSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2csc3ccccc23)C1 ZINC000580259498 333043326 /nfs/dbraw/zinc/04/33/26/333043326.db2.gz KIWZFPZWDDUDFF-YOEHRIQHSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2csc3ccccc23)C1 ZINC000580259498 333043328 /nfs/dbraw/zinc/04/33/28/333043328.db2.gz KIWZFPZWDDUDFF-YOEHRIQHSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2csc3ccccc23)C1 ZINC000580259498 333043329 /nfs/dbraw/zinc/04/33/29/333043329.db2.gz KIWZFPZWDDUDFF-YOEHRIQHSA-N 1 3 300.471 3.817 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000183186745 333183659 /nfs/dbraw/zinc/18/36/59/333183659.db2.gz IFDGSNBLKCYBFO-LZLYRXPVSA-N 1 3 316.489 3.999 20 0 DHADHO CC(C)Oc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000119863706 333261217 /nfs/dbraw/zinc/26/12/17/333261217.db2.gz VHYBMPDQTICBGB-UHFFFAOYSA-N 1 3 304.478 3.826 20 0 DHADHO CC[NH+](CC)CC1CCN(CCc2ccccc2Cl)CC1 ZINC000488436795 333377226 /nfs/dbraw/zinc/37/72/26/333377226.db2.gz UWCDAYFZZFYEKI-UHFFFAOYSA-N 1 3 308.897 3.936 20 0 DHADHO C[C@]1(c2ccccc2)CC[C@H](N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000414649834 334054651 /nfs/dbraw/zinc/05/46/51/334054651.db2.gz ALJMERRYVMRAQC-SFTDATJTSA-N 1 3 312.501 3.961 20 0 DHADHO Cc1ccc(COc2ccc(CN3CC[C@@H]([C@@H](C)[NH3+])C3)cc2)cc1 ZINC000414662809 334061003 /nfs/dbraw/zinc/06/10/03/334061003.db2.gz QNFWGHMAZZVLAG-YLJYHZDGSA-N 1 3 324.468 3.743 20 0 DHADHO COc1ccc(-c2ccccc2)cc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000414669128 334063795 /nfs/dbraw/zinc/06/37/95/334063795.db2.gz KEFBFVNHFGSCTA-SXLOBPIMSA-N 1 3 322.452 3.531 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)N(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414675879 334066950 /nfs/dbraw/zinc/06/69/50/334066950.db2.gz GVRDXKNSCDFHIH-HZSPNIEDSA-N 1 3 303.475 3.677 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414792052 334098223 /nfs/dbraw/zinc/09/82/23/334098223.db2.gz BWFLQIMLAPIFCY-YRGRVCCFSA-N 1 3 300.899 3.830 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2NC[C@H]([NH3+])C(C)C)cc1 ZINC000414804262 334103687 /nfs/dbraw/zinc/10/36/87/334103687.db2.gz XCRILPLAUAZQOP-FHWLQOOXSA-N 1 3 304.478 3.683 20 0 DHADHO Cc1ccc2cc(CNCc3ccc([C@H](C)[NH3+])cc3)ccc2n1 ZINC000414811124 334105814 /nfs/dbraw/zinc/10/58/14/334105814.db2.gz IZGFKJWOFQJEES-HNNXBMFYSA-N 1 3 305.425 3.853 20 0 DHADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000414816292 334106707 /nfs/dbraw/zinc/10/67/07/334106707.db2.gz ZVXYZBCFDCFVEL-LBPRGKRZSA-N 1 3 324.346 3.895 20 0 DHADHO Clc1cccc(Cl)c1CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414841282 334112992 /nfs/dbraw/zinc/11/29/92/334112992.db2.gz ZDWKTPNGYWUXKV-FUNVUKJBSA-N 1 3 313.272 3.799 20 0 DHADHO N[C@@H](C[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000414889358 334157098 /nfs/dbraw/zinc/15/70/98/334157098.db2.gz LMZFTOOPBVHURL-PAKAJVGYSA-N 1 3 322.452 3.606 20 0 DHADHO C[C@@H](NC1CC[NH+](C)CC1)c1ccc(Oc2cccnc2)cc1 ZINC000287322588 334157264 /nfs/dbraw/zinc/15/72/64/334157264.db2.gz LWNSNHRDJRNFEF-OAHLLOKOSA-N 1 3 311.429 3.619 20 0 DHADHO C[C@H]1CNCC[C@@H]1[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414930335 334193950 /nfs/dbraw/zinc/19/39/50/334193950.db2.gz ANBPRYYMAUQEFQ-BBRMVZONSA-N 1 3 314.395 3.616 20 0 DHADHO CC1([NH2+]CCCCc2cccc(C(F)(F)F)c2)CCNCC1 ZINC000414932659 334195589 /nfs/dbraw/zinc/19/55/89/334195589.db2.gz DAMCNNZYBJHRAA-UHFFFAOYSA-N 1 3 314.395 3.760 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCNC[C@H]1C ZINC000414934522 334196838 /nfs/dbraw/zinc/19/68/38/334196838.db2.gz FCURESGZFRVRQP-XFJVYGCCSA-N 1 3 315.288 3.902 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414934522 334196839 /nfs/dbraw/zinc/19/68/39/334196839.db2.gz FCURESGZFRVRQP-XFJVYGCCSA-N 1 3 315.288 3.902 20 0 DHADHO C[C@H]1C[NH2+]CC[C@H]1NCCCc1c(Cl)cccc1Cl ZINC000414946371 334205311 /nfs/dbraw/zinc/20/53/11/334205311.db2.gz TWQSXPMKJLRCMQ-XHDPSFHLSA-N 1 3 301.261 3.514 20 0 DHADHO C[C@H]1CNCC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414946371 334205310 /nfs/dbraw/zinc/20/53/10/334205310.db2.gz TWQSXPMKJLRCMQ-XHDPSFHLSA-N 1 3 301.261 3.514 20 0 DHADHO C[C@@H]1CNCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414956034 334208474 /nfs/dbraw/zinc/20/84/74/334208474.db2.gz MULWXRNCJSDJLB-MLGOLLRUSA-N 1 3 304.434 3.642 20 0 DHADHO COc1cc(Cl)c(CNC[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414996207 334235228 /nfs/dbraw/zinc/23/52/28/334235228.db2.gz GGYDWLXGYOGUSN-CMPLNLGQSA-N 1 3 317.260 3.609 20 0 DHADHO Cc1ccc2cc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)ccc2n1 ZINC000415060525 334261966 /nfs/dbraw/zinc/26/19/66/334261966.db2.gz YNPXCVBWLLYTPG-AZUAARDMSA-N 1 3 309.457 3.507 20 0 DHADHO C[C@@H](CN1C[C@@H](C)[C@](C)(C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415060497 334262022 /nfs/dbraw/zinc/26/20/22/334262022.db2.gz UPGPBOWUZZGVII-WOSRLPQWSA-N 1 3 314.395 3.726 20 0 DHADHO C[C@H](NCC1CC[NH2+]CC1)c1c(Cl)ccc(F)c1Cl ZINC000415110987 334281918 /nfs/dbraw/zinc/28/19/18/334281918.db2.gz QWNPFTZGGSLKKO-VIFPVBQESA-N 1 3 305.224 3.783 20 0 DHADHO Cc1ccc(N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(CN(C)C)c1 ZINC000415112107 334281973 /nfs/dbraw/zinc/28/19/73/334281973.db2.gz CYIGAYHPAJDEOW-CTNGQTDRSA-N 1 3 323.484 3.962 20 0 DHADHO CC(C)c1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415130712 334285571 /nfs/dbraw/zinc/28/55/71/334285571.db2.gz RLIGGYBNTXGWEJ-PMACEKPBSA-N 1 3 316.489 3.528 20 0 DHADHO CN(C)Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000531943625 334299945 /nfs/dbraw/zinc/29/99/45/334299945.db2.gz KYWYOHZRPXJQSZ-NRFANRHFSA-N 1 3 308.469 3.859 20 0 DHADHO CC(C)=CCC[C@@H](C)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000531955197 334306708 /nfs/dbraw/zinc/30/67/08/334306708.db2.gz DYSXNRXDXKMSNS-QGZVFWFLSA-N 1 3 304.478 3.852 20 0 DHADHO Cc1cc(N2CCC([NH+]3CCCCC3)CC2)c2ccccc2n1 ZINC000443444064 338451751 /nfs/dbraw/zinc/45/17/51/338451751.db2.gz ODHAJRJKJFFWNN-UHFFFAOYSA-N 1 3 309.457 3.998 20 0 DHADHO CN(CCC[N@H+](C)Cc1ccco1)c1ccnc2ccccc21 ZINC000343757006 335191042 /nfs/dbraw/zinc/19/10/42/335191042.db2.gz BLJHYEXMXNOHSE-UHFFFAOYSA-N 1 3 309.413 3.786 20 0 DHADHO CN(CCC[N@@H+](C)Cc1ccco1)c1ccnc2ccccc21 ZINC000343757006 335191043 /nfs/dbraw/zinc/19/10/43/335191043.db2.gz BLJHYEXMXNOHSE-UHFFFAOYSA-N 1 3 309.413 3.786 20 0 DHADHO CC(C)c1ccc2c(c1)[C@H](NCC1=CC[N@H+](C)CC1)CCCO2 ZINC000344305530 335239256 /nfs/dbraw/zinc/23/92/56/335239256.db2.gz VDLLWBAGFCAYIC-LJQANCHMSA-N 1 3 314.473 3.875 20 0 DHADHO CC(C)c1ccc2c(c1)[C@H](NCC1=CC[N@@H+](C)CC1)CCCO2 ZINC000344305530 335239257 /nfs/dbraw/zinc/23/92/57/335239257.db2.gz VDLLWBAGFCAYIC-LJQANCHMSA-N 1 3 314.473 3.875 20 0 DHADHO C[C@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H]1CCCO1 ZINC000346571774 335417219 /nfs/dbraw/zinc/41/72/19/335417219.db2.gz WVGQLGUDTSUEGR-FXAWDEMLSA-N 1 3 316.489 3.576 20 0 DHADHO C[C@@H]([NH3+])C1CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000347179192 335476148 /nfs/dbraw/zinc/47/61/48/335476148.db2.gz SYFBJUUYJSYELX-OAHLLOKOSA-N 1 3 302.462 3.567 20 0 DHADHO CCc1nocc1CN1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000351971667 336184228 /nfs/dbraw/zinc/18/42/28/336184228.db2.gz DVRKACPMYGZXQN-UHFFFAOYSA-N 1 3 319.493 3.571 20 0 DHADHO CCc1nocc1CN1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000351971667 336184229 /nfs/dbraw/zinc/18/42/29/336184229.db2.gz DVRKACPMYGZXQN-UHFFFAOYSA-N 1 3 319.493 3.571 20 0 DHADHO Cc1nc(-c2ccc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)cs1 ZINC000532470970 336249640 /nfs/dbraw/zinc/24/96/40/336249640.db2.gz UMKQPYLPSIYSBT-CXAGYDPISA-N 1 3 315.486 3.548 20 0 DHADHO Cc1nc(-c2ccc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)cs1 ZINC000532470970 336249641 /nfs/dbraw/zinc/24/96/41/336249641.db2.gz UMKQPYLPSIYSBT-CXAGYDPISA-N 1 3 315.486 3.548 20 0 DHADHO CCc1c(C)[nH+]c2ccccc2c1N1CC[C@H](N2CC=CC2)C1 ZINC000302042972 336345165 /nfs/dbraw/zinc/34/51/65/336345165.db2.gz OFWBFEPKGXCLIQ-INIZCTEOSA-N 1 3 307.441 3.556 20 0 DHADHO COc1ccc([C@@H](CNc2cc[nH+]c(C)c2)N2CCCC2)cc1 ZINC000302276097 336356623 /nfs/dbraw/zinc/35/66/23/336356623.db2.gz HWHSGBQRUBUPRZ-LJQANCHMSA-N 1 3 311.429 3.648 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000563976849 336389408 /nfs/dbraw/zinc/38/94/08/336389408.db2.gz VVGXATMSFCZBAZ-SQNIBIBYSA-N 1 3 322.880 3.667 20 0 DHADHO CCCC[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000353508343 336421437 /nfs/dbraw/zinc/42/14/37/336421437.db2.gz NLFXDTDEVPADDD-GOSISDBHSA-N 1 3 317.477 3.519 20 0 DHADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2CCCSC2)CC1 ZINC000376821243 337042029 /nfs/dbraw/zinc/04/20/29/337042029.db2.gz XEFUFTJEZZEZKT-NUJGCVRESA-N 1 3 310.551 3.762 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCCSC2)CC1 ZINC000376821243 337042030 /nfs/dbraw/zinc/04/20/30/337042030.db2.gz XEFUFTJEZZEZKT-NUJGCVRESA-N 1 3 310.551 3.762 20 0 DHADHO COc1cc([C@H](C)N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1F ZINC000377893510 337063462 /nfs/dbraw/zinc/06/34/62/337063462.db2.gz JYJMIQWGPYHWGN-WMLDXEAASA-N 1 3 320.452 3.559 20 0 DHADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000378399389 337071720 /nfs/dbraw/zinc/07/17/20/337071720.db2.gz FYFSBAAYIVTVFL-HKUYNNGSSA-N 1 3 322.537 3.967 20 0 DHADHO CSC1(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000193803746 337080271 /nfs/dbraw/zinc/08/02/71/337080271.db2.gz OCGRITVLCONGRH-WBVHZDCISA-N 1 3 310.551 3.905 20 0 DHADHO CSC1(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000193803746 337080272 /nfs/dbraw/zinc/08/02/72/337080272.db2.gz OCGRITVLCONGRH-WBVHZDCISA-N 1 3 310.551 3.905 20 0 DHADHO CSC1(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000193803763 337080281 /nfs/dbraw/zinc/08/02/81/337080281.db2.gz OCGRITVLCONGRH-RDJZCZTQSA-N 1 3 310.551 3.905 20 0 DHADHO CSC1(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000193803763 337080282 /nfs/dbraw/zinc/08/02/82/337080282.db2.gz OCGRITVLCONGRH-RDJZCZTQSA-N 1 3 310.551 3.905 20 0 DHADHO Cc1nc(C)c([C@@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000178098647 337160480 /nfs/dbraw/zinc/16/04/80/337160480.db2.gz LGVVTPJZPQOTLO-UONOGXRCSA-N 1 3 309.523 3.923 20 0 DHADHO Cc1nc(C)c([C@@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000178098647 337160481 /nfs/dbraw/zinc/16/04/81/337160481.db2.gz LGVVTPJZPQOTLO-UONOGXRCSA-N 1 3 309.523 3.923 20 0 DHADHO C[C@@H](NCC1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000178752845 337164851 /nfs/dbraw/zinc/16/48/51/337164851.db2.gz RICXBXHTOXQCPZ-CQSZACIVSA-N 1 3 315.486 3.803 20 0 DHADHO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000469807423 337191968 /nfs/dbraw/zinc/19/19/68/337191968.db2.gz HWTPTDJLMHBUOW-CVEARBPZSA-N 1 3 304.478 3.856 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2[C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000582932603 337215824 /nfs/dbraw/zinc/21/58/24/337215824.db2.gz KODCJMLLUGYMEY-GFOJFJKKSA-N 1 3 312.501 3.913 20 0 DHADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2[C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000582932603 337215825 /nfs/dbraw/zinc/21/58/25/337215825.db2.gz KODCJMLLUGYMEY-GFOJFJKKSA-N 1 3 312.501 3.913 20 0 DHADHO Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398144234 337307152 /nfs/dbraw/zinc/30/71/52/337307152.db2.gz NIWLZNYMUCHYSW-WIYYLYMNSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398144234 337307153 /nfs/dbraw/zinc/30/71/53/337307153.db2.gz NIWLZNYMUCHYSW-WIYYLYMNSA-N 1 3 308.469 3.995 20 0 DHADHO CCCCOc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000583899642 337384645 /nfs/dbraw/zinc/38/46/45/337384645.db2.gz ZFDHLNBHTGCUHJ-QUCCMNQESA-N 1 3 316.489 3.782 20 0 DHADHO CCCCOc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000583899642 337384646 /nfs/dbraw/zinc/38/46/46/337384646.db2.gz ZFDHLNBHTGCUHJ-QUCCMNQESA-N 1 3 316.489 3.782 20 0 DHADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000119266969 337394489 /nfs/dbraw/zinc/39/44/89/337394489.db2.gz CIKSBWQDXBXNEX-NXHRZFHOSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@H](c1ccc(Cl)cc1)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420393414 337500561 /nfs/dbraw/zinc/50/05/61/337500561.db2.gz QKQYXIVWGYGPPW-FSPWUOQZSA-N 1 3 322.880 3.619 20 0 DHADHO Cc1ccsc1[C@@H](Cc1ccccc1)NC[C@H]1CC[NH2+]C1 ZINC000420406335 337500744 /nfs/dbraw/zinc/50/07/44/337500744.db2.gz NRIWYCKGEUKTGN-DLBZAZTESA-N 1 3 300.471 3.539 20 0 DHADHO C[NH+](C)C1CCC(NCc2cc(C(F)(F)F)ccc2F)CC1 ZINC000421367209 337532626 /nfs/dbraw/zinc/53/26/26/337532626.db2.gz DFQMCEPMHWGLIQ-UHFFFAOYSA-N 1 3 318.358 3.807 20 0 DHADHO CC(C)[NH2+]CCCN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000571789550 337577033 /nfs/dbraw/zinc/57/70/33/337577033.db2.gz PSXWNKCDDRAHAP-ZDUSSCGKSA-N 1 3 302.384 3.614 20 0 DHADHO COC[C@H](CCC[NH3+])N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000422734164 337684487 /nfs/dbraw/zinc/68/44/87/337684487.db2.gz SCUNBVMFGKEJPE-ZJUUUORDSA-N 1 3 323.239 3.537 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc2ccccc2n1 ZINC000422780074 337686129 /nfs/dbraw/zinc/68/61/29/337686129.db2.gz JSZFEYPSNMKKLU-VQIMIIECSA-N 1 3 311.473 3.678 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000422786315 337686645 /nfs/dbraw/zinc/68/66/45/337686645.db2.gz KTYQWVADXXCTHL-NRSFXHEJSA-N 1 3 304.503 3.678 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000422794425 337687039 /nfs/dbraw/zinc/68/70/39/337687039.db2.gz GMWYADCRONJPMP-NSHDSACASA-N 1 3 323.362 3.718 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccccc1COCc1ccccc1 ZINC000422852429 337688974 /nfs/dbraw/zinc/68/89/74/337688974.db2.gz ANOXBOSDGQLFRA-SJORKVTESA-N 1 3 312.457 3.619 20 0 DHADHO COc1cc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])ccc1OC1CCCC1 ZINC000422884865 337689998 /nfs/dbraw/zinc/68/99/98/337689998.db2.gz XUABQKCFOMSAFF-KFWWJZLASA-N 1 3 320.477 3.793 20 0 DHADHO c1ccc(-c2cccc(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)cc1 ZINC000422889448 337690314 /nfs/dbraw/zinc/69/03/14/337690314.db2.gz PPTWFUYEVWPOFK-WCRBZPEASA-N 1 3 306.453 3.769 20 0 DHADHO C[C@@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422984426 337693678 /nfs/dbraw/zinc/69/36/78/337693678.db2.gz AWEZKFFLFTYVMU-MOXGXCLJSA-N 1 3 308.425 3.593 20 0 DHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1csc(C(C)(C)C)n1 ZINC000423016041 337695694 /nfs/dbraw/zinc/69/56/94/337695694.db2.gz ATOHQVKTYMGOSS-LSDHHAIUSA-N 1 3 323.550 3.884 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000423023305 337696121 /nfs/dbraw/zinc/69/61/21/337696121.db2.gz JLKSPOXGDSGGLJ-KPHUOKFYSA-N 1 3 309.457 3.823 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(C(F)F)cc1 ZINC000423045168 337696951 /nfs/dbraw/zinc/69/69/51/337696951.db2.gz CKTKPTHGFQYXLO-NSHDSACASA-N 1 3 305.372 3.637 20 0 DHADHO CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])c1cc(F)cc(Br)c1 ZINC000423062830 337697864 /nfs/dbraw/zinc/69/78/64/337697864.db2.gz NVOMBZDWYFWJEE-RULNRJAQSA-N 1 3 317.246 3.755 20 0 DHADHO CCCNc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423069348 337698189 /nfs/dbraw/zinc/69/81/89/337698189.db2.gz AUQZDYLODLUTRB-CEXWTWQISA-N 1 3 301.478 3.519 20 0 DHADHO Fc1cccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)c1F ZINC000423081513 337698586 /nfs/dbraw/zinc/69/85/86/337698586.db2.gz VBKPFUKPQILOQU-YIONKMFJSA-N 1 3 320.427 3.649 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092321 337698931 /nfs/dbraw/zinc/69/89/31/337698931.db2.gz BIZTVNPVRQTBHF-DDUZABMNSA-N 1 3 313.420 3.585 20 0 DHADHO COCC[C@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423107935 337699716 /nfs/dbraw/zinc/69/97/16/337699716.db2.gz QIROKCIKLLHBRV-PGUXBMHVSA-N 1 3 319.276 3.786 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423125383 337700665 /nfs/dbraw/zinc/70/06/65/337700665.db2.gz HYSXSHHISSLDTR-GXTWGEPZSA-N 1 3 311.420 3.715 20 0 DHADHO FC(F)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000423173138 337702336 /nfs/dbraw/zinc/70/23/36/337702336.db2.gz XCGLFSQCBKYREH-SVXVCFNTSA-N 1 3 300.437 3.711 20 0 DHADHO COc1cccc2cc([C@H](C)N[C@H]3CCCC[C@@H]3C[NH3+])oc21 ZINC000423269328 337708315 /nfs/dbraw/zinc/70/83/15/337708315.db2.gz FKXXYXWDSNTJAE-CFVMTHIKSA-N 1 3 302.418 3.610 20 0 DHADHO COc1ccc([C@H](Cc2ccccc2)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423377000 337717324 /nfs/dbraw/zinc/71/73/24/337717324.db2.gz VLBQGPMTXLSFLM-ZVDOUQERSA-N 1 3 324.468 3.839 20 0 DHADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423377799 337717576 /nfs/dbraw/zinc/71/75/76/337717576.db2.gz KJSFJLKKTDVVLF-BZUAXINKSA-N 1 3 313.489 3.954 20 0 DHADHO COc1cccc(C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2)c1 ZINC000423389670 337718179 /nfs/dbraw/zinc/71/81/79/337718179.db2.gz ODOIRLIMCYVKBI-ZVDOUQERSA-N 1 3 324.468 3.839 20 0 DHADHO C[C@@H](CCC[NH3+])N[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423446343 337719592 /nfs/dbraw/zinc/71/95/92/337719592.db2.gz CNCLDSSGWPLOCS-IFXJQAMLSA-N 1 3 309.413 3.634 20 0 DHADHO FC(F)(F)c1ccc([C@H]2CCCC[C@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423459509 337720511 /nfs/dbraw/zinc/72/05/11/337720511.db2.gz RSRWJWGNGXUIIZ-UUAJXVIYSA-N 1 3 324.390 3.539 20 0 DHADHO CCCC1(C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000536844261 337743061 /nfs/dbraw/zinc/74/30/61/337743061.db2.gz GKVZEEQCRSEHKS-MRXNPFEDSA-N 1 3 304.478 3.858 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+]C(C2CCC2)C2CCC2)cc1 ZINC000516494821 338013842 /nfs/dbraw/zinc/01/38/42/338013842.db2.gz WIDNDHNMNAJSTJ-UHFFFAOYSA-N 1 3 316.489 3.685 20 0 DHADHO CC[C@@H]1CCCN1Cc1cncc(C[N@@H+]2CCC[C@H]2CC)c1 ZINC000516538839 338014817 /nfs/dbraw/zinc/01/48/17/338014817.db2.gz UGSXTYXSCIKHFN-RTBURBONSA-N 1 3 301.478 3.830 20 0 DHADHO CC[C@@H]1CCCN1Cc1cncc(C[N@H+]2CCC[C@H]2CC)c1 ZINC000516538839 338014818 /nfs/dbraw/zinc/01/48/18/338014818.db2.gz UGSXTYXSCIKHFN-RTBURBONSA-N 1 3 301.478 3.830 20 0 DHADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000425939180 338019152 /nfs/dbraw/zinc/01/91/52/338019152.db2.gz SEOCWIYMNZXRHH-QNWHQSFQSA-N 1 3 300.899 3.681 20 0 DHADHO Cc1nc(C(C)C)oc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000428302706 338046342 /nfs/dbraw/zinc/04/63/42/338046342.db2.gz RHGAQOKCXOFXEX-UHFFFAOYSA-N 1 3 307.482 3.660 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2oc(CCC)nc2C)CC1 ZINC000428472250 338054132 /nfs/dbraw/zinc/05/41/32/338054132.db2.gz GSNFBKBGUDXPRQ-UHFFFAOYSA-N 1 3 321.509 3.879 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2oc(CCC)nc2C)CC1 ZINC000428472250 338054133 /nfs/dbraw/zinc/05/41/33/338054133.db2.gz GSNFBKBGUDXPRQ-UHFFFAOYSA-N 1 3 321.509 3.879 20 0 DHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@H]4CC45CCCC5)[C@H]3C2)cc1 ZINC000429401695 338079679 /nfs/dbraw/zinc/07/96/79/338079679.db2.gz AZYDYBRSMGUIOA-MUGJNUQGSA-N 1 3 310.485 3.819 20 0 DHADHO CN1CC=C(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000429423736 338080555 /nfs/dbraw/zinc/08/05/55/338080555.db2.gz YZGVRVKRQGWUEW-OAQYLSRUSA-N 1 3 324.443 3.961 20 0 DHADHO CC[NH2+]CC1CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000430599404 338109538 /nfs/dbraw/zinc/10/95/38/338109538.db2.gz QCIZDMJDMWDPOW-UHFFFAOYSA-N 1 3 312.910 3.754 20 0 DHADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCOc2ccc3ccccc3c2)C1 ZINC000430586169 338109253 /nfs/dbraw/zinc/10/92/53/338109253.db2.gz VKMNKFPNJDLXSG-APWZRJJASA-N 1 3 312.457 3.668 20 0 DHADHO CN(C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000432793619 338168047 /nfs/dbraw/zinc/16/80/47/338168047.db2.gz PPKUUHBYFQVMDR-AQNXPRMDSA-N 1 3 300.490 3.913 20 0 DHADHO CN(C)[C@@H]1CCC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000432793619 338168048 /nfs/dbraw/zinc/16/80/48/338168048.db2.gz PPKUUHBYFQVMDR-AQNXPRMDSA-N 1 3 300.490 3.913 20 0 DHADHO CC(C)OCCCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435691841 338245501 /nfs/dbraw/zinc/24/55/01/338245501.db2.gz FHVNFVLLUWEJIN-KRWDZBQOSA-N 1 3 322.518 3.507 20 0 DHADHO CCCCOCCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693307 338245513 /nfs/dbraw/zinc/24/55/13/338245513.db2.gz IRVRUPRYWAOYOK-QGZVFWFLSA-N 1 3 322.518 3.509 20 0 DHADHO COCCC1(C[NH2+]CCCN2CCCC[C@H]2C)CCCCC1 ZINC000436270009 338264615 /nfs/dbraw/zinc/26/46/15/338264615.db2.gz MXOGRBZORRQGNG-GOSISDBHSA-N 1 3 310.526 3.828 20 0 DHADHO CC(C)CCO[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000436293824 338266848 /nfs/dbraw/zinc/26/68/48/338266848.db2.gz DUQLZMQZRWOWBB-NCXUSEDFSA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)CCO[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000436293824 338266849 /nfs/dbraw/zinc/26/68/49/338266849.db2.gz DUQLZMQZRWOWBB-NCXUSEDFSA-N 1 3 308.510 3.577 20 0 DHADHO CCC[C@@](C)(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449145170 338596774 /nfs/dbraw/zinc/59/67/74/338596774.db2.gz KRTOZODMQUROCY-LJQANCHMSA-N 1 3 312.542 3.806 20 0 DHADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449170978 338598973 /nfs/dbraw/zinc/59/89/73/338598973.db2.gz JVTVRFCXOOEVNQ-ISXWCOSWSA-N 1 3 308.510 3.719 20 0 DHADHO C[C@H](CCCCO)[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449434827 338623835 /nfs/dbraw/zinc/62/38/35/338623835.db2.gz SVDNAOGMGLMRNR-MRXNPFEDSA-N 1 3 312.542 3.806 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2cc(C(F)(F)F)ccc2F)C1 ZINC000459740457 339045516 /nfs/dbraw/zinc/04/55/16/339045516.db2.gz UIRBBXDANTVHIK-LBPRGKRZSA-N 1 3 318.358 3.666 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2cc(C(F)(F)F)ccc2F)C1 ZINC000459740457 339045517 /nfs/dbraw/zinc/04/55/17/339045517.db2.gz UIRBBXDANTVHIK-LBPRGKRZSA-N 1 3 318.358 3.666 20 0 DHADHO FCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000462816454 339091504 /nfs/dbraw/zinc/09/15/04/339091504.db2.gz LOPUJZKXNDGICN-GUDVDZBRSA-N 1 3 304.453 3.626 20 0 DHADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H](C)CN1CCCCC1 ZINC000467389587 339236253 /nfs/dbraw/zinc/23/62/53/339236253.db2.gz LDISHDHCCXRHSN-KSSFIOAISA-N 1 3 320.452 3.533 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000468355561 339260511 /nfs/dbraw/zinc/26/05/11/339260511.db2.gz HLZVCDZRSPGTNW-MGPQQGTHSA-N 1 3 312.910 3.939 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000468355561 339260512 /nfs/dbraw/zinc/26/05/12/339260512.db2.gz HLZVCDZRSPGTNW-MGPQQGTHSA-N 1 3 312.910 3.939 20 0 DHADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469468123 339290620 /nfs/dbraw/zinc/29/06/20/339290620.db2.gz GCMRJRSUKVALDP-QGZVFWFLSA-N 1 3 322.443 3.704 20 0 DHADHO C[N@H+]1CCC[C@@H]1CCN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469468123 339290621 /nfs/dbraw/zinc/29/06/21/339290621.db2.gz GCMRJRSUKVALDP-QGZVFWFLSA-N 1 3 322.443 3.704 20 0 DHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4ccccc4F)s3)C[C@H]12 ZINC000469885029 339303802 /nfs/dbraw/zinc/30/38/02/339303802.db2.gz RPCXKFVZFKTFQF-YLQAJVPDSA-N 1 3 316.445 3.723 20 0 DHADHO CC(C)c1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000469982147 339306736 /nfs/dbraw/zinc/30/67/36/339306736.db2.gz MUGYVWPJJVQQHC-WOJBJXKFSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CC[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000469982147 339306737 /nfs/dbraw/zinc/30/67/37/339306737.db2.gz MUGYVWPJJVQQHC-WOJBJXKFSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000469982147 339306738 /nfs/dbraw/zinc/30/67/38/339306738.db2.gz MUGYVWPJJVQQHC-WOJBJXKFSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CCN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000469982147 339306739 /nfs/dbraw/zinc/30/67/39/339306739.db2.gz MUGYVWPJJVQQHC-WOJBJXKFSA-N 1 3 300.490 3.769 20 0 DHADHO CN(C)c1cccc([C@@H]2CCCN2CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000472584797 339374381 /nfs/dbraw/zinc/37/43/81/339374381.db2.gz IVTRJHJBMXKGGZ-QUCCMNQESA-N 1 3 315.505 3.764 20 0 DHADHO CN(C)c1cccc([C@@H]2CCCN2CC[C@H]2CCCC[N@H+]2C)c1 ZINC000472584797 339374382 /nfs/dbraw/zinc/37/43/82/339374382.db2.gz IVTRJHJBMXKGGZ-QUCCMNQESA-N 1 3 315.505 3.764 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)[C@H](C)C1 ZINC000473142404 339382614 /nfs/dbraw/zinc/38/26/14/339382614.db2.gz IUFKVJYELAOCKA-QRWLVFNGSA-N 1 3 313.489 3.947 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)[C@H](C)C1 ZINC000473142404 339382615 /nfs/dbraw/zinc/38/26/15/339382615.db2.gz IUFKVJYELAOCKA-QRWLVFNGSA-N 1 3 313.489 3.947 20 0 DHADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)CN1CCCC1 ZINC000477927524 339504912 /nfs/dbraw/zinc/50/49/12/339504912.db2.gz OIXSIUDQGCLHCJ-ZIAGYGMSSA-N 1 3 306.416 3.819 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(OCCN(C)C)cc1 ZINC000481245734 339599061 /nfs/dbraw/zinc/59/90/61/339599061.db2.gz KFYHBPXEUCELSN-IRXDYDNUSA-N 1 3 302.462 3.634 20 0 DHADHO CCC[C@H](C)[C@@H](CC)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000483520168 339667970 /nfs/dbraw/zinc/66/79/70/339667970.db2.gz SSZVNOICIMSYQO-RBUKOAKNSA-N 1 3 323.569 3.741 20 0 DHADHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000484500634 339688303 /nfs/dbraw/zinc/68/83/03/339688303.db2.gz NZKJLTUWSFVRNP-FRQCXROJSA-N 1 3 304.478 3.856 20 0 DHADHO CC[NH+](CC)CC1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000488405407 339779923 /nfs/dbraw/zinc/77/99/23/339779923.db2.gz APGUFUCVSGCWGW-INIZCTEOSA-N 1 3 304.478 3.810 20 0 DHADHO CCc1cc(OC)ccc1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000501389078 340079338 /nfs/dbraw/zinc/07/93/38/340079338.db2.gz QERUEGWRBHHOKC-UHFFFAOYSA-N 1 3 304.478 3.610 20 0 DHADHO C[NH+](C)CCCC1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000501784857 340088627 /nfs/dbraw/zinc/08/86/27/340088627.db2.gz JLSIFXMKVWHRND-UHFFFAOYSA-N 1 3 324.896 3.773 20 0 DHADHO CC(C)C1CCC([N@H+](C)CCCN2CCN(C(C)C)CC2)CC1 ZINC000501878177 340090248 /nfs/dbraw/zinc/09/02/48/340090248.db2.gz YMNRSENTCZLPJK-UHFFFAOYSA-N 1 3 323.569 3.549 20 0 DHADHO CC(C)C1CCC([N@@H+](C)CCCN2CCN(C(C)C)CC2)CC1 ZINC000501878177 340090249 /nfs/dbraw/zinc/09/02/49/340090249.db2.gz YMNRSENTCZLPJK-UHFFFAOYSA-N 1 3 323.569 3.549 20 0 DHADHO CCC[NH+]1CCC(CN[C@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000502712010 340111988 /nfs/dbraw/zinc/11/19/88/340111988.db2.gz LVKIPHFXEDGHDA-MRXNPFEDSA-N 1 3 318.509 3.771 20 0 DHADHO COc1cc([C@@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)ccc1F ZINC000504900024 340155289 /nfs/dbraw/zinc/15/52/89/340155289.db2.gz PZLOFGJNGBDITA-HZPDHXFCSA-N 1 3 322.468 3.997 20 0 DHADHO COc1cc([C@@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)ccc1F ZINC000504900024 340155290 /nfs/dbraw/zinc/15/52/90/340155290.db2.gz PZLOFGJNGBDITA-HZPDHXFCSA-N 1 3 322.468 3.997 20 0 DHADHO CCc1cccnc1[C@H](C)NCCCCC[NH+]1CCCCC1 ZINC000507514498 340223704 /nfs/dbraw/zinc/22/37/04/340223704.db2.gz SQZVHMLKOFHPFD-KRWDZBQOSA-N 1 3 303.494 3.951 20 0 DHADHO CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](CN3CCC(C)CC3)C2)CCO1 ZINC000507803655 340232117 /nfs/dbraw/zinc/23/21/17/340232117.db2.gz LASZGYARDSEHOL-SLFFLAALSA-N 1 3 322.537 3.636 20 0 DHADHO CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](CN3CCC(C)CC3)C2)CCO1 ZINC000507803655 340232118 /nfs/dbraw/zinc/23/21/18/340232118.db2.gz LASZGYARDSEHOL-SLFFLAALSA-N 1 3 322.537 3.636 20 0 DHADHO CC[C@@H]1C[C@@H](CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCO1 ZINC000507803655 340232119 /nfs/dbraw/zinc/23/21/19/340232119.db2.gz LASZGYARDSEHOL-SLFFLAALSA-N 1 3 322.537 3.636 20 0 DHADHO CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)CC(F)(F)F ZINC000402549437 340242211 /nfs/dbraw/zinc/24/22/11/340242211.db2.gz DNHBCPBIXRXGEN-ZQDZILKHSA-N 1 3 306.416 3.865 20 0 DHADHO CC[N@@H+]1CCC[C@@H](CNC/C(C)=C\c2ccccc2COC)C1 ZINC000510345771 340296461 /nfs/dbraw/zinc/29/64/61/340296461.db2.gz HWYZTRJJYZMVLS-FSEPTYSPSA-N 1 3 316.489 3.558 20 0 DHADHO CC[N@H+]1CCC[C@@H](CNC/C(C)=C\c2ccccc2COC)C1 ZINC000510345771 340296462 /nfs/dbraw/zinc/29/64/62/340296462.db2.gz HWYZTRJJYZMVLS-FSEPTYSPSA-N 1 3 316.489 3.558 20 0 DHADHO CCN1CCC[C@@H](C[NH2+]C/C(C)=C\c2ccccc2COC)C1 ZINC000510345771 340296463 /nfs/dbraw/zinc/29/64/63/340296463.db2.gz HWYZTRJJYZMVLS-FSEPTYSPSA-N 1 3 316.489 3.558 20 0 DHADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000303218504 340313397 /nfs/dbraw/zinc/31/33/97/340313397.db2.gz UPXCFZNISKXOBZ-NRFANRHFSA-N 1 3 322.496 3.958 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2ccccc2SC)CC1 ZINC000511152281 340322642 /nfs/dbraw/zinc/32/26/42/340322642.db2.gz YLDZJKDITKYVGZ-UHFFFAOYSA-N 1 3 306.519 3.962 20 0 DHADHO CSc1ccccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000511172321 340323246 /nfs/dbraw/zinc/32/32/46/340323246.db2.gz NGMVMERJAWRIAT-UHFFFAOYSA-N 1 3 306.519 3.962 20 0 DHADHO COc1ccc([C@@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000173422570 340364630 /nfs/dbraw/zinc/36/46/30/340364630.db2.gz WKOXRCFXRHYSTR-KDOFPFPSSA-N 1 3 322.493 3.721 20 0 DHADHO CCC[NH+]1CCC(CNCc2cccc3c2OC(C)(C)C3)CC1 ZINC000236790575 340665039 /nfs/dbraw/zinc/66/50/39/340665039.db2.gz MSVMRKBILIBLIF-UHFFFAOYSA-N 1 3 316.489 3.612 20 0 DHADHO C[C@H](C[NH2+]C1CCC(C(F)(F)F)CC1)CN1CCCCC1 ZINC000068635330 340919951 /nfs/dbraw/zinc/91/99/51/340919951.db2.gz VNCYHOLCUKCTAT-WLYUNCDWSA-N 1 3 306.416 3.819 20 0 DHADHO CC(C)[C@H](C)C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540491573 340933400 /nfs/dbraw/zinc/93/34/00/340933400.db2.gz DVLKUTFIPHYWAE-SJLPKXTDSA-N 1 3 316.489 3.856 20 0 DHADHO C[C@@H](c1cccc(Br)c1)N1CCC(CC[NH3+])CC1 ZINC000070183603 340989598 /nfs/dbraw/zinc/98/95/98/340989598.db2.gz SBSXAZVODRCABZ-LBPRGKRZSA-N 1 3 311.267 3.571 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)C1 ZINC000542847618 341023284 /nfs/dbraw/zinc/02/32/84/341023284.db2.gz UJMURFUYJLZDJG-KDOFPFPSSA-N 1 3 310.432 3.983 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NCC(C)(C)C[NH+](C)C ZINC000132139776 341117157 /nfs/dbraw/zinc/11/71/57/341117157.db2.gz IUEXZBXCNCRDHJ-KGLIPLIRSA-N 1 3 319.518 3.966 20 0 DHADHO Cc1ccc2[nH+]ccc(N[C@@H]3CN(C)Cc4ccccc43)c2c1 ZINC000546173605 341155994 /nfs/dbraw/zinc/15/59/94/341155994.db2.gz XXTXBOHXGJBNQV-HXUWFJFHSA-N 1 3 303.409 3.564 20 0 DHADHO COc1ccccc1-c1ccc(C[N@H+](C)CCCN(C)C)cc1 ZINC000564315693 341203879 /nfs/dbraw/zinc/20/38/79/341203879.db2.gz WZKLMMGEODBYHN-UHFFFAOYSA-N 1 3 312.457 3.746 20 0 DHADHO COc1ccccc1-c1ccc(C[N@@H+](C)CCCN(C)C)cc1 ZINC000564315693 341203880 /nfs/dbraw/zinc/20/38/80/341203880.db2.gz WZKLMMGEODBYHN-UHFFFAOYSA-N 1 3 312.457 3.746 20 0 DHADHO C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000564317714 341207215 /nfs/dbraw/zinc/20/72/15/341207215.db2.gz OBJGOONCUXLAET-HFTRVMKXSA-N 1 3 302.462 3.567 20 0 DHADHO Cc1cc(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000237503595 341214959 /nfs/dbraw/zinc/21/49/59/341214959.db2.gz SINXHPNHWAQJLZ-RTBURBONSA-N 1 3 318.505 3.591 20 0 DHADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000550260682 341313708 /nfs/dbraw/zinc/31/37/08/341313708.db2.gz JWMLXQSTNRWJLR-AWEZNQCLSA-N 1 3 310.844 3.643 20 0 DHADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2COc3ccccc3C2)c1 ZINC000550621097 341319559 /nfs/dbraw/zinc/31/95/59/341319559.db2.gz BUZRMTHRLHOFDY-FQEVSTJZSA-N 1 3 324.468 3.622 20 0 DHADHO C[N@@H+]1CC[C@@H](NCCOC2CCCCC2)C[C@H]1c1ccccc1 ZINC000550627463 341319940 /nfs/dbraw/zinc/31/99/40/341319940.db2.gz LSVUPVFNXIQDSV-QUCCMNQESA-N 1 3 316.489 3.761 20 0 DHADHO C[N@H+]1CC[C@@H](NCCOC2CCCCC2)C[C@H]1c1ccccc1 ZINC000550627463 341319941 /nfs/dbraw/zinc/31/99/41/341319941.db2.gz LSVUPVFNXIQDSV-QUCCMNQESA-N 1 3 316.489 3.761 20 0 DHADHO CCCN(CC)C[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000550818342 341323553 /nfs/dbraw/zinc/32/35/53/341323553.db2.gz LEMVHNMMLVXZAC-YSIASYRMSA-N 1 3 317.521 3.532 20 0 DHADHO C[C@H]([NH2+]C1(CN[C@H]2CCOC2(C)C)CCCC1)c1ccccc1 ZINC000551051438 341330170 /nfs/dbraw/zinc/33/01/70/341330170.db2.gz OLPLLOSYPBLUGR-WMZOPIPTSA-N 1 3 316.489 3.807 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000246871400 341358064 /nfs/dbraw/zinc/35/80/64/341358064.db2.gz DLIKDMXUKJKEJP-IAGOWNOFSA-N 1 3 304.478 3.856 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000246902739 341358403 /nfs/dbraw/zinc/35/84/03/341358403.db2.gz FHHIFRFWSMETFC-CYGHRXIMSA-N 1 3 304.478 3.650 20 0 DHADHO Cc1ccccc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247015419 341359897 /nfs/dbraw/zinc/35/98/97/341359897.db2.gz MNJCYKSHZZIBOH-BZSNNMDCSA-N 1 3 304.478 3.535 20 0 DHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000247162669 341361795 /nfs/dbraw/zinc/36/17/95/341361795.db2.gz XYUJTMLIMOCCFX-FCGDIQPGSA-N 1 3 318.505 3.658 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccccc2OCC(C)C)[C@@H](C)C1 ZINC000247195923 341362062 /nfs/dbraw/zinc/36/20/62/341362062.db2.gz VZYQRJYXYBCVIG-WMZOPIPTSA-N 1 3 304.478 3.541 20 0 DHADHO COc1ccc2cc(CN3CC[C@@]4(C3)CCC[N@H+](C)C4)ccc2c1 ZINC000552111036 341370426 /nfs/dbraw/zinc/37/04/26/341370426.db2.gz MZLARJXPXUQYSB-NRFANRHFSA-N 1 3 324.468 3.766 20 0 DHADHO COc1ccc2cc(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)ccc2c1 ZINC000552111036 341370427 /nfs/dbraw/zinc/37/04/27/341370427.db2.gz MZLARJXPXUQYSB-NRFANRHFSA-N 1 3 324.468 3.766 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@]2(O)CCCC2(C)C)CC1 ZINC000552111309 341370451 /nfs/dbraw/zinc/37/04/51/341370451.db2.gz WLWDYUWRKVNBQX-POAQFYNOSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@@]2(O)CCCC2(C)C)CC1 ZINC000552111309 341370452 /nfs/dbraw/zinc/37/04/52/341370452.db2.gz WLWDYUWRKVNBQX-POAQFYNOSA-N 1 3 322.537 3.560 20 0 DHADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C(C4CC4)C4CC4)[C@@H]3C2)cc1 ZINC000248417124 341377231 /nfs/dbraw/zinc/37/72/31/341377231.db2.gz QUKNDIITXQNBDG-XUVXKRRUSA-N 1 3 310.485 3.675 20 0 DHADHO COc1ccsc1[C@@H](C)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000248648280 341382745 /nfs/dbraw/zinc/38/27/45/341382745.db2.gz ULDCZQNGQLSUIC-LSDHHAIUSA-N 1 3 310.507 3.919 20 0 DHADHO COc1ccsc1[C@@H](C)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000248648280 341382746 /nfs/dbraw/zinc/38/27/46/341382746.db2.gz ULDCZQNGQLSUIC-LSDHHAIUSA-N 1 3 310.507 3.919 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000249381143 341396882 /nfs/dbraw/zinc/39/68/82/341396882.db2.gz RHHLMWHVYRADMP-HZPDHXFCSA-N 1 3 312.457 3.841 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000249381143 341396883 /nfs/dbraw/zinc/39/68/83/341396883.db2.gz RHHLMWHVYRADMP-HZPDHXFCSA-N 1 3 312.457 3.841 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000249381143 341396884 /nfs/dbraw/zinc/39/68/84/341396884.db2.gz RHHLMWHVYRADMP-HZPDHXFCSA-N 1 3 312.457 3.841 20 0 DHADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCCC1 ZINC000249407375 341397178 /nfs/dbraw/zinc/39/71/78/341397178.db2.gz XBWWKOIVYQKLJZ-RBSFLKMASA-N 1 3 306.416 3.962 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3nc(C)ccc3c2)[C@@H](C)C1 ZINC000249498902 341398385 /nfs/dbraw/zinc/39/83/85/341398385.db2.gz HBNOOQILGBGXDQ-YWZLYKJASA-N 1 3 311.473 3.705 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3nc(C)ccc3c2)[C@@H](C)C1 ZINC000249498902 341398386 /nfs/dbraw/zinc/39/83/86/341398386.db2.gz HBNOOQILGBGXDQ-YWZLYKJASA-N 1 3 311.473 3.705 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCc2cccc(COc3ccccc3)c2)C1 ZINC000565610311 341532729 /nfs/dbraw/zinc/53/27/29/341532729.db2.gz XZIFACNDGLOSJG-OALUTQOASA-N 1 3 310.441 3.625 20 0 DHADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1sccc1Br ZINC000567655270 341624773 /nfs/dbraw/zinc/62/47/73/341624773.db2.gz VGSZPTOCDMMDOI-WDEREUQCSA-N 1 3 317.296 3.693 20 0 DHADHO C[C@H](NCC1CC[NH2+]CC1)c1ccc(Oc2ccccc2)cn1 ZINC000575242547 341789721 /nfs/dbraw/zinc/78/97/21/341789721.db2.gz OPYWASMHGHPZQX-HNNXBMFYSA-N 1 3 311.429 3.524 20 0 DHADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1cn2ccccc2n1 ZINC000576887053 341868337 /nfs/dbraw/zinc/86/83/37/341868337.db2.gz QNLYQXAYTIUKEF-KRWDZBQOSA-N 1 3 314.477 3.641 20 0 DHADHO C[C@H](C[C@H](C)N)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000577395519 341907967 /nfs/dbraw/zinc/90/79/67/341907967.db2.gz MLUIEVWALKSHBF-QWHCGFSZSA-N 1 3 302.384 3.744 20 0 DHADHO COc1ccc2cc([C@H](C)N[C@H](C)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000423212375 518163626 /nfs/dbraw/zinc/16/36/26/518163626.db2.gz IJAMLWVLNBUNRT-KHYOSLBOSA-N 1 3 312.457 3.887 20 0 DHADHO C[C@@H]1C[C@H](CC[NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CCO1 ZINC000363853363 518180788 /nfs/dbraw/zinc/18/07/88/518180788.db2.gz DEJAXPFQGWJQGG-MLYOOKFZSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H]1C[C@H](CCNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCO1 ZINC000363853363 518180789 /nfs/dbraw/zinc/18/07/89/518180789.db2.gz DEJAXPFQGWJQGG-MLYOOKFZSA-N 1 3 322.537 3.824 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000191639069 518707782 /nfs/dbraw/zinc/70/77/82/518707782.db2.gz FWPYDJLEZLBXQN-KRWDZBQOSA-N 1 3 302.462 3.622 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337336592 519678025 /nfs/dbraw/zinc/67/80/25/519678025.db2.gz MGANYWAZRPXZBN-QWFCFKBJSA-N 1 3 315.505 3.818 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000163317090 521710788 /nfs/dbraw/zinc/71/07/88/521710788.db2.gz FVJOXIRTJLPQGG-IRXDYDNUSA-N 1 3 309.457 3.741 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000163317090 521710789 /nfs/dbraw/zinc/71/07/89/521710789.db2.gz FVJOXIRTJLPQGG-IRXDYDNUSA-N 1 3 309.457 3.741 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000163317090 521710791 /nfs/dbraw/zinc/71/07/91/521710791.db2.gz FVJOXIRTJLPQGG-IRXDYDNUSA-N 1 3 309.457 3.741 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337343678 522050884 /nfs/dbraw/zinc/05/08/84/522050884.db2.gz SKSVVZVEQXXIFI-XGXHKWSGSA-N 1 3 301.478 3.570 20 0 DHADHO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccc(C)cc1 ZINC000159064484 522562176 /nfs/dbraw/zinc/56/21/76/522562176.db2.gz ZWSWFFXJQLFHOR-IBGZPJMESA-N 1 3 304.478 3.537 20 0 DHADHO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccc(Cl)cc1 ZINC000159221505 522562295 /nfs/dbraw/zinc/56/22/95/522562295.db2.gz JYWSWAQRRSJELI-SFHVURJKSA-N 1 3 324.896 3.882 20 0 DHADHO C[C@@H]1CCc2nc(CNCCCCC[NH+]3CCCC3)sc2C1 ZINC000339500147 524733725 /nfs/dbraw/zinc/73/37/25/524733725.db2.gz XQAUPSDXZDXPQJ-OAHLLOKOSA-N 1 3 321.534 3.624 20 0 DHADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(-c2cccnc2)cc1 ZINC000181325479 525455472 /nfs/dbraw/zinc/45/54/72/525455472.db2.gz FQFFFYSRQZWHCW-UZLBHIALSA-N 1 3 309.457 3.884 20 0 DHADHO C[C@@H](NCc1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000124287754 525532640 /nfs/dbraw/zinc/53/26/40/525532640.db2.gz DUDWMWBJTSRZFH-OAHLLOKOSA-N 1 3 316.420 3.617 20 0 DHADHO C[C@@H](NCc1cccc2[nH]ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101923 525534874 /nfs/dbraw/zinc/53/48/74/525534874.db2.gz OVQZWVFQBYZINQ-WBVHZDCISA-N 1 3 311.473 3.911 20 0 DHADHO C[C@@H](NCc1cccc2[nH]ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101923 525534881 /nfs/dbraw/zinc/53/48/81/525534881.db2.gz OVQZWVFQBYZINQ-WBVHZDCISA-N 1 3 311.473 3.911 20 0 DHADHO C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)[C@H]1CCCN(C2CCC2)C1 ZINC000183101923 525534894 /nfs/dbraw/zinc/53/48/94/525534894.db2.gz OVQZWVFQBYZINQ-WBVHZDCISA-N 1 3 311.473 3.911 20 0 DHADHO C[C@@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000188775356 525681682 /nfs/dbraw/zinc/68/16/82/525681682.db2.gz OQTDNWOAXFMVIV-ZOWXZIJZSA-N 1 3 300.368 3.839 20 0 DHADHO C[C@@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000188775356 525681687 /nfs/dbraw/zinc/68/16/87/525681687.db2.gz OQTDNWOAXFMVIV-ZOWXZIJZSA-N 1 3 300.368 3.839 20 0 DHADHO CSc1ccccc1C[C@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000366283602 526163738 /nfs/dbraw/zinc/16/37/38/526163738.db2.gz NJDHYDXMTONTGH-ZLPCBKJTSA-N 1 3 318.530 3.946 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCc2ccncc2)CC1 ZINC000159068765 526246875 /nfs/dbraw/zinc/24/68/75/526246875.db2.gz BTZNWAGCDORAKR-SFHVURJKSA-N 1 3 315.505 3.601 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCc2ccncc2)CC1 ZINC000159068765 526246877 /nfs/dbraw/zinc/24/68/77/526246877.db2.gz BTZNWAGCDORAKR-SFHVURJKSA-N 1 3 315.505 3.601 20 0 DHADHO CCN(CC)CCC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000340205159 535507547 /nfs/dbraw/zinc/50/75/47/535507547.db2.gz PQYUGXLNOBXDJZ-UHFFFAOYSA-N 1 3 322.468 3.539 20 0 DHADHO CCN(CC)CCC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000340205159 535507551 /nfs/dbraw/zinc/50/75/51/535507551.db2.gz PQYUGXLNOBXDJZ-UHFFFAOYSA-N 1 3 322.468 3.539 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000894454938 1013372292 /nfs/dbraw/zinc/37/22/92/1013372292.db2.gz CPCFZQUBOFPPCR-VQCLRJIVSA-N 1 3 308.416 3.531 20 0 DHADHO CC1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCC(F)(F)CC1 ZINC001167977856 1013456620 /nfs/dbraw/zinc/45/66/20/1013456620.db2.gz GRUSLJBACMKZLT-MQVJKMGUSA-N 1 3 312.448 3.949 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cc2ccnc(Cl)c2s1 ZINC000894782597 1013488854 /nfs/dbraw/zinc/48/88/54/1013488854.db2.gz MGIHXSHMNQKTPF-RISCZKNCSA-N 1 3 323.893 3.722 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc2ccnc(Cl)c2s1 ZINC000894782597 1013488856 /nfs/dbraw/zinc/48/88/56/1013488856.db2.gz MGIHXSHMNQKTPF-RISCZKNCSA-N 1 3 323.893 3.722 20 0 DHADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCSCC1 ZINC000187274575 1013507706 /nfs/dbraw/zinc/50/77/06/1013507706.db2.gz SUJWMIWFNKCYNV-HNNXBMFYSA-N 1 3 310.551 3.905 20 0 DHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000340369287 1013522276 /nfs/dbraw/zinc/52/22/76/1013522276.db2.gz GRULIZJTFOSFLP-IAGOWNOFSA-N 1 3 316.489 3.716 20 0 DHADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000340369287 1013522283 /nfs/dbraw/zinc/52/22/83/1013522283.db2.gz GRULIZJTFOSFLP-IAGOWNOFSA-N 1 3 316.489 3.716 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCCOc2ccc(Cl)cc2)C[C@@H]1C ZINC000530662790 1013534421 /nfs/dbraw/zinc/53/44/21/1013534421.db2.gz BVHUZHCXJYXQIM-RDJZCZTQSA-N 1 3 324.896 3.914 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCCOc2ccc(Cl)cc2)C[C@@H]1C ZINC000530662790 1013534426 /nfs/dbraw/zinc/53/44/26/1013534426.db2.gz BVHUZHCXJYXQIM-RDJZCZTQSA-N 1 3 324.896 3.914 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281226 1013695865 /nfs/dbraw/zinc/69/58/65/1013695865.db2.gz PLEICSJVMVTXDF-KXBFYZLASA-N 1 3 311.473 3.785 20 0 DHADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281226 1013695867 /nfs/dbraw/zinc/69/58/67/1013695867.db2.gz PLEICSJVMVTXDF-KXBFYZLASA-N 1 3 311.473 3.785 20 0 DHADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281226 1013695870 /nfs/dbraw/zinc/69/58/70/1013695870.db2.gz PLEICSJVMVTXDF-KXBFYZLASA-N 1 3 311.473 3.785 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000280798664 1013721221 /nfs/dbraw/zinc/72/12/21/1013721221.db2.gz IGLVXHLRDLDEEK-LPHOPBHVSA-N 1 3 301.478 3.633 20 0 DHADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1nc2c(s1)CCCC2 ZINC000340474095 1013851045 /nfs/dbraw/zinc/85/10/45/1013851045.db2.gz PDIOSMBZJSCDIP-OAHLLOKOSA-N 1 3 321.534 3.939 20 0 DHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ccc(F)nc1 ZINC000931271018 1032086947 /nfs/dbraw/zinc/08/69/47/1032086947.db2.gz BBRPWZLXRFWJME-OAHLLOKOSA-N 1 3 315.436 3.865 20 0 DHADHO C[C@H](CCC(F)(F)F)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253903 1014567623 /nfs/dbraw/zinc/56/76/23/1014567623.db2.gz CGYNEILMQCYGFQ-KCPJHIHWSA-N 1 3 318.358 3.592 20 0 DHADHO FC(F)(F)c1ccc([C@H]2CC[C@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000665279322 1014662351 /nfs/dbraw/zinc/66/23/51/1014662351.db2.gz AEOKQMMINCXRDA-QBHHXUBYSA-N 1 3 324.390 3.683 20 0 DHADHO C[NH+]1CCC([C@@H]2CCN(Cc3cc(F)cc(Cl)c3)C2)CC1 ZINC000521317694 1014685592 /nfs/dbraw/zinc/68/55/92/1014685592.db2.gz SZMGUVOVWFEDPF-OAHLLOKOSA-N 1 3 310.844 3.643 20 0 DHADHO CO[C@H]1CCCC[C@@H]1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000442800196 1014736898 /nfs/dbraw/zinc/73/68/98/1014736898.db2.gz ZAFQZUZFOUXDIV-WNHJNPCNSA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@H]1CCCC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000442800196 1014736902 /nfs/dbraw/zinc/73/69/02/1014736902.db2.gz ZAFQZUZFOUXDIV-WNHJNPCNSA-N 1 3 308.510 3.577 20 0 DHADHO c1ccc(OCCCCN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000656789449 1015164100 /nfs/dbraw/zinc/16/41/00/1015164100.db2.gz ZSSPNNRBBVOOPF-NHCUHLMSSA-N 1 3 324.468 3.581 20 0 DHADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N(C)CC(C)(C)C[NH3+] ZINC000093861151 1015411398 /nfs/dbraw/zinc/41/13/98/1015411398.db2.gz OGHHWYPIQNXXDW-NSHDSACASA-N 1 3 304.356 3.563 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000891611297 1015445690 /nfs/dbraw/zinc/44/56/90/1015445690.db2.gz ITDJIGAEFBGWDY-UHFFFAOYSA-N 1 3 320.525 3.635 20 0 DHADHO CC(C)CCC[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279522241 1015468434 /nfs/dbraw/zinc/46/84/34/1015468434.db2.gz VPRGBLIHTVDNKK-HDICACEKSA-N 1 3 303.494 3.595 20 0 DHADHO CC(C)CCC[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279522241 1015468441 /nfs/dbraw/zinc/46/84/41/1015468441.db2.gz VPRGBLIHTVDNKK-HDICACEKSA-N 1 3 303.494 3.595 20 0 DHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000474604597 1015486070 /nfs/dbraw/zinc/48/60/70/1015486070.db2.gz RBTBCFYQEJANIH-RCCFBDPRSA-N 1 3 318.505 3.899 20 0 DHADHO CC[NH+](CC)CCCN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000276834565 1015695813 /nfs/dbraw/zinc/69/58/13/1015695813.db2.gz BNXIOYOLCAXXND-OALUTQOASA-N 1 3 322.468 3.710 20 0 DHADHO CCN(CC)CCC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000276834565 1015695817 /nfs/dbraw/zinc/69/58/17/1015695817.db2.gz BNXIOYOLCAXXND-OALUTQOASA-N 1 3 322.468 3.710 20 0 DHADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000276834565 1015695822 /nfs/dbraw/zinc/69/58/22/1015695822.db2.gz BNXIOYOLCAXXND-OALUTQOASA-N 1 3 322.468 3.710 20 0 DHADHO COCCSc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000341752221 1015717382 /nfs/dbraw/zinc/71/73/82/1015717382.db2.gz UVAXPYFVERZPOH-NVXWUHKLSA-N 1 3 322.518 3.560 20 0 DHADHO CCc1oc2ccccc2c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000535806189 1015834769 /nfs/dbraw/zinc/83/47/69/1015834769.db2.gz KARCCYWQJOKWRL-CRAIPNDOSA-N 1 3 312.457 3.911 20 0 DHADHO CCc1oc2ccccc2c1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000535806189 1015834782 /nfs/dbraw/zinc/83/47/82/1015834782.db2.gz KARCCYWQJOKWRL-CRAIPNDOSA-N 1 3 312.457 3.911 20 0 DHADHO CCc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000535806189 1015834790 /nfs/dbraw/zinc/83/47/90/1015834790.db2.gz KARCCYWQJOKWRL-CRAIPNDOSA-N 1 3 312.457 3.911 20 0 DHADHO CCc1oc2ccccc2c1C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000535806189 1015834800 /nfs/dbraw/zinc/83/48/00/1015834800.db2.gz KARCCYWQJOKWRL-CRAIPNDOSA-N 1 3 312.457 3.911 20 0 DHADHO Cc1cnccc1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000582162204 1016457949 /nfs/dbraw/zinc/45/79/49/1016457949.db2.gz VONZVEUJMLUESB-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1cnccc1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000582162204 1016457954 /nfs/dbraw/zinc/45/79/54/1016457954.db2.gz VONZVEUJMLUESB-GOSISDBHSA-N 1 3 315.505 3.867 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000281349107 1016469314 /nfs/dbraw/zinc/46/93/14/1016469314.db2.gz VEJVWRGGOMMLOV-UKRRQHHQSA-N 1 3 314.395 3.568 20 0 DHADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346676833 1016506405 /nfs/dbraw/zinc/50/64/05/1016506405.db2.gz KSTJGBZZCOODKF-JSGCOSHPSA-N 1 3 304.434 3.723 20 0 DHADHO COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000281456197 1016519255 /nfs/dbraw/zinc/51/92/55/1016519255.db2.gz DPOYIGNVAJTXOA-QGZVFWFLSA-N 1 3 320.452 3.674 20 0 DHADHO CCc1ccc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647248950 1016612000 /nfs/dbraw/zinc/61/20/00/1016612000.db2.gz SLMIUVZRVBHYBK-APWZRJJASA-N 1 3 314.498 3.746 20 0 DHADHO CCc1ccc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647248950 1016612011 /nfs/dbraw/zinc/61/20/11/1016612011.db2.gz SLMIUVZRVBHYBK-APWZRJJASA-N 1 3 314.498 3.746 20 0 DHADHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccc(OC)cc1 ZINC000336851238 1016721026 /nfs/dbraw/zinc/72/10/26/1016721026.db2.gz LPDLEYFFDXQKSS-APWZRJJASA-N 1 3 304.478 3.858 20 0 DHADHO Fc1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000380075408 1017016844 /nfs/dbraw/zinc/01/68/44/1017016844.db2.gz CWEXMVOZTWICJE-PMACEKPBSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1cccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000380075408 1017016856 /nfs/dbraw/zinc/01/68/56/1017016856.db2.gz CWEXMVOZTWICJE-PMACEKPBSA-N 1 3 324.443 3.780 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2c(C)cccc2C)C[C@@H]1C ZINC001167589890 1017041403 /nfs/dbraw/zinc/04/14/03/1017041403.db2.gz JPOZMWFXNWHTRT-RBUKOAKNSA-N 1 3 318.505 3.877 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCCOc2c(C)cccc2C)C[C@@H]1C ZINC001167589890 1017041413 /nfs/dbraw/zinc/04/14/13/1017041413.db2.gz JPOZMWFXNWHTRT-RBUKOAKNSA-N 1 3 318.505 3.877 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(N2CCCC2)c1 ZINC000623444555 1017050252 /nfs/dbraw/zinc/05/02/52/1017050252.db2.gz KOCYSOSTJHQNSF-WMZOPIPTSA-N 1 3 315.505 3.810 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(N2CCCC2)c1 ZINC000623444555 1017050257 /nfs/dbraw/zinc/05/02/57/1017050257.db2.gz KOCYSOSTJHQNSF-WMZOPIPTSA-N 1 3 315.505 3.810 20 0 DHADHO CC[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(C)c1 ZINC000623440720 1017051440 /nfs/dbraw/zinc/05/14/40/1017051440.db2.gz HRMJJCKPXKVKBU-IRXDYDNUSA-N 1 3 304.478 3.615 20 0 DHADHO CC[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Oc1cccc(C)c1 ZINC000623440720 1017051451 /nfs/dbraw/zinc/05/14/51/1017051451.db2.gz HRMJJCKPXKVKBU-IRXDYDNUSA-N 1 3 304.478 3.615 20 0 DHADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1cccc(OC(F)F)c1 ZINC000539219472 1033302636 /nfs/dbraw/zinc/30/26/36/1033302636.db2.gz NJLZSHMJSXDVDS-HIFRSBDPSA-N 1 3 312.404 3.813 20 0 DHADHO CSCc1cc(F)ccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000362012906 1032195296 /nfs/dbraw/zinc/19/52/96/1032195296.db2.gz IDKQXFMOOKCLLP-GDZNZVCISA-N 1 3 310.482 3.507 20 0 DHADHO Clc1ccccc1[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000294999552 1032240448 /nfs/dbraw/zinc/24/04/48/1032240448.db2.gz LXQBBCMQFDVRLK-KLHDSHLOSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccccc1[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000294999552 1032240457 /nfs/dbraw/zinc/24/04/57/1032240457.db2.gz LXQBBCMQFDVRLK-KLHDSHLOSA-N 1 3 304.865 3.802 20 0 DHADHO C[NH+](C)C1CCC(N2CCC[C@@H]2c2c(F)cccc2F)CC1 ZINC001168328523 1032299186 /nfs/dbraw/zinc/29/91/86/1032299186.db2.gz JAIJGHZIWJRVIQ-MQBCKMQZSA-N 1 3 308.416 3.975 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cccn2CCC(C)C)[C@H](C)C1 ZINC000537635197 1032424747 /nfs/dbraw/zinc/42/47/47/1032424747.db2.gz VZEFPESKIBOPLY-IEBWSBKVSA-N 1 3 305.510 3.696 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cccn2CCC(C)C)[C@H](C)C1 ZINC000537635197 1032424755 /nfs/dbraw/zinc/42/47/55/1032424755.db2.gz VZEFPESKIBOPLY-IEBWSBKVSA-N 1 3 305.510 3.696 20 0 DHADHO COc1ccc2cc([C@H](C)NC[C@@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000121216298 1032430222 /nfs/dbraw/zinc/43/02/22/1032430222.db2.gz KKZFOSXLKDZUCE-HOTGVXAUSA-N 1 3 312.457 3.841 20 0 DHADHO COc1ccc2cc([C@H](C)NC[C@@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000121216298 1032430228 /nfs/dbraw/zinc/43/02/28/1032430228.db2.gz KKZFOSXLKDZUCE-HOTGVXAUSA-N 1 3 312.457 3.841 20 0 DHADHO COc1cc([C@@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)c(F)cn1 ZINC000348098256 1032461610 /nfs/dbraw/zinc/46/16/10/1032461610.db2.gz AEJLMHZSGOXFOC-HUUCEWRRSA-N 1 3 323.456 3.535 20 0 DHADHO COc1cc([C@@H](C)NCCCC[N@H+]2CCCC[C@H]2C)c(F)cn1 ZINC000348098256 1032461616 /nfs/dbraw/zinc/46/16/16/1032461616.db2.gz AEJLMHZSGOXFOC-HUUCEWRRSA-N 1 3 323.456 3.535 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cnc(C(C)(C)C)nc1 ZINC000342726923 1017100015 /nfs/dbraw/zinc/10/00/15/1017100015.db2.gz JROIAPHDSQXJEX-INIZCTEOSA-N 1 3 318.509 3.518 20 0 DHADHO COCCC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCC1 ZINC000122317982 1032533670 /nfs/dbraw/zinc/53/36/70/1032533670.db2.gz OQUITCWDFMGFOQ-UHFFFAOYSA-N 1 3 322.537 3.970 20 0 DHADHO COc1cccc(-c2ccc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)c1 ZINC000122549201 1032556296 /nfs/dbraw/zinc/55/62/96/1032556296.db2.gz YWHMAWYHHNFNHH-KKSFZXQISA-N 1 3 324.468 3.792 20 0 DHADHO COc1cccc(-c2ccc(CN[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)c1 ZINC000122549201 1032556299 /nfs/dbraw/zinc/55/62/99/1032556299.db2.gz YWHMAWYHHNFNHH-KKSFZXQISA-N 1 3 324.468 3.792 20 0 DHADHO NCCC[N@H+](C1CCCCC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171395776 1032578394 /nfs/dbraw/zinc/57/83/94/1032578394.db2.gz IFLRBVWBZSUGBL-KRWDZBQOSA-N 1 3 304.453 3.667 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171395776 1032578402 /nfs/dbraw/zinc/57/84/02/1032578402.db2.gz IFLRBVWBZSUGBL-KRWDZBQOSA-N 1 3 304.453 3.667 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(F)c(Br)c1 ZINC000424377828 1012011595 /nfs/dbraw/zinc/01/15/95/1012011595.db2.gz RXUQBJYJQUIJEB-CUOATXAZSA-N 1 3 315.230 3.509 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(OC(F)(F)F)c1 ZINC000424376429 1012012622 /nfs/dbraw/zinc/01/26/22/1012012622.db2.gz PBUZHQXMNVMASZ-ZLKJLUDKSA-N 1 3 302.340 3.506 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(F)cc2CSC)[C@@H](C)C1 ZINC000347200573 1017105443 /nfs/dbraw/zinc/10/54/43/1017105443.db2.gz YGDCTWNWNVRMHE-SUMWQHHRSA-N 1 3 310.482 3.509 20 0 DHADHO C[C@H]1CC2(CN1Cc1ccc(C(F)(F)F)s1)CC[NH2+]CC2 ZINC000424373050 1012014628 /nfs/dbraw/zinc/01/46/28/1012014628.db2.gz GKXZZZULNKPRJL-NSHDSACASA-N 1 3 318.408 3.731 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cnc(C(C)(C)C)nc1 ZINC000342726923 1017100025 /nfs/dbraw/zinc/10/00/25/1017100025.db2.gz JROIAPHDSQXJEX-INIZCTEOSA-N 1 3 318.509 3.518 20 0 DHADHO C[C@@H]1CC[C@@H](C[NH3+])CN1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761338 1012074634 /nfs/dbraw/zinc/07/46/34/1012074634.db2.gz WYWZTEURHZGIJN-OCCSQVGLSA-N 1 3 315.288 3.985 20 0 DHADHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761338 1012074649 /nfs/dbraw/zinc/07/46/49/1012074649.db2.gz WYWZTEURHZGIJN-OCCSQVGLSA-N 1 3 315.288 3.985 20 0 DHADHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761338 1012074670 /nfs/dbraw/zinc/07/46/70/1012074670.db2.gz WYWZTEURHZGIJN-OCCSQVGLSA-N 1 3 315.288 3.985 20 0 DHADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CC=CCC3)CC2)C[C@H](C)O1 ZINC000537658120 1032609262 /nfs/dbraw/zinc/60/92/62/1032609262.db2.gz ARBMLBUCSKKTIY-NSHGMRRFSA-N 1 3 320.521 3.554 20 0 DHADHO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000425376719 1012511183 /nfs/dbraw/zinc/51/11/83/1012511183.db2.gz FQBPDMWOGJARNA-CEXWTWQISA-N 1 3 318.530 3.772 20 0 DHADHO C[C@H](N)c1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961899 1012812710 /nfs/dbraw/zinc/81/27/10/1012812710.db2.gz QAVLNPJNIQUPOE-JTUUTPGSSA-N 1 3 324.472 3.634 20 0 DHADHO C[C@H](N)c1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961899 1012812727 /nfs/dbraw/zinc/81/27/27/1012812727.db2.gz QAVLNPJNIQUPOE-JTUUTPGSSA-N 1 3 324.472 3.634 20 0 DHADHO C[C@@H]1C[C@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000366678734 1012919807 /nfs/dbraw/zinc/91/98/07/1012919807.db2.gz MVDWLTWLKBRJBS-IAGOWNOFSA-N 1 3 308.510 3.578 20 0 DHADHO CN1CCC[C@@H]1CC[N@H+](C)CCCOc1cccc(Cl)c1 ZINC001167094614 1012926584 /nfs/dbraw/zinc/92/65/84/1012926584.db2.gz WIFZZPMUDLZFBN-MRXNPFEDSA-N 1 3 310.869 3.525 20 0 DHADHO CN1CCC[C@@H]1CC[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC001167094614 1012926600 /nfs/dbraw/zinc/92/66/00/1012926600.db2.gz WIFZZPMUDLZFBN-MRXNPFEDSA-N 1 3 310.869 3.525 20 0 DHADHO COc1ccccc1[C@H]([NH2+]C[C@@H](C)CN(C)C)C1CCCC1 ZINC000425921459 1012953552 /nfs/dbraw/zinc/95/35/52/1012953552.db2.gz LPXWCAUYYLOQTE-DNVCBOLYSA-N 1 3 304.478 3.714 20 0 DHADHO CCOC(C)(C)C[NH+]1CCC(N(CC)Cc2ccccc2)CC1 ZINC001209073419 1012964323 /nfs/dbraw/zinc/96/43/23/1012964323.db2.gz UWULERNDPDBIGG-UHFFFAOYSA-N 1 3 318.505 3.788 20 0 DHADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1Cl ZINC000425945896 1012991009 /nfs/dbraw/zinc/99/10/09/1012991009.db2.gz MNYKEHPCMDEADM-UONOGXRCSA-N 1 3 312.885 3.976 20 0 DHADHO CC[C@H](NCc1ccccc1C[N@H+](C)C(C)C)c1cnn(C)c1 ZINC000154843998 1013031036 /nfs/dbraw/zinc/03/10/36/1013031036.db2.gz XKTAQLNXSZYWIR-IBGZPJMESA-N 1 3 314.477 3.501 20 0 DHADHO CC[C@H](NCc1ccccc1C[N@@H+](C)C(C)C)c1cnn(C)c1 ZINC000154843998 1013031052 /nfs/dbraw/zinc/03/10/52/1013031052.db2.gz XKTAQLNXSZYWIR-IBGZPJMESA-N 1 3 314.477 3.501 20 0 DHADHO COc1cc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc2ccccc21 ZINC000623657292 1017155636 /nfs/dbraw/zinc/15/56/36/1017155636.db2.gz MVFJPRRXAAJUES-INIZCTEOSA-N 1 3 312.457 3.670 20 0 DHADHO C[C@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CC1(F)F ZINC000840878301 1017278588 /nfs/dbraw/zinc/27/85/88/1017278588.db2.gz CRRNXHLCDPVWHX-XJKSGUPXSA-N 1 3 300.437 3.664 20 0 DHADHO C[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@H]1CC1(F)F ZINC000840878301 1017278596 /nfs/dbraw/zinc/27/85/96/1017278596.db2.gz CRRNXHLCDPVWHX-XJKSGUPXSA-N 1 3 300.437 3.664 20 0 DHADHO Cc1ccc2[nH]c(C[NH2+]C3CC(N4CCCCC4)C3)cc2c1C ZINC000475560753 1017427869 /nfs/dbraw/zinc/42/78/69/1017427869.db2.gz VNYVQMIOVOKNNP-UHFFFAOYSA-N 1 3 311.473 3.891 20 0 DHADHO FC1(F)CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716619398 1032699856 /nfs/dbraw/zinc/69/98/56/1032699856.db2.gz CVLPWZCHOXSVIQ-MLHJIOFPSA-N 1 3 320.427 3.817 20 0 DHADHO C[C@@H](Cc1ccco1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716649013 1032700477 /nfs/dbraw/zinc/70/04/77/1032700477.db2.gz HMOMHMDBSITWOK-FFGOWVMKSA-N 1 3 324.468 3.853 20 0 DHADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@H]1C ZINC000657612603 1017570801 /nfs/dbraw/zinc/57/08/01/1017570801.db2.gz AVZLFBGIGGUGRG-MBOZVWFJSA-N 1 3 315.505 3.708 20 0 DHADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613562 1017582664 /nfs/dbraw/zinc/58/26/64/1017582664.db2.gz NNAMVXHQEAVGQF-QFBILLFUSA-N 1 3 315.505 3.708 20 0 DHADHO CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1F ZINC000624120566 1017692983 /nfs/dbraw/zinc/69/29/83/1017692983.db2.gz BRWCCZRTOPAQDW-KBPBESRZSA-N 1 3 310.482 3.930 20 0 DHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624121102 1017694828 /nfs/dbraw/zinc/69/48/28/1017694828.db2.gz OAHNKYOEVQAIDN-BRWVUGGUSA-N 1 3 304.478 3.509 20 0 DHADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624123711 1017696446 /nfs/dbraw/zinc/69/64/46/1017696446.db2.gz RIQNIYODWGXEAX-WOUAJJJCSA-N 1 3 316.489 3.509 20 0 DHADHO C[C@@H]1C[C@@H](NCCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358795054 1017888337 /nfs/dbraw/zinc/88/83/37/1017888337.db2.gz ZSSLHPYNXCSYQF-HIFRSBDPSA-N 1 3 300.368 3.582 20 0 DHADHO C[C@@H]1C[C@@H](NCCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000358795054 1017888354 /nfs/dbraw/zinc/88/83/54/1017888354.db2.gz ZSSLHPYNXCSYQF-HIFRSBDPSA-N 1 3 300.368 3.582 20 0 DHADHO CN(c1ccccc1CNCc1ccccc1)C1CC[NH+](C)CC1 ZINC000123023908 1018038281 /nfs/dbraw/zinc/03/82/81/1018038281.db2.gz VYMZSCLGLJFTQE-UHFFFAOYSA-N 1 3 323.484 3.507 20 0 DHADHO Clc1ccc(CCCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000524893168 1018119596 /nfs/dbraw/zinc/11/95/96/1018119596.db2.gz DQNBTEGSCKIMBB-KRWDZBQOSA-N 1 3 306.881 3.690 20 0 DHADHO Cc1cccc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000380945277 1018215785 /nfs/dbraw/zinc/21/57/85/1018215785.db2.gz OKWNLNAPMAWFFC-HXUWFJFHSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1cccc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000380945277 1018215795 /nfs/dbraw/zinc/21/57/95/1018215795.db2.gz OKWNLNAPMAWFFC-HXUWFJFHSA-N 1 3 308.469 3.915 20 0 DHADHO CC[C@H](CN[C@H](CC)c1ccc2c(c1)CCO2)[NH+]1CCCC1 ZINC000764871810 1018411685 /nfs/dbraw/zinc/41/16/85/1018411685.db2.gz ZBYMVQBDSUNLQI-QZTJIDSGSA-N 1 3 302.462 3.537 20 0 DHADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1nc2c(s1)CCCC2 ZINC000447566562 1018426487 /nfs/dbraw/zinc/42/64/87/1018426487.db2.gz UQGNUYGHIUQOSA-CYBMUJFWSA-N 1 3 319.518 3.547 20 0 DHADHO COc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080339068 1018451666 /nfs/dbraw/zinc/45/16/66/1018451666.db2.gz WJUGKZITVVJDRZ-YLJYHZDGSA-N 1 3 324.468 3.838 20 0 DHADHO COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080339068 1018451669 /nfs/dbraw/zinc/45/16/69/1018451669.db2.gz WJUGKZITVVJDRZ-YLJYHZDGSA-N 1 3 324.468 3.838 20 0 DHADHO CCN1CCC[C@@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000447822606 1018479804 /nfs/dbraw/zinc/47/98/04/1018479804.db2.gz QQRAONBZPLQQLG-AWEZNQCLSA-N 1 3 312.860 3.733 20 0 DHADHO OCCC[C@H]1CCCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925204787 1018521693 /nfs/dbraw/zinc/52/16/93/1018521693.db2.gz GQSCXYGXMUKDTN-YLJYHZDGSA-N 1 3 322.537 3.704 20 0 DHADHO CCC[C@@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833744 1018605622 /nfs/dbraw/zinc/60/56/22/1018605622.db2.gz OKVWKMJEZQUWII-PKOBYXMFSA-N 1 3 302.462 3.610 20 0 DHADHO CCC[C@@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833744 1018605632 /nfs/dbraw/zinc/60/56/32/1018605632.db2.gz OKVWKMJEZQUWII-PKOBYXMFSA-N 1 3 302.462 3.610 20 0 DHADHO C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000675880229 1018621579 /nfs/dbraw/zinc/62/15/79/1018621579.db2.gz CIVWQUJNPZFRCD-KSSFIOAISA-N 1 3 322.880 3.634 20 0 DHADHO C(C1CCSCC1)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001279643945 1018799032 /nfs/dbraw/zinc/79/90/32/1018799032.db2.gz DUXDCFRFMQVUEI-LJQANCHMSA-N 1 3 322.562 3.860 20 0 DHADHO C(C1CCSCC1)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001279643945 1018799046 /nfs/dbraw/zinc/79/90/46/1018799046.db2.gz DUXDCFRFMQVUEI-LJQANCHMSA-N 1 3 322.562 3.860 20 0 DHADHO C1CC1[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000922898900 1018883704 /nfs/dbraw/zinc/88/37/04/1018883704.db2.gz ZGHREUPITMJTSQ-XLIONFOSSA-N 1 3 320.521 3.578 20 0 DHADHO C(C[C@@H]1CCC2(CCC2)O1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000922968197 1018955158 /nfs/dbraw/zinc/95/51/58/1018955158.db2.gz RBGIGNGHTXHNDR-IBGZPJMESA-N 1 3 320.521 3.865 20 0 DHADHO CC(C)Oc1cccc(CN(C)Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000584236610 1019039231 /nfs/dbraw/zinc/03/92/31/1019039231.db2.gz PCPCFXHOMPLNLX-UHFFFAOYSA-N 1 3 324.468 3.752 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccncc2s1 ZINC000657838047 1019088437 /nfs/dbraw/zinc/08/84/37/1019088437.db2.gz NEOCFWPWGLYWRU-CFVMTHIKSA-N 1 3 301.459 3.574 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2ccncc2s1 ZINC000657838047 1019088446 /nfs/dbraw/zinc/08/84/46/1019088446.db2.gz NEOCFWPWGLYWRU-CFVMTHIKSA-N 1 3 301.459 3.574 20 0 DHADHO CC1(C)Cc2occc2[C@@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000635011544 1019147937 /nfs/dbraw/zinc/14/79/37/1019147937.db2.gz QFUZQWQUVBDOFR-SFHVURJKSA-N 1 3 310.441 3.729 20 0 DHADHO C[C@H]1C(=O)CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)C12CCCC2 ZINC001171644907 1032811252 /nfs/dbraw/zinc/81/12/52/1032811252.db2.gz UGKYMSPUEJNCCH-HNNXBMFYSA-N 1 3 320.521 3.862 20 0 DHADHO Cc1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000090015092 1019372815 /nfs/dbraw/zinc/37/28/15/1019372815.db2.gz VFZOPIPGIRVVCU-UHFFFAOYSA-N 1 3 300.490 3.924 20 0 DHADHO Cc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000090015092 1019372826 /nfs/dbraw/zinc/37/28/26/1019372826.db2.gz VFZOPIPGIRVVCU-UHFFFAOYSA-N 1 3 300.490 3.924 20 0 DHADHO COc1ccc(CCN(C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171639375 1032833264 /nfs/dbraw/zinc/83/32/64/1032833264.db2.gz IAZSCSDPZAJOJS-UHFFFAOYSA-N 1 3 318.505 3.821 20 0 DHADHO COc1ccc(CC[N@H+](C)C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171639375 1032833281 /nfs/dbraw/zinc/83/32/81/1032833281.db2.gz IAZSCSDPZAJOJS-UHFFFAOYSA-N 1 3 318.505 3.821 20 0 DHADHO COc1ccc(CC[N@@H+](C)C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171639375 1032833301 /nfs/dbraw/zinc/83/33/01/1032833301.db2.gz IAZSCSDPZAJOJS-UHFFFAOYSA-N 1 3 318.505 3.821 20 0 DHADHO CN1C(C)(C)CC([NH+]2CCC3(CCC(=O)CC3)CC2)CC1(C)C ZINC001171643929 1032840796 /nfs/dbraw/zinc/84/07/96/1032840796.db2.gz YFZGXVUJVGIALV-UHFFFAOYSA-N 1 3 320.521 3.863 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C(C)(C)C(F)F ZINC000657868508 1019591657 /nfs/dbraw/zinc/59/16/57/1019591657.db2.gz UUSSWMXRDOHBLZ-RDJZCZTQSA-N 1 3 324.459 3.820 20 0 DHADHO COc1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)C)cc1 ZINC000166031996 1019767756 /nfs/dbraw/zinc/76/77/56/1019767756.db2.gz IKBKNQQZXNBBFG-YQVWRLOYSA-N 1 3 302.462 3.609 20 0 DHADHO COc1ccc([C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C(C)C)cc1 ZINC000166031996 1019767771 /nfs/dbraw/zinc/76/77/71/1019767771.db2.gz IKBKNQQZXNBBFG-YQVWRLOYSA-N 1 3 302.462 3.609 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H]1C ZINC000658168829 1020199937 /nfs/dbraw/zinc/19/99/37/1020199937.db2.gz ZJSBOXXDKQYANZ-MBOZVWFJSA-N 1 3 315.505 3.708 20 0 DHADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCC34CCCC4)CC2)ccn1 ZINC000658166230 1020200899 /nfs/dbraw/zinc/20/08/99/1020200899.db2.gz NEQGAKUWTPKVTB-LJQANCHMSA-N 1 3 313.489 3.606 20 0 DHADHO Fc1cccc2c1C[C@@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001171801256 1032892577 /nfs/dbraw/zinc/89/25/77/1032892577.db2.gz KLVOOMVIVOEGDC-MSOLQXFVSA-N 1 3 316.464 3.633 20 0 DHADHO Fc1cccc2c1C[C@@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001171801256 1032892591 /nfs/dbraw/zinc/89/25/91/1032892591.db2.gz KLVOOMVIVOEGDC-MSOLQXFVSA-N 1 3 316.464 3.633 20 0 DHADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc2c(c1)CCO2 ZINC000378890079 1020521504 /nfs/dbraw/zinc/52/15/04/1020521504.db2.gz KUNRIARQYRGEPD-CQSZACIVSA-N 1 3 302.462 3.535 20 0 DHADHO Clc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166470274 1020558566 /nfs/dbraw/zinc/55/85/66/1020558566.db2.gz BGHWVVBJYFRMMS-IAGOWNOFSA-N 1 3 304.865 3.588 20 0 DHADHO Clc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166470274 1020558573 /nfs/dbraw/zinc/55/85/73/1020558573.db2.gz BGHWVVBJYFRMMS-IAGOWNOFSA-N 1 3 304.865 3.588 20 0 DHADHO CN1CCC[C@H](C[N@H+](C)Cc2ccc(SC(F)F)cc2)C1 ZINC000735871015 1020772099 /nfs/dbraw/zinc/77/20/99/1020772099.db2.gz UTTUHRSWDDPBMX-AWEZNQCLSA-N 1 3 314.445 3.775 20 0 DHADHO CN1CCC[C@H](C[N@@H+](C)Cc2ccc(SC(F)F)cc2)C1 ZINC000735871015 1020772105 /nfs/dbraw/zinc/77/21/05/1020772105.db2.gz UTTUHRSWDDPBMX-AWEZNQCLSA-N 1 3 314.445 3.775 20 0 DHADHO CC(C)[N@H+](CCCN)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171959118 1032927882 /nfs/dbraw/zinc/92/78/82/1032927882.db2.gz QKLHNTMCAWAKBI-CYBMUJFWSA-N 1 3 302.384 3.696 20 0 DHADHO CC(C)[N@@H+](CCCN)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171959118 1032927893 /nfs/dbraw/zinc/92/78/93/1032927893.db2.gz QKLHNTMCAWAKBI-CYBMUJFWSA-N 1 3 302.384 3.696 20 0 DHADHO CC[N@@H+]1CC[C@H](NCc2cn(C(F)F)c3ccccc23)[C@H](C)C1 ZINC000858535527 1032935835 /nfs/dbraw/zinc/93/58/35/1032935835.db2.gz BIMOGPOWTTZHIJ-CJNGLKHVSA-N 1 3 321.415 3.856 20 0 DHADHO CC[N@H+]1CC[C@H](NCc2cn(C(F)F)c3ccccc23)[C@H](C)C1 ZINC000858535527 1032935844 /nfs/dbraw/zinc/93/58/44/1032935844.db2.gz BIMOGPOWTTZHIJ-CJNGLKHVSA-N 1 3 321.415 3.856 20 0 DHADHO CO[C@H](c1ccccc1Cl)[C@@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000414122926 1020914131 /nfs/dbraw/zinc/91/41/31/1020914131.db2.gz AXRATLVYSGNRHN-ACJLOTCBSA-N 1 3 322.880 3.632 20 0 DHADHO CO[C@@H](c1ccccc1Cl)[C@@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000414122927 1020914514 /nfs/dbraw/zinc/91/45/14/1020914514.db2.gz AXRATLVYSGNRHN-FZKQIMNGSA-N 1 3 322.880 3.632 20 0 DHADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CS1 ZINC000668817876 1020956271 /nfs/dbraw/zinc/95/62/71/1020956271.db2.gz BKDZOJYKXXZPIC-ULQDDVLXSA-N 1 3 310.551 3.618 20 0 DHADHO CC1(c2ccccc2)CC([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000668817853 1020956741 /nfs/dbraw/zinc/95/67/41/1020956741.db2.gz AYFJAEAMAVUIDN-KMFTYDHNSA-N 1 3 312.501 3.818 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)C1CCC(C(F)(F)F)CC1 ZINC000423274684 1021164697 /nfs/dbraw/zinc/16/46/97/1021164697.db2.gz KTJIAZSJJONWEC-NVLWSQAISA-N 1 3 306.416 3.851 20 0 DHADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccnn2-c2ccccc2)cc1 ZINC000423296176 1021167137 /nfs/dbraw/zinc/16/71/37/1021167137.db2.gz YOIRCXBIESNSMF-HOTGVXAUSA-N 1 3 320.440 3.743 20 0 DHADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423481505 1021257779 /nfs/dbraw/zinc/25/77/79/1021257779.db2.gz WWMACEMYNQCDEP-GDAAHCPNSA-N 1 3 304.453 3.543 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(OC(F)(F)F)c1 ZINC000181911524 1021389366 /nfs/dbraw/zinc/38/93/66/1021389366.db2.gz QCRSNWUGXZSUOH-GXTWGEPZSA-N 1 3 316.367 3.720 20 0 DHADHO CSc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1F ZINC000624120568 1021391668 /nfs/dbraw/zinc/39/16/68/1021391668.db2.gz BRWCCZRTOPAQDW-UONOGXRCSA-N 1 3 310.482 3.930 20 0 DHADHO CC(C)(CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(F)(F)F ZINC000566088804 1032979534 /nfs/dbraw/zinc/97/95/34/1032979534.db2.gz PQBCHFQYZBXKTI-ZIAGYGMSSA-N 1 3 300.368 3.658 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc2c(c1)CCO2 ZINC000125800887 1032985651 /nfs/dbraw/zinc/98/56/51/1032985651.db2.gz SBBHEAALAJAQIA-VQIMIIECSA-N 1 3 316.489 3.783 20 0 DHADHO CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121822 1021503231 /nfs/dbraw/zinc/50/32/31/1021503231.db2.gz DMVCFXJECYQMRS-UXHICEINSA-N 1 3 318.505 3.549 20 0 DHADHO Cc1cccnc1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000093190386 1021524909 /nfs/dbraw/zinc/52/49/09/1021524909.db2.gz VGEYQECJGINASW-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1cccnc1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000093190386 1021524914 /nfs/dbraw/zinc/52/49/14/1021524914.db2.gz VGEYQECJGINASW-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892743180 1021591159 /nfs/dbraw/zinc/59/11/59/1021591159.db2.gz KDOTVIOTUZHERK-CYBMUJFWSA-N 1 3 300.368 3.585 20 0 DHADHO C[C@@H]1CCCCN1Cc1cncc(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000556192473 1021600013 /nfs/dbraw/zinc/60/00/13/1021600013.db2.gz BLONXECEVCZRGF-CALCHBBNSA-N 1 3 301.478 3.830 20 0 DHADHO C[C@@H]1CCCCN1Cc1cncc(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000556192473 1021600020 /nfs/dbraw/zinc/60/00/20/1021600020.db2.gz BLONXECEVCZRGF-CALCHBBNSA-N 1 3 301.478 3.830 20 0 DHADHO C[C@@H]1CCCC[N@H+]1Cc1cncc(CN2CCCC[C@@H]2C)c1 ZINC000556192473 1021600026 /nfs/dbraw/zinc/60/00/26/1021600026.db2.gz BLONXECEVCZRGF-CALCHBBNSA-N 1 3 301.478 3.830 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1Cc1cncc(CN2CCCC[C@@H]2C)c1 ZINC000556192473 1021600032 /nfs/dbraw/zinc/60/00/32/1021600032.db2.gz BLONXECEVCZRGF-CALCHBBNSA-N 1 3 301.478 3.830 20 0 DHADHO CCCCN1CCC([NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000093943688 1021701006 /nfs/dbraw/zinc/70/10/06/1021701006.db2.gz RJTNAEVGYOGNCX-MRXNPFEDSA-N 1 3 303.494 3.668 20 0 DHADHO CSC1(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC1 ZINC000556475447 1021731701 /nfs/dbraw/zinc/73/17/01/1021731701.db2.gz VPEUWEHZYZEFRR-SJORKVTESA-N 1 3 310.551 3.859 20 0 DHADHO CSC1(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCC1 ZINC000556475447 1021731707 /nfs/dbraw/zinc/73/17/07/1021731707.db2.gz VPEUWEHZYZEFRR-SJORKVTESA-N 1 3 310.551 3.859 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3c1cccc3Cl)C2 ZINC001172104410 1033005587 /nfs/dbraw/zinc/00/55/87/1033005587.db2.gz CKHGKVKXXFVLCN-KYZVSKTDSA-N 1 3 304.865 3.932 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3c1cccc3Cl)C2 ZINC001172104410 1033005598 /nfs/dbraw/zinc/00/55/98/1033005598.db2.gz CKHGKVKXXFVLCN-KYZVSKTDSA-N 1 3 304.865 3.932 20 0 DHADHO CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000556589033 1021781856 /nfs/dbraw/zinc/78/18/56/1021781856.db2.gz HHDUDCZTYQZMJX-IAGOWNOFSA-N 1 3 304.478 3.858 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](c1cccc(F)c1)C1CC1)C2 ZINC001172110695 1033012948 /nfs/dbraw/zinc/01/29/48/1033012948.db2.gz LTVRKFVASIMOMZ-RDGPPVDQSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](c1cccc(F)c1)C1CC1)C2 ZINC001172110695 1033012957 /nfs/dbraw/zinc/01/29/57/1033012957.db2.gz LTVRKFVASIMOMZ-RDGPPVDQSA-N 1 3 302.437 3.882 20 0 DHADHO Cc1ccccc1CNC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309841401 1021890785 /nfs/dbraw/zinc/89/07/85/1021890785.db2.gz WFXSOFRUYSLNJA-NRFANRHFSA-N 1 3 308.469 3.997 20 0 DHADHO Cc1ccccc1CNC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309841401 1021890793 /nfs/dbraw/zinc/89/07/93/1021890793.db2.gz WFXSOFRUYSLNJA-NRFANRHFSA-N 1 3 308.469 3.997 20 0 DHADHO CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(OC)c1 ZINC001172113373 1033017192 /nfs/dbraw/zinc/01/71/92/1033017192.db2.gz COYSHZBSNDMMMQ-SFNKJDCFSA-N 1 3 302.462 3.751 20 0 DHADHO CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(OC)c1 ZINC001172113373 1033017207 /nfs/dbraw/zinc/01/72/07/1033017207.db2.gz COYSHZBSNDMMMQ-SFNKJDCFSA-N 1 3 302.462 3.751 20 0 DHADHO C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001205997038 1022224308 /nfs/dbraw/zinc/22/43/08/1022224308.db2.gz YWEROVLNZDKPFZ-YPMHNXCESA-N 1 3 301.261 3.800 20 0 DHADHO FC(F)(F)C1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000853241474 1022242734 /nfs/dbraw/zinc/24/27/34/1022242734.db2.gz VPYYEJGYEAJIFW-QQFBHYJXSA-N 1 3 318.427 3.819 20 0 DHADHO Cc1c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cccc1C(F)(F)F ZINC001169098107 1022244017 /nfs/dbraw/zinc/24/40/17/1022244017.db2.gz FZNYGGFIQNKLSJ-QKDCVEJESA-N 1 3 312.379 3.729 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3c(F)cc(F)cc31)C2 ZINC001169125310 1022261110 /nfs/dbraw/zinc/26/11/10/1022261110.db2.gz YSUGAISKEZYFIX-AHXJXLJNSA-N 1 3 306.400 3.557 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(OCC3CCC3)c1)C2 ZINC001169107857 1022266263 /nfs/dbraw/zinc/26/62/63/1022266263.db2.gz LKBJSUMIOURNHE-LDLYASANSA-N 1 3 314.473 3.580 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)Cc1cccc(C(F)(F)F)c1)C2 ZINC001169139375 1022266792 /nfs/dbraw/zinc/26/67/92/1022266792.db2.gz BKUHGLIFHDOVEM-MUJYYYPQSA-N 1 3 312.379 3.762 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)Cc1cccc(C(F)(F)F)c1)C2 ZINC001169139375 1022266800 /nfs/dbraw/zinc/26/68/00/1022266800.db2.gz BKUHGLIFHDOVEM-MUJYYYPQSA-N 1 3 312.379 3.762 20 0 DHADHO COc1ccc([C@H](C)[NH2+]CC2CC2)cc1CN1CCCCC1 ZINC000182312530 1022280458 /nfs/dbraw/zinc/28/04/58/1022280458.db2.gz UFTUZKHKEFEOPF-HNNXBMFYSA-N 1 3 302.462 3.742 20 0 DHADHO COCC[C@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000368528416 1022337602 /nfs/dbraw/zinc/33/76/02/1022337602.db2.gz QEQDPQWKVPCQDM-VQIMIIECSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272264901 1022498099 /nfs/dbraw/zinc/49/80/99/1022498099.db2.gz XPKJODRPGWZRBU-QKLQHJQFSA-N 1 3 309.457 3.643 20 0 DHADHO Cc1csc(CCCC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)n1 ZINC000925567824 1022534308 /nfs/dbraw/zinc/53/43/08/1022534308.db2.gz QFECUYPFYGZOKX-SJORKVTESA-N 1 3 321.534 3.532 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc(Cl)ccc1OC ZINC000158124381 1022604687 /nfs/dbraw/zinc/60/46/87/1022604687.db2.gz BJQMHVIENMWCLG-CZUORRHYSA-N 1 3 310.869 3.731 20 0 DHADHO CCC[C@@H](NC1CC[NH+](CCCOC)CC1)c1cccc(F)c1 ZINC001172246148 1033067279 /nfs/dbraw/zinc/06/72/79/1033067279.db2.gz GFOLZTKIZAAMEF-LJQANCHMSA-N 1 3 322.468 3.757 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(C)c(Cl)c2)CC1 ZINC001172248092 1033067538 /nfs/dbraw/zinc/06/75/38/1033067538.db2.gz XBIRZGFQEPSKOR-HNNXBMFYSA-N 1 3 324.896 3.800 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCc2c(OC(F)F)ccc3ccccc32)C1 ZINC000414926237 1022920925 /nfs/dbraw/zinc/92/09/25/1022920925.db2.gz NBFVELXTATWWBO-ZIAGYGMSSA-N 1 3 320.383 3.801 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CCCC1 ZINC000165338002 1022979124 /nfs/dbraw/zinc/97/91/24/1022979124.db2.gz VWNGQQAMWKZPHU-IEBWSBKVSA-N 1 3 300.490 3.719 20 0 DHADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000166782197 1023023344 /nfs/dbraw/zinc/02/33/44/1023023344.db2.gz MRWHOCCYYCXNNG-FFGOWVMKSA-N 1 3 316.489 3.617 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000166782197 1023023355 /nfs/dbraw/zinc/02/33/55/1023023355.db2.gz MRWHOCCYYCXNNG-FFGOWVMKSA-N 1 3 316.489 3.617 20 0 DHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@]2(CC2(F)F)C1 ZINC000652063211 1023112383 /nfs/dbraw/zinc/11/23/83/1023112383.db2.gz GMRJXYALYYQCLW-SFHVURJKSA-N 1 3 322.443 3.876 20 0 DHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@]2(CC2(F)F)C1 ZINC000652063211 1023112390 /nfs/dbraw/zinc/11/23/90/1023112390.db2.gz GMRJXYALYYQCLW-SFHVURJKSA-N 1 3 322.443 3.876 20 0 DHADHO CN1CC[C@]2(C1)CCC[N@H+](CCSc1ccc(Cl)cc1)C2 ZINC000660655629 1023369169 /nfs/dbraw/zinc/36/91/69/1023369169.db2.gz OKLISBGGINZBJD-KRWDZBQOSA-N 1 3 324.921 3.850 20 0 DHADHO CN1CC[C@]2(C1)CCC[N@@H+](CCSc1ccc(Cl)cc1)C2 ZINC000660655629 1023369176 /nfs/dbraw/zinc/36/91/76/1023369176.db2.gz OKLISBGGINZBJD-KRWDZBQOSA-N 1 3 324.921 3.850 20 0 DHADHO CC[C@H](C)OCC[C@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001172349354 1033130300 /nfs/dbraw/zinc/13/03/00/1033130300.db2.gz LSLBVAYNZYGXLP-FHWLQOOXSA-N 1 3 322.537 3.990 20 0 DHADHO C[C@H](CCN1CCC[C@H](CCF)C1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000661690253 1023687203 /nfs/dbraw/zinc/68/72/03/1023687203.db2.gz KTKWRGRNJNWMNB-KZNAEPCWSA-N 1 3 316.480 3.908 20 0 DHADHO C[C@H](CCN1CCC[C@H](CCF)C1)[N@H+]1CCC[C@H](CCF)C1 ZINC000661690253 1023687208 /nfs/dbraw/zinc/68/72/08/1023687208.db2.gz KTKWRGRNJNWMNB-KZNAEPCWSA-N 1 3 316.480 3.908 20 0 DHADHO C[C@H](CC[N@@H+]1CCC[C@H](CCF)C1)N1CCC[C@H](CCF)C1 ZINC000661690253 1023687212 /nfs/dbraw/zinc/68/72/12/1023687212.db2.gz KTKWRGRNJNWMNB-KZNAEPCWSA-N 1 3 316.480 3.908 20 0 DHADHO C[C@H](CC[N@H+]1CCC[C@H](CCF)C1)N1CCC[C@H](CCF)C1 ZINC000661690253 1023687224 /nfs/dbraw/zinc/68/72/24/1023687224.db2.gz KTKWRGRNJNWMNB-KZNAEPCWSA-N 1 3 316.480 3.908 20 0 DHADHO CC(C)CCC[C@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001170070059 1023765784 /nfs/dbraw/zinc/76/57/84/1023765784.db2.gz BNOGUWFVDAKVSV-KRWDZBQOSA-N 1 3 310.526 3.682 20 0 DHADHO CCOCC[C@@H](C)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172427811 1033163462 /nfs/dbraw/zinc/16/34/62/1033163462.db2.gz UEGWMHFNAIZTHY-MRXNPFEDSA-N 1 3 322.468 3.537 20 0 DHADHO CCOCC[C@@H](C)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172427811 1033163471 /nfs/dbraw/zinc/16/34/71/1033163471.db2.gz UEGWMHFNAIZTHY-MRXNPFEDSA-N 1 3 322.468 3.537 20 0 DHADHO Cc1cc(C)c([C@@H](C)N2CCO[C@@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000662325121 1024108300 /nfs/dbraw/zinc/10/83/00/1024108300.db2.gz IILWBYDLQJUJFE-MOPGFXCFSA-N 1 3 318.505 3.715 20 0 DHADHO Cc1cccc([C@@H](C)NCC2([NH+]3CCCC3)CCOCC2)c1C ZINC000268851655 1024179294 /nfs/dbraw/zinc/17/92/94/1024179294.db2.gz FXWVPDJZPOONBV-GOSISDBHSA-N 1 3 316.489 3.599 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H](CO)CCC(C)(C)C)CC1 ZINC000475680666 1024233017 /nfs/dbraw/zinc/23/30/17/1024233017.db2.gz QRNCWPJSKVYVFU-BHIYHBOVSA-N 1 3 324.553 3.806 20 0 DHADHO CCN(CC)CCC[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883164024 1024263859 /nfs/dbraw/zinc/26/38/59/1024263859.db2.gz SHQZNIWQYXKMHH-LJQANCHMSA-N 1 3 322.468 3.615 20 0 DHADHO CC[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccncc1 ZINC000453067887 1024299418 /nfs/dbraw/zinc/29/94/18/1024299418.db2.gz JQIMHBRCDZVPAG-HXUWFJFHSA-N 1 3 309.457 3.918 20 0 DHADHO CC(C)OCC[C@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001172439947 1033201214 /nfs/dbraw/zinc/20/12/14/1033201214.db2.gz HFLAAPRFCYKASG-ZWKOTPCHSA-N 1 3 308.510 3.600 20 0 DHADHO Clc1cccc2c1CC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC001168359645 1033202165 /nfs/dbraw/zinc/20/21/65/1033202165.db2.gz DIMYDKFTGRNLPE-GOSISDBHSA-N 1 3 304.865 3.791 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453091896 1024325009 /nfs/dbraw/zinc/32/50/09/1024325009.db2.gz NDDYXFPNZBDXAR-RHSMWYFYSA-N 1 3 322.518 3.777 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000453113633 1024340886 /nfs/dbraw/zinc/34/08/86/1024340886.db2.gz UVFGXKYIOLKWAZ-KRWDZBQOSA-N 1 3 300.490 3.644 20 0 DHADHO C[C@@H](CCCc1cccnc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000453192166 1024393593 /nfs/dbraw/zinc/39/35/93/1024393593.db2.gz JAMCSUJVBZDWLB-ROUUACIJSA-N 1 3 303.494 3.647 20 0 DHADHO C[C@@H](CCCc1cccnc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000453200266 1024397553 /nfs/dbraw/zinc/39/75/53/1024397553.db2.gz AMECTNMLRUEOSU-KRWDZBQOSA-N 1 3 303.494 3.504 20 0 DHADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCC4(COC4)CC3)CC2)C1 ZINC000883379286 1024411161 /nfs/dbraw/zinc/41/11/61/1024411161.db2.gz VOHUANTVTAMQMO-QFBILLFUSA-N 1 3 320.521 3.578 20 0 DHADHO CC(C)COCC[C@H](C)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172454723 1033209546 /nfs/dbraw/zinc/20/95/46/1033209546.db2.gz BSFGFTFABJRTPI-HKUYNNGSSA-N 1 3 306.494 3.720 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N2CCC[C@@]3(CCOC3)C2)CC1 ZINC000453366661 1024489308 /nfs/dbraw/zinc/48/93/08/1024489308.db2.gz MEHZVMXVRLEJMY-YZGWKJHDSA-N 1 3 320.521 3.532 20 0 DHADHO c1cnc2ccc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2c1 ZINC000271394115 1024496618 /nfs/dbraw/zinc/49/66/18/1024496618.db2.gz UNRVQLPSVPVPRV-NQIIRXRSSA-N 1 3 321.468 3.684 20 0 DHADHO c1cnc2ccc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2c1 ZINC000271394115 1024496625 /nfs/dbraw/zinc/49/66/25/1024496625.db2.gz UNRVQLPSVPVPRV-NQIIRXRSSA-N 1 3 321.468 3.684 20 0 DHADHO CC(C)COCC[C@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001172467277 1033219051 /nfs/dbraw/zinc/21/90/51/1033219051.db2.gz LOXBWOBCAJZEEX-RBUKOAKNSA-N 1 3 322.537 3.848 20 0 DHADHO CCC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccsc1 ZINC000432419197 1024666725 /nfs/dbraw/zinc/66/67/25/1024666725.db2.gz ZVIVDRAMAWHXBG-RDJZCZTQSA-N 1 3 310.507 3.680 20 0 DHADHO CCC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccsc1 ZINC000432419197 1024666729 /nfs/dbraw/zinc/66/67/29/1024666729.db2.gz ZVIVDRAMAWHXBG-RDJZCZTQSA-N 1 3 310.507 3.680 20 0 DHADHO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1C ZINC000753676727 1024705583 /nfs/dbraw/zinc/70/55/83/1024705583.db2.gz YBDCOMTWLUFBFQ-BBWFWOEESA-N 1 3 304.478 3.835 20 0 DHADHO CCC[NH+]1CCC(N[C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000102535315 1024730918 /nfs/dbraw/zinc/73/09/18/1024730918.db2.gz YLNDQPXITANTCS-LJQANCHMSA-N 1 3 304.478 3.856 20 0 DHADHO CC[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccn(C)n1 ZINC000349761736 1024747558 /nfs/dbraw/zinc/74/75/58/1024747558.db2.gz ZNIIHXQNPSYTFS-ABHNRTSZSA-N 1 3 318.509 3.504 20 0 DHADHO Cc1ncccc1CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350552797 1024827903 /nfs/dbraw/zinc/82/79/03/1024827903.db2.gz GBZAOUCOGKBRII-NHCUHLMSSA-N 1 3 323.484 3.562 20 0 DHADHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000162841749 1024901204 /nfs/dbraw/zinc/90/12/04/1024901204.db2.gz KMUPFGKPIIVQSE-LZWOXQAQSA-N 1 3 310.507 3.597 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179936 1025039515 /nfs/dbraw/zinc/03/95/15/1025039515.db2.gz ODTNXHCWCVUVFE-TZIWHRDSSA-N 1 3 308.469 3.902 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179936 1025039524 /nfs/dbraw/zinc/03/95/24/1025039524.db2.gz ODTNXHCWCVUVFE-TZIWHRDSSA-N 1 3 308.469 3.902 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000320179936 1025039535 /nfs/dbraw/zinc/03/95/35/1025039535.db2.gz ODTNXHCWCVUVFE-TZIWHRDSSA-N 1 3 308.469 3.902 20 0 DHADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(C)c1 ZINC000353502456 1025090341 /nfs/dbraw/zinc/09/03/41/1025090341.db2.gz LKLYDFXFWPWXJF-WSTZPKSXSA-N 1 3 318.505 3.925 20 0 DHADHO CSCc1cc(F)ccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353546846 1025119077 /nfs/dbraw/zinc/11/90/77/1025119077.db2.gz WWUQLHSTLVHVRC-KURKYZTESA-N 1 3 322.493 3.651 20 0 DHADHO CSCc1cc(F)ccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353546846 1025119084 /nfs/dbraw/zinc/11/90/84/1025119084.db2.gz WWUQLHSTLVHVRC-KURKYZTESA-N 1 3 322.493 3.651 20 0 DHADHO CSCc1cc(F)ccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000353546846 1025119088 /nfs/dbraw/zinc/11/90/88/1025119088.db2.gz WWUQLHSTLVHVRC-KURKYZTESA-N 1 3 322.493 3.651 20 0 DHADHO CC(C)Oc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000122846900 1025210638 /nfs/dbraw/zinc/21/06/38/1025210638.db2.gz PAOWUFJMVMQJSU-HNNXBMFYSA-N 1 3 302.462 3.751 20 0 DHADHO CCc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000539073626 1033268224 /nfs/dbraw/zinc/26/82/24/1033268224.db2.gz NZXBOFSIRAGVOT-FGTMMUONSA-N 1 3 318.505 3.789 20 0 DHADHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000539071067 1033270076 /nfs/dbraw/zinc/27/00/76/1033270076.db2.gz MTCGPPUOFOFADK-OTWHNJEPSA-N 1 3 318.505 3.843 20 0 DHADHO Cc1ccncc1CNCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000279836148 1025282286 /nfs/dbraw/zinc/28/22/86/1025282286.db2.gz HGNFJHNSXGFPBI-QGZVFWFLSA-N 1 3 323.484 3.912 20 0 DHADHO Cc1ccncc1CNCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000279836148 1025282299 /nfs/dbraw/zinc/28/22/99/1025282299.db2.gz HGNFJHNSXGFPBI-QGZVFWFLSA-N 1 3 323.484 3.912 20 0 DHADHO CC[NH+](CC)CCOC1CCN(C/C=C/c2ccccc2)CC1 ZINC000354045532 1025334616 /nfs/dbraw/zinc/33/46/16/1025334616.db2.gz VLHMGFMCRMLMLC-DHZHZOJOSA-N 1 3 316.489 3.523 20 0 DHADHO COc1ccc2cc([C@@H](C)NC[C@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000124355556 1025335583 /nfs/dbraw/zinc/33/55/83/1025335583.db2.gz UXLUVRGVOUXACJ-HZPDHXFCSA-N 1 3 324.468 3.983 20 0 DHADHO COc1ccc2cc([C@@H](C)NC[C@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000124355556 1025335599 /nfs/dbraw/zinc/33/55/99/1025335599.db2.gz UXLUVRGVOUXACJ-HZPDHXFCSA-N 1 3 324.468 3.983 20 0 DHADHO c1ccc([C@@H]2CCC[C@@H]([NH+]3CCN(c4ccncc4)CC3)C2)cc1 ZINC001172543630 1033276538 /nfs/dbraw/zinc/27/65/38/1033276538.db2.gz HGSZOZMWJNVRHT-TZIWHRDSSA-N 1 3 321.468 3.930 20 0 DHADHO CO[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000885954385 1025416628 /nfs/dbraw/zinc/41/66/28/1025416628.db2.gz WPUVLBUSAPKYTP-UYAOXDASSA-N 1 3 322.537 3.968 20 0 DHADHO CO[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000886008571 1025436597 /nfs/dbraw/zinc/43/65/97/1025436597.db2.gz PWVHVGOZRFPRCM-LPHOPBHVSA-N 1 3 308.510 3.721 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)[C@H]1CCCN(C2CCC2)C1 ZINC000886127044 1025520551 /nfs/dbraw/zinc/52/05/51/1025520551.db2.gz ACRYYAQMRREJQL-JENIJYKNSA-N 1 3 320.521 3.578 20 0 DHADHO C[C@H](NC[C@H]1CCC2(CCC2)CO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127044 1025520556 /nfs/dbraw/zinc/52/05/56/1025520556.db2.gz ACRYYAQMRREJQL-JENIJYKNSA-N 1 3 320.521 3.578 20 0 DHADHO C[C@H](NC[C@H]1CCC2(CCC2)CO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000886127044 1025520568 /nfs/dbraw/zinc/52/05/68/1025520568.db2.gz ACRYYAQMRREJQL-JENIJYKNSA-N 1 3 320.521 3.578 20 0 DHADHO CC[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccccc1OC ZINC000355032654 1025585600 /nfs/dbraw/zinc/58/56/00/1025585600.db2.gz CHWRGRMSNMDILC-QGZVFWFLSA-N 1 3 304.478 3.858 20 0 DHADHO CC[C@H](N[C@@H](C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000049553283 1025715910 /nfs/dbraw/zinc/71/59/10/1025715910.db2.gz HVQAQYHBXZHBNT-WFASDCNBSA-N 1 3 313.283 3.830 20 0 DHADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000886588685 1025727839 /nfs/dbraw/zinc/72/78/39/1025727839.db2.gz XHDIHEBCYLMTGL-LSTDLKDCSA-N 1 3 308.510 3.577 20 0 DHADHO CCCCN1CCC([NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806136123 1025779141 /nfs/dbraw/zinc/77/91/41/1025779141.db2.gz SEAVTABBXUCBTK-OAHLLOKOSA-N 1 3 307.869 3.576 20 0 DHADHO CC1CC[NH+](C[C@@H]2CCCN(CC3(O)CCCCCC3)C2)CC1 ZINC001307440479 1025802359 /nfs/dbraw/zinc/80/23/59/1025802359.db2.gz NREDCGAGHFUPMS-IBGZPJMESA-N 1 3 322.537 3.516 20 0 DHADHO C[C@@H]1C[C@@H](N(C)Cc2cccc(-c3cccnc3)c2)CC[N@@H+]1C ZINC000093644217 1026121357 /nfs/dbraw/zinc/12/13/57/1026121357.db2.gz VSXFOPJJIIIQEB-UZLBHIALSA-N 1 3 309.457 3.663 20 0 DHADHO C[C@@H]1C[C@@H](N(C)Cc2cccc(-c3cccnc3)c2)CC[N@H+]1C ZINC000093644217 1026121369 /nfs/dbraw/zinc/12/13/69/1026121369.db2.gz VSXFOPJJIIIQEB-UZLBHIALSA-N 1 3 309.457 3.663 20 0 DHADHO CC(C)N1CCN(CCC[N@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419341519 1026185586 /nfs/dbraw/zinc/18/55/86/1026185586.db2.gz YUWZBLZEFSQZFW-MOPGFXCFSA-N 1 3 323.569 3.549 20 0 DHADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419341519 1026185591 /nfs/dbraw/zinc/18/55/91/1026185591.db2.gz YUWZBLZEFSQZFW-MOPGFXCFSA-N 1 3 323.569 3.549 20 0 DHADHO Clc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000533075688 1026207985 /nfs/dbraw/zinc/20/79/85/1026207985.db2.gz BJESXWZYJPGIDH-YJBOKZPZSA-N 1 3 304.865 3.789 20 0 DHADHO Clc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000533075688 1026207995 /nfs/dbraw/zinc/20/79/95/1026207995.db2.gz BJESXWZYJPGIDH-YJBOKZPZSA-N 1 3 304.865 3.789 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000571431461 1026280203 /nfs/dbraw/zinc/28/02/03/1026280203.db2.gz HJQVIVLJRWZRLZ-JKSUJKDBSA-N 1 3 321.534 3.840 20 0 DHADHO c1ccc([C@@H](NCCCC2CC[NH2+]CC2)c2ccccn2)cc1 ZINC000647802907 1026478218 /nfs/dbraw/zinc/47/82/18/1026478218.db2.gz XZPZSAWDNNGBGD-HXUWFJFHSA-N 1 3 309.457 3.540 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)C1CCOCC1 ZINC000513335403 1026480011 /nfs/dbraw/zinc/48/00/11/1026480011.db2.gz OVNONIQQTPGVLJ-VDGAXYAQSA-N 1 3 322.537 3.824 20 0 DHADHO Cc1ccoc1CNCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513544361 1026538321 /nfs/dbraw/zinc/53/83/21/1026538321.db2.gz HFKPNJVSRIIKFG-MJGOQNOKSA-N 1 3 312.457 3.978 20 0 DHADHO Cc1ccoc1CNCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513544361 1026538327 /nfs/dbraw/zinc/53/83/27/1026538327.db2.gz HFKPNJVSRIIKFG-MJGOQNOKSA-N 1 3 312.457 3.978 20 0 DHADHO Cc1cc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(C)o1 ZINC000809703546 1026600074 /nfs/dbraw/zinc/60/00/74/1026600074.db2.gz MDVBXJZRGYDNPR-OAQYLSRUSA-N 1 3 324.468 3.994 20 0 DHADHO Cc1cc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(C)o1 ZINC000809703546 1026600080 /nfs/dbraw/zinc/60/00/80/1026600080.db2.gz MDVBXJZRGYDNPR-OAQYLSRUSA-N 1 3 324.468 3.994 20 0 DHADHO CC(C)c1ccc(OCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1 ZINC000513691152 1026617864 /nfs/dbraw/zinc/61/78/64/1026617864.db2.gz RQYNMDBWTPDMHG-AQNXPRMDSA-N 1 3 316.489 3.651 20 0 DHADHO CCCCCC[C@@H](CC)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001170590312 1026643240 /nfs/dbraw/zinc/64/32/40/1026643240.db2.gz HRUBKYZPMPJBHT-GUDVDZBRSA-N 1 3 310.526 3.968 20 0 DHADHO FC(F)(F)c1ccc([C@H]2CCCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647883933 1026648502 /nfs/dbraw/zinc/64/85/02/1026648502.db2.gz LFQIEXPPTALWQO-XJKSGUPXSA-N 1 3 312.379 3.842 20 0 DHADHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1C(F)(F)F ZINC000414444564 1026788854 /nfs/dbraw/zinc/78/88/54/1026788854.db2.gz QAGHFOBKIOBUFT-CJNGLKHVSA-N 1 3 314.395 3.786 20 0 DHADHO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1C(F)(F)F ZINC000414444564 1026788863 /nfs/dbraw/zinc/78/88/63/1026788863.db2.gz QAGHFOBKIOBUFT-CJNGLKHVSA-N 1 3 314.395 3.786 20 0 DHADHO CC[NH+]1CCC(N[C@@H]2CCCc3c4cc(F)ccc4[nH]c32)CC1 ZINC000204973615 1026827167 /nfs/dbraw/zinc/82/71/67/1026827167.db2.gz QRRMAZOMYVNWDV-GOSISDBHSA-N 1 3 315.436 3.758 20 0 DHADHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(C)n1 ZINC000421380160 1026972768 /nfs/dbraw/zinc/97/27/68/1026972768.db2.gz LVCQQCYJHOWZMG-GHTZIAJQSA-N 1 3 323.484 3.699 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000561976909 1027152474 /nfs/dbraw/zinc/15/24/74/1027152474.db2.gz WTMXJNOBFUYFAS-HUUCEWRRSA-N 1 3 310.432 3.606 20 0 DHADHO COc1ccc2c(c1F)CC[C@@H]2N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000572201068 1027183495 /nfs/dbraw/zinc/18/34/95/1027183495.db2.gz SSIFXKMUXZGNMJ-DOTOQJQBSA-N 1 3 322.468 3.778 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170663429 1027190191 /nfs/dbraw/zinc/19/01/91/1027190191.db2.gz BCLIEKLAFINXDV-PBHICJAKSA-N 1 3 322.443 3.676 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000572546966 1027210665 /nfs/dbraw/zinc/21/06/65/1027210665.db2.gz UFNUVJYXYNNAAF-KBXCAEBGSA-N 1 3 306.881 3.593 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422724516 1027305809 /nfs/dbraw/zinc/30/58/09/1027305809.db2.gz VWSUUVNUDKXBPG-GOEBONIOSA-N 1 3 314.395 3.745 20 0 DHADHO Cc1[nH]c2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2c1C ZINC000422724568 1027306704 /nfs/dbraw/zinc/30/67/04/1027306704.db2.gz WAWRFNOWDCSLQV-NZSAHSFTSA-N 1 3 311.473 3.795 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCCCCOCCc2ccccc2)c2ccccc21 ZINC000422724285 1027307307 /nfs/dbraw/zinc/30/73/07/1027307307.db2.gz VGDGYSXSDXVPPO-RTWAWAEBSA-N 1 3 324.468 3.760 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000422749009 1027309867 /nfs/dbraw/zinc/30/98/67/1027309867.db2.gz WZYMYBVNAWMPPK-NEPJUHHUSA-N 1 3 303.837 3.914 20 0 DHADHO Cc1ccccc1[C@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422741369 1027310985 /nfs/dbraw/zinc/31/09/85/1027310985.db2.gz DJBSSWIQPRFTER-LDQXTDLNSA-N 1 3 322.452 3.902 20 0 DHADHO Cc1cccc(O[C@H](C)CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422778084 1027319479 /nfs/dbraw/zinc/31/94/79/1027319479.db2.gz ABEPHPXWSOXBMF-BTHPGYMESA-N 1 3 316.489 3.663 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(C(F)(F)F)c1 ZINC000422763513 1027322679 /nfs/dbraw/zinc/32/26/79/1027322679.db2.gz OTPSWKCDOJKMPB-NSHDSACASA-N 1 3 323.362 3.718 20 0 DHADHO CCOc1ccc([C@H](N[C@H](C)C[C@H](C)[NH3+])C(C)C)cc1OCC ZINC000422799688 1027326841 /nfs/dbraw/zinc/32/68/41/1027326841.db2.gz YAPWIJVIHNGSRV-QMTMVMCOSA-N 1 3 322.493 3.897 20 0 DHADHO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2C[C@H](N)c3ccccc32)cc1 ZINC000422803936 1027326900 /nfs/dbraw/zinc/32/69/00/1027326900.db2.gz DOHTYCVHDYCMPM-BURNTYAHSA-N 1 3 322.452 3.950 20 0 DHADHO CC[C@@H](N[C@H](C)CCCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422812145 1027331129 /nfs/dbraw/zinc/33/11/29/1027331129.db2.gz PZUDNTUMOZLXQT-NXEZZACHSA-N 1 3 309.401 3.720 20 0 DHADHO C[C@H](CC[NH2+][C@H]1CCC[C@H]1CN)c1cccc(C(F)(F)F)c1 ZINC000422810826 1027332217 /nfs/dbraw/zinc/33/22/17/1027332217.db2.gz NYLBKXKGXLLWNA-INWMFGNUSA-N 1 3 314.395 3.916 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCCCCOc2ccc(F)cc2)c2ccccc21 ZINC000422829760 1027334473 /nfs/dbraw/zinc/33/44/73/1027334473.db2.gz HXJVHLOAZWAYPX-RTBURBONSA-N 1 3 314.404 3.719 20 0 DHADHO COc1ccc(-c2ccc(CN[C@@H](C)C[C@H](C)[NH3+])s2)cc1 ZINC000422831196 1027335992 /nfs/dbraw/zinc/33/59/92/1027335992.db2.gz WLXOLESUVZSVJT-STQMWFEESA-N 1 3 304.459 3.639 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCCc2c[nH]c3cc(F)ccc23)c2ccccc21 ZINC000422830812 1027336323 /nfs/dbraw/zinc/33/63/23/1027336323.db2.gz DBXPBEURHJIAOZ-MJGOQNOKSA-N 1 3 309.388 3.584 20 0 DHADHO CC[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)Oc1cccc(F)c1 ZINC000422844863 1027345952 /nfs/dbraw/zinc/34/59/52/1027345952.db2.gz ALUFACGYUYXRTO-CCKFTAQKSA-N 1 3 314.404 3.718 20 0 DHADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccccc1COCc1ccccc1 ZINC000422867374 1027348081 /nfs/dbraw/zinc/34/80/81/1027348081.db2.gz SAVYANDYXKIRKQ-NQIIRXRSSA-N 1 3 324.468 3.620 20 0 DHADHO C[C@H](CCCC[NH3+])N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422885204 1027351075 /nfs/dbraw/zinc/35/10/75/1027351075.db2.gz GJYCRBIXPNCBNV-KDOFPFPSSA-N 1 3 317.864 3.932 20 0 DHADHO Cc1ccc(-c2cccc(CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])c2)cc1 ZINC000422929003 1027366416 /nfs/dbraw/zinc/36/64/16/1027366416.db2.gz NWMFYWSFGNOAGT-MAODMQOUSA-N 1 3 324.468 3.504 20 0 DHADHO CC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(C)c1 ZINC000422917505 1027372917 /nfs/dbraw/zinc/37/29/17/1027372917.db2.gz FFFWGHGXPYAWRZ-BTHPGYMESA-N 1 3 316.489 3.663 20 0 DHADHO CC(C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000422978952 1027382562 /nfs/dbraw/zinc/38/25/62/1027382562.db2.gz LDKAULDDJOTHNR-NMLBUPMWSA-N 1 3 315.505 3.633 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000423000455 1027385377 /nfs/dbraw/zinc/38/53/77/1027385377.db2.gz ZGQABPQXANXDKX-LMCOJAPRSA-N 1 3 316.489 3.665 20 0 DHADHO Clc1ccccc1OCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422997212 1027386177 /nfs/dbraw/zinc/38/61/77/1027386177.db2.gz AXYYEHSPBLVOIJ-BHYGNILZSA-N 1 3 322.880 3.619 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422981480 1027386675 /nfs/dbraw/zinc/38/66/75/1027386675.db2.gz OHXMTGXDWKRVJZ-SXLOBPIMSA-N 1 3 316.489 3.578 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(OCc2ccccc2F)cc1 ZINC000423053771 1027408460 /nfs/dbraw/zinc/40/84/60/1027408460.db2.gz SXEZRECQLMKAOZ-CABCVRRESA-N 1 3 316.420 3.620 20 0 DHADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2cccc(Cl)c2F)CCCC1 ZINC000423078674 1027411491 /nfs/dbraw/zinc/41/14/91/1027411491.db2.gz OXWZJZCRVZZNPW-GJZGRUSLSA-N 1 3 310.844 3.760 20 0 DHADHO [NH3+]C[C@@H]1CCCC[C@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423096946 1027415214 /nfs/dbraw/zinc/41/52/14/1027415214.db2.gz QCPGJTGYJNLFCZ-PDKWGQGHSA-N 1 3 310.844 3.774 20 0 DHADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423096946 1027415218 /nfs/dbraw/zinc/41/52/18/1027415218.db2.gz QCPGJTGYJNLFCZ-PDKWGQGHSA-N 1 3 310.844 3.774 20 0 DHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092336 1027415433 /nfs/dbraw/zinc/41/54/33/1027415433.db2.gz BKRQZTHGEHOFFP-HSCHXYMDSA-N 1 3 312.432 3.620 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000423149842 1027431936 /nfs/dbraw/zinc/43/19/36/1027431936.db2.gz XXVSNPJWYPOTTA-YOEHRIQHSA-N 1 3 309.457 3.619 20 0 DHADHO CC[C@@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423173108 1027439435 /nfs/dbraw/zinc/43/94/35/1027439435.db2.gz WXZUPYLHUTXEHU-SFHLNBCPSA-N 1 3 322.452 3.983 20 0 DHADHO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C2CCNCC2)cc1 ZINC000423177394 1027442752 /nfs/dbraw/zinc/44/27/52/1027442752.db2.gz DUEQMRAAHXAPTR-QGZVFWFLSA-N 1 3 316.489 3.694 20 0 DHADHO COc1ccc([C@@H](Cc2ccccc2)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423207372 1027446211 /nfs/dbraw/zinc/44/62/11/1027446211.db2.gz GWQPSLSIWHCCSW-WIYYLYMNSA-N 1 3 324.468 3.568 20 0 DHADHO C[C@@H]([NH2+]CC1(N)CCCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423208048 1027446233 /nfs/dbraw/zinc/44/62/33/1027446233.db2.gz YLTDLYHNGWCLQT-MRXNPFEDSA-N 1 3 312.461 3.575 20 0 DHADHO NCC[NH2+][C@H](CCSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000423189256 1027448565 /nfs/dbraw/zinc/44/85/65/1027448565.db2.gz QTVKIROXGMRQEG-QGZVFWFLSA-N 1 3 322.424 3.737 20 0 DHADHO CCC[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccsc1 ZINC000423190231 1027450068 /nfs/dbraw/zinc/45/00/68/1027450068.db2.gz QQIUCXRVLPDTDW-QGZVFWFLSA-N 1 3 303.475 3.754 20 0 DHADHO [NH3+]CCCN[C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423187561 1027450314 /nfs/dbraw/zinc/45/03/14/1027450314.db2.gz YERPFXHNYLZWAO-CYBMUJFWSA-N 1 3 321.877 3.779 20 0 DHADHO CC(C)[C@@H](N)C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423284476 1027483231 /nfs/dbraw/zinc/48/32/31/1027483231.db2.gz YBIPJRDMUILJFG-ZWKOTPCHSA-N 1 3 317.864 3.592 20 0 DHADHO COc1cccc2cc([C@H](C)N[C@H]3CCCC[C@H]3C[NH3+])oc21 ZINC000423269330 1027490762 /nfs/dbraw/zinc/49/07/62/1027490762.db2.gz FKXXYXWDSNTJAE-QEJZJMRPSA-N 1 3 302.418 3.610 20 0 DHADHO CCOc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc1OCC ZINC000423277370 1027492234 /nfs/dbraw/zinc/49/22/34/1027492234.db2.gz PLJRMEKBHZUJMQ-UAGQMJEPSA-N 1 3 320.477 3.652 20 0 DHADHO CC(C)[C@@H](N)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423280061 1027493942 /nfs/dbraw/zinc/49/39/42/1027493942.db2.gz SSOSPEVNVQZZJE-GJZGRUSLSA-N 1 3 300.368 3.729 20 0 DHADHO CC(C)[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423314659 1027497420 /nfs/dbraw/zinc/49/74/20/1027497420.db2.gz HLYHROHTIHAIRV-HUUCEWRRSA-N 1 3 300.368 3.729 20 0 DHADHO C[C@H]([NH2+]CC1(N)CCC1)c1cccc(OCc2ccccc2)c1 ZINC000423316494 1027501334 /nfs/dbraw/zinc/50/13/34/1027501334.db2.gz BSJIYWOSATUAIB-INIZCTEOSA-N 1 3 310.441 3.798 20 0 DHADHO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C[C@H](C)CN)cc1 ZINC000423303967 1027506514 /nfs/dbraw/zinc/50/65/14/1027506514.db2.gz XVEIJPFUFIRWSF-SJORKVTESA-N 1 3 304.478 3.537 20 0 DHADHO CC[C@@H]([NH2+]CC1(N)CCC1)c1ccc(OC(F)(F)F)cc1 ZINC000423341847 1027518311 /nfs/dbraw/zinc/51/83/11/1027518311.db2.gz YDLKTXKGOMCYKM-CYBMUJFWSA-N 1 3 302.340 3.507 20 0 DHADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CCNC[C@H]1C ZINC000423382111 1027528046 /nfs/dbraw/zinc/52/80/46/1027528046.db2.gz DFYXTXBHYWDBAS-RKVPGOIHSA-N 1 3 313.489 3.812 20 0 DHADHO Cc1cc2c(cc1C)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CCCO2 ZINC000423393151 1027535610 /nfs/dbraw/zinc/53/56/10/1027535610.db2.gz QNDCTRVKTBJGGJ-FQEVSTJZSA-N 1 3 322.452 3.910 20 0 DHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H](C)[C@H](C)N ZINC000423442166 1027543366 /nfs/dbraw/zinc/54/33/66/1027543366.db2.gz JLUOQLBUWXQXHL-XQQFMLRXSA-N 1 3 303.475 3.813 20 0 DHADHO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423460398 1027555895 /nfs/dbraw/zinc/55/58/95/1027555895.db2.gz BAWCJIMQLVIMRM-UWWQBHOKSA-N 1 3 306.469 3.933 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CCC1 ZINC000423466668 1027557491 /nfs/dbraw/zinc/55/74/91/1027557491.db2.gz ITKGOVFZYGWLPQ-QXAKKESOSA-N 1 3 304.453 3.687 20 0 DHADHO COc1ccc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1O ZINC000423524916 1027580181 /nfs/dbraw/zinc/58/01/81/1027580181.db2.gz XMUYPQCFKIZXKY-WMLDXEAASA-N 1 3 314.429 3.532 20 0 DHADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562775601 1027600875 /nfs/dbraw/zinc/60/08/75/1027600875.db2.gz VBXSWFXHQJCNRU-GDBMZVCRSA-N 1 3 312.379 3.622 20 0 DHADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562775601 1027600883 /nfs/dbraw/zinc/60/08/83/1027600883.db2.gz VBXSWFXHQJCNRU-GDBMZVCRSA-N 1 3 312.379 3.622 20 0 DHADHO C[C@@H](N[C@H]1CCc2c1cccc2O)c1cccc(C[NH+](C)C)c1 ZINC000924966363 1027638197 /nfs/dbraw/zinc/63/81/97/1027638197.db2.gz DPIIKHHIRYCOLK-KUHUBIRLSA-N 1 3 310.441 3.792 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](Cc2ccccc2C)C2CC2)C1 ZINC000576654539 1027645817 /nfs/dbraw/zinc/64/58/17/1027645817.db2.gz QAYUIFPVTXRXOV-YLJYHZDGSA-N 1 3 300.490 3.638 20 0 DHADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(-c3ccncc3)c2)C1 ZINC000576985446 1027688449 /nfs/dbraw/zinc/68/84/49/1027688449.db2.gz YXDKUZCFKIYXTD-RTWAWAEBSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(-c3ccncc3)c2)C1 ZINC000576985446 1027688452 /nfs/dbraw/zinc/68/84/52/1027688452.db2.gz YXDKUZCFKIYXTD-RTWAWAEBSA-N 1 3 321.468 3.665 20 0 DHADHO COCCC[NH+]1CCC(N[C@H](C)c2cccc(C(C)C)c2)CC1 ZINC000527860978 1027922869 /nfs/dbraw/zinc/92/28/69/1027922869.db2.gz WMXGMLOJSLMSOY-QGZVFWFLSA-N 1 3 318.505 3.962 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365821476 1028009973 /nfs/dbraw/zinc/00/99/73/1028009973.db2.gz KWDYKZQATRBVOQ-UONOGXRCSA-N 1 3 310.844 3.628 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365821476 1028009989 /nfs/dbraw/zinc/00/99/89/1028009989.db2.gz KWDYKZQATRBVOQ-UONOGXRCSA-N 1 3 310.844 3.628 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365821470 1028011358 /nfs/dbraw/zinc/01/13/58/1028011358.db2.gz KWDYKZQATRBVOQ-KBPBESRZSA-N 1 3 310.844 3.628 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365821470 1028011370 /nfs/dbraw/zinc/01/13/70/1028011370.db2.gz KWDYKZQATRBVOQ-KBPBESRZSA-N 1 3 310.844 3.628 20 0 DHADHO CCOC1CC(C[N@H+](C)C2CCN(C3CCC(C)CC3)CC2)C1 ZINC000367150245 1028140836 /nfs/dbraw/zinc/14/08/36/1028140836.db2.gz CVQBHZXAYQEYTA-UHFFFAOYSA-N 1 3 322.537 3.776 20 0 DHADHO CCOC1CC(C[N@@H+](C)C2CCN(C3CCC(C)CC3)CC2)C1 ZINC000367150245 1028140846 /nfs/dbraw/zinc/14/08/46/1028140846.db2.gz CVQBHZXAYQEYTA-UHFFFAOYSA-N 1 3 322.537 3.776 20 0 DHADHO Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000367634874 1028219754 /nfs/dbraw/zinc/21/97/54/1028219754.db2.gz PGQVMHRLQOGPLV-DYVFJYSZSA-N 1 3 320.864 3.628 20 0 DHADHO CCC[NH+]1CCC(N(C)C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449019397 1028250249 /nfs/dbraw/zinc/25/02/49/1028250249.db2.gz WDBZTIZOHXVWFT-AWEZNQCLSA-N 1 3 310.432 3.875 20 0 DHADHO CC(C)[NH+]1CCC(N(C)C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449010794 1028262099 /nfs/dbraw/zinc/26/20/99/1028262099.db2.gz UZQVESYUSIKVNB-AWEZNQCLSA-N 1 3 310.432 3.873 20 0 DHADHO CCN1CCC[C@@H](C[NH2+]Cc2cccc3c(OC)cccc23)C1 ZINC000449104030 1028355672 /nfs/dbraw/zinc/35/56/72/1028355672.db2.gz DJMKWZCDFYFIEY-INIZCTEOSA-N 1 3 312.457 3.670 20 0 DHADHO CC[N@@H+]1CCC[C@@H](CNCc2cccc3c(OC)cccc23)C1 ZINC000449104030 1028355684 /nfs/dbraw/zinc/35/56/84/1028355684.db2.gz DJMKWZCDFYFIEY-INIZCTEOSA-N 1 3 312.457 3.670 20 0 DHADHO CC[N@H+]1CCC[C@@H](CNCc2cccc3c(OC)cccc23)C1 ZINC000449104030 1028355697 /nfs/dbraw/zinc/35/56/97/1028355697.db2.gz DJMKWZCDFYFIEY-INIZCTEOSA-N 1 3 312.457 3.670 20 0 DHADHO CC(C)COc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000449178150 1028417749 /nfs/dbraw/zinc/41/77/49/1028417749.db2.gz UJMUNDZDNUQGOS-YQQQUEKLSA-N 1 3 316.489 3.826 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@]2(C)CCCO2)CC1 ZINC000449189492 1028426790 /nfs/dbraw/zinc/42/67/90/1028426790.db2.gz HOGRJKCKKFRAGD-LJQANCHMSA-N 1 3 310.526 3.824 20 0 DHADHO Cc1cccc(CC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000449232887 1028473166 /nfs/dbraw/zinc/47/31/66/1028473166.db2.gz JOQBGKAGSDUCHD-HKUYNNGSSA-N 1 3 300.490 3.780 20 0 DHADHO CC(C)Cc1ncc(CN2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000369722821 1028521168 /nfs/dbraw/zinc/52/11/68/1028521168.db2.gz UBDLFQHJZNIOPQ-UHFFFAOYSA-N 1 3 321.534 3.649 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CSc3ccccc32)CC1 ZINC000449360245 1028592350 /nfs/dbraw/zinc/59/23/50/1028592350.db2.gz HSZZOXAXHJWODS-AWEZNQCLSA-N 1 3 304.503 3.728 20 0 DHADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CSc3ccccc32)CC1 ZINC000449360245 1028592363 /nfs/dbraw/zinc/59/23/63/1028592363.db2.gz HSZZOXAXHJWODS-AWEZNQCLSA-N 1 3 304.503 3.728 20 0 DHADHO CC(C)(C)c1csc(CC[NH2+][C@H]2C[C@H](N)c3ccccc32)n1 ZINC000566004109 1028665017 /nfs/dbraw/zinc/66/50/17/1028665017.db2.gz RNFLGGWNJVBOKC-GJZGRUSLSA-N 1 3 315.486 3.718 20 0 DHADHO CN1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@H]1c1ccccc1 ZINC000371055071 1028666234 /nfs/dbraw/zinc/66/62/34/1028666234.db2.gz QGMFUEGPPYUTAI-QFBILLFUSA-N 1 3 316.395 3.747 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228857 1028692379 /nfs/dbraw/zinc/69/23/79/1028692379.db2.gz BJQHGJCAAQFVAM-RDTXWAMCSA-N 1 3 304.503 3.717 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228857 1028692387 /nfs/dbraw/zinc/69/23/87/1028692387.db2.gz BJQHGJCAAQFVAM-RDTXWAMCSA-N 1 3 304.503 3.717 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3ccc(SC)cc32)C1 ZINC000566228857 1028692395 /nfs/dbraw/zinc/69/23/95/1028692395.db2.gz BJQHGJCAAQFVAM-RDTXWAMCSA-N 1 3 304.503 3.717 20 0 DHADHO CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000568814315 1029129267 /nfs/dbraw/zinc/12/92/67/1029129267.db2.gz BYKZCUKLJDMICS-HZPDHXFCSA-N 1 3 306.519 3.659 20 0 DHADHO Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@H](N)c4ccccc43)C2)cc1 ZINC000817898113 1029269397 /nfs/dbraw/zinc/26/93/97/1029269397.db2.gz ZZBKHXKDHZPFQH-NDXORKPFSA-N 1 3 321.468 3.698 20 0 DHADHO CCC[C@H]([NH2+][C@@H]1C[C@@H](N)c2ccccc21)[C@H](O)c1ccccc1 ZINC000817927631 1029279512 /nfs/dbraw/zinc/27/95/12/1029279512.db2.gz NVKHQZDUALKLDK-IYWMVGAKSA-N 1 3 310.441 3.623 20 0 DHADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1cccc(OC(F)F)c1 ZINC000817946894 1029286251 /nfs/dbraw/zinc/28/62/51/1029286251.db2.gz HIHMXUQMGSSCBL-CYBMUJFWSA-N 1 3 320.383 3.640 20 0 DHADHO N[C@@H](C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21)C1CC1 ZINC000817965982 1029307119 /nfs/dbraw/zinc/30/71/19/1029307119.db2.gz YIVQARNFOVEHRM-LSDHHAIUSA-N 1 3 312.429 3.706 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(SC(F)F)cc1 ZINC000817970340 1029310437 /nfs/dbraw/zinc/31/04/37/1029310437.db2.gz ROKRABDXPFEAIK-WCFLWFBJSA-N 1 3 300.418 3.922 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Oc2cccnc2)cc1 ZINC000570227210 1029333717 /nfs/dbraw/zinc/33/37/17/1029333717.db2.gz ZFZCIAYFCHGLKI-BHYGNILZSA-N 1 3 311.429 3.794 20 0 DHADHO CC[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000629524969 1029357063 /nfs/dbraw/zinc/35/70/63/1029357063.db2.gz WPZNYGXTTCLXFN-AWEZNQCLSA-N 1 3 317.260 3.542 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCc3sc(Cl)cc32)[C@H]2CCC[C@H]21 ZINC000570249897 1029338648 /nfs/dbraw/zinc/33/86/48/1029338648.db2.gz IHYLOGVUEBZCKY-RUZUBIRVSA-N 1 3 310.894 3.851 20 0 DHADHO C[N@H+]1CC[C@H](N[C@@H]2CCc3sc(Cl)cc32)[C@H]2CCC[C@H]21 ZINC000570249897 1029338668 /nfs/dbraw/zinc/33/86/68/1029338668.db2.gz IHYLOGVUEBZCKY-RUZUBIRVSA-N 1 3 310.894 3.851 20 0 DHADHO CC(C)C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(Cl)cc1 ZINC000629525711 1029356769 /nfs/dbraw/zinc/35/67/69/1029356769.db2.gz ZTERIJXURVAEMY-INIZCTEOSA-N 1 3 310.869 3.525 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629547406 1029363165 /nfs/dbraw/zinc/36/31/65/1029363165.db2.gz AFRFLVDYIYBJTM-NSHDSACASA-N 1 3 315.383 3.622 20 0 DHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544695 1029364573 /nfs/dbraw/zinc/36/45/73/1029364573.db2.gz IZENJUIMKXWOFO-BZNIZROVSA-N 1 3 323.843 3.610 20 0 DHADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000450326084 1029376389 /nfs/dbraw/zinc/37/63/89/1029376389.db2.gz XBRSVNAUTNZTFR-SJORKVTESA-N 1 3 314.464 3.866 20 0 DHADHO C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)COCc1ccccc1 ZINC000389923409 1029436602 /nfs/dbraw/zinc/43/66/02/1029436602.db2.gz UETYWGFBUGAJAP-YSGRDPCXSA-N 1 3 310.441 3.574 20 0 DHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)c2ccccc2)CC1 ZINC000819077802 1029479380 /nfs/dbraw/zinc/47/93/80/1029479380.db2.gz DFPUIYCNVGUFSO-UTKZUKDTSA-N 1 3 324.468 3.535 20 0 DHADHO Cc1cnccc1CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000530216414 1029785470 /nfs/dbraw/zinc/78/54/70/1029785470.db2.gz BGNVKAGYPJAJIC-RTWAWAEBSA-N 1 3 323.484 3.562 20 0 DHADHO Fc1cccc2c1C[C@H](N[C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC001170977698 1029938083 /nfs/dbraw/zinc/93/80/83/1029938083.db2.gz ZPNMQINZAXOYSK-IAGOWNOFSA-N 1 3 316.464 3.680 20 0 DHADHO Fc1cccc2c1C[C@H](N[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC001170977698 1029938098 /nfs/dbraw/zinc/93/80/98/1029938098.db2.gz ZPNMQINZAXOYSK-IAGOWNOFSA-N 1 3 316.464 3.680 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCCc3nccs3)CC2)C1 ZINC000358043900 1030296549 /nfs/dbraw/zinc/29/65/49/1030296549.db2.gz WZZGICRUGUCMRJ-NVXWUHKLSA-N 1 3 321.534 3.708 20 0 DHADHO CC[C@@H](C[C@@](C)(O)CC)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925209236 1030306483 /nfs/dbraw/zinc/30/64/83/1030306483.db2.gz WQSHUWAUAYTTQG-LPHOPBHVSA-N 1 3 310.526 3.703 20 0 DHADHO CC1(C)[C@H]([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)[C@@H]2CCCN[C@@H]21 ZINC000925542132 1030392092 /nfs/dbraw/zinc/39/20/92/1030392092.db2.gz NOGZZCZXXSNORI-SBJFKYEJSA-N 1 3 318.427 3.721 20 0 DHADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000358311321 1030430664 /nfs/dbraw/zinc/43/06/64/1030430664.db2.gz YSNQZHJUHZCYJV-NOLJZWGESA-N 1 3 312.404 3.811 20 0 DHADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000358311321 1030430672 /nfs/dbraw/zinc/43/06/72/1030430672.db2.gz YSNQZHJUHZCYJV-NOLJZWGESA-N 1 3 312.404 3.811 20 0 DHADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3ccc(Cl)cc3)C1)[NH2+]2 ZINC000925653912 1030439455 /nfs/dbraw/zinc/43/94/55/1030439455.db2.gz CBLHFKLCMJJWBL-BLYMFVFMSA-N 1 3 304.865 3.705 20 0 DHADHO CSCC1CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925681080 1030450588 /nfs/dbraw/zinc/45/05/88/1030450588.db2.gz VVJDDGBPHJXNGT-DQVOVIAYSA-N 1 3 310.551 3.666 20 0 DHADHO CC[C@H](C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)CC(F)(F)F ZINC000925700183 1030457839 /nfs/dbraw/zinc/45/78/39/1030457839.db2.gz ZYARTAHEKQRGCO-QEJZJMRPSA-N 1 3 306.416 3.723 20 0 DHADHO c1ccc2c(CC[NH2+][C@H]3CCNC[C@H]3C3CCCC3)ccnc2c1 ZINC000925705094 1030458150 /nfs/dbraw/zinc/45/81/50/1030458150.db2.gz JJKCJCDYADNYFF-FPOVZHCZSA-N 1 3 323.484 3.535 20 0 DHADHO CC(C)(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)CC(F)(F)F ZINC000925718470 1030463118 /nfs/dbraw/zinc/46/31/18/1030463118.db2.gz WRAOMUWPDQQSHD-ZIAGYGMSSA-N 1 3 306.416 3.723 20 0 DHADHO CC(C)([NH3+])CCN[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000925741515 1030474456 /nfs/dbraw/zinc/47/44/56/1030474456.db2.gz UCWWKZVQHNCSGY-AWEZNQCLSA-N 1 3 315.486 3.905 20 0 DHADHO C[C@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000358456104 1030494139 /nfs/dbraw/zinc/49/41/39/1030494139.db2.gz AITDPHARXNEKLU-WMTDPASSSA-N 1 3 308.510 3.575 20 0 DHADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CNCCC2(F)F)c2ccccc21 ZINC000925779645 1030495404 /nfs/dbraw/zinc/49/54/04/1030495404.db2.gz YTTJDUAGVQMPKY-XOKHGSTOSA-N 1 3 308.416 3.705 20 0 DHADHO FC1(F)CC[NH2+]C[C@@H]1CN[C@H](c1cccs1)C1CCCC1 ZINC000925787240 1030497797 /nfs/dbraw/zinc/49/77/97/1030497797.db2.gz ZKGCTELREWNFBI-HIFRSBDPSA-N 1 3 314.445 3.814 20 0 DHADHO [NH3+]CCC[C@@H](NCc1nccc2c1CCCC2)c1ccccc1 ZINC000925805996 1030502583 /nfs/dbraw/zinc/50/25/83/1030502583.db2.gz NMZODTVLFDCTDT-LJQANCHMSA-N 1 3 309.457 3.530 20 0 DHADHO CC(C)c1ccc(CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000558418152 1030567689 /nfs/dbraw/zinc/56/76/89/1030567689.db2.gz PXLDCWCXKOSMND-YOFSQIOKSA-N 1 3 300.490 3.910 20 0 DHADHO CC(C)c1ccc(CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000558418152 1030567706 /nfs/dbraw/zinc/56/77/06/1030567706.db2.gz PXLDCWCXKOSMND-YOFSQIOKSA-N 1 3 300.490 3.910 20 0 DHADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423778 1030569916 /nfs/dbraw/zinc/56/99/16/1030569916.db2.gz RPGKNOGCJDHYEF-PZJWPPBQSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423778 1030569925 /nfs/dbraw/zinc/56/99/25/1030569925.db2.gz RPGKNOGCJDHYEF-PZJWPPBQSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423778 1030569935 /nfs/dbraw/zinc/56/99/35/1030569935.db2.gz RPGKNOGCJDHYEF-PZJWPPBQSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000558423778 1030569942 /nfs/dbraw/zinc/56/99/42/1030569942.db2.gz RPGKNOGCJDHYEF-PZJWPPBQSA-N 1 3 321.468 3.665 20 0 DHADHO CC[N@@H+]1CC[C@H](CNC/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000558482810 1030598807 /nfs/dbraw/zinc/59/88/07/1030598807.db2.gz NIFCKBUZHDCBQM-BAAYTWLHSA-N 1 3 324.415 3.623 20 0 DHADHO CC[N@H+]1CC[C@H](CNC/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000558482810 1030598815 /nfs/dbraw/zinc/59/88/15/1030598815.db2.gz NIFCKBUZHDCBQM-BAAYTWLHSA-N 1 3 324.415 3.623 20 0 DHADHO CCC[N@H+](CCCN)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063662 1030624773 /nfs/dbraw/zinc/62/47/73/1030624773.db2.gz OAQLKLIDBKCNHL-CQSZACIVSA-N 1 3 315.288 3.912 20 0 DHADHO CCC[N@@H+](CCCN)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063662 1030624782 /nfs/dbraw/zinc/62/47/82/1030624782.db2.gz OAQLKLIDBKCNHL-CQSZACIVSA-N 1 3 315.288 3.912 20 0 DHADHO Cc1csc([C@H](C)C[NH2+]C2CCN(CCC(C)C)CC2)n1 ZINC000926150841 1030633689 /nfs/dbraw/zinc/63/36/89/1030633689.db2.gz OCJXXXDEHZWIQE-CQSZACIVSA-N 1 3 309.523 3.655 20 0 DHADHO Cc1csc([C@H](C)CNC2CC[NH+](CCC(C)C)CC2)n1 ZINC000926150841 1030633699 /nfs/dbraw/zinc/63/36/99/1030633699.db2.gz OCJXXXDEHZWIQE-CQSZACIVSA-N 1 3 309.523 3.655 20 0 DHADHO CCSCCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246623981 1030640908 /nfs/dbraw/zinc/64/09/08/1030640908.db2.gz HHYFLMMGECPEIG-WMZOPIPTSA-N 1 3 306.519 3.724 20 0 DHADHO CCSCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246623981 1030640917 /nfs/dbraw/zinc/64/09/17/1030640917.db2.gz HHYFLMMGECPEIG-WMZOPIPTSA-N 1 3 306.519 3.724 20 0 DHADHO CC(C)(CCN)[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246357855 1030660390 /nfs/dbraw/zinc/66/03/90/1030660390.db2.gz AXKNLGJYXDHSTH-GFCCVEGCSA-N 1 3 301.261 3.568 20 0 DHADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1C[C@@](C)(N)C1 ZINC001246459448 1030787367 /nfs/dbraw/zinc/78/73/67/1030787367.db2.gz KFKKABINKICKFO-HCKVZZMMSA-N 1 3 301.261 3.784 20 0 DHADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246459448 1030787349 /nfs/dbraw/zinc/78/73/49/1030787349.db2.gz KFKKABINKICKFO-HCKVZZMMSA-N 1 3 301.261 3.784 20 0 DHADHO Clc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000122678307 1030805924 /nfs/dbraw/zinc/80/59/24/1030805924.db2.gz XBOUDVJHFMWIDM-UHFFFAOYSA-N 1 3 321.896 3.664 20 0 DHADHO Fc1cccc(CC[N@H+](C[C@@H]2CCCNC2)C2CCCC2)c1 ZINC000262017371 1031090700 /nfs/dbraw/zinc/09/07/00/1031090700.db2.gz VUPAUQKNFWDDBK-QGZVFWFLSA-N 1 3 304.453 3.612 20 0 DHADHO Fc1cccc(CC[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)c1 ZINC000262017371 1031090716 /nfs/dbraw/zinc/09/07/16/1031090716.db2.gz VUPAUQKNFWDDBK-QGZVFWFLSA-N 1 3 304.453 3.612 20 0 DHADHO CC[N@H+](CCCN1CCCC1)Cc1cc2cc(Cl)cnc2o1 ZINC000648586339 1031137808 /nfs/dbraw/zinc/13/78/08/1031137808.db2.gz ALGVHGSULLTJMF-UHFFFAOYSA-N 1 3 321.852 3.789 20 0 DHADHO CC[N@@H+](CCCN1CCCC1)Cc1cc2cc(Cl)cnc2o1 ZINC000648586339 1031137820 /nfs/dbraw/zinc/13/78/20/1031137820.db2.gz ALGVHGSULLTJMF-UHFFFAOYSA-N 1 3 321.852 3.789 20 0 DHADHO FCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000777710222 1031393015 /nfs/dbraw/zinc/39/30/15/1031393015.db2.gz XGTPILZQJCLSOW-PKOBYXMFSA-N 1 3 302.437 3.605 20 0 DHADHO FCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000777710222 1031393032 /nfs/dbraw/zinc/39/30/32/1031393032.db2.gz XGTPILZQJCLSOW-PKOBYXMFSA-N 1 3 302.437 3.605 20 0 DHADHO CCC[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000360430055 1031425136 /nfs/dbraw/zinc/42/51/36/1031425136.db2.gz VTDOBSSJKHMIEE-QFBILLFUSA-N 1 3 304.478 3.858 20 0 DHADHO C[C@@H]1C[C@H](NCCOc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379658032 1031436427 /nfs/dbraw/zinc/43/64/27/1031436427.db2.gz VEEPGROHWSDZMN-UYAOXDASSA-N 1 3 324.468 3.708 20 0 DHADHO C[C@@H]1C[C@H](NCCOc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379658032 1031436436 /nfs/dbraw/zinc/43/64/36/1031436436.db2.gz VEEPGROHWSDZMN-UYAOXDASSA-N 1 3 324.468 3.708 20 0 DHADHO C[C@H](CCc1ccsc1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000360956687 1031644620 /nfs/dbraw/zinc/64/46/20/1031644620.db2.gz VYZWBJVEXZPSCV-IKGGRYGDSA-N 1 3 324.534 3.548 20 0 DHADHO Clc1ccc2c(c1)[C@H](NCc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873211806 1031760243 /nfs/dbraw/zinc/76/02/43/1031760243.db2.gz BQPBYRPKHOOOKH-MRXNPFEDSA-N 1 3 318.873 3.824 20 0 DHADHO CSc1cc(C)ccc1CNCc1cc2c(s1)CC[NH2+]C2 ZINC000873211456 1031760268 /nfs/dbraw/zinc/76/02/68/1031760268.db2.gz NSLHMOSYZNJKHH-UHFFFAOYSA-N 1 3 318.511 3.714 20 0 DHADHO CN(CCCCCC[NH3+])Cc1cnc(-c2cccs2)s1 ZINC000873231344 1031763358 /nfs/dbraw/zinc/76/33/58/1031763358.db2.gz GPJYERKUKUGGIY-UHFFFAOYSA-N 1 3 309.504 3.823 20 0 DHADHO Cc1ccc2cc(C[N@@H+]3CC[C@@](CN)(C(C)(C)C)C3)ccc2n1 ZINC000873223343 1031764026 /nfs/dbraw/zinc/76/40/26/1031764026.db2.gz KRUQINZLFVLRML-FQEVSTJZSA-N 1 3 311.473 3.740 20 0 DHADHO Cc1ccc2cc(C[N@H+]3CC[C@@](CN)(C(C)(C)C)C3)ccc2n1 ZINC000873223343 1031764039 /nfs/dbraw/zinc/76/40/39/1031764039.db2.gz KRUQINZLFVLRML-FQEVSTJZSA-N 1 3 311.473 3.740 20 0 DHADHO CN(Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc2cc[nH]c2c1 ZINC000873224913 1031764581 /nfs/dbraw/zinc/76/45/81/1031764581.db2.gz KMOGGINWRKBTMV-UHFFFAOYSA-N 1 3 311.454 3.507 20 0 DHADHO COCc1ccc(CN2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000873231692 1031767561 /nfs/dbraw/zinc/76/75/61/1031767561.db2.gz AENDFPMEFJYNLL-HNAYVOBHSA-N 1 3 320.477 3.546 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCSCCC(F)(F)F ZINC000873252961 1031775916 /nfs/dbraw/zinc/77/59/16/1031775916.db2.gz SYPGRPHZAPOWMQ-OLZOCXBDSA-N 1 3 312.445 3.572 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H]1[C@@H](c3ccccc3)C1(F)F)C2 ZINC000930460348 1031828836 /nfs/dbraw/zinc/82/88/36/1031828836.db2.gz NTPKJQQDQKSSJY-ZFHLEULCSA-N 1 3 320.427 3.592 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H]1[C@@H](c3ccccc3)C1(F)F)C2 ZINC000930460348 1031828849 /nfs/dbraw/zinc/82/88/49/1031828849.db2.gz NTPKJQQDQKSSJY-ZFHLEULCSA-N 1 3 320.427 3.592 20 0 DHADHO CCCC[N@H+](C[C@H]1C[C@]12CCOC2)C1CC(C)(C)NC(C)(C)C1 ZINC000931033931 1032015771 /nfs/dbraw/zinc/01/57/71/1032015771.db2.gz MVRASKCYHTYOAV-UZLBHIALSA-N 1 3 322.537 3.824 20 0 DHADHO CCCC[N@@H+](C[C@H]1C[C@]12CCOC2)C1CC(C)(C)NC(C)(C)C1 ZINC000931033931 1032015784 /nfs/dbraw/zinc/01/57/84/1032015784.db2.gz MVRASKCYHTYOAV-UZLBHIALSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(Cl)cc1Cl ZINC000044534507 1032054305 /nfs/dbraw/zinc/05/43/05/1032054305.db2.gz ZDBTWBCJGXMEGO-RYUDHWBXSA-N 1 3 301.261 3.986 20 0 DHADHO CC(C)(C[NH2+][C@H](Cc1ccccc1)C1CC1)CN1CCCC1 ZINC000477933617 1033373776 /nfs/dbraw/zinc/37/37/76/1033373776.db2.gz SXXKZINUXBOIFY-LJQANCHMSA-N 1 3 300.490 3.719 20 0 DHADHO C[NH+]1CCC2(CCN(Cc3cnc4ccccc4c3)CC2)CC1 ZINC000877684651 1033410064 /nfs/dbraw/zinc/41/00/64/1033410064.db2.gz RRVZFZDUZWMCTO-UHFFFAOYSA-N 1 3 309.457 3.543 20 0 DHADHO CO[C@@H]1CCC[C@H](N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001172930275 1033474399 /nfs/dbraw/zinc/47/43/99/1033474399.db2.gz RKANRDNHLQFCCS-DLBZAZTESA-N 1 3 322.880 3.547 20 0 DHADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173039890 1033504438 /nfs/dbraw/zinc/50/44/38/1033504438.db2.gz RXXOKORMFOMONB-QZTJIDSGSA-N 1 3 322.537 3.683 20 0 DHADHO CC1([NH+]2CCCC2)CCN(C2CCC3(CCOCC3)CC2)CC1 ZINC001173049429 1033512625 /nfs/dbraw/zinc/51/26/25/1033512625.db2.gz QXJOWJSBNDLESE-UHFFFAOYSA-N 1 3 320.521 3.676 20 0 DHADHO Clc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000152402807 1033519882 /nfs/dbraw/zinc/51/98/82/1033519882.db2.gz FFUZFBOTUNJQJO-SUMWQHHRSA-N 1 3 320.864 3.628 20 0 DHADHO CCCOC1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC001173094780 1033523108 /nfs/dbraw/zinc/52/31/08/1033523108.db2.gz UMEMEUVGIVPHAC-UHFFFAOYSA-N 1 3 308.510 3.721 20 0 DHADHO CCCOC1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC001173094373 1033524024 /nfs/dbraw/zinc/52/40/24/1033524024.db2.gz WJMXKCLULYTCLO-UHFFFAOYSA-N 1 3 322.537 3.968 20 0 DHADHO CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1OC(F)F ZINC000152452589 1033524609 /nfs/dbraw/zinc/52/46/09/1033524609.db2.gz KFTLBNKEKOAYHL-CZUORRHYSA-N 1 3 324.415 3.813 20 0 DHADHO CC[C@H]1CC[C@@H](N2CCC([NH3+])(c3ccc(OC)cc3)CC2)C1 ZINC001173273952 1033643270 /nfs/dbraw/zinc/64/32/70/1033643270.db2.gz HWJYMQXOXFUMAV-DOTOQJQBSA-N 1 3 302.462 3.524 20 0 DHADHO CCSC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001173291043 1033682732 /nfs/dbraw/zinc/68/27/32/1033682732.db2.gz JRPAGGOIDXQPJB-GDAAHCPNSA-N 1 3 318.530 3.628 20 0 DHADHO CC(C)[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(F)ccc1F ZINC000479362358 1033736973 /nfs/dbraw/zinc/73/69/73/1033736973.db2.gz OTMSGLLSTKHDQZ-UGSOOPFHSA-N 1 3 308.416 3.736 20 0 DHADHO CN1C(C)(C)CC([NH2+]C2Cc3cc(F)c(F)cc3C2)CC1(C)C ZINC001173478764 1033737001 /nfs/dbraw/zinc/73/70/01/1033737001.db2.gz WSQACPMEZRXZKL-UHFFFAOYSA-N 1 3 322.443 3.673 20 0 DHADHO C[NH+]1C(C)(C)CC(NC2Cc3cc(F)c(F)cc3C2)CC1(C)C ZINC001173478764 1033737013 /nfs/dbraw/zinc/73/70/13/1033737013.db2.gz WSQACPMEZRXZKL-UHFFFAOYSA-N 1 3 322.443 3.673 20 0 DHADHO Cc1c(F)nccc1C[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000862284971 1033810307 /nfs/dbraw/zinc/81/03/07/1033810307.db2.gz PCAZJKLEIASMHZ-HNNXBMFYSA-N 1 3 315.436 3.529 20 0 DHADHO C[C@@H](NCCC[NH+](C)C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000479849228 1033927706 /nfs/dbraw/zinc/92/77/06/1033927706.db2.gz HUJAVSXJMLZSST-NEPJUHHUSA-N 1 3 319.276 3.691 20 0 DHADHO [NH3+]CCCCCCN1CCc2cccc(C(F)(F)F)c2C1 ZINC000863558107 1034127031 /nfs/dbraw/zinc/12/70/31/1034127031.db2.gz WCYRYRZCCJGICA-UHFFFAOYSA-N 1 3 300.368 3.583 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000178414967 1034234098 /nfs/dbraw/zinc/23/40/98/1034234098.db2.gz PRXRLNWCUYUIML-QGZVFWFLSA-N 1 3 309.457 3.885 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000178414959 1034235194 /nfs/dbraw/zinc/23/51/94/1034235194.db2.gz PRXRLNWCUYUIML-KRWDZBQOSA-N 1 3 309.457 3.885 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3nc(C)ccc3c2)[C@H](C)C1 ZINC000187360941 1034703875 /nfs/dbraw/zinc/70/38/75/1034703875.db2.gz HBNOOQILGBGXDQ-QRWLVFNGSA-N 1 3 311.473 3.705 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3nc(C)ccc3c2)[C@H](C)C1 ZINC000187360941 1034703891 /nfs/dbraw/zinc/70/38/91/1034703891.db2.gz HBNOOQILGBGXDQ-QRWLVFNGSA-N 1 3 311.473 3.705 20 0 DHADHO Clc1cccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157563360 1034934737 /nfs/dbraw/zinc/93/47/37/1034934737.db2.gz DFSTWUDCDJORPA-ZLGJRNTRSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1cccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157563360 1034934743 /nfs/dbraw/zinc/93/47/43/1034934743.db2.gz DFSTWUDCDJORPA-ZLGJRNTRSA-N 1 3 304.865 3.802 20 0 DHADHO C[C@H](Cc1ccccc1)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000482014527 1035043181 /nfs/dbraw/zinc/04/31/81/1035043181.db2.gz GRUILQNJTONWJE-YLJYHZDGSA-N 1 3 300.490 3.529 20 0 DHADHO C[C@H](Cc1ccccc1)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000482014527 1035043191 /nfs/dbraw/zinc/04/31/91/1035043191.db2.gz GRUILQNJTONWJE-YLJYHZDGSA-N 1 3 300.490 3.529 20 0 DHADHO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000484473810 1035343626 /nfs/dbraw/zinc/34/36/26/1035343626.db2.gz ZIVKMHNKGMAUJT-CGTJXYLNSA-N 1 3 304.478 3.997 20 0 DHADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001206303621 1035369520 /nfs/dbraw/zinc/36/95/20/1035369520.db2.gz DZYAIUHNOBILBH-HNNXBMFYSA-N 1 3 318.358 3.795 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)CN1CCCCC1 ZINC001177416593 1035369632 /nfs/dbraw/zinc/36/96/32/1035369632.db2.gz TUZCKWHBWPCIPU-YZGWKJHDSA-N 1 3 322.537 3.683 20 0 DHADHO CCO[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC001177581213 1035381879 /nfs/dbraw/zinc/38/18/79/1035381879.db2.gz KLJVLMPCLIAVAV-PMACEKPBSA-N 1 3 322.537 3.968 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2cccc3c2CCC3)c1 ZINC001177737906 1035390573 /nfs/dbraw/zinc/39/05/73/1035390573.db2.gz ZEJGSQUCGMAXNP-UHFFFAOYSA-N 1 3 308.469 3.917 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2cccc3c2CCC3)c1 ZINC001177737906 1035390576 /nfs/dbraw/zinc/39/05/76/1035390576.db2.gz ZEJGSQUCGMAXNP-UHFFFAOYSA-N 1 3 308.469 3.917 20 0 DHADHO Fc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1C(F)F ZINC000904299539 1035397192 /nfs/dbraw/zinc/39/71/92/1035397192.db2.gz HDSYWHBETVFABL-INIZCTEOSA-N 1 3 312.379 3.727 20 0 DHADHO COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000195133328 1035414693 /nfs/dbraw/zinc/41/46/93/1035414693.db2.gz KARVXEXJAQGFDI-IEBWSBKVSA-N 1 3 324.468 3.868 20 0 DHADHO C[C@@H](Cc1cccc(F)c1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001168465829 1035556469 /nfs/dbraw/zinc/55/64/69/1035556469.db2.gz XYHBYSIJCWAXFT-HNNXBMFYSA-N 1 3 304.453 3.753 20 0 DHADHO Cc1ncsc1CCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC001193252698 1035595849 /nfs/dbraw/zinc/59/58/49/1035595849.db2.gz ZSBZWDLZSRSEOA-HOCLYGCPSA-N 1 3 321.534 3.627 20 0 DHADHO CO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000494517266 1035603640 /nfs/dbraw/zinc/60/36/40/1035603640.db2.gz ZAFQZUZFOUXDIV-GDAAHCPNSA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@@H]1CCCC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000494517266 1035603646 /nfs/dbraw/zinc/60/36/46/1035603646.db2.gz ZAFQZUZFOUXDIV-GDAAHCPNSA-N 1 3 308.510 3.577 20 0 DHADHO Cc1c([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)cnn1C(C)(C)C ZINC000191293525 1035678297 /nfs/dbraw/zinc/67/82/97/1035678297.db2.gz HEXZAJCQGUQCMZ-RHSMWYFYSA-N 1 3 322.541 3.964 20 0 DHADHO Cc1c([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)cnn1C(C)(C)C ZINC000191500070 1035693931 /nfs/dbraw/zinc/69/39/31/1035693931.db2.gz PVXAZCPLOZZHJX-HNNXBMFYSA-N 1 3 320.525 3.719 20 0 DHADHO COc1ccc([C@H]([NH2+]CC[C@@H]2CCCCN2C)C2CC2)cc1 ZINC000539494044 1035746725 /nfs/dbraw/zinc/74/67/25/1035746725.db2.gz VYULHQQATHCGJL-PKOBYXMFSA-N 1 3 302.462 3.610 20 0 DHADHO COc1ccc([C@H](NCC[C@@H]2CCCC[N@@H+]2C)C2CC2)cc1 ZINC000539494044 1035746739 /nfs/dbraw/zinc/74/67/39/1035746739.db2.gz VYULHQQATHCGJL-PKOBYXMFSA-N 1 3 302.462 3.610 20 0 DHADHO COc1ccc([C@H](NCC[C@@H]2CCCC[N@H+]2C)C2CC2)cc1 ZINC000539494044 1035746756 /nfs/dbraw/zinc/74/67/56/1035746756.db2.gz VYULHQQATHCGJL-PKOBYXMFSA-N 1 3 302.462 3.610 20 0 DHADHO Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]CCCN2CCCCC2)cc1 ZINC000192023096 1035747895 /nfs/dbraw/zinc/74/78/95/1035747895.db2.gz BGYHLFBKFPCPHK-ROUUACIJSA-N 1 3 322.880 3.636 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192617948 1035804590 /nfs/dbraw/zinc/80/45/90/1035804590.db2.gz KBVFDZJTVVMAMO-IBGZPJMESA-N 1 3 301.478 3.645 20 0 DHADHO C[C@@H](CC[NH2+]C1CC(OCc2ccccc2)C1)N1CCCCC1 ZINC000494749500 1035860148 /nfs/dbraw/zinc/86/01/48/1035860148.db2.gz QEPCVQXBSUFDNG-KKXNLOMOSA-N 1 3 316.489 3.588 20 0 DHADHO C[C@H](Cc1ccccc1Cl)[NH2+]CC(C)(C)CN1CCCC1 ZINC001181428120 1035909297 /nfs/dbraw/zinc/90/92/97/1035909297.db2.gz RXNWHYZQKVUAJH-OAHLLOKOSA-N 1 3 308.897 3.983 20 0 DHADHO CSc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000659843064 1035946646 /nfs/dbraw/zinc/94/66/46/1035946646.db2.gz JFZUUVFJTHZEEV-UHFFFAOYSA-N 1 3 304.503 3.716 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCOc1ccccc1C(C)(C)C ZINC000540177625 1036001139 /nfs/dbraw/zinc/00/11/39/1036001139.db2.gz PXNXMEGBWBFZTF-JFIYKMOQSA-N 1 3 318.505 3.681 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCOc1ccccc1C(C)(C)C ZINC000540177625 1036001149 /nfs/dbraw/zinc/00/11/49/1036001149.db2.gz PXNXMEGBWBFZTF-JFIYKMOQSA-N 1 3 318.505 3.681 20 0 DHADHO Clc1cccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000250105479 1036247293 /nfs/dbraw/zinc/24/72/93/1036247293.db2.gz DFSTWUDCDJORPA-CCRGXQTGSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1cccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000250105479 1036247301 /nfs/dbraw/zinc/24/73/01/1036247301.db2.gz DFSTWUDCDJORPA-CCRGXQTGSA-N 1 3 304.865 3.802 20 0 DHADHO C[C@H]([NH2+]CCCc1ccsc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000541603139 1036385112 /nfs/dbraw/zinc/38/51/12/1036385112.db2.gz NRNQSERGGMKCOJ-DOTOQJQBSA-N 1 3 306.519 3.923 20 0 DHADHO Clc1cccc2c1CCC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000541744885 1036412355 /nfs/dbraw/zinc/41/23/55/1036412355.db2.gz QPQOIJDJXKXABA-ACJLOTCBSA-N 1 3 304.865 3.791 20 0 DHADHO Clc1cccc2c1CCC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000541744885 1036412366 /nfs/dbraw/zinc/41/23/66/1036412366.db2.gz QPQOIJDJXKXABA-ACJLOTCBSA-N 1 3 304.865 3.791 20 0 DHADHO COc1ccc(CN2CCCC[C@H]2[C@H](C)C[NH+](C)C)c(C)c1 ZINC001183064998 1036516279 /nfs/dbraw/zinc/51/62/79/1036516279.db2.gz CEHFLEPDHTZJDN-APWZRJJASA-N 1 3 304.478 3.556 20 0 DHADHO CCC1([NH+](C)C)CCN(CC2([C@H]3CCCCO3)CCC2)CC1 ZINC001196683627 1036587722 /nfs/dbraw/zinc/58/77/22/1036587722.db2.gz GWCWUMXCVBWVLI-QGZVFWFLSA-N 1 3 308.510 3.532 20 0 DHADHO C/C(=C/c1cccc(C(F)(F)F)c1)CNC[C@H](C)C[NH+](C)C ZINC000491545457 1036601678 /nfs/dbraw/zinc/60/16/78/1036601678.db2.gz LEEQVRCJCARQKK-MQJVFOOVSA-N 1 3 314.395 3.896 20 0 DHADHO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](C)CN(C)C ZINC000491545457 1036601684 /nfs/dbraw/zinc/60/16/84/1036601684.db2.gz LEEQVRCJCARQKK-MQJVFOOVSA-N 1 3 314.395 3.896 20 0 DHADHO C[NH+](C)CC1CCN(Cc2ccccc2CC(F)(F)F)CC1 ZINC000637908162 1036629055 /nfs/dbraw/zinc/62/90/55/1036629055.db2.gz ZCTRHJBMRGXHCX-UHFFFAOYSA-N 1 3 314.395 3.565 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC/C=C\c1ccncc1 ZINC000487308219 1036650029 /nfs/dbraw/zinc/65/00/29/1036650029.db2.gz LAMBBPARSKLPKS-CDKMSYNUSA-N 1 3 321.468 3.595 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC/C=C\c1ccncc1 ZINC000487308219 1036650040 /nfs/dbraw/zinc/65/00/40/1036650040.db2.gz LAMBBPARSKLPKS-CDKMSYNUSA-N 1 3 321.468 3.595 20 0 DHADHO C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000495660049 1036811396 /nfs/dbraw/zinc/81/13/96/1036811396.db2.gz ZYPAQHRHSWUESD-MRXNPFEDSA-N 1 3 312.432 3.925 20 0 DHADHO C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000495660049 1036811414 /nfs/dbraw/zinc/81/14/14/1036811414.db2.gz ZYPAQHRHSWUESD-MRXNPFEDSA-N 1 3 312.432 3.925 20 0 DHADHO CCC1(N2CCC2)CC[NH+](C[C@H](OC)C2CCCCC2)CC1 ZINC001197891885 1036898034 /nfs/dbraw/zinc/89/80/34/1036898034.db2.gz RBOUQEILJOZHSG-SFHVURJKSA-N 1 3 308.510 3.532 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cc3ccc(F)cc3[nH]2)C[C@@H]1C ZINC000488304583 1036957635 /nfs/dbraw/zinc/95/76/35/1036957635.db2.gz WQYMFWHAXUADHG-GUYCJALGSA-N 1 3 303.425 3.612 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)C[C@@H]1C ZINC000488304583 1036957641 /nfs/dbraw/zinc/95/76/41/1036957641.db2.gz WQYMFWHAXUADHG-GUYCJALGSA-N 1 3 303.425 3.612 20 0 DHADHO COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000237247707 1037001191 /nfs/dbraw/zinc/00/11/91/1037001191.db2.gz VPFREAGWHSQUKK-QZTJIDSGSA-N 1 3 318.505 3.728 20 0 DHADHO C[C@H](C[NH2+]C1CC(c2ccc(F)cc2)C1)CN1CCCCC1 ZINC000237514915 1037016038 /nfs/dbraw/zinc/01/60/38/1037016038.db2.gz RNLCSNVGTYVMLJ-LSJNQWAISA-N 1 3 304.453 3.783 20 0 DHADHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000309715504 1037172958 /nfs/dbraw/zinc/17/29/58/1037172958.db2.gz LPMOEBLOYZBESF-WIYYLYMNSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000309715504 1037172969 /nfs/dbraw/zinc/17/29/69/1037172969.db2.gz LPMOEBLOYZBESF-WIYYLYMNSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000309715504 1037172991 /nfs/dbraw/zinc/17/29/91/1037172991.db2.gz LPMOEBLOYZBESF-WIYYLYMNSA-N 1 3 308.469 3.995 20 0 DHADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)[C@@H]1C ZINC000309761540 1037179455 /nfs/dbraw/zinc/17/94/55/1037179455.db2.gz DTMMDIWOVIJOEQ-LFGUQSLTSA-N 1 3 300.490 3.923 20 0 DHADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000309949321 1037194465 /nfs/dbraw/zinc/19/44/65/1037194465.db2.gz FIAPBCZYMWFPDJ-RTBURBONSA-N 1 3 318.530 3.774 20 0 DHADHO Cc1cc(CNCc2cccc(C[NH+](C)C)c2)ccc1Cl ZINC001199218293 1037216893 /nfs/dbraw/zinc/21/68/93/1037216893.db2.gz FQFMLNPRZCHIDM-UHFFFAOYSA-N 1 3 302.849 4.000 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccsc1 ZINC000178620456 1037330602 /nfs/dbraw/zinc/33/06/02/1037330602.db2.gz BITCCINBMOWPIM-FUHWJXTLSA-N 1 3 314.498 3.963 20 0 DHADHO CCN1CC[C@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000194059011 1037354982 /nfs/dbraw/zinc/35/49/82/1037354982.db2.gz OJICFAUTFHDJCT-GOSISDBHSA-N 1 3 308.469 3.750 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(F)c1 ZINC000397999094 1037576888 /nfs/dbraw/zinc/57/68/88/1037576888.db2.gz DHMRIXGQCBFADQ-OXQOHEQNSA-N 1 3 312.432 3.826 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(F)c1 ZINC000397999094 1037576906 /nfs/dbraw/zinc/57/69/06/1037576906.db2.gz DHMRIXGQCBFADQ-OXQOHEQNSA-N 1 3 312.432 3.826 20 0 DHADHO Clc1cccc(C2CC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000036997026 1037664621 /nfs/dbraw/zinc/66/46/21/1037664621.db2.gz CQJAQUFBTIWPON-DQVOVIAYSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1cccc(C2CC(N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000036997026 1037664630 /nfs/dbraw/zinc/66/46/30/1037664630.db2.gz CQJAQUFBTIWPON-DQVOVIAYSA-N 1 3 304.865 3.802 20 0 DHADHO CCCCN1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001201707133 1037848443 /nfs/dbraw/zinc/84/84/43/1037848443.db2.gz WHRKETTXROPHJF-UHFFFAOYSA-N 1 3 305.466 3.522 20 0 DHADHO CCCCN1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001201707133 1037848462 /nfs/dbraw/zinc/84/84/62/1037848462.db2.gz WHRKETTXROPHJF-UHFFFAOYSA-N 1 3 305.466 3.522 20 0 DHADHO CCN1CC[C@H](C[NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000124155369 1037884161 /nfs/dbraw/zinc/88/41/61/1037884161.db2.gz IJTOFLGEFCEYKN-OAQYLSRUSA-N 1 3 322.496 3.772 20 0 DHADHO COc1ccccc1C[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000125041065 1037916837 /nfs/dbraw/zinc/91/68/37/1037916837.db2.gz AURHEWJNUPZHBF-LJQANCHMSA-N 1 3 316.489 3.578 20 0 DHADHO CC1(C)CCC(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629563398 1037943009 /nfs/dbraw/zinc/94/30/09/1037943009.db2.gz PLXFDZMGSMVBIG-KGLIPLIRSA-N 1 3 306.416 3.662 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2sc(C)nc2C)c1 ZINC000076868855 1038168747 /nfs/dbraw/zinc/16/87/47/1038168747.db2.gz BUBMEOQAXWLHSQ-UHFFFAOYSA-N 1 3 303.475 3.501 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2sc(C)nc2C)c1 ZINC000076868855 1038168757 /nfs/dbraw/zinc/16/87/57/1038168757.db2.gz BUBMEOQAXWLHSQ-UHFFFAOYSA-N 1 3 303.475 3.501 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000571567413 1038170512 /nfs/dbraw/zinc/17/05/12/1038170512.db2.gz JXPFEXVTLKJURA-MUYFXNHWSA-N 1 3 316.489 3.738 20 0 DHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC000572205354 1038350977 /nfs/dbraw/zinc/35/09/77/1038350977.db2.gz FDZUUCJCROIIRQ-ZACQAIPSSA-N 1 3 304.478 3.507 20 0 DHADHO C[C@@H]1CCN(Cc2c(Cl)cccc2Cl)CC[C@@H]1C[NH3+] ZINC001205602254 1038672006 /nfs/dbraw/zinc/67/20/06/1038672006.db2.gz IAWVFIFUBJASNT-VXGBXAGGSA-N 1 3 301.261 3.800 20 0 DHADHO Cc1cc(N2CCC[N@@H+](C3CCCC3)CC2)c2ccccc2n1 ZINC000606156565 1039789456 /nfs/dbraw/zinc/78/94/56/1039789456.db2.gz CABCVBQWZZEKPP-UHFFFAOYSA-N 1 3 309.457 3.998 20 0 DHADHO Cc1cc(N2CCC[N@H+](C3CCCC3)CC2)c2ccccc2n1 ZINC000606156565 1039789476 /nfs/dbraw/zinc/78/94/76/1039789476.db2.gz CABCVBQWZZEKPP-UHFFFAOYSA-N 1 3 309.457 3.998 20 0 DHADHO CN(c1ccccc1)c1ccc(CNC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000594785973 1039904790 /nfs/dbraw/zinc/90/47/90/1039904790.db2.gz ADNCOLAQCSHUGC-IBGZPJMESA-N 1 3 323.484 3.886 20 0 DHADHO CN(c1ccccc1)c1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000594785973 1039904804 /nfs/dbraw/zinc/90/48/04/1039904804.db2.gz ADNCOLAQCSHUGC-IBGZPJMESA-N 1 3 323.484 3.886 20 0 DHADHO CSCC1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000596094290 1040306096 /nfs/dbraw/zinc/30/60/96/1040306096.db2.gz JOTTXLORRYUVKM-LXPRWKDFSA-N 1 3 310.551 3.620 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(C)ccc1OC ZINC000093397060 193243603 /nfs/dbraw/zinc/24/36/03/193243603.db2.gz ITEXAFWVUJTAAO-YJBOKZPZSA-N 1 3 302.462 3.529 20 0 DHADHO C[C@H](NCC1CC[NH+](Cc2cccs2)CC1)c1nccs1 ZINC000093403533 193244747 /nfs/dbraw/zinc/24/47/47/193244747.db2.gz IDNBARLXIGUZTP-ZDUSSCGKSA-N 1 3 321.515 3.767 20 0 DHADHO Clc1ccc2c(ccn2CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000287532282 131284903 /nfs/dbraw/zinc/28/49/03/131284903.db2.gz PAAMKYPTSZEBDS-DLBZAZTESA-N 1 3 317.864 3.511 20 0 DHADHO Clc1ccc2c(ccn2CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000287532282 131284905 /nfs/dbraw/zinc/28/49/05/131284905.db2.gz PAAMKYPTSZEBDS-DLBZAZTESA-N 1 3 317.864 3.511 20 0 DHADHO c1cc2c(s1)CCC[C@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297761910 132032108 /nfs/dbraw/zinc/03/21/08/132032108.db2.gz UYKKEJCLPOSPSD-QGZVFWFLSA-N 1 3 313.470 3.779 20 0 DHADHO CC[C@H](c1ccc(Br)cc1)N1CCC(C[NH3+])CC1 ZINC000044511857 132159706 /nfs/dbraw/zinc/15/97/06/132159706.db2.gz OWKKNHHNIRPMED-OAHLLOKOSA-N 1 3 311.267 3.571 20 0 DHADHO CC[C@H](NCCOCC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000219307824 331468537 /nfs/dbraw/zinc/46/85/37/331468537.db2.gz CBMSZBZDPAZUML-HNNXBMFYSA-N 1 3 319.276 3.612 20 0 DHADHO COc1cccc(C2(C[NH2+]C3CCN(C(C)(C)C)CC3)CC2)c1 ZINC000569533858 332127611 /nfs/dbraw/zinc/12/76/11/332127611.db2.gz DLVCRHFZBLLMMO-UHFFFAOYSA-N 1 3 316.489 3.579 20 0 DHADHO COc1cccc(C2(CNC3CC[NH+](C(C)(C)C)CC3)CC2)c1 ZINC000569533858 332127612 /nfs/dbraw/zinc/12/76/12/332127612.db2.gz DLVCRHFZBLLMMO-UHFFFAOYSA-N 1 3 316.489 3.579 20 0 DHADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000426048852 335095490 /nfs/dbraw/zinc/09/54/90/335095490.db2.gz JPOQIGKLUVMUPC-WBVHZDCISA-N 1 3 318.461 3.749 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1 ZINC000560245150 332322866 /nfs/dbraw/zinc/32/28/66/332322866.db2.gz HMGNSQYBRXCQSS-NZSAHSFTSA-N 1 3 316.489 3.554 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1 ZINC000560245150 332322867 /nfs/dbraw/zinc/32/28/67/332322867.db2.gz HMGNSQYBRXCQSS-NZSAHSFTSA-N 1 3 316.489 3.554 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1 ZINC000560245150 332322870 /nfs/dbraw/zinc/32/28/70/332322870.db2.gz HMGNSQYBRXCQSS-NZSAHSFTSA-N 1 3 316.489 3.554 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Oc1ccccc1C ZINC000560544554 332356277 /nfs/dbraw/zinc/35/62/77/332356277.db2.gz QCOSUAVNYVVGAP-HCXYKTFWSA-N 1 3 316.489 3.615 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Oc1ccccc1C ZINC000560544554 332356278 /nfs/dbraw/zinc/35/62/78/332356278.db2.gz QCOSUAVNYVVGAP-HCXYKTFWSA-N 1 3 316.489 3.615 20 0 DHADHO CC[C@H](NCc1ccc(C[NH3+])cc1)c1ccccc1OC(F)F ZINC000570045564 332706292 /nfs/dbraw/zinc/70/62/92/332706292.db2.gz GMIWLUHUPCZLML-INIZCTEOSA-N 1 3 320.383 3.988 20 0 DHADHO Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000580312388 333097824 /nfs/dbraw/zinc/09/78/24/333097824.db2.gz LWUWJPVHOJSZLJ-GFCCVEGCSA-N 1 3 303.475 3.884 20 0 DHADHO FC(F)(F)c1cccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000521436484 333384921 /nfs/dbraw/zinc/38/49/21/333384921.db2.gz YOMAFRMNULPFSG-HNNXBMFYSA-N 1 3 312.379 3.527 20 0 DHADHO FC(F)(F)c1ccccc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000563135600 333395643 /nfs/dbraw/zinc/39/56/43/333395643.db2.gz RKQFQBQJYSGNDY-CQSZACIVSA-N 1 3 312.379 3.527 20 0 DHADHO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000531699904 333547321 /nfs/dbraw/zinc/54/73/21/333547321.db2.gz RNYFYXJLJSIQQJ-QGZVFWFLSA-N 1 3 304.478 3.852 20 0 DHADHO C[NH2+]C[C@@H]1CCCN(C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414659204 334059034 /nfs/dbraw/zinc/05/90/34/334059034.db2.gz SIXNWWYQCXDYBA-KBPBESRZSA-N 1 3 314.395 3.740 20 0 DHADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000274306333 334059272 /nfs/dbraw/zinc/05/92/72/334059272.db2.gz SDKPKYVXUMMFCL-OAHLLOKOSA-N 1 3 302.462 3.776 20 0 DHADHO C[NH2+]CC1CCN(Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000414677698 334066931 /nfs/dbraw/zinc/06/69/31/334066931.db2.gz VCMJZRAGXOGVSG-UHFFFAOYSA-N 1 3 324.468 3.794 20 0 DHADHO C[C@@H]1C[C@H](CN2CCSC[C@@H]2c2ccc(Cl)cc2)CC[NH2+]1 ZINC000414710312 334072590 /nfs/dbraw/zinc/07/25/90/334072590.db2.gz RUXVHNKCJYULNI-CKEIUWERSA-N 1 3 324.921 3.818 20 0 DHADHO C[C@@H]1CCCC[C@@H]1CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000414720463 334074173 /nfs/dbraw/zinc/07/41/73/334074173.db2.gz YQTTXRFCKSTISI-QWFCFKBJSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@@H]1CCCC[C@H]1CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000414720464 334074276 /nfs/dbraw/zinc/07/42/76/334074276.db2.gz YQTTXRFCKSTISI-WSTZPKSXSA-N 1 3 315.505 3.852 20 0 DHADHO c1nc(C2CCCC2)sc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772920 334090459 /nfs/dbraw/zinc/09/04/59/334090459.db2.gz CSOKQHPIGYYVRW-JKSUJKDBSA-N 1 3 319.518 3.622 20 0 DHADHO c1ccc(CCC(CCc2ccccc2)[NH2+]C2CCNCC2)cc1 ZINC000414785368 334095085 /nfs/dbraw/zinc/09/50/85/334095085.db2.gz VGBQMQPIUKOUOT-UHFFFAOYSA-N 1 3 322.496 3.962 20 0 DHADHO C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+]C1CCNCC1 ZINC000414787577 334096479 /nfs/dbraw/zinc/09/64/79/334096479.db2.gz ZEUVXQXGIPUEMN-DAXSKMNVSA-N 1 3 322.452 3.620 20 0 DHADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414802027 334103259 /nfs/dbraw/zinc/10/32/59/334103259.db2.gz AYCCKDLJRUINDO-HNNXBMFYSA-N 1 3 319.493 3.634 20 0 DHADHO Cc1nn(C(C)(C)C)c(C)c1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414812137 334106117 /nfs/dbraw/zinc/10/61/17/334106117.db2.gz QXKRBTOEDULLIW-CYBMUJFWSA-N 1 3 314.477 3.564 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(OCC3CC3)cc2)cc1 ZINC000414817286 334106914 /nfs/dbraw/zinc/10/69/14/334106914.db2.gz RWVHKVXPZUJAMP-OAHLLOKOSA-N 1 3 310.441 3.785 20 0 DHADHO C[C@@H]([NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H]1CCCNC1 ZINC000414824153 334108695 /nfs/dbraw/zinc/10/86/95/334108695.db2.gz QDAKHWIVSFGIIF-NFAWXSAZSA-N 1 3 314.395 3.787 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCCNC2)cc1 ZINC000414827959 334109797 /nfs/dbraw/zinc/10/97/97/334109797.db2.gz LHTFXPBACVISNX-FFZOFVMBSA-N 1 3 316.489 3.699 20 0 DHADHO FC(F)(F)c1ccc(Cl)c(CNCC[C@@H]2CCC[NH2+]C2)c1 ZINC000414844382 334114222 /nfs/dbraw/zinc/11/42/22/334114222.db2.gz DPTRIDFQHPOQIQ-NSHDSACASA-N 1 3 320.786 3.838 20 0 DHADHO Fc1ccccc1-c1ccc(CNCC[C@H]2CCC[NH2+]C2)o1 ZINC000414847775 334120236 /nfs/dbraw/zinc/12/02/36/334120236.db2.gz JODBOJYEXXTIAK-CQSZACIVSA-N 1 3 302.393 3.565 20 0 DHADHO [NH3+][C@H](CN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000414894554 334159457 /nfs/dbraw/zinc/15/94/57/334159457.db2.gz TTYIGQCXMNSPIE-ARFHVFGLSA-N 1 3 312.379 3.668 20 0 DHADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414906140 334169402 /nfs/dbraw/zinc/16/94/02/334169402.db2.gz MBJVGUVHSKWFBN-SWLSCSKDSA-N 1 3 300.899 3.702 20 0 DHADHO C[C@@H](C[NH2+][C@@H]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414915747 334177401 /nfs/dbraw/zinc/17/74/01/334177401.db2.gz NAZCIQTUYSJLBA-SWLSCSKDSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@@H](CN[C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414915747 334177402 /nfs/dbraw/zinc/17/74/02/334177402.db2.gz NAZCIQTUYSJLBA-SWLSCSKDSA-N 1 3 300.368 3.541 20 0 DHADHO C[N@H+]1CC=C(CN[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000366695439 334191869 /nfs/dbraw/zinc/19/18/69/334191869.db2.gz MKNCWOLKLRQVGU-SFHVURJKSA-N 1 3 312.457 3.675 20 0 DHADHO C[N@@H+]1CC=C(CN[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000366695439 334191871 /nfs/dbraw/zinc/19/18/71/334191871.db2.gz MKNCWOLKLRQVGU-SFHVURJKSA-N 1 3 312.457 3.675 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000414933314 334196426 /nfs/dbraw/zinc/19/64/26/334196426.db2.gz DPOYVTBEVXPOSA-NMLACTOBSA-N 1 3 316.489 3.698 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCN[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414952166 334207165 /nfs/dbraw/zinc/20/71/65/334207165.db2.gz QPCTVYJUJKLSDS-LALPHHSUSA-N 1 3 300.368 3.539 20 0 DHADHO C[C@H](CN[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414952166 334207166 /nfs/dbraw/zinc/20/71/66/334207166.db2.gz QPCTVYJUJKLSDS-LALPHHSUSA-N 1 3 300.368 3.539 20 0 DHADHO COc1cc(Cl)c(CNCCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000414975959 334222513 /nfs/dbraw/zinc/22/25/13/334222513.db2.gz PBEADCSTYCIDQP-GFCCVEGCSA-N 1 3 317.260 3.624 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](CNCc2ccc(F)c(Cl)c2Cl)C1 ZINC000415000389 334239655 /nfs/dbraw/zinc/23/96/55/334239655.db2.gz KFFHWWBRYDAMGM-MWLCHTKSSA-N 1 3 305.224 3.740 20 0 DHADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415049578 334259017 /nfs/dbraw/zinc/25/90/17/334259017.db2.gz DLYJRJAEJUKZOK-DVOMOZLQSA-N 1 3 314.395 3.553 20 0 DHADHO c1ccc(-c2cccc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)nc1 ZINC000415033825 334260275 /nfs/dbraw/zinc/26/02/75/334260275.db2.gz CCGFTSDVNZLTJN-CTNGQTDRSA-N 1 3 321.468 3.713 20 0 DHADHO c1sc2ccccc2c1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415038512 334260770 /nfs/dbraw/zinc/26/07/70/334260770.db2.gz HWGWHJKRRAZSMD-PBHICJAKSA-N 1 3 300.471 3.865 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000415079122 334270361 /nfs/dbraw/zinc/27/03/61/334270361.db2.gz HPPHABUPQDAUJC-CEXWTWQISA-N 1 3 300.490 3.766 20 0 DHADHO CCCC[C@H](CC)[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000415126925 334283765 /nfs/dbraw/zinc/28/37/65/334283765.db2.gz HIFLRTLHFOKKBM-IBGZPJMESA-N 1 3 317.521 3.538 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000514096170 334332230 /nfs/dbraw/zinc/33/22/30/334332230.db2.gz URHKFNCQTQZNCK-BVGQSLNGSA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000514096170 334332231 /nfs/dbraw/zinc/33/22/31/334332231.db2.gz URHKFNCQTQZNCK-BVGQSLNGSA-N 1 3 308.416 3.502 20 0 DHADHO COc1ccc([C@H](C)NCC[N@@H+]2CC[C@H](C)C2)c2ccccc12 ZINC000531984230 334359193 /nfs/dbraw/zinc/35/91/93/334359193.db2.gz PIPHDVCYUGROGZ-HOTGVXAUSA-N 1 3 312.457 3.841 20 0 DHADHO COc1ccc([C@H](C)NCC[N@H+]2CC[C@H](C)C2)c2ccccc12 ZINC000531984230 334359195 /nfs/dbraw/zinc/35/91/95/334359195.db2.gz PIPHDVCYUGROGZ-HOTGVXAUSA-N 1 3 312.457 3.841 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(CN(C)C)c2)C12CCCC2 ZINC000344106430 335223676 /nfs/dbraw/zinc/22/36/76/335223676.db2.gz JXNLZZHWZDDNRZ-RBUKOAKNSA-N 1 3 316.489 3.576 20 0 DHADHO Fc1ccc(C2CC(NC3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000366878419 335275649 /nfs/dbraw/zinc/27/56/49/335275649.db2.gz JNZLNHFDJFADTB-UHFFFAOYSA-N 1 3 302.437 3.678 20 0 DHADHO CC1CCC(OC2CC[NH+](CCCN3CCCC3)CC2)CC1 ZINC000366902672 335332119 /nfs/dbraw/zinc/33/21/19/335332119.db2.gz KBIMQBLVBBNVKX-UHFFFAOYSA-N 1 3 308.510 3.532 20 0 DHADHO Cc1nccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c1Cl ZINC000350285694 335742583 /nfs/dbraw/zinc/74/25/83/335742583.db2.gz HFSNIUOKUHACOD-AWEZNQCLSA-N 1 3 321.877 3.776 20 0 DHADHO CCc1ccc(C[NH2+]CC[C@H](C)N(C)Cc2ccccc2)cn1 ZINC000352759599 336235402 /nfs/dbraw/zinc/23/54/02/336235402.db2.gz KLXIFJXUTHDMGA-KRWDZBQOSA-N 1 3 311.473 3.644 20 0 DHADHO Cc1ccsc1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192933875 336285125 /nfs/dbraw/zinc/28/51/25/336285125.db2.gz JWYLBVQEHSVDOP-KRWDZBQOSA-N 1 3 300.471 3.668 20 0 DHADHO Cc1ccsc1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192933875 336285126 /nfs/dbraw/zinc/28/51/26/336285126.db2.gz JWYLBVQEHSVDOP-KRWDZBQOSA-N 1 3 300.471 3.668 20 0 DHADHO c1nc(C2CCCC2)sc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357060317 336572262 /nfs/dbraw/zinc/57/22/62/336572262.db2.gz YIHOFCBJJWDZDU-MRXNPFEDSA-N 1 3 319.518 3.622 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C)cc1 ZINC000358049347 336608586 /nfs/dbraw/zinc/60/85/86/336608586.db2.gz RELZGRLFYXYFCS-GGPKGHCWSA-N 1 3 318.505 3.925 20 0 DHADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)COC2 ZINC000359641875 336681517 /nfs/dbraw/zinc/68/15/17/336681517.db2.gz YYUBUIIYKLQEMD-OAHLLOKOSA-N 1 3 310.441 3.629 20 0 DHADHO C(CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)CC1CCOCC1 ZINC000375598672 337014143 /nfs/dbraw/zinc/01/41/43/337014143.db2.gz QLQYCQHMCQHKGP-QUCCMNQESA-N 1 3 320.521 3.532 20 0 DHADHO C(CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)CC1CCOCC1 ZINC000375598672 337014144 /nfs/dbraw/zinc/01/41/44/337014144.db2.gz QLQYCQHMCQHKGP-QUCCMNQESA-N 1 3 320.521 3.532 20 0 DHADHO C(CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)CC1CCOCC1 ZINC000375598671 337014208 /nfs/dbraw/zinc/01/42/08/337014208.db2.gz QLQYCQHMCQHKGP-ICSRJNTNSA-N 1 3 320.521 3.532 20 0 DHADHO C(CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)CC1CCOCC1 ZINC000375598671 337014209 /nfs/dbraw/zinc/01/42/09/337014209.db2.gz QLQYCQHMCQHKGP-ICSRJNTNSA-N 1 3 320.521 3.532 20 0 DHADHO Cc1cccc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)n1 ZINC000375854245 337021537 /nfs/dbraw/zinc/02/15/37/337021537.db2.gz SNIIPBFZHQLLLX-UHFFFAOYSA-N 1 3 315.505 3.709 20 0 DHADHO Cc1cccc(CCCNC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000375854245 337021538 /nfs/dbraw/zinc/02/15/38/337021538.db2.gz SNIIPBFZHQLLLX-UHFFFAOYSA-N 1 3 315.505 3.709 20 0 DHADHO CN(C)[C@H]1CCC[N@H+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000376099241 337026968 /nfs/dbraw/zinc/02/69/68/337026968.db2.gz SCKAZDOZRIUSJK-NRXISQOPSA-N 1 3 306.416 3.771 20 0 DHADHO CN(C)[C@H]1CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000376099241 337026969 /nfs/dbraw/zinc/02/69/69/337026969.db2.gz SCKAZDOZRIUSJK-NRXISQOPSA-N 1 3 306.416 3.771 20 0 DHADHO COc1cc([C@@H](C)N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1F ZINC000377893508 337063508 /nfs/dbraw/zinc/06/35/08/337063508.db2.gz JYJMIQWGPYHWGN-PBHICJAKSA-N 1 3 320.452 3.559 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)CC3 ZINC000378491748 337074282 /nfs/dbraw/zinc/07/42/82/337074282.db2.gz GOSBESUDNYHHBW-ZACQAIPSSA-N 1 3 323.484 3.550 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC3 ZINC000378491748 337074283 /nfs/dbraw/zinc/07/42/83/337074283.db2.gz GOSBESUDNYHHBW-ZACQAIPSSA-N 1 3 323.484 3.550 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)CC3 ZINC000378491748 337074284 /nfs/dbraw/zinc/07/42/84/337074284.db2.gz GOSBESUDNYHHBW-ZACQAIPSSA-N 1 3 323.484 3.550 20 0 DHADHO C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)c1sccc1Br ZINC000514667425 337147661 /nfs/dbraw/zinc/14/76/61/337147661.db2.gz KJTLRYMOMHWXQQ-AXFHLTTASA-N 1 3 317.296 3.679 20 0 DHADHO C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)c1sccc1Br ZINC000514667426 337147668 /nfs/dbraw/zinc/14/76/68/337147668.db2.gz KJTLRYMOMHWXQQ-DCAQKATOSA-N 1 3 317.296 3.679 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000178035067 337160013 /nfs/dbraw/zinc/16/00/13/337160013.db2.gz CPJZEYGUAQNCEK-SCTDSRPQSA-N 1 3 304.478 3.617 20 0 DHADHO c1cn(CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc12 ZINC000321024687 337176003 /nfs/dbraw/zinc/17/60/03/337176003.db2.gz VNRQSODWNLNUPJ-OTWHNJEPSA-N 1 3 311.473 3.542 20 0 DHADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(-c2ccncc2)cc1 ZINC000180935072 337178719 /nfs/dbraw/zinc/17/87/19/337178719.db2.gz OJZVFAUZVPLRGG-OXQOHEQNSA-N 1 3 309.457 3.884 20 0 DHADHO CC[NH+]1CCC(CCN[C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182099799 337184355 /nfs/dbraw/zinc/18/43/55/337184355.db2.gz BXTZPELIPPMFTD-SFHVURJKSA-N 1 3 320.452 3.751 20 0 DHADHO CCO[C@@H](CC[NH+](C)C)CNC1c2ccccc2-c2ccccc21 ZINC000183863495 337195100 /nfs/dbraw/zinc/19/51/00/337195100.db2.gz QRDQCEURIUHVPX-INIZCTEOSA-N 1 3 324.468 3.703 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2cccnc2C)CC1)CC(C)C ZINC000583111374 337238323 /nfs/dbraw/zinc/23/83/23/337238323.db2.gz UPOTWZIYZLDKFQ-UHFFFAOYSA-N 1 3 317.521 3.970 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2cccnc2C)CC1)CC(C)C ZINC000583111374 337238324 /nfs/dbraw/zinc/23/83/24/337238324.db2.gz UPOTWZIYZLDKFQ-UHFFFAOYSA-N 1 3 317.521 3.970 20 0 DHADHO Fc1ccc([C@H](CC(F)(F)F)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420374962 337500263 /nfs/dbraw/zinc/50/02/63/337500263.db2.gz OLACIQUJSHNSFP-WFASDCNBSA-N 1 3 318.358 3.799 20 0 DHADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(C3CC3)c2)C[C@H](C)O1 ZINC000421352298 337528008 /nfs/dbraw/zinc/52/80/08/337528008.db2.gz CXAAOMVBIUBYTM-IRXDYDNUSA-N 1 3 316.489 3.543 20 0 DHADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccccc1COCc1ccccc1 ZINC000422867375 337689241 /nfs/dbraw/zinc/68/92/41/337689241.db2.gz SAVYANDYXKIRKQ-RXVVDRJESA-N 1 3 324.468 3.620 20 0 DHADHO COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422939504 337692576 /nfs/dbraw/zinc/69/25/76/337692576.db2.gz FXBFPSBEKQWSEX-BZUAXINKSA-N 1 3 322.518 3.531 20 0 DHADHO Cc1cccc(-c2cccc(CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])c2)c1 ZINC000422903942 337693299 /nfs/dbraw/zinc/69/32/99/337693299.db2.gz GCTRBTBTRGMJPP-MAODMQOUSA-N 1 3 324.468 3.504 20 0 DHADHO Fc1ccc(C2(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000423016766 337695728 /nfs/dbraw/zinc/69/57/28/337695728.db2.gz UNQMOIZQQQTRFQ-BMGDILEWSA-N 1 3 320.427 3.507 20 0 DHADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(C2CCCCC2)CCCCC1 ZINC000423023338 337696081 /nfs/dbraw/zinc/69/60/81/337696081.db2.gz JPAPORCNLXKINI-UHOSZYNNSA-N 1 3 322.537 3.859 20 0 DHADHO Fc1ccccc1[C@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423092786 337699036 /nfs/dbraw/zinc/69/90/36/337699036.db2.gz DLNNBGWCYYRYPB-HSANBRHQSA-N 1 3 302.437 3.582 20 0 DHADHO c1cc2cc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423113505 337700051 /nfs/dbraw/zinc/70/00/51/337700051.db2.gz YIKHDOVUWYNBLR-YSIASYRMSA-N 1 3 311.473 3.611 20 0 DHADHO Clc1cccc(CC2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423165170 337702148 /nfs/dbraw/zinc/70/21/48/337702148.db2.gz APUWGYOJNYOGBX-SJPCQFCGSA-N 1 3 304.865 3.535 20 0 DHADHO Fc1ccc(C[C@@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423218748 337705173 /nfs/dbraw/zinc/70/51/73/337705173.db2.gz VYPHGMRCBLUEHD-YLJYHZDGSA-N 1 3 312.432 3.699 20 0 DHADHO CC[C@H](NC[C@H](C)C[NH2+]C)c1ccc2cc(OC)ccc2c1 ZINC000423255782 337707742 /nfs/dbraw/zinc/70/77/42/337707742.db2.gz ATUBAKHZHBAXCV-KUHUBIRLSA-N 1 3 300.446 3.745 20 0 DHADHO C[NH2+]C[C@@H](C)CN[C@@H](Cc1ccccc1)c1sccc1C ZINC000423281585 337709455 /nfs/dbraw/zinc/70/94/55/337709455.db2.gz VUPVUSTXWABNPN-PBHICJAKSA-N 1 3 302.487 3.785 20 0 DHADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cnc2ccsc2c1 ZINC000423374323 337717276 /nfs/dbraw/zinc/71/72/76/337717276.db2.gz IGZMMIWYYIIHGC-LBPRGKRZSA-N 1 3 309.438 3.750 20 0 DHADHO CC(C)[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423452608 337720097 /nfs/dbraw/zinc/72/00/97/337720097.db2.gz ZHIMZJCNWVBYIN-QGTPRVQTSA-N 1 3 308.416 3.640 20 0 DHADHO CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423481506 337724961 /nfs/dbraw/zinc/72/49/61/337724961.db2.gz WWMACEMYNQCDEP-JCHJZTRSSA-N 1 3 304.453 3.543 20 0 DHADHO Cc1cc(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)ccn1 ZINC000527635087 337753309 /nfs/dbraw/zinc/75/33/09/337753309.db2.gz UUYHTYXODMFYKW-UHFFFAOYSA-N 1 3 323.484 3.912 20 0 DHADHO CCC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccccn1 ZINC000089215359 337867498 /nfs/dbraw/zinc/86/74/98/337867498.db2.gz PTQCXRSURVXWFE-IBGZPJMESA-N 1 3 324.472 3.824 20 0 DHADHO CC[C@@H](C)C[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000093079261 337911855 /nfs/dbraw/zinc/91/18/55/337911855.db2.gz BMBNELRAALVHIV-GOSISDBHSA-N 1 3 318.505 3.693 20 0 DHADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccccc1N(C)C ZINC000093941539 337923088 /nfs/dbraw/zinc/92/30/88/337923088.db2.gz MPPIQDWCERRQTN-MRXNPFEDSA-N 1 3 311.473 3.665 20 0 DHADHO CCOC1(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCCC1 ZINC000516497240 338013867 /nfs/dbraw/zinc/01/38/67/338013867.db2.gz LKIJCPMQKKSYED-HKUYNNGSSA-N 1 3 322.537 3.968 20 0 DHADHO CCOC1(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CCCC1 ZINC000516497240 338013868 /nfs/dbraw/zinc/01/38/68/338013868.db2.gz LKIJCPMQKKSYED-HKUYNNGSSA-N 1 3 322.537 3.968 20 0 DHADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000425923947 338019027 /nfs/dbraw/zinc/01/90/27/338019027.db2.gz MFFWCFVYWMQJIU-XJKSGUPXSA-N 1 3 300.437 3.664 20 0 DHADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](C)CN(C)C ZINC000425949350 338019136 /nfs/dbraw/zinc/01/91/36/338019136.db2.gz FLLPPQGIVYSDJW-UONOGXRCSA-N 1 3 316.411 3.814 20 0 DHADHO CCc1nc(C)c(CN2CCC(CCC[NH+](CC)CC)CC2)o1 ZINC000428363478 338048770 /nfs/dbraw/zinc/04/87/70/338048770.db2.gz QJZDIKUHYRLPCY-UHFFFAOYSA-N 1 3 321.509 3.879 20 0 DHADHO Cc1cc(F)ccc1C1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000428735112 338059983 /nfs/dbraw/zinc/05/99/83/338059983.db2.gz CKFKWSFOGBIMOG-GOSISDBHSA-N 1 3 304.453 3.798 20 0 DHADHO Cc1cc(F)ccc1C1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000428735112 338059984 /nfs/dbraw/zinc/05/99/84/338059984.db2.gz CKFKWSFOGBIMOG-GOSISDBHSA-N 1 3 304.453 3.798 20 0 DHADHO Cc1cc(F)ccc1C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000428735112 338059985 /nfs/dbraw/zinc/05/99/85/338059985.db2.gz CKFKWSFOGBIMOG-GOSISDBHSA-N 1 3 304.453 3.798 20 0 DHADHO C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)Oc1ccc(Cl)cc1 ZINC000429426022 338080541 /nfs/dbraw/zinc/08/05/41/338080541.db2.gz MBSCCNZFNMUGRY-AWEZNQCLSA-N 1 3 324.896 3.960 20 0 DHADHO Cc1cc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)c(C)s1 ZINC000432418693 338155808 /nfs/dbraw/zinc/15/58/08/338155808.db2.gz UPUWNBAFXALZJD-UKRRQHHQSA-N 1 3 310.507 3.516 20 0 DHADHO Cc1cc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)c(C)s1 ZINC000432418693 338155809 /nfs/dbraw/zinc/15/58/09/338155809.db2.gz UPUWNBAFXALZJD-UKRRQHHQSA-N 1 3 310.507 3.516 20 0 DHADHO CC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000432441860 338156628 /nfs/dbraw/zinc/15/66/28/338156628.db2.gz KXYDTBCJBAXYSD-QAPCUYQASA-N 1 3 324.896 3.882 20 0 DHADHO CC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000432441860 338156629 /nfs/dbraw/zinc/15/66/29/338156629.db2.gz KXYDTBCJBAXYSD-QAPCUYQASA-N 1 3 324.896 3.882 20 0 DHADHO Cc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1C ZINC000433078409 338180555 /nfs/dbraw/zinc/18/05/55/338180555.db2.gz RTPZUEQMAUNTSF-WOJBJXKFSA-N 1 3 312.501 3.942 20 0 DHADHO Cc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1C ZINC000433078409 338180556 /nfs/dbraw/zinc/18/05/56/338180556.db2.gz RTPZUEQMAUNTSF-WOJBJXKFSA-N 1 3 312.501 3.942 20 0 DHADHO COc1ccc(CN2CCC(C[NH2+]C3CC(C)(C)C3)CC2)cc1 ZINC000433168823 338183874 /nfs/dbraw/zinc/18/38/74/338183874.db2.gz OUZVOYHVIOPGGO-UHFFFAOYSA-N 1 3 316.489 3.685 20 0 DHADHO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000436471093 338273300 /nfs/dbraw/zinc/27/33/00/338273300.db2.gz QWTDBJFDKVMRPM-MGPUTAFESA-N 1 3 307.441 3.574 20 0 DHADHO CC(C)(C)CC[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000438074356 338329889 /nfs/dbraw/zinc/32/98/89/338329889.db2.gz OWKSPYNLHRULFA-UHFFFAOYSA-N 1 3 317.521 3.615 20 0 DHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000438182894 338335410 /nfs/dbraw/zinc/33/54/10/338335410.db2.gz VCQBYWMAKRLTBB-QZTJIDSGSA-N 1 3 304.478 3.698 20 0 DHADHO C[C@H]1CCC[C@@]1(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449344628 338615446 /nfs/dbraw/zinc/61/54/46/338615446.db2.gz RXZPRXPNPYBXML-OXJNMPFZSA-N 1 3 324.553 3.806 20 0 DHADHO CO[C@@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449344788 338615568 /nfs/dbraw/zinc/61/55/68/338615568.db2.gz SFMIPORENDZMTN-KRWDZBQOSA-N 1 3 310.526 3.680 20 0 DHADHO Cc1csc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000453328247 338825607 /nfs/dbraw/zinc/82/56/07/338825607.db2.gz WSBNRHYRZSNCRD-OAHLLOKOSA-N 1 3 318.486 3.848 20 0 DHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(C3CC3)cc2)C[C@H](C)O1 ZINC000459382626 339026090 /nfs/dbraw/zinc/02/60/90/339026090.db2.gz FXRSMRVJDICCTI-IRXDYDNUSA-N 1 3 316.489 3.543 20 0 DHADHO c1csc([C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C2CC2)c1 ZINC000459397579 339027011 /nfs/dbraw/zinc/02/70/11/339027011.db2.gz XOWTWAGFCSLOSM-SFHVURJKSA-N 1 3 313.470 3.853 20 0 DHADHO CC(C)c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459518244 339033835 /nfs/dbraw/zinc/03/38/35/339033835.db2.gz FNEZWLKKXLJFBY-UHFFFAOYSA-N 1 3 309.457 3.964 20 0 DHADHO c1ccc2c(c1)CCC([NH2+]C1CCN(c3ccncc3)CC1)CC2 ZINC000459579551 339037048 /nfs/dbraw/zinc/03/70/48/339037048.db2.gz ZBKUSMHBOKINGH-UHFFFAOYSA-N 1 3 321.468 3.588 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2nc(-c3ccccc3)cs2)C1 ZINC000459734959 339045116 /nfs/dbraw/zinc/04/51/16/339045116.db2.gz PBIMHOWARZINQF-HNNXBMFYSA-N 1 3 315.486 3.632 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2nc(-c3ccccc3)cs2)C1 ZINC000459734959 339045117 /nfs/dbraw/zinc/04/51/17/339045117.db2.gz PBIMHOWARZINQF-HNNXBMFYSA-N 1 3 315.486 3.632 20 0 DHADHO CCC(CC)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000461797609 339067248 /nfs/dbraw/zinc/06/72/48/339067248.db2.gz SJCMVBLNTMFIFB-UHFFFAOYSA-N 1 3 317.521 3.675 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000462512064 339080351 /nfs/dbraw/zinc/08/03/51/339080351.db2.gz OYXRVJBGCTZUOU-QGZVFWFLSA-N 1 3 309.457 3.916 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+]C2CCC(C)(C)CC2)cc1 ZINC000462687976 339084115 /nfs/dbraw/zinc/08/41/15/339084115.db2.gz SVZUZVMIBGTUJY-UHFFFAOYSA-N 1 3 304.478 3.685 20 0 DHADHO CN(C)CCOc1cccc(C[NH2+]C2CCC(C)(C)CC2)c1 ZINC000462688691 339084155 /nfs/dbraw/zinc/08/41/55/339084155.db2.gz UHKFDGWDQLTJKV-UHFFFAOYSA-N 1 3 304.478 3.685 20 0 DHADHO CN(CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C1CCCCC1 ZINC000462791492 339088910 /nfs/dbraw/zinc/08/89/10/339088910.db2.gz LHZPCVBKXIKIQO-IPMKNSEASA-N 1 3 322.537 3.826 20 0 DHADHO CN(CCc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464857080 339158240 /nfs/dbraw/zinc/15/82/40/339158240.db2.gz VKSUHJFECSTRTB-NRFANRHFSA-N 1 3 308.469 3.683 20 0 DHADHO CN(CCc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464857080 339158241 /nfs/dbraw/zinc/15/82/41/339158241.db2.gz VKSUHJFECSTRTB-NRFANRHFSA-N 1 3 308.469 3.683 20 0 DHADHO C[C@@H](CC(F)(F)F)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000468028026 339251528 /nfs/dbraw/zinc/25/15/28/339251528.db2.gz UZTGINNHIBEEGN-STQMWFEESA-N 1 3 318.383 3.619 20 0 DHADHO CCCCOc1ccc(CN2CCC(CC[NH2+]C)CC2)cc1 ZINC000469846098 339302454 /nfs/dbraw/zinc/30/24/54/339302454.db2.gz HTCKAQQGYWQRQO-UHFFFAOYSA-N 1 3 304.478 3.687 20 0 DHADHO COc1ccc([C@@H]2CCCCCN2C[C@H]2CCC[NH2+]C2)cc1 ZINC000469880602 339303576 /nfs/dbraw/zinc/30/35/76/339303576.db2.gz NXKOKZVTIROTPZ-LPHOPBHVSA-N 1 3 302.462 3.612 20 0 DHADHO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000469880602 339303577 /nfs/dbraw/zinc/30/35/77/339303577.db2.gz NXKOKZVTIROTPZ-LPHOPBHVSA-N 1 3 302.462 3.612 20 0 DHADHO COc1ccc([C@@H]2CCCCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000469880602 339303578 /nfs/dbraw/zinc/30/35/78/339303578.db2.gz NXKOKZVTIROTPZ-LPHOPBHVSA-N 1 3 302.462 3.612 20 0 DHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4ccccc4F)s3)C[C@@H]12 ZINC000469885026 339303751 /nfs/dbraw/zinc/30/37/51/339303751.db2.gz RPCXKFVZFKTFQF-SRCQZFHVSA-N 1 3 316.445 3.723 20 0 DHADHO CC[N@@H+]1CC[C@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@@H](C)C1 ZINC000470165057 339312371 /nfs/dbraw/zinc/31/23/71/339312371.db2.gz CTSANDQPNJQAPN-LIRRHRJNSA-N 1 3 313.489 3.913 20 0 DHADHO CC[N@H+]1CC[C@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@@H](C)C1 ZINC000470165057 339312372 /nfs/dbraw/zinc/31/23/72/339312372.db2.gz CTSANDQPNJQAPN-LIRRHRJNSA-N 1 3 313.489 3.913 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OCC(C)C)[C@@H](C)C1 ZINC000471238848 339340939 /nfs/dbraw/zinc/34/09/39/339340939.db2.gz MTYHPPDLVSWMJP-PKOBYXMFSA-N 1 3 318.505 3.884 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC(C)C)[C@@H](C)C1 ZINC000471238848 339340940 /nfs/dbraw/zinc/34/09/40/339340940.db2.gz MTYHPPDLVSWMJP-PKOBYXMFSA-N 1 3 318.505 3.884 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)C1CCC(F)(F)CC1 ZINC000474032212 339397873 /nfs/dbraw/zinc/39/78/73/339397873.db2.gz JJOAHMFUPKEXEB-OAHLLOKOSA-N 1 3 302.453 3.912 20 0 DHADHO COC[C@H](CC(C)C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000480443373 339573206 /nfs/dbraw/zinc/57/32/06/339573206.db2.gz VGIJBSBSOSBDPR-FQEVSTJZSA-N 1 3 318.505 3.823 20 0 DHADHO C[C@H]1C[C@H]1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000488472657 339784593 /nfs/dbraw/zinc/78/45/93/339784593.db2.gz XFCDGUHBKJFEPA-YOEHRIQHSA-N 1 3 306.881 3.798 20 0 DHADHO CSc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000501807119 340089199 /nfs/dbraw/zinc/08/91/99/340089199.db2.gz VQOBKAPFKPRXLZ-UHFFFAOYSA-N 1 3 306.519 3.962 20 0 DHADHO CCC[NH+]1CCC(CN[C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000502712009 340112007 /nfs/dbraw/zinc/11/20/07/340112007.db2.gz LVKIPHFXEDGHDA-INIZCTEOSA-N 1 3 318.509 3.771 20 0 DHADHO COc1ccc(CN(CC[C@H]2CCC[N@@H+]2C)[C@H](C)C2CC2)cc1 ZINC000502719490 340112030 /nfs/dbraw/zinc/11/20/30/340112030.db2.gz BWTSYUNOFSPCGF-VQIMIIECSA-N 1 3 316.489 3.780 20 0 DHADHO COc1ccc(CN(CC[C@H]2CCC[N@H+]2C)[C@H](C)C2CC2)cc1 ZINC000502719490 340112031 /nfs/dbraw/zinc/11/20/31/340112031.db2.gz BWTSYUNOFSPCGF-VQIMIIECSA-N 1 3 316.489 3.780 20 0 DHADHO CC[C@H](C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000503004775 340118442 /nfs/dbraw/zinc/11/84/42/340118442.db2.gz KTQUNTGUOCBOIN-CEXWTWQISA-N 1 3 318.505 3.659 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000503024317 340118992 /nfs/dbraw/zinc/11/89/92/340118992.db2.gz MZZYUGCSYGZVKD-RLLQIKCJSA-N 1 3 300.490 3.748 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H]2C[C@H]2c2ccccc2)C1 ZINC000503024317 340118993 /nfs/dbraw/zinc/11/89/93/340118993.db2.gz MZZYUGCSYGZVKD-RLLQIKCJSA-N 1 3 300.490 3.748 20 0 DHADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H]2C[C@H]2c2ccccc2)C1 ZINC000503024317 340118994 /nfs/dbraw/zinc/11/89/94/340118994.db2.gz MZZYUGCSYGZVKD-RLLQIKCJSA-N 1 3 300.490 3.748 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(OC)c(C)c2)CC1 ZINC000506851750 340202823 /nfs/dbraw/zinc/20/28/23/340202823.db2.gz QEMGWZGSOSXZHY-UHFFFAOYSA-N 1 3 318.505 3.948 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(OC)c(C)c2)CC1 ZINC000506851750 340202824 /nfs/dbraw/zinc/20/28/24/340202824.db2.gz QEMGWZGSOSXZHY-UHFFFAOYSA-N 1 3 318.505 3.948 20 0 DHADHO CC[C@@H]1C[C@H](CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000507802427 340232110 /nfs/dbraw/zinc/23/21/10/340232110.db2.gz HDAPAQAZQVATSU-HSALFYBXSA-N 1 3 322.537 3.780 20 0 DHADHO COc1ccc([C@H](C)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000302832529 340283274 /nfs/dbraw/zinc/28/32/74/340283274.db2.gz IOLZBPAPYOQBAX-KRWDZBQOSA-N 1 3 312.457 3.868 20 0 DHADHO COc1ccc([C@H](C)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000302832529 340283275 /nfs/dbraw/zinc/28/32/75/340283275.db2.gz IOLZBPAPYOQBAX-KRWDZBQOSA-N 1 3 312.457 3.868 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510707779 340307438 /nfs/dbraw/zinc/30/74/38/340307438.db2.gz YGTWKPOSJVYJMK-CABCVRRESA-N 1 3 310.432 3.607 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000510735346 340308793 /nfs/dbraw/zinc/30/87/93/340308793.db2.gz NTROWCVGFXHOCQ-KFWWJZLASA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000510735346 340308794 /nfs/dbraw/zinc/30/87/94/340308794.db2.gz NTROWCVGFXHOCQ-KFWWJZLASA-N 1 3 308.416 3.502 20 0 DHADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2CCCF)c1 ZINC000510753714 340309780 /nfs/dbraw/zinc/30/97/80/340309780.db2.gz PAUJGVKSBZTBMX-PKOBYXMFSA-N 1 3 322.468 3.635 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H](CO)CC3CCCC3)CC2)C1 ZINC000511036040 340318864 /nfs/dbraw/zinc/31/88/64/340318864.db2.gz ZOYLUUZXNXQFIV-LSTHTHJFSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H](CO)CC3CCCC3)CC2)C1 ZINC000511036040 340318865 /nfs/dbraw/zinc/31/88/65/340318865.db2.gz ZOYLUUZXNXQFIV-LSTHTHJFSA-N 1 3 322.537 3.560 20 0 DHADHO C[NH+](C)Cc1cccc(CNC/C=C\c2ccc(F)c(F)c2)c1 ZINC000512134202 340349611 /nfs/dbraw/zinc/34/96/11/340349611.db2.gz YNNIUQZRPRFIGL-DAXSKMNVSA-N 1 3 316.395 3.829 20 0 DHADHO COC[C@@H](C)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000173983022 340379440 /nfs/dbraw/zinc/37/94/40/340379440.db2.gz NCHDZBZKZCZZRJ-MRXNPFEDSA-N 1 3 304.478 3.576 20 0 DHADHO COC[C@@H](C)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000173983022 340379441 /nfs/dbraw/zinc/37/94/41/340379441.db2.gz NCHDZBZKZCZZRJ-MRXNPFEDSA-N 1 3 304.478 3.576 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3(CCO)CCCC3)CC2)C1 ZINC000512964856 340385919 /nfs/dbraw/zinc/38/59/19/340385919.db2.gz WCSNMBWAOLLFBE-IEBWSBKVSA-N 1 3 322.537 3.562 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(CCO)CCCC3)CC2)C1 ZINC000512964856 340385920 /nfs/dbraw/zinc/38/59/20/340385920.db2.gz WCSNMBWAOLLFBE-IEBWSBKVSA-N 1 3 322.537 3.562 20 0 DHADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2SCCc3ccccc32)CC1 ZINC000513017169 340388716 /nfs/dbraw/zinc/38/87/16/340388716.db2.gz JBVWZFYAJUJNDI-SFHVURJKSA-N 1 3 318.530 3.870 20 0 DHADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2SCCc3ccccc32)CC1 ZINC000513017169 340388717 /nfs/dbraw/zinc/38/87/17/340388717.db2.gz JBVWZFYAJUJNDI-SFHVURJKSA-N 1 3 318.530 3.870 20 0 DHADHO C[C@H](Cc1ccncc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000513040703 340390255 /nfs/dbraw/zinc/39/02/55/340390255.db2.gz HRZVANBCTDRNQP-MBOZVWFJSA-N 1 3 315.505 3.645 20 0 DHADHO C[C@H](Cc1ccncc1)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000513040703 340390256 /nfs/dbraw/zinc/39/02/56/340390256.db2.gz HRZVANBCTDRNQP-MBOZVWFJSA-N 1 3 315.505 3.645 20 0 DHADHO C[C@H](Cc1ccncc1)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000513040702 340390316 /nfs/dbraw/zinc/39/03/16/340390316.db2.gz HRZVANBCTDRNQP-HLIPFELVSA-N 1 3 315.505 3.645 20 0 DHADHO C[C@H](Cc1ccncc1)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000513040702 340390317 /nfs/dbraw/zinc/39/03/17/340390317.db2.gz HRZVANBCTDRNQP-HLIPFELVSA-N 1 3 315.505 3.645 20 0 DHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(O)CCCCCC3)CC2)C1 ZINC000513207681 340397242 /nfs/dbraw/zinc/39/72/42/340397242.db2.gz DIOOSQYPZIONTO-HKUYNNGSSA-N 1 3 322.537 3.704 20 0 DHADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC3(O)CCCCCC3)CC2)C1 ZINC000513207681 340397243 /nfs/dbraw/zinc/39/72/43/340397243.db2.gz DIOOSQYPZIONTO-HKUYNNGSSA-N 1 3 322.537 3.704 20 0 DHADHO Clc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000226347856 340583200 /nfs/dbraw/zinc/58/32/00/340583200.db2.gz BFPTVOJIDUYTEK-QLFBSQMISA-N 1 3 312.910 3.844 20 0 DHADHO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000525180961 340693797 /nfs/dbraw/zinc/69/37/97/340693797.db2.gz SMMORDHRQFVLKU-WMZOPIPTSA-N 1 3 304.478 3.685 20 0 DHADHO Clc1ccc2c(c1)CC[C@H]2N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000530244683 340783543 /nfs/dbraw/zinc/78/35/43/340783543.db2.gz MRJUMWZWVOFBFK-BRSBDYLESA-N 1 3 304.865 3.838 20 0 DHADHO CC(C)c1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000062252921 340792188 /nfs/dbraw/zinc/79/21/88/340792188.db2.gz VFSPUSXODHZQRN-ROUUACIJSA-N 1 3 318.505 3.789 20 0 DHADHO CCOc1ccc(Cl)cc1[C@@H](C)NCC1CC[NH+](C)CC1 ZINC000126248495 340825433 /nfs/dbraw/zinc/82/54/33/340825433.db2.gz CAJDPVRRDUSZSY-CYBMUJFWSA-N 1 3 310.869 3.731 20 0 DHADHO CCCC1(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000540160054 340918878 /nfs/dbraw/zinc/91/88/78/340918878.db2.gz RWCUZQIUANMPDT-INIZCTEOSA-N 1 3 304.478 3.858 20 0 DHADHO C[C@@H](C[NH2+]C1CCC(C(F)(F)F)CC1)CN1CCCCC1 ZINC000068635328 340919843 /nfs/dbraw/zinc/91/98/43/340919843.db2.gz VNCYHOLCUKCTAT-NFOMZHRRSA-N 1 3 306.416 3.819 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccc(OCCN(C)C)cc1 ZINC000540168447 340919917 /nfs/dbraw/zinc/91/99/17/340919917.db2.gz KBEXZIKKZMNSSL-JFIYKMOQSA-N 1 3 304.478 3.856 20 0 DHADHO CC[NH+](CC)CCOCCN[C@H](C)c1oc2ccccc2c1C ZINC000541742136 340981942 /nfs/dbraw/zinc/98/19/42/340981942.db2.gz ZRTVWNGYRPINOI-MRXNPFEDSA-N 1 3 318.461 3.750 20 0 DHADHO C[C@H]([NH2+]CCCCC(F)(F)F)[C@@H]1CCCN(C2CCC2)C1 ZINC000542533375 341012414 /nfs/dbraw/zinc/01/24/14/341012414.db2.gz UXTWCWIUBUJKSI-UONOGXRCSA-N 1 3 306.416 3.962 20 0 DHADHO Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000548155754 341249928 /nfs/dbraw/zinc/24/99/28/341249928.db2.gz QIBIQQYOMOKXHZ-IEBWSBKVSA-N 1 3 312.457 3.631 20 0 DHADHO Cc1ccc(CCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000548155754 341249929 /nfs/dbraw/zinc/24/99/29/341249929.db2.gz QIBIQQYOMOKXHZ-IEBWSBKVSA-N 1 3 312.457 3.631 20 0 DHADHO Cc1ccc(CCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000548155754 341249930 /nfs/dbraw/zinc/24/99/30/341249930.db2.gz QIBIQQYOMOKXHZ-IEBWSBKVSA-N 1 3 312.457 3.631 20 0 DHADHO Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000548155755 341250029 /nfs/dbraw/zinc/25/00/29/341250029.db2.gz QIBIQQYOMOKXHZ-MJGOQNOKSA-N 1 3 312.457 3.631 20 0 DHADHO Cc1ccc(CCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000548155755 341250030 /nfs/dbraw/zinc/25/00/30/341250030.db2.gz QIBIQQYOMOKXHZ-MJGOQNOKSA-N 1 3 312.457 3.631 20 0 DHADHO Cc1ccc(CCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000548155755 341250031 /nfs/dbraw/zinc/25/00/31/341250031.db2.gz QIBIQQYOMOKXHZ-MJGOQNOKSA-N 1 3 312.457 3.631 20 0 DHADHO CC(C)[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000548805819 341276438 /nfs/dbraw/zinc/27/64/38/341276438.db2.gz ATWCQCGDZJYHKX-IBGZPJMESA-N 1 3 304.453 3.987 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000549142491 341287155 /nfs/dbraw/zinc/28/71/55/341287155.db2.gz JPTDBJBDIPKYDC-QGZVFWFLSA-N 1 3 309.457 3.774 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000549142490 341287193 /nfs/dbraw/zinc/28/71/93/341287193.db2.gz JPTDBJBDIPKYDC-KRWDZBQOSA-N 1 3 309.457 3.774 20 0 DHADHO C[C@H]1CC(CC[NH2+]C2CCN(C3CCCC3)CC2)C[C@H](C)O1 ZINC000549226478 341289068 /nfs/dbraw/zinc/28/90/68/341289068.db2.gz YPGGYEOLRAWYPE-HOTGVXAUSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H]1CC(CC[NH2+]C2CCN(C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000549612052 341299007 /nfs/dbraw/zinc/29/90/07/341299007.db2.gz UTLYPLOYCDYLEK-IAGOWNOFSA-N 1 3 322.537 3.967 20 0 DHADHO CCOC1(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCCC1 ZINC000550881848 341325283 /nfs/dbraw/zinc/32/52/83/341325283.db2.gz DTOBGSPJJWXFPU-IEBWSBKVSA-N 1 3 322.537 3.968 20 0 DHADHO CCOC1(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CCCC1 ZINC000550881848 341325284 /nfs/dbraw/zinc/32/52/84/341325284.db2.gz DTOBGSPJJWXFPU-IEBWSBKVSA-N 1 3 322.537 3.968 20 0 DHADHO COc1ccc([C@@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)C2CC2)cc1 ZINC000246169924 341331253 /nfs/dbraw/zinc/33/12/53/341331253.db2.gz VFQUQQIYLCKUHH-UZLBHIALSA-N 1 3 316.489 3.856 20 0 DHADHO COc1ccc([C@@H](NC[C@H]2CCC[N@H+](C(C)C)C2)C2CC2)cc1 ZINC000246169924 341331254 /nfs/dbraw/zinc/33/12/54/341331254.db2.gz VFQUQQIYLCKUHH-UZLBHIALSA-N 1 3 316.489 3.856 20 0 DHADHO COc1ccc([C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C2CC2)cc1 ZINC000246169924 341331255 /nfs/dbraw/zinc/33/12/55/341331255.db2.gz VFQUQQIYLCKUHH-UZLBHIALSA-N 1 3 316.489 3.856 20 0 DHADHO C[C@H](F)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000551265700 341336069 /nfs/dbraw/zinc/33/60/69/341336069.db2.gz YRMTYADLXRGKKP-DSLXNQLJSA-N 1 3 304.453 3.625 20 0 DHADHO CCOc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1Cl ZINC000551815980 341352810 /nfs/dbraw/zinc/35/28/10/341352810.db2.gz GLORSXICJKKMAH-UHFFFAOYSA-N 1 3 322.880 3.703 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc(OCc3ccccc3)c2)C1 ZINC000261551714 341353595 /nfs/dbraw/zinc/35/35/95/341353595.db2.gz QVZDHBSFGFVLJM-RBUKOAKNSA-N 1 3 310.441 3.625 20 0 DHADHO CC[C@@H]1CCCCN1CC1(C[N@@H+]2CCCC[C@H]2CC)COC1 ZINC000246679264 341355550 /nfs/dbraw/zinc/35/55/50/341355550.db2.gz JUHCCVLGSIOYJH-QZTJIDSGSA-N 1 3 308.510 3.532 20 0 DHADHO CC[C@@H]1CCCCN1CC1(C[N@H+]2CCCC[C@H]2CC)COC1 ZINC000246679264 341355551 /nfs/dbraw/zinc/35/55/51/341355551.db2.gz JUHCCVLGSIOYJH-QZTJIDSGSA-N 1 3 308.510 3.532 20 0 DHADHO CC[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000246864634 341357978 /nfs/dbraw/zinc/35/79/78/341357978.db2.gz CQRPLHAMQNSHDA-KLZNWCGWSA-N 1 3 324.896 3.816 20 0 DHADHO CC[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000246864634 341357979 /nfs/dbraw/zinc/35/79/79/341357979.db2.gz CQRPLHAMQNSHDA-KLZNWCGWSA-N 1 3 324.896 3.816 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000246896233 341358317 /nfs/dbraw/zinc/35/83/17/341358317.db2.gz FBHGLGNMEZZDME-MDZRGWNJSA-N 1 3 302.462 3.535 20 0 DHADHO Cc1cccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000246958082 341359180 /nfs/dbraw/zinc/35/91/80/341359180.db2.gz ISDFNPZJDFOPKA-BZSNNMDCSA-N 1 3 304.478 3.535 20 0 DHADHO COc1cccc([C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246979606 341359450 /nfs/dbraw/zinc/35/94/50/341359450.db2.gz VWDRDXJMPXBSRQ-RIFZZMRRSA-N 1 3 314.473 3.705 20 0 DHADHO COc1cccc([C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246979606 341359451 /nfs/dbraw/zinc/35/94/51/341359451.db2.gz VWDRDXJMPXBSRQ-RIFZZMRRSA-N 1 3 314.473 3.705 20 0 DHADHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000247162156 341361662 /nfs/dbraw/zinc/36/16/62/341361662.db2.gz XVYOKSSALSEFCH-BZSNNMDCSA-N 1 3 304.478 3.535 20 0 DHADHO COCc1ccccc1/C=C(\C)CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000552043891 341364487 /nfs/dbraw/zinc/36/44/87/341364487.db2.gz FMSJMAIHIDVTPJ-VJTMMXLYSA-N 1 3 316.489 3.508 20 0 DHADHO COCc1ccccc1/C=C(\C)CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000552043891 341364488 /nfs/dbraw/zinc/36/44/88/341364488.db2.gz FMSJMAIHIDVTPJ-VJTMMXLYSA-N 1 3 316.489 3.508 20 0 DHADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc2n[nH]cc2c1 ZINC000552097320 341369654 /nfs/dbraw/zinc/36/96/54/341369654.db2.gz ZSVYCNKSAPFNQD-CQSZACIVSA-N 1 3 312.461 3.621 20 0 DHADHO c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000249082761 341393364 /nfs/dbraw/zinc/39/33/64/341393364.db2.gz HUJDSJOGAXURGY-HKUYNNGSSA-N 1 3 310.441 3.769 20 0 DHADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000249144414 341394679 /nfs/dbraw/zinc/39/46/79/341394679.db2.gz SRXFNZMLYHERSC-IMJJTQAJSA-N 1 3 314.395 3.652 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000250699012 341407202 /nfs/dbraw/zinc/40/72/02/341407202.db2.gz SAGPGXUUZQOAGN-ARFHVFGLSA-N 1 3 306.519 3.926 20 0 DHADHO C[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1cncs1 ZINC000268839109 341604726 /nfs/dbraw/zinc/60/47/26/341604726.db2.gz YZBRIIYOOLKDKU-OAHLLOKOSA-N 1 3 315.486 3.706 20 0 DHADHO Cc1ccc(CNCc2ccc(C[NH3+])cc2)cc1Br ZINC000567734503 341630459 /nfs/dbraw/zinc/63/04/59/341630459.db2.gz MOMUQLHKKWHKFY-UHFFFAOYSA-N 1 3 319.246 3.506 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NCC2(c3c(F)cccc3F)CCCC2)C1 ZINC000577004923 341875179 /nfs/dbraw/zinc/87/51/79/341875179.db2.gz OHJPXKIUZLRFFU-UONOGXRCSA-N 1 3 308.416 3.636 20 0 DHADHO C[C@@H](c1ccc(OC(F)F)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000577513443 341914839 /nfs/dbraw/zinc/91/48/39/341914839.db2.gz NWHCGTTYZHJNLF-XJKSGUPXSA-N 1 3 324.415 3.671 20 0 DHADHO CC(C)Cc1ncc(CNCCCCC[NH+]2CCCC2)s1 ZINC000339501673 519464000 /nfs/dbraw/zinc/46/40/00/519464000.db2.gz YTYQSLZTBRDDQV-UHFFFAOYSA-N 1 3 309.523 3.697 20 0 DHADHO CC(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CCCC[C@H]2C)cc1 ZINC000181921020 519733576 /nfs/dbraw/zinc/73/35/76/519733576.db2.gz LQFXPENJOQFSMV-CVEARBPZSA-N 1 3 317.477 3.560 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000249377568 521711433 /nfs/dbraw/zinc/71/14/33/521711433.db2.gz MHRMYQZDIIUXGL-OLZOCXBDSA-N 1 3 316.367 3.578 20 0 DHADHO C[N@@H+]1CCC[C@]2(CCN([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000339438520 523858780 /nfs/dbraw/zinc/85/87/80/523858780.db2.gz OXTJMUHVTHCTPL-MOPGFXCFSA-N 1 3 302.437 3.621 20 0 DHADHO C[N@H+]1CCC[C@]2(CCN([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000339438520 523858790 /nfs/dbraw/zinc/85/87/90/523858790.db2.gz OXTJMUHVTHCTPL-MOPGFXCFSA-N 1 3 302.437 3.621 20 0 DHADHO C[N@@H+]1CCC[C@]2(CCN(Cc3csc4ccccc34)C2)C1 ZINC000339440415 523860085 /nfs/dbraw/zinc/86/00/85/523860085.db2.gz XLGVFSONFSKRCC-SFHVURJKSA-N 1 3 300.471 3.819 20 0 DHADHO C[N@H+]1CCC[C@]2(CCN(Cc3csc4ccccc34)C2)C1 ZINC000339440415 523860090 /nfs/dbraw/zinc/86/00/90/523860090.db2.gz XLGVFSONFSKRCC-SFHVURJKSA-N 1 3 300.471 3.819 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCc2ccncc2)CC1 ZINC000159068623 524097180 /nfs/dbraw/zinc/09/71/80/524097180.db2.gz BTZNWAGCDORAKR-GOSISDBHSA-N 1 3 315.505 3.601 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCc2ccncc2)CC1 ZINC000159068623 524097191 /nfs/dbraw/zinc/09/71/91/524097191.db2.gz BTZNWAGCDORAKR-GOSISDBHSA-N 1 3 315.505 3.601 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)CN1CCCCC1 ZINC000337330099 524498934 /nfs/dbraw/zinc/49/89/34/524498934.db2.gz GEPWHLPBAKLLNU-WSTZPKSXSA-N 1 3 315.505 3.819 20 0 DHADHO C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000226331938 524845227 /nfs/dbraw/zinc/84/52/27/524845227.db2.gz KCZVPSFPMRDSSZ-SGMGOOAPSA-N 1 3 300.368 3.826 20 0 DHADHO Cc1ccccc1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000157127789 525167782 /nfs/dbraw/zinc/16/77/82/525167782.db2.gz AMYRMTWFELSZBF-KRWDZBQOSA-N 1 3 312.457 3.786 20 0 DHADHO COc1ccc2c(c1)[C@H](NCc1cccc(C[NH+](C)C)c1)CCC2 ZINC000268760369 525590121 /nfs/dbraw/zinc/59/01/21/525590121.db2.gz NEPURWZILWZVBF-OAQYLSRUSA-N 1 3 324.468 3.924 20 0 DHADHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000298372478 535147120 /nfs/dbraw/zinc/14/71/20/535147120.db2.gz KUABJGINEIAMMI-UHFFFAOYSA-N 1 3 323.484 3.909 20 0 DHADHO c1coc(CSCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167964046 1013198131 /nfs/dbraw/zinc/19/81/31/1013198131.db2.gz MALHVGAWKDHIES-ALOPSCKCSA-N 1 3 320.502 3.508 20 0 DHADHO c1coc(CSCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167964046 1013198138 /nfs/dbraw/zinc/19/81/38/1013198138.db2.gz MALHVGAWKDHIES-ALOPSCKCSA-N 1 3 320.502 3.508 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000037644071 1013200407 /nfs/dbraw/zinc/20/04/07/1013200407.db2.gz KWIRTMCTVYZWOB-QWHCGFSZSA-N 1 3 300.368 3.698 20 0 DHADHO Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCS2 ZINC000037649408 1013206379 /nfs/dbraw/zinc/20/63/79/1013206379.db2.gz RULDNJQMCZAOLM-BLLLJJGKSA-N 1 3 322.905 3.951 20 0 DHADHO Clc1scc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1Cl ZINC000415013972 1013335377 /nfs/dbraw/zinc/33/53/77/1013335377.db2.gz WCTYVRNWSKHGSK-WDEREUQCSA-N 1 3 305.274 3.533 20 0 DHADHO c1ccc(C2CC(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167967629 1013342047 /nfs/dbraw/zinc/34/20/47/1013342047.db2.gz IZROEGVZVMVPTR-AFQACZAZSA-N 1 3 310.485 3.928 20 0 DHADHO c1ccc(C2CC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167967629 1013342057 /nfs/dbraw/zinc/34/20/57/1013342057.db2.gz IZROEGVZVMVPTR-AFQACZAZSA-N 1 3 310.485 3.928 20 0 DHADHO Clc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)s1 ZINC001167981856 1013467535 /nfs/dbraw/zinc/46/75/35/1013467535.db2.gz NHGREUXDEULTLE-GOOCMWNKSA-N 1 3 324.921 3.939 20 0 DHADHO Clc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)s1 ZINC001167981856 1013467541 /nfs/dbraw/zinc/46/75/41/1013467541.db2.gz NHGREUXDEULTLE-GOOCMWNKSA-N 1 3 324.921 3.939 20 0 DHADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1F ZINC000340471208 1013839253 /nfs/dbraw/zinc/83/92/53/1013839253.db2.gz SYIJRHYKDWZXQK-OAGGEKHMSA-N 1 3 307.457 3.629 20 0 DHADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000474818118 1013879325 /nfs/dbraw/zinc/87/93/25/1013879325.db2.gz PZBPPNVKHHYUQU-QFBILLFUSA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)O[C@@H](C[N@@H+]1CCCC12CCN(C)CC2)c1ccccc1 ZINC000639082886 1014304755 /nfs/dbraw/zinc/30/47/55/1014304755.db2.gz ZXGJADDVBHEUOT-IBGZPJMESA-N 1 3 316.489 3.713 20 0 DHADHO CC(C)O[C@@H](C[N@H+]1CCCC12CCN(C)CC2)c1ccccc1 ZINC000639082886 1014304767 /nfs/dbraw/zinc/30/47/67/1014304767.db2.gz ZXGJADDVBHEUOT-IBGZPJMESA-N 1 3 316.489 3.713 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)C2(c3ccccc3)CCCC2)C1 ZINC000520648505 1014400252 /nfs/dbraw/zinc/40/02/52/1014400252.db2.gz BVZHCVOLLMHGGP-ZWKOTPCHSA-N 1 3 300.490 3.818 20 0 DHADHO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000665234505 1014505996 /nfs/dbraw/zinc/50/59/96/1014505996.db2.gz DZVKPBWAAQAVDO-CXAGYDPISA-N 1 3 315.436 3.660 20 0 DHADHO C[C@@H]1CC([NH2+]Cc2cccc(O)c2)C[C@@H](C)N1Cc1ccccc1 ZINC001168012017 1014603435 /nfs/dbraw/zinc/60/34/35/1014603435.db2.gz UWUQWTUFUCPOPL-IAGOWNOFSA-N 1 3 324.468 3.923 20 0 DHADHO CSc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000581251285 1014653623 /nfs/dbraw/zinc/65/36/23/1014653623.db2.gz KTMUDHRZUHKBQK-DHSIGJKJSA-N 1 3 304.503 3.858 20 0 DHADHO CSc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000581251285 1014653628 /nfs/dbraw/zinc/65/36/28/1014653628.db2.gz KTMUDHRZUHKBQK-DHSIGJKJSA-N 1 3 304.503 3.858 20 0 DHADHO CC(C)[C@H]([NH3+])CCN[C@H](C)Cc1ccccc1C(F)(F)F ZINC000665282424 1014681760 /nfs/dbraw/zinc/68/17/60/1014681760.db2.gz XZMKDOWSDVIKMJ-IUODEOHRSA-N 1 3 302.384 3.599 20 0 DHADHO FC(F)C1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000442782661 1014731111 /nfs/dbraw/zinc/73/11/11/1014731111.db2.gz LSZPDAGUUHKBCX-UHFFFAOYSA-N 1 3 300.437 3.807 20 0 DHADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2C)C1 ZINC000442996927 1014783558 /nfs/dbraw/zinc/78/35/58/1014783558.db2.gz XMWJTZQJTDNAEG-AWEZNQCLSA-N 1 3 314.395 3.835 20 0 DHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCC(F)(F)F ZINC000276175983 1014792415 /nfs/dbraw/zinc/79/24/15/1014792415.db2.gz FZCNAVIRGUSFNQ-ZIAGYGMSSA-N 1 3 314.395 3.685 20 0 DHADHO CCc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)c2ccccc2n1 ZINC000443676588 1015100512 /nfs/dbraw/zinc/10/05/12/1015100512.db2.gz UWNUCMJLSIFDER-KRWDZBQOSA-N 1 3 309.457 3.862 20 0 DHADHO CC(C)Cc1ncc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656786116 1015157395 /nfs/dbraw/zinc/15/73/95/1015157395.db2.gz KRMDJTFUFAOTGV-INIZCTEOSA-N 1 3 321.534 3.553 20 0 DHADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341756077 1015722383 /nfs/dbraw/zinc/72/23/83/1015722383.db2.gz BYQJVJNOOIENDA-HNNXBMFYSA-N 1 3 310.869 3.731 20 0 DHADHO Cc1cccc(CN(Cc2ccccn2)CC2CC[NH+](C)CC2)c1 ZINC000891935075 1015769106 /nfs/dbraw/zinc/76/91/06/1015769106.db2.gz NAXZCBKLQQDACN-UHFFFAOYSA-N 1 3 323.484 3.734 20 0 DHADHO Cc1ncsc1-c1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000657286169 1016189450 /nfs/dbraw/zinc/18/94/50/1016189450.db2.gz STOYFXGTOYEAMW-UHFFFAOYSA-N 1 3 317.502 3.796 20 0 DHADHO COc1ccccc1-c1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000582370459 1016631627 /nfs/dbraw/zinc/63/16/27/1016631627.db2.gz QALKMRBNVMBDQO-UHFFFAOYSA-N 1 3 310.441 3.548 20 0 DHADHO CCn1c2ccccc2c2cc(CN3CC[C@@H](C[NH3+])C3)ccc21 ZINC000347035897 1016691553 /nfs/dbraw/zinc/69/15/53/1016691553.db2.gz DRHOTQRSVDWGQI-INIZCTEOSA-N 1 3 307.441 3.595 20 0 DHADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)C[C@@H]1CCCCO1 ZINC000680637635 1016703930 /nfs/dbraw/zinc/70/39/30/1016703930.db2.gz PLESSTOWLCDLMZ-IBGZPJMESA-N 1 3 308.510 3.722 20 0 DHADHO COc1ccc([C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623344688 1016975117 /nfs/dbraw/zinc/97/51/17/1016975117.db2.gz ZIVHMVPCGLRFJM-FUHWJXTLSA-N 1 3 302.462 3.609 20 0 DHADHO COc1ccc([C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)cc1 ZINC000623344688 1016975121 /nfs/dbraw/zinc/97/51/21/1016975121.db2.gz ZIVHMVPCGLRFJM-FUHWJXTLSA-N 1 3 302.462 3.609 20 0 DHADHO CCCOc1cccc(CN2CCCC23CC[NH+](C)CC3)c1 ZINC000475129051 1016981719 /nfs/dbraw/zinc/98/17/19/1016981719.db2.gz IQZMCVWMHLIXGB-UHFFFAOYSA-N 1 3 302.462 3.536 20 0 DHADHO CCCOc1cccc(C[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC000475129051 1016981734 /nfs/dbraw/zinc/98/17/34/1016981734.db2.gz IQZMCVWMHLIXGB-UHFFFAOYSA-N 1 3 302.462 3.536 20 0 DHADHO CCCOc1cccc(C[N@H+]2CCCC23CCN(C)CC3)c1 ZINC000475129051 1016981745 /nfs/dbraw/zinc/98/17/45/1016981745.db2.gz IQZMCVWMHLIXGB-UHFFFAOYSA-N 1 3 302.462 3.536 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCCC12CCN(C)CC2 ZINC000475122979 1016985451 /nfs/dbraw/zinc/98/54/51/1016985451.db2.gz VUYVKUZFVLSALC-INIZCTEOSA-N 1 3 304.453 3.707 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@H+]1CCCC12CCN(C)CC2 ZINC000475122979 1016985457 /nfs/dbraw/zinc/98/54/57/1016985457.db2.gz VUYVKUZFVLSALC-INIZCTEOSA-N 1 3 304.453 3.707 20 0 DHADHO CN1CC[C@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)CC1(C)C ZINC000623374679 1017007598 /nfs/dbraw/zinc/00/75/98/1017007598.db2.gz KXUAJXYRSUZBHW-WFASDCNBSA-N 1 3 308.853 3.626 20 0 DHADHO C[C@@H](CCNCc1cccc2n[nH]cc21)[N@H+](C)Cc1ccccc1 ZINC000623438331 1017039839 /nfs/dbraw/zinc/03/98/39/1017039839.db2.gz VYYCNDPHDOMFRZ-INIZCTEOSA-N 1 3 322.456 3.563 20 0 DHADHO C[C@@H](CCNCc1cccc2n[nH]cc21)[N@@H+](C)Cc1ccccc1 ZINC000623438331 1017039848 /nfs/dbraw/zinc/03/98/48/1017039848.db2.gz VYYCNDPHDOMFRZ-INIZCTEOSA-N 1 3 322.456 3.563 20 0 DHADHO COc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CCC2)cc1 ZINC000897080075 1017043220 /nfs/dbraw/zinc/04/32/20/1017043220.db2.gz POPXWEJVXHNUCQ-DLZDZTESSA-N 1 3 314.473 3.751 20 0 DHADHO COc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CCC2)cc1 ZINC000897080075 1017043229 /nfs/dbraw/zinc/04/32/29/1017043229.db2.gz POPXWEJVXHNUCQ-DLZDZTESSA-N 1 3 314.473 3.751 20 0 DHADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001168057788 1017046217 /nfs/dbraw/zinc/04/62/17/1017046217.db2.gz NTXYTSLHTUMTAA-KWXDATOUSA-N 1 3 316.489 3.537 20 0 DHADHO C[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001168057788 1017046227 /nfs/dbraw/zinc/04/62/27/1017046227.db2.gz NTXYTSLHTUMTAA-KWXDATOUSA-N 1 3 316.489 3.537 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623440399 1017047264 /nfs/dbraw/zinc/04/72/64/1017047264.db2.gz ULNWOBNCAWUWHB-HUUCEWRRSA-N 1 3 324.896 3.960 20 0 DHADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccccc1Cl ZINC000623440399 1017047272 /nfs/dbraw/zinc/04/72/72/1017047272.db2.gz ULNWOBNCAWUWHB-HUUCEWRRSA-N 1 3 324.896 3.960 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)CC1(C)C ZINC000623436169 1017047417 /nfs/dbraw/zinc/04/74/17/1017047417.db2.gz HHOQYCOLWVLXBP-IBGZPJMESA-N 1 3 309.457 3.711 20 0 DHADHO C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccc(Cl)cc1 ZINC000623435717 1017048771 /nfs/dbraw/zinc/04/87/71/1017048771.db2.gz PWQWPJMAPXILJN-DZGCQCFKSA-N 1 3 310.869 3.570 20 0 DHADHO C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccc(Cl)cc1 ZINC000623435717 1017048783 /nfs/dbraw/zinc/04/87/83/1017048783.db2.gz PWQWPJMAPXILJN-DZGCQCFKSA-N 1 3 310.869 3.570 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000120420147 1032367556 /nfs/dbraw/zinc/36/75/56/1032367556.db2.gz OEIOZTQSWJBGNI-CQSZACIVSA-N 1 3 312.404 3.815 20 0 DHADHO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477907392 1033362740 /nfs/dbraw/zinc/36/27/40/1033362740.db2.gz ALIGOWXTPWLJOF-INIZCTEOSA-N 1 3 304.478 3.858 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cccn2CCC(C)C)[C@@H](C)C1 ZINC000537635193 1032424118 /nfs/dbraw/zinc/42/41/18/1032424118.db2.gz VZEFPESKIBOPLY-HKUYNNGSSA-N 1 3 305.510 3.696 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cccn2CCC(C)C)[C@@H](C)C1 ZINC000537635193 1032424122 /nfs/dbraw/zinc/42/41/22/1032424122.db2.gz VZEFPESKIBOPLY-HKUYNNGSSA-N 1 3 305.510 3.696 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000121228842 1032428127 /nfs/dbraw/zinc/42/81/27/1032428127.db2.gz RQDBJKJVNZVEEH-OLZOCXBDSA-N 1 3 316.367 3.578 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000121228842 1032428132 /nfs/dbraw/zinc/42/81/32/1032428132.db2.gz RQDBJKJVNZVEEH-OLZOCXBDSA-N 1 3 316.367 3.578 20 0 DHADHO NCCC[N@H+](C1CCCCC1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171338631 1032445345 /nfs/dbraw/zinc/44/53/45/1032445345.db2.gz WVGNHQHFSKKAKS-KRWDZBQOSA-N 1 3 322.443 3.806 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171338631 1032445349 /nfs/dbraw/zinc/44/53/49/1032445349.db2.gz WVGNHQHFSKKAKS-KRWDZBQOSA-N 1 3 322.443 3.806 20 0 DHADHO CN1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC1(C)C ZINC000623496358 1017080681 /nfs/dbraw/zinc/08/06/81/1017080681.db2.gz RXGRMNIYHOXPTJ-GJZGRUSLSA-N 1 3 314.395 3.795 20 0 DHADHO CCCOc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c(C)c1 ZINC000623504909 1017083022 /nfs/dbraw/zinc/08/30/22/1017083022.db2.gz DZMIPMUAQVKEHX-KRWDZBQOSA-N 1 3 304.478 3.746 20 0 DHADHO FC(F)C1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000475216898 1017086243 /nfs/dbraw/zinc/08/62/43/1017086243.db2.gz VABBEHPNMQXDNX-IXDOHACOSA-N 1 3 320.427 3.532 20 0 DHADHO COc1cc([C@H](C)NCCCCC[NH+]2CCCCC2)c(F)cn1 ZINC000348123547 1032467708 /nfs/dbraw/zinc/46/77/08/1032467708.db2.gz UPZMPCLJNVAVRK-HNNXBMFYSA-N 1 3 323.456 3.536 20 0 DHADHO COc1cc([C@@H](C)NCCCCC[NH+]2CCCCC2)c(F)cn1 ZINC000348123548 1032468613 /nfs/dbraw/zinc/46/86/13/1032468613.db2.gz UPZMPCLJNVAVRK-OAHLLOKOSA-N 1 3 323.456 3.536 20 0 DHADHO C[N@H+](CCCCNCc1c(F)ccc(F)c1Cl)C1CC1 ZINC000623544810 1017096445 /nfs/dbraw/zinc/09/64/45/1017096445.db2.gz MDIPQYLVSCRYOR-UHFFFAOYSA-N 1 3 302.796 3.582 20 0 DHADHO C[N@@H+](CCCCNCc1c(F)ccc(F)c1Cl)C1CC1 ZINC000623544810 1017096459 /nfs/dbraw/zinc/09/64/59/1017096459.db2.gz MDIPQYLVSCRYOR-UHFFFAOYSA-N 1 3 302.796 3.582 20 0 DHADHO CC(C)COc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000122842298 1032573941 /nfs/dbraw/zinc/57/39/41/1032573941.db2.gz BBPNPDGKYLVWRQ-INIZCTEOSA-N 1 3 316.489 3.999 20 0 DHADHO CC[C@H](CN1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000537647438 1032577362 /nfs/dbraw/zinc/57/73/62/1032577362.db2.gz GVPBWULXTDTWBH-RTBURBONSA-N 1 3 300.490 3.844 20 0 DHADHO CC[C@H](CN1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000537647438 1032577369 /nfs/dbraw/zinc/57/73/69/1032577369.db2.gz GVPBWULXTDTWBH-RTBURBONSA-N 1 3 300.490 3.844 20 0 DHADHO [NH3+]C[C@@H]1CC[C@@H](N[C@@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000643542726 1012038747 /nfs/dbraw/zinc/03/87/47/1012038747.db2.gz KDHOPVIWFDVMLW-WIBUTAKZSA-N 1 3 321.424 3.634 20 0 DHADHO C[C@H]1CC[C@H](C[NH3+])CN1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761336 1012074099 /nfs/dbraw/zinc/07/40/99/1012074099.db2.gz WYWZTEURHZGIJN-GXTWGEPZSA-N 1 3 315.288 3.985 20 0 DHADHO C[C@H]1CC[C@H](CN)C[N@@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761336 1012074111 /nfs/dbraw/zinc/07/41/11/1012074111.db2.gz WYWZTEURHZGIJN-GXTWGEPZSA-N 1 3 315.288 3.985 20 0 DHADHO C[C@H]1CC[C@H](CN)C[N@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001206761336 1012074131 /nfs/dbraw/zinc/07/41/31/1012074131.db2.gz WYWZTEURHZGIJN-GXTWGEPZSA-N 1 3 315.288 3.985 20 0 DHADHO Cc1ccc(OCCCN(C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000514005277 1012247253 /nfs/dbraw/zinc/24/72/53/1012247253.db2.gz GEIRZRVYMWFYKR-UHFFFAOYSA-N 1 3 318.505 3.877 20 0 DHADHO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000425376720 1012509269 /nfs/dbraw/zinc/50/92/69/1012509269.db2.gz FQBPDMWOGJARNA-GBESFXJTSA-N 1 3 318.530 3.772 20 0 DHADHO Cc1nc(-c2ccc(CCN[C@@H]3CCC[C@@H]([NH3+])C3)s2)cs1 ZINC000515497930 1012637180 /nfs/dbraw/zinc/63/71/80/1012637180.db2.gz CRUIECBZDDIKPG-CHWSQXEVSA-N 1 3 321.515 3.582 20 0 DHADHO C[C@H](CCC[NH3+])NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000516632346 1012807548 /nfs/dbraw/zinc/80/75/48/1012807548.db2.gz UZHGUKQPXUJKRM-LLVKDONJSA-N 1 3 309.866 3.681 20 0 DHADHO COc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC000289614941 1012846131 /nfs/dbraw/zinc/84/61/31/1012846131.db2.gz LJUJQPQOOWLHSD-JWTNVVGKSA-N 1 3 324.468 3.905 20 0 DHADHO COc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC000289614941 1012846145 /nfs/dbraw/zinc/84/61/45/1012846145.db2.gz LJUJQPQOOWLHSD-JWTNVVGKSA-N 1 3 324.468 3.905 20 0 DHADHO C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000366678738 1012920795 /nfs/dbraw/zinc/92/07/95/1012920795.db2.gz MVDWLTWLKBRJBS-SJORKVTESA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1)CN(C)C ZINC000425941988 1012981648 /nfs/dbraw/zinc/98/16/48/1012981648.db2.gz DEWKXILVCNVLTM-CHWSQXEVSA-N 1 3 316.461 3.892 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)CN(C)C ZINC000425942731 1012987589 /nfs/dbraw/zinc/98/75/89/1012987589.db2.gz GLUIXFWFRDFTHP-MEBBXXQBSA-N 1 3 301.261 3.768 20 0 DHADHO CN1CC[C@@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1(C)C ZINC000623559691 1017109756 /nfs/dbraw/zinc/10/97/56/1017109756.db2.gz JVYDXAIIHLQGSF-ZBFHGGJFSA-N 1 3 320.452 3.890 20 0 DHADHO Clc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000716335668 1032695450 /nfs/dbraw/zinc/69/54/50/1032695450.db2.gz RIIBJJWPZUGMHM-KGLIPLIRSA-N 1 3 313.272 3.752 20 0 DHADHO Clc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000716335668 1032695457 /nfs/dbraw/zinc/69/54/57/1032695457.db2.gz RIIBJJWPZUGMHM-KGLIPLIRSA-N 1 3 313.272 3.752 20 0 DHADHO Cc1nccn1CCCCN(CC[NH+]1CCCCCC1)C(C)C ZINC000347337109 1017506552 /nfs/dbraw/zinc/50/65/52/1017506552.db2.gz LBRHZXFAYBNBRL-UHFFFAOYSA-N 1 3 320.525 3.558 20 0 DHADHO CSCC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716685097 1032703872 /nfs/dbraw/zinc/70/38/72/1032703872.db2.gz WZLNOWKQKAQGSP-BVBHFADKSA-N 1 3 318.530 3.771 20 0 DHADHO Cc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)o1 ZINC000716673280 1032703986 /nfs/dbraw/zinc/70/39/86/1032703986.db2.gz NZCWEFQOMVCKOD-ZCNNSNEGSA-N 1 3 324.468 3.773 20 0 DHADHO Cc1ccc(CCN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)o1 ZINC000716673280 1032704000 /nfs/dbraw/zinc/70/40/00/1032704000.db2.gz NZCWEFQOMVCKOD-ZCNNSNEGSA-N 1 3 324.468 3.773 20 0 DHADHO Cc1ccc(CCN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)o1 ZINC000716673280 1032704014 /nfs/dbraw/zinc/70/40/14/1032704014.db2.gz NZCWEFQOMVCKOD-ZCNNSNEGSA-N 1 3 324.468 3.773 20 0 DHADHO C[C@@H]1CCCC[C@H]1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613848 1017582694 /nfs/dbraw/zinc/58/26/94/1017582694.db2.gz TYVYUHNXFNOKTN-XLIONFOSSA-N 1 3 315.505 3.710 20 0 DHADHO C[C@@H]1CN(CCC[NH+]2CCCCC2)CC[C@@H]1c1ccccc1 ZINC000444598770 1017590444 /nfs/dbraw/zinc/59/04/44/1017590444.db2.gz PLZNPWCWABXWMC-QUCCMNQESA-N 1 3 300.490 3.988 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454595 1032713890 /nfs/dbraw/zinc/71/38/90/1032713890.db2.gz VJIJJSIUHTXPCM-PBHICJAKSA-N 1 3 322.443 3.676 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1Cl ZINC000624120573 1017691830 /nfs/dbraw/zinc/69/18/30/1017691830.db2.gz BTPFQHHCLKGFTE-ZIAGYGMSSA-N 1 3 310.869 3.731 20 0 DHADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123655 1017694986 /nfs/dbraw/zinc/69/49/86/1017694986.db2.gz PVZWJYUNSFAXFS-GJZGRUSLSA-N 1 3 310.432 3.607 20 0 DHADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(Br)cc1 ZINC000181133303 1017726501 /nfs/dbraw/zinc/72/65/01/1017726501.db2.gz CJZZCIOPVLPDQJ-IUODEOHRSA-N 1 3 311.267 3.584 20 0 DHADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C12CCC2 ZINC000181626507 1017776052 /nfs/dbraw/zinc/77/60/52/1017776052.db2.gz XRUYRWJBPGIVPL-RTBURBONSA-N 1 3 320.521 3.578 20 0 DHADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](CC3CCCC3)CC2)C12CCC2 ZINC000181626507 1017776089 /nfs/dbraw/zinc/77/60/89/1017776089.db2.gz XRUYRWJBPGIVPL-RTBURBONSA-N 1 3 320.521 3.578 20 0 DHADHO COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000183059770 1017988804 /nfs/dbraw/zinc/98/88/04/1017988804.db2.gz YQRMPRDWASXXJH-KRWDZBQOSA-N 1 3 324.468 3.794 20 0 DHADHO Cc1ccc(-c2cc(C[N@@H+](C)[C@@H]3CCN(C)[C@H](C)C3)on2)cc1 ZINC000123762965 1018114575 /nfs/dbraw/zinc/11/45/75/1018114575.db2.gz RCICKZJPNUIYCE-NVXWUHKLSA-N 1 3 313.445 3.565 20 0 DHADHO Cc1ccc(-c2cc(C[N@H+](C)[C@@H]3CCN(C)[C@H](C)C3)on2)cc1 ZINC000123762965 1018114581 /nfs/dbraw/zinc/11/45/81/1018114581.db2.gz RCICKZJPNUIYCE-NVXWUHKLSA-N 1 3 313.445 3.565 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cc(Br)cs1 ZINC000194034593 1018171464 /nfs/dbraw/zinc/17/14/64/1018171464.db2.gz CEIFYWWRWHVZKD-GHMZBOCLSA-N 1 3 317.296 3.503 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cc(Br)cs1 ZINC000194034593 1018171470 /nfs/dbraw/zinc/17/14/70/1018171470.db2.gz CEIFYWWRWHVZKD-GHMZBOCLSA-N 1 3 317.296 3.503 20 0 DHADHO Cc1cccc(C)c1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381517219 1018262879 /nfs/dbraw/zinc/26/28/79/1018262879.db2.gz RPCUZFABOUVHES-HXUWFJFHSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1cccc(C)c1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381517219 1018262885 /nfs/dbraw/zinc/26/28/85/1018262885.db2.gz RPCUZFABOUVHES-HXUWFJFHSA-N 1 3 308.469 3.915 20 0 DHADHO c1ccc(CC[NH2+]C2CCN(CC3CCCCC3)CC2)cc1 ZINC000764544587 1018310936 /nfs/dbraw/zinc/31/09/36/1018310936.db2.gz LMCISHDMQHILAG-UHFFFAOYSA-N 1 3 300.490 3.863 20 0 DHADHO c1ccc(CCNC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000764544587 1018310942 /nfs/dbraw/zinc/31/09/42/1018310942.db2.gz LMCISHDMQHILAG-UHFFFAOYSA-N 1 3 300.490 3.863 20 0 DHADHO Clc1cccc2c1SCC[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000152470017 1032761321 /nfs/dbraw/zinc/76/13/21/1032761321.db2.gz FAOQZRNFPDXHKG-MLGOLLRUSA-N 1 3 322.905 3.951 20 0 DHADHO c1cc2cccc(CNC[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2[nH]1 ZINC000383427452 1018402669 /nfs/dbraw/zinc/40/26/69/1018402669.db2.gz CMZMUNXTLGPEEZ-SFHVURJKSA-N 1 3 319.452 3.780 20 0 DHADHO c1cc2cccc(CNC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2[nH]1 ZINC000383427452 1018402673 /nfs/dbraw/zinc/40/26/73/1018402673.db2.gz CMZMUNXTLGPEEZ-SFHVURJKSA-N 1 3 319.452 3.780 20 0 DHADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1cc2n(n1)CCCC2 ZINC000647288825 1018405972 /nfs/dbraw/zinc/40/59/72/1018405972.db2.gz QKYZBTTZPULCNF-QGZVFWFLSA-N 1 3 318.509 3.526 20 0 DHADHO Fc1ccccc1C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000383652153 1018424959 /nfs/dbraw/zinc/42/49/59/1018424959.db2.gz JNSIBYUEWRHXAF-UYAOXDASSA-N 1 3 324.443 3.780 20 0 DHADHO Fc1ccccc1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000383652153 1018424968 /nfs/dbraw/zinc/42/49/68/1018424968.db2.gz JNSIBYUEWRHXAF-UYAOXDASSA-N 1 3 324.443 3.780 20 0 DHADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1nc2c(s1)CCCC2 ZINC000447566563 1018427787 /nfs/dbraw/zinc/42/77/87/1018427787.db2.gz UQGNUYGHIUQOSA-ZDUSSCGKSA-N 1 3 319.518 3.547 20 0 DHADHO C[C@@H](CCN1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000447730880 1018460419 /nfs/dbraw/zinc/46/04/19/1018460419.db2.gz LQLQDIBUOBNLOQ-PKOBYXMFSA-N 1 3 300.490 3.844 20 0 DHADHO C[C@@H](CCN1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000447730880 1018460426 /nfs/dbraw/zinc/46/04/26/1018460426.db2.gz LQLQDIBUOBNLOQ-PKOBYXMFSA-N 1 3 300.490 3.844 20 0 DHADHO CCC[NH+]1CCC(N[C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000675733557 1018565490 /nfs/dbraw/zinc/56/54/90/1018565490.db2.gz AZXGNOGIUMPUGG-KUHUBIRLSA-N 1 3 304.453 3.913 20 0 DHADHO CC[C@H](Cc1cccs1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000675784590 1018590399 /nfs/dbraw/zinc/59/03/99/1018590399.db2.gz ZHGJUMQAEFVDJV-YESZJQIVSA-N 1 3 324.534 3.548 20 0 DHADHO CC[NH+]1CCC(N[C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000675812096 1018599917 /nfs/dbraw/zinc/59/99/17/1018599917.db2.gz HIGBSVDYIGCYCV-IBGZPJMESA-N 1 3 301.478 3.777 20 0 DHADHO Cc1ccccc1C1([NH2+][C@H](C)c2ccc(CN)nc2C)CCC1 ZINC000650740732 1018630799 /nfs/dbraw/zinc/63/07/99/1018630799.db2.gz PKLKCYMGFCIDNJ-MRXNPFEDSA-N 1 3 309.457 3.887 20 0 DHADHO Cc1cccc2c1CC[C@@H]([NH+]1CCC(N3CCCCC3)CC1)C2 ZINC001171563057 1032784616 /nfs/dbraw/zinc/78/46/16/1032784616.db2.gz CSSXGCDXXGBEEE-HXUWFJFHSA-N 1 3 312.501 3.803 20 0 DHADHO CCCC[NH+]1CCC(Nc2ccnc3cc(OC)ccc32)CC1 ZINC000765478155 1018801750 /nfs/dbraw/zinc/80/17/50/1018801750.db2.gz BWUDTEKFHAVQPM-UHFFFAOYSA-N 1 3 313.445 3.920 20 0 DHADHO Clc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000676712476 1018816230 /nfs/dbraw/zinc/81/62/30/1018816230.db2.gz HVZOUFKXNKNPDH-MAUKXSAKSA-N 1 3 304.865 3.789 20 0 DHADHO Clc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000676712476 1018816252 /nfs/dbraw/zinc/81/62/52/1018816252.db2.gz HVZOUFKXNKNPDH-MAUKXSAKSA-N 1 3 304.865 3.789 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccnc(-c3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000624267483 1018826496 /nfs/dbraw/zinc/82/64/96/1018826496.db2.gz OIUVPRUNGOGPFZ-DYXWJJEUSA-N 1 3 321.468 3.711 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccnc(-c3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000624267483 1018826515 /nfs/dbraw/zinc/82/65/15/1018826515.db2.gz OIUVPRUNGOGPFZ-DYXWJJEUSA-N 1 3 321.468 3.711 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000624267483 1018826531 /nfs/dbraw/zinc/82/65/31/1018826531.db2.gz OIUVPRUNGOGPFZ-DYXWJJEUSA-N 1 3 321.468 3.711 20 0 DHADHO C[NH+]1C(C)(C)CC(N2CC[C@](CF)(C(F)(F)F)C2)CC1(C)C ZINC001171631474 1032794464 /nfs/dbraw/zinc/79/44/64/1032794464.db2.gz IYPOXBBYGRQTOC-OAHLLOKOSA-N 1 3 324.406 3.862 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1(C)C ZINC001171631474 1032794479 /nfs/dbraw/zinc/79/44/79/1032794479.db2.gz IYPOXBBYGRQTOC-OAHLLOKOSA-N 1 3 324.406 3.862 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1(C)C ZINC001171631474 1032794497 /nfs/dbraw/zinc/79/44/97/1032794497.db2.gz IYPOXBBYGRQTOC-OAHLLOKOSA-N 1 3 324.406 3.862 20 0 DHADHO Cc1cccc(C2(CNC3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)n1 ZINC001171630621 1032795201 /nfs/dbraw/zinc/79/52/01/1032795201.db2.gz QWNGINYQPADESM-UHFFFAOYSA-N 1 3 315.505 3.663 20 0 DHADHO CC[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000129009446 1018937500 /nfs/dbraw/zinc/93/75/00/1018937500.db2.gz MOFLPOMPHLWXIL-GJZGRUSLSA-N 1 3 311.267 3.632 20 0 DHADHO CC(C)COc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000386977702 1019037045 /nfs/dbraw/zinc/03/70/45/1019037045.db2.gz YTNSJPIQPBKKFB-KRWDZBQOSA-N 1 3 304.478 3.858 20 0 DHADHO Cc1csc([C@H]2CCCCN2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923324317 1019131110 /nfs/dbraw/zinc/13/11/10/1019131110.db2.gz STAQKDSJYIAIPJ-NPYXIHBLSA-N 1 3 319.518 3.899 20 0 DHADHO [NH3+]CC[C@H]1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000923483196 1019232023 /nfs/dbraw/zinc/23/20/23/1019232023.db2.gz NIBHQWGBVRATMT-LBPRGKRZSA-N 1 3 321.877 3.634 20 0 DHADHO COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)c(C)c1OC ZINC000347679324 1019285241 /nfs/dbraw/zinc/28/52/41/1019285241.db2.gz NLOMGNBZXQYJCY-CVEARBPZSA-N 1 3 320.477 3.537 20 0 DHADHO Cc1ccc(CC[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001171666317 1032824074 /nfs/dbraw/zinc/82/40/74/1032824074.db2.gz VYFLBPHMVYNEPD-GOSISDBHSA-N 1 3 309.457 3.533 20 0 DHADHO Cc1ccc(CC[C@@H](C)[NH+]2CCN(c3ccncc3)CC2)cc1 ZINC001171666317 1032824080 /nfs/dbraw/zinc/82/40/80/1032824080.db2.gz VYFLBPHMVYNEPD-GOSISDBHSA-N 1 3 309.457 3.533 20 0 DHADHO CC(C)CCn1cccc1CNCc1cccc(C[NH+](C)C)c1 ZINC000161584881 1019388404 /nfs/dbraw/zinc/38/84/04/1019388404.db2.gz QJUPGZSZYOYXES-UHFFFAOYSA-N 1 3 313.489 3.886 20 0 DHADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000166254853 1019670149 /nfs/dbraw/zinc/67/01/49/1019670149.db2.gz ASOZOMFLVXVPMM-DLBZAZTESA-N 1 3 306.881 3.834 20 0 DHADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000166254853 1019670156 /nfs/dbraw/zinc/67/01/56/1019670156.db2.gz ASOZOMFLVXVPMM-DLBZAZTESA-N 1 3 306.881 3.834 20 0 DHADHO CCc1cccc2cc(C[NH2+]C3CCN(C(C)C)CC3)oc21 ZINC000657294185 1019704628 /nfs/dbraw/zinc/70/46/28/1019704628.db2.gz HSWOSKJNLLKUST-UHFFFAOYSA-N 1 3 300.446 3.958 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000685455248 1019837262 /nfs/dbraw/zinc/83/72/62/1019837262.db2.gz UJEFLWPWJJYJRU-VAMGGRTRSA-N 1 3 300.490 3.718 20 0 DHADHO Cc1cc(Cl)ccc1OCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166295881 1019892491 /nfs/dbraw/zinc/89/24/91/1019892491.db2.gz ZDGORQZJBQOBBC-DLBZAZTESA-N 1 3 322.880 3.634 20 0 DHADHO Cc1cc(Cl)ccc1OCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166295881 1019892505 /nfs/dbraw/zinc/89/25/05/1019892505.db2.gz ZDGORQZJBQOBBC-DLBZAZTESA-N 1 3 322.880 3.634 20 0 DHADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165281 1020200170 /nfs/dbraw/zinc/20/01/70/1020200170.db2.gz HYRYCDOKRZFVDT-IAGOWNOFSA-N 1 3 315.505 3.708 20 0 DHADHO COc1ccc2ccccc2c1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922682745 1020207728 /nfs/dbraw/zinc/20/77/28/1020207728.db2.gz AYLDNJODXGQANG-ROUUACIJSA-N 1 3 324.468 3.607 20 0 DHADHO COc1ccc2ccccc2c1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922682745 1020207733 /nfs/dbraw/zinc/20/77/33/1020207733.db2.gz AYLDNJODXGQANG-ROUUACIJSA-N 1 3 324.468 3.607 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCCc3ccco3)CC2)C1 ZINC000658327007 1020303141 /nfs/dbraw/zinc/30/31/41/1020303141.db2.gz MEWMORXUUNEBOK-AEFFLSMTSA-N 1 3 304.478 3.845 20 0 DHADHO CN1CCCC[C@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000623657809 1020342425 /nfs/dbraw/zinc/34/24/25/1020342425.db2.gz ZMEAFSYIROQURT-ZBFHGGJFSA-N 1 3 306.881 3.519 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000623656886 1020343139 /nfs/dbraw/zinc/34/31/39/1020343139.db2.gz DOYFDWMQMCQSLZ-SFHVURJKSA-N 1 3 309.457 3.570 20 0 DHADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000166392038 1020348577 /nfs/dbraw/zinc/34/85/77/1020348577.db2.gz PXICUGSGMQDIEC-DLBZAZTESA-N 1 3 306.881 3.834 20 0 DHADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000166392038 1020348588 /nfs/dbraw/zinc/34/85/88/1020348588.db2.gz PXICUGSGMQDIEC-DLBZAZTESA-N 1 3 306.881 3.834 20 0 DHADHO Cc1cc([C@H](C)NCc2ccc(F)c(CN(C)C)c2)oc1C ZINC000282289241 1020428281 /nfs/dbraw/zinc/42/82/81/1020428281.db2.gz SBFCWMQYRKDRIA-ZDUSSCGKSA-N 1 3 304.409 3.948 20 0 DHADHO Cc1cc([C@H](C)NCc2ccc(F)c(C[NH+](C)C)c2)oc1C ZINC000282289241 1020428293 /nfs/dbraw/zinc/42/82/93/1020428293.db2.gz SBFCWMQYRKDRIA-ZDUSSCGKSA-N 1 3 304.409 3.948 20 0 DHADHO Cc1cc([C@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)oc1C ZINC000282289241 1020428298 /nfs/dbraw/zinc/42/82/98/1020428298.db2.gz SBFCWMQYRKDRIA-ZDUSSCGKSA-N 1 3 304.409 3.948 20 0 DHADHO CC[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858490709 1032917161 /nfs/dbraw/zinc/91/71/61/1032917161.db2.gz MKBXZBJBFXQALF-APWZRJJASA-N 1 3 316.489 3.784 20 0 DHADHO CC[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858490709 1032917166 /nfs/dbraw/zinc/91/71/66/1032917166.db2.gz MKBXZBJBFXQALF-APWZRJJASA-N 1 3 316.489 3.784 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2c(c1)CCCO2 ZINC000858490709 1032917184 /nfs/dbraw/zinc/91/71/84/1032917184.db2.gz MKBXZBJBFXQALF-APWZRJJASA-N 1 3 316.489 3.784 20 0 DHADHO COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1C ZINC000858491159 1032917490 /nfs/dbraw/zinc/91/74/90/1032917490.db2.gz ZHEIHAHYMAMUJC-IRXDYDNUSA-N 1 3 304.478 3.695 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CCCC1 ZINC001171957684 1032922213 /nfs/dbraw/zinc/92/22/13/1032922213.db2.gz ABMZUKHECFEENI-CQSZACIVSA-N 1 3 314.395 3.712 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@@H]1CCCN1C ZINC001171960445 1032929064 /nfs/dbraw/zinc/92/90/64/1032929064.db2.gz ZOQRNUOYVADPAV-CJNGLKHVSA-N 1 3 314.395 3.710 20 0 DHADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)CS1 ZINC000668817875 1020956625 /nfs/dbraw/zinc/95/66/25/1020956625.db2.gz BKDZOJYKXXZPIC-IKGGRYGDSA-N 1 3 310.551 3.618 20 0 DHADHO CC1(C)C[C@@H](NCCc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000716334263 1021011854 /nfs/dbraw/zinc/01/18/54/1021011854.db2.gz JFVJWZGQJKORPP-LBPRGKRZSA-N 1 3 301.261 3.656 20 0 DHADHO CC1(C)C[C@@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)CCN1 ZINC000716334263 1021011857 /nfs/dbraw/zinc/01/18/57/1021011857.db2.gz JFVJWZGQJKORPP-LBPRGKRZSA-N 1 3 301.261 3.656 20 0 DHADHO Fc1cccc(F)c1C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000414237903 1021022882 /nfs/dbraw/zinc/02/28/82/1021022882.db2.gz LVHKFSYSVYGEIF-HUUCEWRRSA-N 1 3 320.427 3.603 20 0 DHADHO Fc1cccc(F)c1C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000414237903 1021022889 /nfs/dbraw/zinc/02/28/89/1021022889.db2.gz LVHKFSYSVYGEIF-HUUCEWRRSA-N 1 3 320.427 3.603 20 0 DHADHO CN([C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)[C@H]1CCCOC1 ZINC001171989794 1032949482 /nfs/dbraw/zinc/94/94/82/1032949482.db2.gz GMGURTNMYMZSPP-MOPGFXCFSA-N 1 3 316.489 3.540 20 0 DHADHO CN([C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@H]1CCCOC1 ZINC001171989794 1032949490 /nfs/dbraw/zinc/94/94/90/1032949490.db2.gz GMGURTNMYMZSPP-MOPGFXCFSA-N 1 3 316.489 3.540 20 0 DHADHO COC1([C@H](C)NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000414308956 1021081217 /nfs/dbraw/zinc/08/12/17/1021081217.db2.gz QWZVHUWJSRRCOU-BQFCYCMXSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000414341602 1021111119 /nfs/dbraw/zinc/11/11/19/1021111119.db2.gz OMJOKIKBBBPWGY-QXCFHYIPSA-N 1 3 310.441 3.778 20 0 DHADHO C[C@@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000414341602 1021111122 /nfs/dbraw/zinc/11/11/22/1021111122.db2.gz OMJOKIKBBBPWGY-QXCFHYIPSA-N 1 3 310.441 3.778 20 0 DHADHO COc1cccc2cc(C[NH2+]C3CCN(C4CCC4)CC3)oc21 ZINC000742717526 1021158105 /nfs/dbraw/zinc/15/81/05/1021158105.db2.gz KXLCRXBSQZTKOO-UHFFFAOYSA-N 1 3 314.429 3.548 20 0 DHADHO C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CCC(C(F)(F)F)CC1 ZINC000423323187 1021175100 /nfs/dbraw/zinc/17/51/00/1021175100.db2.gz ACPGPZZFQYNBKD-URGYJCLVSA-N 1 3 306.416 3.723 20 0 DHADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CCC(C(F)(F)F)CC1 ZINC000423323188 1021175363 /nfs/dbraw/zinc/17/53/63/1021175363.db2.gz ACPGPZZFQYNBKD-VXGQWTEUSA-N 1 3 306.416 3.723 20 0 DHADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)c(F)c1 ZINC000423395769 1021194843 /nfs/dbraw/zinc/19/48/43/1021194843.db2.gz RXFICSUUXKXOQO-WCQGTBRESA-N 1 3 315.230 3.509 20 0 DHADHO Cc1cc(Br)cc2c1[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423358637 1021186289 /nfs/dbraw/zinc/18/62/89/1021186289.db2.gz CBMWUDHEDZIAII-RBSFLKMASA-N 1 3 323.278 3.604 20 0 DHADHO C[C@@H]1C[C@H](N[C@H]2CCc3cc(Br)ccc32)CC[N@@H+]1C ZINC000252184166 1021277149 /nfs/dbraw/zinc/27/71/49/1021277149.db2.gz UBGDZCJEMMWINT-XFJVYGCCSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H]1C[C@H](N[C@H]2CCc3cc(Br)ccc32)CC[N@H+]1C ZINC000252184166 1021277159 /nfs/dbraw/zinc/27/71/59/1021277159.db2.gz UBGDZCJEMMWINT-XFJVYGCCSA-N 1 3 323.278 3.509 20 0 DHADHO CCN(C)C[C@H]1CC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743399070 1021283664 /nfs/dbraw/zinc/28/36/64/1021283664.db2.gz KBZLIELRVLRYCJ-OAHLLOKOSA-N 1 3 315.486 3.602 20 0 DHADHO CCN(C)C[C@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743399070 1021283671 /nfs/dbraw/zinc/28/36/71/1021283671.db2.gz KBZLIELRVLRYCJ-OAHLLOKOSA-N 1 3 315.486 3.602 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc2c(c1)CCO2 ZINC000125800417 1032975997 /nfs/dbraw/zinc/97/59/97/1032975997.db2.gz SBBHEAALAJAQIA-QFBILLFUSA-N 1 3 316.489 3.783 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000538059172 1032980725 /nfs/dbraw/zinc/98/07/25/1032980725.db2.gz NTVIBXNHXDDEEG-HNAYVOBHSA-N 1 3 304.453 3.988 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)C2CC2)ccc1OC ZINC000182231109 1021557683 /nfs/dbraw/zinc/55/76/83/1021557683.db2.gz PSYGHDOPIMFKEK-CABCVRRESA-N 1 3 304.478 3.986 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OCC2CC2)[C@H](C)C1 ZINC000093639451 1021638319 /nfs/dbraw/zinc/63/83/19/1021638319.db2.gz IFLCDQNERDOEPQ-APWZRJJASA-N 1 3 316.489 3.638 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OCC2CC2)[C@H](C)C1 ZINC000093639451 1021638327 /nfs/dbraw/zinc/63/83/27/1021638327.db2.gz IFLCDQNERDOEPQ-APWZRJJASA-N 1 3 316.489 3.638 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](c1ccnc(Cl)c1)C1CC1)C2 ZINC001172109266 1033013868 /nfs/dbraw/zinc/01/38/68/1033013868.db2.gz JGXZUDCOSRILRC-DFGXFYAUSA-N 1 3 319.880 3.791 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](c1ccnc(Cl)c1)C1CC1)C2 ZINC001172109266 1033013881 /nfs/dbraw/zinc/01/38/81/1033013881.db2.gz JGXZUDCOSRILRC-DFGXFYAUSA-N 1 3 319.880 3.791 20 0 DHADHO C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001205997036 1022224070 /nfs/dbraw/zinc/22/40/70/1022224070.db2.gz YWEROVLNZDKPFZ-DGCLKSJQSA-N 1 3 301.261 3.800 20 0 DHADHO C[NH+]1CCC2(CCN(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000096088697 1033042807 /nfs/dbraw/zinc/04/28/07/1033042807.db2.gz KHADCMXFXCSAGU-UHFFFAOYSA-N 1 3 312.379 3.623 20 0 DHADHO C[N@H+](CC1CC1)C[C@H]1CCN(CC[C@H]2CCc3ccccc32)C1 ZINC000659974486 1022274496 /nfs/dbraw/zinc/27/44/96/1022274496.db2.gz MWBIYSVPCZBBPM-UYAOXDASSA-N 1 3 312.501 3.770 20 0 DHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CC[C@H]2CCc3ccccc32)C1 ZINC000659974486 1022274509 /nfs/dbraw/zinc/27/45/09/1022274509.db2.gz MWBIYSVPCZBBPM-UYAOXDASSA-N 1 3 312.501 3.770 20 0 DHADHO C[C@H]1C[C@@H](NCc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268874755 1022387208 /nfs/dbraw/zinc/38/72/08/1022387208.db2.gz VECTUEIPMNOHNG-LPHOPBHVSA-N 1 3 310.441 3.535 20 0 DHADHO C[C@H]1C[C@@H](NCc2ccc(O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268874755 1022387230 /nfs/dbraw/zinc/38/72/30/1022387230.db2.gz VECTUEIPMNOHNG-LPHOPBHVSA-N 1 3 310.441 3.535 20 0 DHADHO Cc1csc(CCCC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)n1 ZINC000925567823 1022533992 /nfs/dbraw/zinc/53/39/92/1022533992.db2.gz QFECUYPFYGZOKX-IRXDYDNUSA-N 1 3 321.534 3.532 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc(Cl)ccc1OC ZINC000158123953 1022604090 /nfs/dbraw/zinc/60/40/90/1022604090.db2.gz BJQMHVIENMWCLG-BBRMVZONSA-N 1 3 310.869 3.731 20 0 DHADHO COc1cccc(CCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000158939075 1022675908 /nfs/dbraw/zinc/67/59/08/1022675908.db2.gz LTJBDEJNIJXFBS-UHFFFAOYSA-N 1 3 316.489 3.624 20 0 DHADHO COc1cccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000158939075 1022675911 /nfs/dbraw/zinc/67/59/11/1022675911.db2.gz LTJBDEJNIJXFBS-UHFFFAOYSA-N 1 3 316.489 3.624 20 0 DHADHO CC(C)CCN1CCC([NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000925642366 1022928168 /nfs/dbraw/zinc/92/81/68/1022928168.db2.gz GLDVQLHDTXTHDD-LJQANCHMSA-N 1 3 301.478 3.633 20 0 DHADHO CCCCOc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000414933076 1022940396 /nfs/dbraw/zinc/94/03/96/1022940396.db2.gz WMAGTOFULHWBHZ-SJORKVTESA-N 1 3 320.477 3.624 20 0 DHADHO CCCCOc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000414933066 1022940795 /nfs/dbraw/zinc/94/07/95/1022940795.db2.gz WMAGTOFULHWBHZ-DLBZAZTESA-N 1 3 320.477 3.624 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)C1CCSCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000249870977 1023063623 /nfs/dbraw/zinc/06/36/23/1023063623.db2.gz GEQYQWFORAWPRC-UXLLHSPISA-N 1 3 310.551 3.761 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000089696909 1023097706 /nfs/dbraw/zinc/09/77/06/1023097706.db2.gz OYQBJJGMCVNCHP-MEDUHNTESA-N 1 3 313.272 3.912 20 0 DHADHO COc1cccc2c1CCC[C@@H]2[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000194920224 1023198510 /nfs/dbraw/zinc/19/85/10/1023198510.db2.gz TWAVYXYBZAWBML-SFHVURJKSA-N 1 3 316.489 3.925 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000769876888 1023238783 /nfs/dbraw/zinc/23/87/83/1023238783.db2.gz UXXOUHIJBOPMEW-CABCVRRESA-N 1 3 307.482 3.708 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000769876888 1023238790 /nfs/dbraw/zinc/23/87/90/1023238790.db2.gz UXXOUHIJBOPMEW-CABCVRRESA-N 1 3 307.482 3.708 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000769876534 1023239292 /nfs/dbraw/zinc/23/92/92/1023239292.db2.gz SVEVHYZAJHCCJR-OWCLPIDISA-N 1 3 321.509 3.954 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000769876534 1023239297 /nfs/dbraw/zinc/23/92/97/1023239297.db2.gz SVEVHYZAJHCCJR-OWCLPIDISA-N 1 3 321.509 3.954 20 0 DHADHO ClC1(Cl)C[C@@H]1CCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925701986 1023277272 /nfs/dbraw/zinc/27/72/72/1023277272.db2.gz IYFKLZZFGCLYBX-KKUMJFAQSA-N 1 3 319.320 3.718 20 0 DHADHO CC(C)CCC[C@@H](C)N1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001170070318 1023769751 /nfs/dbraw/zinc/76/97/51/1023769751.db2.gz CWQCKYQONJCBDN-QGZVFWFLSA-N 1 3 303.494 3.632 20 0 DHADHO C[C@@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925731505 1023779005 /nfs/dbraw/zinc/77/90/05/1023779005.db2.gz SXHGGXMRUSEILX-RTXFEEFZSA-N 1 3 315.383 3.657 20 0 DHADHO CCOCC[C@@H](C)N1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001172426871 1033164796 /nfs/dbraw/zinc/16/47/96/1033164796.db2.gz IODBNFSRXMCRKK-MRXNPFEDSA-N 1 3 322.468 3.537 20 0 DHADHO CCOCC[C@@H](C)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001172426871 1033164807 /nfs/dbraw/zinc/16/48/07/1033164807.db2.gz IODBNFSRXMCRKK-MRXNPFEDSA-N 1 3 322.468 3.537 20 0 DHADHO C[N@H+](CCCN)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408355 1023986054 /nfs/dbraw/zinc/98/60/54/1023986054.db2.gz ZYMYPHHVLNUSFE-LSDHHAIUSA-N 1 3 300.368 3.622 20 0 DHADHO C[N@@H+](CCCN)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408355 1023986070 /nfs/dbraw/zinc/98/60/70/1023986070.db2.gz ZYMYPHHVLNUSFE-LSDHHAIUSA-N 1 3 300.368 3.622 20 0 DHADHO CN(CCC[NH3+])[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339408355 1023986088 /nfs/dbraw/zinc/98/60/88/1023986088.db2.gz ZYMYPHHVLNUSFE-LSDHHAIUSA-N 1 3 300.368 3.622 20 0 DHADHO Fc1ccc(CN(Cc2cccc3c2CC[NH2+]C3)C2CC2)cc1 ZINC000662248406 1024029977 /nfs/dbraw/zinc/02/99/77/1024029977.db2.gz APTUYVZPTUPCGS-UHFFFAOYSA-N 1 3 310.416 3.636 20 0 DHADHO Cc1cc(C)c([C@H](C)N2CCO[C@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000662325126 1024107976 /nfs/dbraw/zinc/10/79/76/1024107976.db2.gz IILWBYDLQJUJFE-RBUKOAKNSA-N 1 3 318.505 3.715 20 0 DHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000268883382 1024186711 /nfs/dbraw/zinc/18/67/11/1024186711.db2.gz FPMBPVYXBZMTFN-OAHLLOKOSA-N 1 3 302.462 3.632 20 0 DHADHO Cc1ccncc1CCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000278871214 1024252757 /nfs/dbraw/zinc/25/27/57/1024252757.db2.gz GEWOTLPMEFFXOV-PKOBYXMFSA-N 1 3 315.505 3.565 20 0 DHADHO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000531735964 1024290991 /nfs/dbraw/zinc/29/09/91/1024290991.db2.gz LSXHDCAXCCKONJ-MJQMVNBJSA-N 1 3 318.505 3.991 20 0 DHADHO Clc1cccc([C@H]2C[C@H]2NC2CC[NH+](CC3CC3)CC2)c1 ZINC001168359678 1033204370 /nfs/dbraw/zinc/20/43/70/1033204370.db2.gz FFSGQZZELWZPOL-QZTJIDSGSA-N 1 3 304.865 3.660 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000663465464 1024400014 /nfs/dbraw/zinc/40/00/14/1024400014.db2.gz JZXQFJTVGQNGSP-LMQGHGSNSA-N 1 3 312.501 3.890 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@@H](C)c1ccccc1 ZINC000663467970 1024405497 /nfs/dbraw/zinc/40/54/97/1024405497.db2.gz JCJVDOYKZJKWQB-AOIWGVFYSA-N 1 3 300.490 3.890 20 0 DHADHO C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466969 1024407684 /nfs/dbraw/zinc/40/76/84/1024407684.db2.gz CHAOYEQYYDXMFT-VQIMIIECSA-N 1 3 318.480 3.858 20 0 DHADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466967 1024408676 /nfs/dbraw/zinc/40/86/76/1024408676.db2.gz CHAOYEQYYDXMFT-LPHOPBHVSA-N 1 3 318.480 3.858 20 0 DHADHO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467701 1024414584 /nfs/dbraw/zinc/41/45/84/1024414584.db2.gz HFNYNSRXACWJFA-VQTJNVASSA-N 1 3 300.490 3.719 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453235196 1024418471 /nfs/dbraw/zinc/41/84/71/1024418471.db2.gz TYMBVWNZRCVADP-JCECYMMASA-N 1 3 320.427 3.673 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453235196 1024418481 /nfs/dbraw/zinc/41/84/81/1024418481.db2.gz TYMBVWNZRCVADP-JCECYMMASA-N 1 3 320.427 3.673 20 0 DHADHO CCC[N@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C1CCNCC1 ZINC000883423980 1024433207 /nfs/dbraw/zinc/43/32/07/1024433207.db2.gz AQYKSHJIFPDKJE-VQTJNVASSA-N 1 3 316.489 3.761 20 0 DHADHO CCC[N@@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C1CCNCC1 ZINC000883423980 1024433216 /nfs/dbraw/zinc/43/32/16/1024433216.db2.gz AQYKSHJIFPDKJE-VQTJNVASSA-N 1 3 316.489 3.761 20 0 DHADHO CCCN(C[C@@H]1CCC[C@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883423980 1024433219 /nfs/dbraw/zinc/43/32/19/1024433219.db2.gz AQYKSHJIFPDKJE-VQTJNVASSA-N 1 3 316.489 3.761 20 0 DHADHO CC(C)COCC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001172463358 1033214571 /nfs/dbraw/zinc/21/45/71/1033214571.db2.gz MZGAKDPFNABLQD-QGZVFWFLSA-N 1 3 310.526 3.824 20 0 DHADHO C[N@H+](CCCCNCc1csc(-c2ccsc2)n1)C1CC1 ZINC000453590816 1024546220 /nfs/dbraw/zinc/54/62/20/1024546220.db2.gz BNVXHMMFOOPWBG-UHFFFAOYSA-N 1 3 321.515 3.836 20 0 DHADHO C[N@@H+](CCCCNCc1csc(-c2ccsc2)n1)C1CC1 ZINC000453590816 1024546224 /nfs/dbraw/zinc/54/62/24/1024546224.db2.gz BNVXHMMFOOPWBG-UHFFFAOYSA-N 1 3 321.515 3.836 20 0 DHADHO C[C@@H](NCC[C@@H]1C[NH2+]C[C@H]1C)c1csc(-c2ccccc2)n1 ZINC000925792324 1024558180 /nfs/dbraw/zinc/55/81/80/1024558180.db2.gz FTKAZFXRVFBZDM-IIAWOOMASA-N 1 3 315.486 3.706 20 0 DHADHO Clc1cnc2oc(C[NH2+]C3CCN(C4CCC4)CC3)cc2c1 ZINC000648436412 1024637981 /nfs/dbraw/zinc/63/79/81/1024637981.db2.gz MVNYHVAQVQVRHN-UHFFFAOYSA-N 1 3 319.836 3.588 20 0 DHADHO CC[C@@H]1C[C@H]([N@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001170247737 1024722719 /nfs/dbraw/zinc/72/27/19/1024722719.db2.gz YACBFVAUWAOGLD-RTBURBONSA-N 1 3 308.510 3.673 20 0 DHADHO CC[C@@H]1C[C@H]([N@@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001170247737 1024722726 /nfs/dbraw/zinc/72/27/26/1024722726.db2.gz YACBFVAUWAOGLD-RTBURBONSA-N 1 3 308.510 3.673 20 0 DHADHO CCCCCC[C@@H](CCCC)[NH+]1CCN(CCN(C)C)CC1 ZINC001172513569 1033239827 /nfs/dbraw/zinc/23/98/27/1033239827.db2.gz NUWROBFDMMCYOU-LJQANCHMSA-N 1 3 311.558 3.695 20 0 DHADHO c1ccc(OCCCCCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000187353677 1024999975 /nfs/dbraw/zinc/99/99/75/1024999975.db2.gz YGTWSLPZKUBZGO-IBGZPJMESA-N 1 3 316.489 3.653 20 0 DHADHO CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(F)(F)CC1 ZINC000793351696 1025022675 /nfs/dbraw/zinc/02/26/75/1025022675.db2.gz GBCHTKIZIXETDM-UHFFFAOYSA-N 1 3 310.432 3.876 20 0 DHADHO C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccccc1F ZINC000120813847 1025054738 /nfs/dbraw/zinc/05/47/38/1025054738.db2.gz FXQRVTBJABQYOE-ZDUSSCGKSA-N 1 3 304.384 3.877 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(C)c1 ZINC000353502455 1025089438 /nfs/dbraw/zinc/08/94/38/1025089438.db2.gz LKLYDFXFWPWXJF-NSHGMRRFSA-N 1 3 318.505 3.925 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2conc2C)CC1)CC(C)C ZINC000353518619 1025103222 /nfs/dbraw/zinc/10/32/22/1025103222.db2.gz LFPQVBHCYSQYQA-UHFFFAOYSA-N 1 3 307.482 3.563 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2conc2C)CC1)CC(C)C ZINC000353518619 1025103225 /nfs/dbraw/zinc/10/32/25/1025103225.db2.gz LFPQVBHCYSQYQA-UHFFFAOYSA-N 1 3 307.482 3.563 20 0 DHADHO CSCc1cc(F)ccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353546845 1025117825 /nfs/dbraw/zinc/11/78/25/1025117825.db2.gz WWUQLHSTLVHVRC-KSZLIROESA-N 1 3 322.493 3.651 20 0 DHADHO CSCc1cc(F)ccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353546845 1025117832 /nfs/dbraw/zinc/11/78/32/1025117832.db2.gz WWUQLHSTLVHVRC-KSZLIROESA-N 1 3 322.493 3.651 20 0 DHADHO CSCc1cc(F)ccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000353546845 1025117888 /nfs/dbraw/zinc/11/78/88/1025117888.db2.gz WWUQLHSTLVHVRC-KSZLIROESA-N 1 3 322.493 3.651 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3ccc(F)cc32)[C@@H]2CCC[C@@H]21 ZINC000353585430 1025144008 /nfs/dbraw/zinc/14/40/08/1025144008.db2.gz SMZZPMUQNJJISF-NQYYFHDYSA-N 1 3 302.437 3.666 20 0 DHADHO C[N@H+]1CC[C@H](N[C@@H]2CCCc3ccc(F)cc32)[C@@H]2CCC[C@@H]21 ZINC000353585430 1025144011 /nfs/dbraw/zinc/14/40/11/1025144011.db2.gz SMZZPMUQNJJISF-NQYYFHDYSA-N 1 3 302.437 3.666 20 0 DHADHO COCCCC[C@H](NCC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000348327967 1025182256 /nfs/dbraw/zinc/18/22/56/1025182256.db2.gz UQQBKXHZCALVQA-MOPGFXCFSA-N 1 3 304.478 3.618 20 0 DHADHO COCCCC[C@H](NCC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000348327967 1025182259 /nfs/dbraw/zinc/18/22/59/1025182259.db2.gz UQQBKXHZCALVQA-MOPGFXCFSA-N 1 3 304.478 3.618 20 0 DHADHO COCCCC[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccccc1 ZINC000348327967 1025182263 /nfs/dbraw/zinc/18/22/63/1025182263.db2.gz UQQBKXHZCALVQA-MOPGFXCFSA-N 1 3 304.478 3.618 20 0 DHADHO COc1ccc(-c2ccc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)cc1 ZINC000539087034 1033265640 /nfs/dbraw/zinc/26/56/40/1033265640.db2.gz PUHSVSCOZDAJAA-IIBYNOLFSA-N 1 3 324.468 3.792 20 0 DHADHO COc1ccc(-c2ccc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)cc1 ZINC000539087034 1033265652 /nfs/dbraw/zinc/26/56/52/1033265652.db2.gz PUHSVSCOZDAJAA-IIBYNOLFSA-N 1 3 324.468 3.792 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000040622729 1025241468 /nfs/dbraw/zinc/24/14/68/1025241468.db2.gz VWSAVVJEUANWKZ-MXWWQKGMSA-N 1 3 306.881 3.906 20 0 DHADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000279825965 1025278688 /nfs/dbraw/zinc/27/86/88/1025278688.db2.gz YNIDSVYRQMSLIQ-QAPCUYQASA-N 1 3 304.478 3.615 20 0 DHADHO CC[NH+]1CCC(N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000037878809 1025393999 /nfs/dbraw/zinc/39/39/99/1025393999.db2.gz WURHWCAWFKZMEX-LBPRGKRZSA-N 1 3 311.267 3.584 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885969538 1025424948 /nfs/dbraw/zinc/42/49/48/1025424948.db2.gz VRCVJSFTQBZZRC-ROUUACIJSA-N 1 3 308.510 3.578 20 0 DHADHO CCCN1CCC([NH2+]Cc2oc3ccc(F)cc3c2C)CC1 ZINC000154303652 1025426846 /nfs/dbraw/zinc/42/68/46/1025426846.db2.gz GTSOCDDIUYCHQX-UHFFFAOYSA-N 1 3 304.409 3.844 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000125792119 1025491288 /nfs/dbraw/zinc/49/12/88/1025491288.db2.gz YMEWQOSZNPPPBE-NVXWUHKLSA-N 1 3 304.503 3.934 20 0 DHADHO CC[NH+](CC)C[C@@H]1CCN(CC[C@@H](C)OCc2ccccc2)C1 ZINC000354837482 1025520658 /nfs/dbraw/zinc/52/06/58/1025520658.db2.gz OFWLLTKYRVPEID-QUCCMNQESA-N 1 3 318.505 3.646 20 0 DHADHO CC[NH+](CC)C[C@@H]1CCN(CC[C@H](C)OCc2ccccc2)C1 ZINC000354837481 1025521242 /nfs/dbraw/zinc/52/12/42/1025521242.db2.gz OFWLLTKYRVPEID-ICSRJNTNSA-N 1 3 318.505 3.646 20 0 DHADHO Cc1csc([C@@H](C)NC2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886522488 1025675047 /nfs/dbraw/zinc/67/50/47/1025675047.db2.gz KEWLCBSWDLZKCH-HPUBIQBYSA-N 1 3 307.507 3.899 20 0 DHADHO Cc1noc(C)c1[C@H](C)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000886525920 1025675914 /nfs/dbraw/zinc/67/59/14/1025675914.db2.gz AZGPHALEONZHJI-BELGNNRLSA-N 1 3 305.466 3.739 20 0 DHADHO CCCc1ncc(CNC2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000886620497 1025742364 /nfs/dbraw/zinc/74/23/64/1025742364.db2.gz LGLBGTYPNROGKG-UHFFFAOYSA-N 1 3 305.466 3.514 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCc3nc(Cl)ccc32)c1 ZINC000806129719 1025795415 /nfs/dbraw/zinc/79/54/15/1025795415.db2.gz ILGQHJMRQABJRQ-MRXNPFEDSA-N 1 3 315.848 3.574 20 0 DHADHO Clc1ccc(CN2CCC(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167916595 1025885275 /nfs/dbraw/zinc/88/52/75/1025885275.db2.gz HWTXYLFENGVPLF-IZZQQSIFSA-N 1 3 318.892 3.940 20 0 DHADHO CC[NH+]1CCC(N[C@H]2CCc3ccc(Br)cc32)CC1 ZINC000282826856 1025955826 /nfs/dbraw/zinc/95/58/26/1025955826.db2.gz UZYNZUPCWPVUAA-INIZCTEOSA-N 1 3 323.278 3.510 20 0 DHADHO C[C@H](c1cccnc1)N(C)C/C=C/C[N@H+](C)[C@H](C)c1cccnc1 ZINC000245544130 1026066635 /nfs/dbraw/zinc/06/66/35/1026066635.db2.gz UDIBLNITAQSNPI-PJHKVULZSA-N 1 3 324.472 3.719 20 0 DHADHO C[C@H](c1cccnc1)N(C)C/C=C/C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000245544130 1026066653 /nfs/dbraw/zinc/06/66/53/1026066653.db2.gz UDIBLNITAQSNPI-PJHKVULZSA-N 1 3 324.472 3.719 20 0 DHADHO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000532968435 1026154490 /nfs/dbraw/zinc/15/44/90/1026154490.db2.gz CUSVIBUAXVFEQB-ICSRJNTNSA-N 1 3 300.490 3.816 20 0 DHADHO C[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000532968435 1026154500 /nfs/dbraw/zinc/15/45/00/1026154500.db2.gz CUSVIBUAXVFEQB-ICSRJNTNSA-N 1 3 300.490 3.816 20 0 DHADHO COc1ccccc1C[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000310372444 1026523866 /nfs/dbraw/zinc/52/38/66/1026523866.db2.gz OHEQCYWHPYMESG-OAQYLSRUSA-N 1 3 324.468 3.697 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2csc3ccccc23)[C@H]2CCC[C@@H]21 ZINC000513664958 1026559342 /nfs/dbraw/zinc/55/93/42/1026559342.db2.gz AGVHDETYZHROJN-IKGGRYGDSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@H+]1CC[C@H](NCc2csc3ccccc23)[C@H]2CCC[C@@H]21 ZINC000513664958 1026559348 /nfs/dbraw/zinc/55/93/48/1026559348.db2.gz AGVHDETYZHROJN-IKGGRYGDSA-N 1 3 300.471 3.864 20 0 DHADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280126594 1026600695 /nfs/dbraw/zinc/60/06/95/1026600695.db2.gz CBAYTMIUNPYFSM-VDHUWJSZSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280126594 1026600699 /nfs/dbraw/zinc/60/06/99/1026600699.db2.gz CBAYTMIUNPYFSM-VDHUWJSZSA-N 1 3 304.865 3.802 20 0 DHADHO COc1ccc([C@@H](CN)C[NH2+][C@@H](c2ccccc2)C2CCC2)cc1 ZINC000420293841 1026796027 /nfs/dbraw/zinc/79/60/27/1026796027.db2.gz ANYZMVXBYXOHLE-FPOVZHCZSA-N 1 3 324.468 3.869 20 0 DHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000420297383 1026798114 /nfs/dbraw/zinc/79/81/14/1026798114.db2.gz DBYXRTYUOMKVEX-FUHWJXTLSA-N 1 3 316.470 3.636 20 0 DHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000420297383 1026798121 /nfs/dbraw/zinc/79/81/21/1026798121.db2.gz DBYXRTYUOMKVEX-FUHWJXTLSA-N 1 3 316.470 3.636 20 0 DHADHO C[C@H](c1ccc(Cl)cc1Cl)N(C)CC[C@H]1CC[NH2+]C1 ZINC000420326761 1026807362 /nfs/dbraw/zinc/80/73/62/1026807362.db2.gz XPHBDTCEFIEGIB-VXGBXAGGSA-N 1 3 301.261 3.986 20 0 DHADHO Cc1cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000420385001 1026811241 /nfs/dbraw/zinc/81/12/41/1026811241.db2.gz FAPSOJKYHAVUAT-JXFKEZNVSA-N 1 3 309.457 3.507 20 0 DHADHO COc1ccc([C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)C(C)C)c(F)c1 ZINC000421820246 1027066236 /nfs/dbraw/zinc/06/62/36/1027066236.db2.gz LNKKPDLSYLWSQS-IFXJQAMLSA-N 1 3 320.452 3.605 20 0 DHADHO COc1ccc(F)c(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000572307021 1027190969 /nfs/dbraw/zinc/19/09/69/1027190969.db2.gz ZISBJGWWMBAFSN-IYBDPMFKSA-N 1 3 322.468 3.682 20 0 DHADHO COc1ccc(F)c(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000572307021 1027190980 /nfs/dbraw/zinc/19/09/80/1027190980.db2.gz ZISBJGWWMBAFSN-IYBDPMFKSA-N 1 3 322.468 3.682 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCCc1ccccc1 ZINC000422708761 1027296842 /nfs/dbraw/zinc/29/68/42/1027296842.db2.gz YDJZYQBXUHFFPE-MRXNPFEDSA-N 1 3 311.473 3.912 20 0 DHADHO Cc1ccc(SCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422771817 1027315194 /nfs/dbraw/zinc/31/51/94/1027315194.db2.gz RNNFIVCEYAPUKG-KZNAEPCWSA-N 1 3 304.503 3.597 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCn1ccc2ccccc21 ZINC000422772393 1027315588 /nfs/dbraw/zinc/31/55/88/1027315588.db2.gz YGTQWVMSXYLZHE-HNNXBMFYSA-N 1 3 322.456 3.544 20 0 DHADHO CCOc1cccc([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422780222 1027317921 /nfs/dbraw/zinc/31/79/21/1027317921.db2.gz JXUCTLWYACZWGG-UONOGXRCSA-N 1 3 313.445 3.659 20 0 DHADHO c1ccc2nc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000422777260 1027318350 /nfs/dbraw/zinc/31/83/50/1027318350.db2.gz FFSWUTQTVRYVEF-HLAWJBBLSA-N 1 3 323.484 3.678 20 0 DHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc2ccccc2n1 ZINC000422780071 1027320548 /nfs/dbraw/zinc/32/05/48/1027320548.db2.gz JSZFEYPSNMKKLU-APWZRJJASA-N 1 3 311.473 3.678 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1csc2ccccc12 ZINC000422765098 1027322130 /nfs/dbraw/zinc/32/21/30/1027322130.db2.gz QELXIECUEDRSLQ-LBPRGKRZSA-N 1 3 311.454 3.914 20 0 DHADHO COc1ccc2cc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422799254 1027327438 /nfs/dbraw/zinc/32/74/38/1027327438.db2.gz VXVYXPYYGXHKAW-NJDAHSKKSA-N 1 3 324.468 3.859 20 0 DHADHO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422838030 1027338380 /nfs/dbraw/zinc/33/83/80/1027338380.db2.gz NPWPRYZCUZGBMD-RRQGHBQHSA-N 1 3 307.507 3.564 20 0 DHADHO CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000422835422 1027339068 /nfs/dbraw/zinc/33/90/68/1027339068.db2.gz IVFAOEGURPMWET-UONOGXRCSA-N 1 3 301.261 3.740 20 0 DHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)c1ccccc1F ZINC000422848788 1027340801 /nfs/dbraw/zinc/34/08/01/1027340801.db2.gz KKUXLUAFTTVSOI-KXBFYZLASA-N 1 3 314.448 3.651 20 0 DHADHO C[C@H](CCC[NH3+])N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422883487 1027349509 /nfs/dbraw/zinc/34/95/09/1027349509.db2.gz CIBADGFUUUIWNO-DYVFJYSZSA-N 1 3 303.837 3.541 20 0 DHADHO COc1cc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])ccc1OC1CCCC1 ZINC000422884866 1027349770 /nfs/dbraw/zinc/34/97/70/1027349770.db2.gz XUABQKCFOMSAFF-KKUMJFAQSA-N 1 3 320.477 3.793 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422885527 1027351950 /nfs/dbraw/zinc/35/19/50/1027351950.db2.gz GXCUOHLLHGLMMD-CQSZACIVSA-N 1 3 322.456 3.613 20 0 DHADHO Cc1ccc(OCCCCN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422897142 1027354910 /nfs/dbraw/zinc/35/49/10/1027354910.db2.gz JEEBFRIYJHUIDY-UXHICEINSA-N 1 3 310.441 3.888 20 0 DHADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCO[C@H]2c2ccccc2)c2ccccc21 ZINC000422901457 1027355149 /nfs/dbraw/zinc/35/51/49/1027355149.db2.gz KYUSVRWFJBFIJP-CZGNIMDHSA-N 1 3 322.452 3.889 20 0 DHADHO Cc1cc(C)cc(C[C@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000422915314 1027359509 /nfs/dbraw/zinc/35/95/09/1027359509.db2.gz ASULVSQBSMEHCS-JKSUJKDBSA-N 1 3 311.473 3.747 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000422916856 1027360484 /nfs/dbraw/zinc/36/04/84/1027360484.db2.gz BSDTWMSXKJWQIK-CQSZACIVSA-N 1 3 305.425 3.853 20 0 DHADHO Cc1ccc(-c2cccc(CN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])c2)cc1 ZINC000422929005 1027364997 /nfs/dbraw/zinc/36/49/97/1027364997.db2.gz NWMFYWSFGNOAGT-TYCQWZJGSA-N 1 3 324.468 3.504 20 0 DHADHO CC(C)(CO)[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422965880 1027373628 /nfs/dbraw/zinc/37/36/28/1027373628.db2.gz MHMQMYQYKNFTCT-HSALFYBXSA-N 1 3 324.468 3.523 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](CCc2ccncc2)CC1 ZINC000362775285 1027380324 /nfs/dbraw/zinc/38/03/24/1027380324.db2.gz OVNXNQQHLYMBHV-NRFANRHFSA-N 1 3 323.484 3.611 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](CCc2ccncc2)CC1 ZINC000362775285 1027380341 /nfs/dbraw/zinc/38/03/41/1027380341.db2.gz OVNXNQQHLYMBHV-NRFANRHFSA-N 1 3 323.484 3.611 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000423006588 1027391448 /nfs/dbraw/zinc/39/14/48/1027391448.db2.gz VZAITAHFTWIFRE-MOPGFXCFSA-N 1 3 314.404 3.630 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000422995703 1027394322 /nfs/dbraw/zinc/39/43/22/1027394322.db2.gz YWAQTBIVRHRWMX-AUUYWEPGSA-N 1 3 309.457 3.922 20 0 DHADHO [NH3+]C[C@H]1CCCC[C@@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423096947 1027414175 /nfs/dbraw/zinc/41/41/75/1027414175.db2.gz QCPGJTGYJNLFCZ-XBOHUIDSSA-N 1 3 310.844 3.774 20 0 DHADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423096947 1027414197 /nfs/dbraw/zinc/41/41/97/1027414197.db2.gz QCPGJTGYJNLFCZ-XBOHUIDSSA-N 1 3 310.844 3.774 20 0 DHADHO [NH3+][C@H]1C[C@H](NCCCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000423117274 1027418254 /nfs/dbraw/zinc/41/82/54/1027418254.db2.gz UPQQFQHQNDSRNL-ICSRJNTNSA-N 1 3 323.415 3.974 20 0 DHADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(C2CCCCC2)cc1 ZINC000423128945 1027425563 /nfs/dbraw/zinc/42/55/63/1027425563.db2.gz LKEQDTVABXAMRV-CWFSZBLJSA-N 1 3 316.489 3.576 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423114063 1027428087 /nfs/dbraw/zinc/42/80/87/1027428087.db2.gz LFAJQIYBTWQGHP-JRPNMDOOSA-N 1 3 300.368 3.872 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CSc2ccccc21 ZINC000423149186 1027432187 /nfs/dbraw/zinc/43/21/87/1027432187.db2.gz XKZFXAUQBAXSKC-OWCLPIDISA-N 1 3 304.503 3.776 20 0 DHADHO [NH3+]C[C@@H]1CCCC[C@H]1NC/C=C\c1ccc(Br)cc1 ZINC000423149648 1027432299 /nfs/dbraw/zinc/43/22/99/1027432299.db2.gz ASELIRINEWWMCH-WCQMXNECSA-N 1 3 323.278 3.569 20 0 DHADHO [NH3+]C[C@@H]1CCCC[C@H]1NC/C=C/c1ccc(Br)cc1 ZINC000423149646 1027432595 /nfs/dbraw/zinc/43/25/95/1027432595.db2.gz ASELIRINEWWMCH-AIROSISHSA-N 1 3 323.278 3.569 20 0 DHADHO NCCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423184745 1027438580 /nfs/dbraw/zinc/43/85/80/1027438580.db2.gz IOKDKLJSPSPXPG-CABCVRRESA-N 1 3 300.368 3.670 20 0 DHADHO Cc1cc([C@@H](C)NCCC[NH2+]Cc2cccnc2)c(C)s1 ZINC000423185116 1027439310 /nfs/dbraw/zinc/43/93/10/1027439310.db2.gz JDYAMFVNOCPNTB-CQSZACIVSA-N 1 3 303.475 3.590 20 0 DHADHO NC1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CCCCCC1 ZINC000423207648 1027445917 /nfs/dbraw/zinc/44/59/17/1027445917.db2.gz XYVFNWPOCYCKGE-HKUYNNGSSA-N 1 3 316.489 3.796 20 0 DHADHO CC(C)[C@H](NC[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423213075 1027450159 /nfs/dbraw/zinc/45/01/59/1027450159.db2.gz MVHDSAOLDIIJKI-BBRMVZONSA-N 1 3 314.395 3.992 20 0 DHADHO COc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423220872 1027461943 /nfs/dbraw/zinc/46/19/43/1027461943.db2.gz WCGLSAYETUQUGW-PMPSAXMXSA-N 1 3 312.457 3.887 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(F)cc2N(C)C)cc1 ZINC000423290702 1027485436 /nfs/dbraw/zinc/48/54/36/1027485436.db2.gz FCFZJGOAUPBDDK-KGLIPLIRSA-N 1 3 315.436 3.762 20 0 DHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC[C@@H](C)C[NH3+] ZINC000423293603 1027486817 /nfs/dbraw/zinc/48/68/17/1027486817.db2.gz AGJAAGPUBDTDOH-STQMWFEESA-N 1 3 303.475 3.672 20 0 DHADHO COc1cccc2cc([C@H](C)N[C@@H]3CCCC[C@H]3C[NH3+])oc21 ZINC000423269327 1027490309 /nfs/dbraw/zinc/49/03/09/1027490309.db2.gz FKXXYXWDSNTJAE-AEGPPILISA-N 1 3 302.418 3.610 20 0 DHADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423276935 1027492156 /nfs/dbraw/zinc/49/21/56/1027492156.db2.gz NPSHJMADUSLRDL-XNRPHZJLSA-N 1 3 314.395 3.744 20 0 DHADHO CC(C)[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310385 1027496982 /nfs/dbraw/zinc/49/69/82/1027496982.db2.gz AEVXOIHCLWRJJU-GJZGRUSLSA-N 1 3 300.368 3.729 20 0 DHADHO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC1(N)CCC1 ZINC000423319486 1027501028 /nfs/dbraw/zinc/50/10/28/1027501028.db2.gz FMEAELMDWULIOW-LBPRGKRZSA-N 1 3 301.459 3.651 20 0 DHADHO COc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1F ZINC000423295316 1027501928 /nfs/dbraw/zinc/50/19/28/1027501928.db2.gz WLNIHMZGIMLGCY-OLZOCXBDSA-N 1 3 302.393 3.705 20 0 DHADHO NC1(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCC1 ZINC000423331344 1027510255 /nfs/dbraw/zinc/51/02/55/1027510255.db2.gz PZTSXNSNAAJIEV-AWEZNQCLSA-N 1 3 314.351 3.507 20 0 DHADHO CC(C)[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423384681 1027526569 /nfs/dbraw/zinc/52/65/69/1027526569.db2.gz GGHDSJCYAULUDI-RCBQFDQVSA-N 1 3 314.395 3.990 20 0 DHADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423440113 1027553116 /nfs/dbraw/zinc/55/31/16/1027553116.db2.gz ANXJMHNBVNCTDA-KGLIPLIRSA-N 1 3 301.459 3.514 20 0 DHADHO CC[C@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423457048 1027553278 /nfs/dbraw/zinc/55/32/78/1027553278.db2.gz FFAHAUKHWWPGCJ-KBPBESRZSA-N 1 3 319.449 3.654 20 0 DHADHO Nc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000576269210 1027592785 /nfs/dbraw/zinc/59/27/85/1027592785.db2.gz IARKCBZGRNBNTD-YSTOQKLRSA-N 1 3 313.489 3.547 20 0 DHADHO CC(C)CN1CCC([NH2+]CCc2cccc(Cl)c2F)CC1 ZINC001258007866 1027670515 /nfs/dbraw/zinc/67/05/15/1027670515.db2.gz VQBMUIGNZNQNAH-UHFFFAOYSA-N 1 3 312.860 3.732 20 0 DHADHO CC(C)C[NH+]1CCC(NCCc2cccc(Cl)c2F)CC1 ZINC001258007866 1027670522 /nfs/dbraw/zinc/67/05/22/1027670522.db2.gz VQBMUIGNZNQNAH-UHFFFAOYSA-N 1 3 312.860 3.732 20 0 DHADHO Cc1cc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccn1 ZINC000527666396 1027813076 /nfs/dbraw/zinc/81/30/76/1027813076.db2.gz NLGVMIFUWVLZRK-SJLPKXTDSA-N 1 3 315.486 3.624 20 0 DHADHO Cc1cc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccn1 ZINC000527666396 1027813094 /nfs/dbraw/zinc/81/30/94/1027813094.db2.gz NLGVMIFUWVLZRK-SJLPKXTDSA-N 1 3 315.486 3.624 20 0 DHADHO CCOC1CC(CC[NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000364517838 1027832006 /nfs/dbraw/zinc/83/20/06/1027832006.db2.gz LXZGTJBISVZVDX-UHFFFAOYSA-N 1 3 322.537 3.826 20 0 DHADHO CC1(C)[C@@H]2C[C@@H]([NH2+]C3CCN(C[C@H]4CC=CCC4)CC3)C[C@@H]21 ZINC001170739086 1028007036 /nfs/dbraw/zinc/00/70/36/1028007036.db2.gz NWXBJDXNIJHLIL-DSLXNQLJSA-N 1 3 302.506 3.831 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365821477 1028011219 /nfs/dbraw/zinc/01/12/19/1028011219.db2.gz KWDYKZQATRBVOQ-ZIAGYGMSSA-N 1 3 310.844 3.628 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365821477 1028011239 /nfs/dbraw/zinc/01/12/39/1028011239.db2.gz KWDYKZQATRBVOQ-ZIAGYGMSSA-N 1 3 310.844 3.628 20 0 DHADHO C[N@@H+]1CCC[C@]2(CCN(CCCOc3cccc(Cl)c3)C2)C1 ZINC000578635946 1028200103 /nfs/dbraw/zinc/20/01/03/1028200103.db2.gz WOXNJHWQZJFYIY-SFHVURJKSA-N 1 3 322.880 3.527 20 0 DHADHO C[N@H+]1CCC[C@]2(CCN(CCCOc3cccc(Cl)c3)C2)C1 ZINC000578635946 1028200123 /nfs/dbraw/zinc/20/01/23/1028200123.db2.gz WOXNJHWQZJFYIY-SFHVURJKSA-N 1 3 322.880 3.527 20 0 DHADHO Cc1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cs1 ZINC000449121326 1028376037 /nfs/dbraw/zinc/37/60/37/1028376037.db2.gz HHUAETCNVDHVTA-GOSISDBHSA-N 1 3 314.498 3.711 20 0 DHADHO CC[C@@H](C)[C@@H](O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449139996 1028396701 /nfs/dbraw/zinc/39/67/01/1028396701.db2.gz BPFJVUWCNSERGG-WBVHZDCISA-N 1 3 312.542 3.662 20 0 DHADHO COC1(C[C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000369289915 1028469181 /nfs/dbraw/zinc/46/91/81/1028469181.db2.gz GQENYMHQBORQDX-INIZCTEOSA-N 1 3 308.510 3.721 20 0 DHADHO COc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc2ccccc21 ZINC000449330225 1028541232 /nfs/dbraw/zinc/54/12/32/1028541232.db2.gz KMWDJGPBFDBNGA-HNAYVOBHSA-N 1 3 312.457 3.620 20 0 DHADHO COc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc2ccccc21 ZINC000449330225 1028541246 /nfs/dbraw/zinc/54/12/46/1028541246.db2.gz KMWDJGPBFDBNGA-HNAYVOBHSA-N 1 3 312.457 3.620 20 0 DHADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCOC2(CCC2)C1 ZINC000449473014 1028675616 /nfs/dbraw/zinc/67/56/16/1028675616.db2.gz BHFSDRIMBGLVNY-KRWDZBQOSA-N 1 3 320.521 3.722 20 0 DHADHO CSc1ccccc1C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371686099 1028748321 /nfs/dbraw/zinc/74/83/21/1028748321.db2.gz RBTCIUVOJLLMPR-XIRDDKMYSA-N 1 3 304.503 3.556 20 0 DHADHO CSc1ccccc1C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371686099 1028748334 /nfs/dbraw/zinc/74/83/34/1028748334.db2.gz RBTCIUVOJLLMPR-XIRDDKMYSA-N 1 3 304.503 3.556 20 0 DHADHO COCCCCC[N@@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000372217197 1028828106 /nfs/dbraw/zinc/82/81/06/1028828106.db2.gz KTTYFFSBSDEWBR-HXUWFJFHSA-N 1 3 318.505 3.790 20 0 DHADHO COCCCCC[N@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000372217197 1028828120 /nfs/dbraw/zinc/82/81/20/1028828120.db2.gz KTTYFFSBSDEWBR-HXUWFJFHSA-N 1 3 318.505 3.790 20 0 DHADHO c1cc2cc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2[nH]1 ZINC000628190978 1028929173 /nfs/dbraw/zinc/92/91/73/1028929173.db2.gz WJEOUWJSNNAALO-PXNSSMCTSA-N 1 3 309.457 3.617 20 0 DHADHO c1cc2cc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2[nH]1 ZINC000628190978 1028929187 /nfs/dbraw/zinc/92/91/87/1028929187.db2.gz WJEOUWJSNNAALO-PXNSSMCTSA-N 1 3 309.457 3.617 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000568008319 1028992874 /nfs/dbraw/zinc/99/28/74/1028992874.db2.gz VALQUYPZOHNXEE-QHFSCXFQSA-N 1 3 301.478 3.714 20 0 DHADHO COc1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)c(F)c1 ZINC000568030179 1028995360 /nfs/dbraw/zinc/99/53/60/1028995360.db2.gz LHKNWQJYYMHLSW-OAHLLOKOSA-N 1 3 308.441 3.579 20 0 DHADHO COc1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)c(F)c1 ZINC000568030179 1028995369 /nfs/dbraw/zinc/99/53/69/1028995369.db2.gz LHKNWQJYYMHLSW-OAHLLOKOSA-N 1 3 308.441 3.579 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc3ccc(C)cc3c2)C[C@@H]1C ZINC000411311809 1029097264 /nfs/dbraw/zinc/09/72/64/1029097264.db2.gz XXRAZRPLEVQBQK-QFBILLFUSA-N 1 3 311.473 3.848 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc3ccc(C)cc3c2)C[C@@H]1C ZINC000411311809 1029097278 /nfs/dbraw/zinc/09/72/78/1029097278.db2.gz XXRAZRPLEVQBQK-QFBILLFUSA-N 1 3 311.473 3.848 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cnc3ccc(C)cc3c2)C[C@@H]1C ZINC000411311808 1029099329 /nfs/dbraw/zinc/09/93/29/1029099329.db2.gz XXRAZRPLEVQBQK-LPHOPBHVSA-N 1 3 311.473 3.848 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc3ccc(C)cc3c2)C[C@@H]1C ZINC000411311808 1029099345 /nfs/dbraw/zinc/09/93/45/1029099345.db2.gz XXRAZRPLEVQBQK-LPHOPBHVSA-N 1 3 311.473 3.848 20 0 DHADHO Fc1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000373840981 1029148059 /nfs/dbraw/zinc/14/80/59/1029148059.db2.gz ICSVSUHULFAIKF-KNIAUWFNSA-N 1 3 322.855 3.942 20 0 DHADHO Fc1ccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000373840981 1029148066 /nfs/dbraw/zinc/14/80/66/1029148066.db2.gz ICSVSUHULFAIKF-KNIAUWFNSA-N 1 3 322.855 3.942 20 0 DHADHO Cc1cnccc1CNC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000568949917 1029150791 /nfs/dbraw/zinc/15/07/91/1029150791.db2.gz UESGOVMRTZDSCI-FUHWJXTLSA-N 1 3 315.486 3.624 20 0 DHADHO Cc1cnccc1CNC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000568949917 1029150796 /nfs/dbraw/zinc/15/07/96/1029150796.db2.gz UESGOVMRTZDSCI-FUHWJXTLSA-N 1 3 315.486 3.624 20 0 DHADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccccc1OC(F)F ZINC000817946812 1029288277 /nfs/dbraw/zinc/28/82/77/1029288277.db2.gz FGXGXXGOXAXFLG-ZDUSSCGKSA-N 1 3 320.383 3.640 20 0 DHADHO COc1ccnc([C@@H](C)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000925227148 1029309090 /nfs/dbraw/zinc/30/90/90/1029309090.db2.gz BOLQUHQZDJZCAX-KLAILNCOSA-N 1 3 317.477 3.538 20 0 DHADHO CC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000570442264 1029367554 /nfs/dbraw/zinc/36/75/54/1029367554.db2.gz ZZGSQYDEUBJADH-WQCNXYOZSA-N 1 3 304.453 3.687 20 0 DHADHO CC[C@H](CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629653228 1029407814 /nfs/dbraw/zinc/40/78/14/1029407814.db2.gz DEFISICHNMCISH-BMFZPTHFSA-N 1 3 314.395 3.639 20 0 DHADHO CC[N@H+](Cc1ccccc1)C1CCN([C@@H]2CCO[C@H](C)C2)CC1 ZINC001168128125 1029815152 /nfs/dbraw/zinc/81/51/52/1029815152.db2.gz NNVDKKNLIAMHFG-YLJYHZDGSA-N 1 3 316.489 3.540 20 0 DHADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CCO[C@H](C)C2)CC1 ZINC001168128125 1029815160 /nfs/dbraw/zinc/81/51/60/1029815160.db2.gz NNVDKKNLIAMHFG-YLJYHZDGSA-N 1 3 316.489 3.540 20 0 DHADHO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1C(C)(C)C ZINC000865588732 1029930702 /nfs/dbraw/zinc/93/07/02/1029930702.db2.gz FQLAVPUELKDVBW-ALOPSCKCSA-N 1 3 316.489 3.708 20 0 DHADHO [NH3+]C[C@H]1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000470021189 1029991444 /nfs/dbraw/zinc/99/14/44/1029991444.db2.gz RTSDJQXFCUMCEG-GFCCVEGCSA-N 1 3 306.862 3.849 20 0 DHADHO CC(C)([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000865744506 1029999873 /nfs/dbraw/zinc/99/98/73/1029999873.db2.gz YBENEJFABGFGQT-GOSISDBHSA-N 1 3 308.510 3.721 20 0 DHADHO COCc1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924611587 1030139338 /nfs/dbraw/zinc/13/93/38/1030139338.db2.gz YIZVWUPUOHGMBK-INIZCTEOSA-N 1 3 312.457 3.745 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1 ZINC000358049348 1030301912 /nfs/dbraw/zinc/30/19/12/1030301912.db2.gz RELZGRLFYXYFCS-NSHGMRRFSA-N 1 3 318.505 3.925 20 0 DHADHO CC[C@@H](C[C@](C)(O)CC)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925209239 1030304759 /nfs/dbraw/zinc/30/47/59/1030304759.db2.gz WQSHUWAUAYTTQG-QFBILLFUSA-N 1 3 310.526 3.703 20 0 DHADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@@H]2CCCN[C@@H]21 ZINC000925542130 1030394007 /nfs/dbraw/zinc/39/40/07/1030394007.db2.gz NOGZZCZXXSNORI-QKGCVVFFSA-N 1 3 318.427 3.721 20 0 DHADHO COc1cc(Cl)ccc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925556312 1030400990 /nfs/dbraw/zinc/40/09/90/1030400990.db2.gz JWJKVEYXCICHCW-KRWDZBQOSA-N 1 3 318.848 3.918 20 0 DHADHO CCCC[C@H]1C[C@H]([NH2+]CCCCCCCCCCO)CCN1 ZINC001246285965 1030408213 /nfs/dbraw/zinc/40/82/13/1030408213.db2.gz GODYTDIZKXEJQZ-RBUKOAKNSA-N 1 3 312.542 4.000 20 0 DHADHO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2ccc(F)c3cccnc23)C1 ZINC000866705597 1030428982 /nfs/dbraw/zinc/42/89/82/1030428982.db2.gz DJFXPGIZYMZJII-IBGZPJMESA-N 1 3 315.436 3.571 20 0 DHADHO C[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc2ncsc2c1 ZINC000925641962 1030431302 /nfs/dbraw/zinc/43/13/02/1030431302.db2.gz DNFAYHWNXNFMIN-YUTCNCBUSA-N 1 3 303.475 3.853 20 0 DHADHO FC(F)(F)C1(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CCCC1 ZINC000925716668 1030463380 /nfs/dbraw/zinc/46/33/80/1030463380.db2.gz BPIMBGKRSBJFJK-GJZGRUSLSA-N 1 3 318.427 3.867 20 0 DHADHO C[C@@H]([NH3+])[C@H](NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccccc1 ZINC000925733683 1030469566 /nfs/dbraw/zinc/46/95/66/1030469566.db2.gz LIJPSHHNVZLJNE-BVUBDWEXSA-N 1 3 312.379 3.809 20 0 DHADHO FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925737613 1030472094 /nfs/dbraw/zinc/47/20/94/1030472094.db2.gz RXDDRNRBCFFMOJ-PMPSAXMXSA-N 1 3 300.437 3.570 20 0 DHADHO CC(C)[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccccc1Cl ZINC000925781665 1030495285 /nfs/dbraw/zinc/49/52/85/1030495285.db2.gz JGYNMQQRGHVDFW-DOMZBBRYSA-N 1 3 316.823 3.872 20 0 DHADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNCCC2(F)F)c2ccccc21 ZINC000925779644 1030496366 /nfs/dbraw/zinc/49/63/66/1030496366.db2.gz YTTJDUAGVQMPKY-RRQGHBQHSA-N 1 3 308.416 3.705 20 0 DHADHO FC1(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCC1 ZINC000558257534 1030502322 /nfs/dbraw/zinc/50/23/22/1030502322.db2.gz QWJLPWFCYDXCKB-GUDVDZBRSA-N 1 3 316.464 3.769 20 0 DHADHO CCSCCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246623974 1030638973 /nfs/dbraw/zinc/63/89/73/1030638973.db2.gz HHYFLMMGECPEIG-FUHWJXTLSA-N 1 3 306.519 3.724 20 0 DHADHO CCSCCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246623974 1030638983 /nfs/dbraw/zinc/63/89/83/1030638983.db2.gz HHYFLMMGECPEIG-FUHWJXTLSA-N 1 3 306.519 3.724 20 0 DHADHO CC[C@@H]1CN([C@@H](C)c2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000122390658 1030686432 /nfs/dbraw/zinc/68/64/32/1030686432.db2.gz AIZPIHRIOPNYJE-ZOWXZIJZSA-N 1 3 300.368 3.826 20 0 DHADHO c1ccc(SC2CC(NC3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000926337924 1030703261 /nfs/dbraw/zinc/70/32/61/1030703261.db2.gz SPTUYKDCHMNJAR-UHFFFAOYSA-N 1 3 316.514 3.916 20 0 DHADHO CC[C@@H](NCCC[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000359360611 1030927547 /nfs/dbraw/zinc/92/75/47/1030927547.db2.gz GHSIJMKHCRNRET-LJQANCHMSA-N 1 3 300.446 3.841 20 0 DHADHO CN1CC[C@@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)CC1(C)C ZINC000623436170 1030970087 /nfs/dbraw/zinc/97/00/87/1030970087.db2.gz HHOQYCOLWVLXBP-LJQANCHMSA-N 1 3 309.457 3.711 20 0 DHADHO C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc([O-])cc(F)c1 ZINC000927036571 1031045521 /nfs/dbraw/zinc/04/55/21/1031045521.db2.gz IYMLCTGTCMMFQA-BELGNNRLSA-N 1 3 306.425 3.589 20 0 DHADHO C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc([O-])cc(F)c1 ZINC000927036746 1031046645 /nfs/dbraw/zinc/04/66/45/1031046645.db2.gz IYMLCTGTCMMFQA-IMUUDWKMSA-N 1 3 306.425 3.589 20 0 DHADHO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000359593524 1031051617 /nfs/dbraw/zinc/05/16/17/1031051617.db2.gz RZTAEHGCRQGBNS-UZLBHIALSA-N 1 3 309.457 3.884 20 0 DHADHO CC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000359593524 1031051636 /nfs/dbraw/zinc/05/16/36/1031051636.db2.gz RZTAEHGCRQGBNS-UZLBHIALSA-N 1 3 309.457 3.884 20 0 DHADHO CCOc1cccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000123650885 1031224522 /nfs/dbraw/zinc/22/45/22/1031224522.db2.gz YLBYGXSWZPVSQU-MRXNPFEDSA-N 1 3 312.457 3.998 20 0 DHADHO Cc1c(O)cccc1C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001144118468 1031258113 /nfs/dbraw/zinc/25/81/13/1031258113.db2.gz XHNMFSVPQZADTD-LJQANCHMSA-N 1 3 324.468 3.655 20 0 DHADHO Cc1c(O)cccc1C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001144118468 1031258123 /nfs/dbraw/zinc/25/81/23/1031258123.db2.gz XHNMFSVPQZADTD-LJQANCHMSA-N 1 3 324.468 3.655 20 0 DHADHO COc1ccccc1/C=C\CN1CCC(CCC[NH+](C)C)CC1 ZINC000536696994 1031404805 /nfs/dbraw/zinc/40/48/05/1031404805.db2.gz GWMNOWFLLWOZNT-YFHOEESVSA-N 1 3 316.489 3.762 20 0 DHADHO C[C@@H](CC[NH2+][C@@H](C)c1cccc(O)c1)N(C)Cc1ccccc1 ZINC000379649338 1031426575 /nfs/dbraw/zinc/42/65/75/1031426575.db2.gz ONAOXIUURRVSHY-IRXDYDNUSA-N 1 3 312.457 3.953 20 0 DHADHO C[C@H]1C[C@H](NCCOc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379658028 1031435870 /nfs/dbraw/zinc/43/58/70/1031435870.db2.gz VEEPGROHWSDZMN-AZUAARDMSA-N 1 3 324.468 3.708 20 0 DHADHO C[C@H]1C[C@H](NCCOc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379658028 1031435884 /nfs/dbraw/zinc/43/58/84/1031435884.db2.gz VEEPGROHWSDZMN-AZUAARDMSA-N 1 3 324.468 3.708 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCOc1cccc(C(C)(C)C)c1 ZINC000536870111 1031463185 /nfs/dbraw/zinc/46/31/85/1031463185.db2.gz LHPAJKHIGSPQFW-JTDSTZFVSA-N 1 3 318.505 3.681 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCOc1cccc(C(C)(C)C)c1 ZINC000536870111 1031463194 /nfs/dbraw/zinc/46/31/94/1031463194.db2.gz LHPAJKHIGSPQFW-JTDSTZFVSA-N 1 3 318.505 3.681 20 0 DHADHO COc1ccc([C@@H](NC[C@H](C)C[NH+]2CCCC2)C(C)C)cc1 ZINC000536949077 1031479857 /nfs/dbraw/zinc/47/98/57/1031479857.db2.gz LNEADWRKLZFDSU-LPHOPBHVSA-N 1 3 304.478 3.714 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000536998185 1031485840 /nfs/dbraw/zinc/48/58/40/1031485840.db2.gz IYZVVESSAMLKOT-KXBFYZLASA-N 1 3 304.453 3.987 20 0 DHADHO FCc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000930059915 1031687127 /nfs/dbraw/zinc/68/71/27/1031687127.db2.gz FIDAHEQMIYXUIP-HKUYNNGSSA-N 1 3 302.437 3.605 20 0 DHADHO FCc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000930059915 1031687138 /nfs/dbraw/zinc/68/71/38/1031687138.db2.gz FIDAHEQMIYXUIP-HKUYNNGSSA-N 1 3 302.437 3.605 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCCc3ccc(O)cc32)c1 ZINC000361116215 1031737350 /nfs/dbraw/zinc/73/73/50/1031737350.db2.gz BZHYLJJISOVRNL-HXUWFJFHSA-N 1 3 310.441 3.621 20 0 DHADHO Clc1ccc2c(c1)CC[C@@H]2NCc1cc2c(s1)CC[NH2+]C2 ZINC000873212610 1031760182 /nfs/dbraw/zinc/76/01/82/1031760182.db2.gz PRPJLUDCKOBPLP-INIZCTEOSA-N 1 3 318.873 3.824 20 0 DHADHO Fc1ccc(C2(NCc3cc4c(s3)CC[NH2+]C4)CCC2)cc1 ZINC000873207667 1031760662 /nfs/dbraw/zinc/76/06/62/1031760662.db2.gz YOPUWAPFMQQLNX-UHFFFAOYSA-N 1 3 316.445 3.702 20 0 DHADHO c1cnc2cccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2c1 ZINC000873285073 1031786769 /nfs/dbraw/zinc/78/67/69/1031786769.db2.gz XMABCLSZPAZPDJ-YZGWKJHDSA-N 1 3 309.457 3.635 20 0 DHADHO c1cnc2cccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2c1 ZINC000873285071 1031787579 /nfs/dbraw/zinc/78/75/79/1031787579.db2.gz XMABCLSZPAZPDJ-MISYRCLQSA-N 1 3 309.457 3.635 20 0 DHADHO CN1CCCC[C@@H]1CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000361331286 1031868278 /nfs/dbraw/zinc/86/82/78/1031868278.db2.gz NKBNDGLQOBFKPZ-QGZVFWFLSA-N 1 3 319.468 3.576 20 0 DHADHO CCCC[N@H+](C[C@@H]1C[C@@]12CCOC2)C1CC(C)(C)NC(C)(C)C1 ZINC000931033929 1032016789 /nfs/dbraw/zinc/01/67/89/1032016789.db2.gz MVRASKCYHTYOAV-OXJNMPFZSA-N 1 3 322.537 3.824 20 0 DHADHO CCCC[N@@H+](C[C@@H]1C[C@@]12CCOC2)C1CC(C)(C)NC(C)(C)C1 ZINC000931033929 1032016805 /nfs/dbraw/zinc/01/68/05/1032016805.db2.gz MVRASKCYHTYOAV-OXJNMPFZSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000044534497 1032052745 /nfs/dbraw/zinc/05/27/45/1032052745.db2.gz PYLNMGGJYFWOIC-OLZOCXBDSA-N 1 3 300.368 3.698 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000044534497 1032052757 /nfs/dbraw/zinc/05/27/57/1032052757.db2.gz PYLNMGGJYFWOIC-OLZOCXBDSA-N 1 3 300.368 3.698 20 0 DHADHO Cc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC001172830823 1033391785 /nfs/dbraw/zinc/39/17/85/1033391785.db2.gz KFPRFPBVIDYJQC-HXUWFJFHSA-N 1 3 312.501 3.849 20 0 DHADHO Cc1ccc2c(c1)C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)CC2 ZINC001172836760 1033399877 /nfs/dbraw/zinc/39/98/77/1033399877.db2.gz XBXNEQMVOKRSFX-PXNSSMCTSA-N 1 3 300.490 3.706 20 0 DHADHO CC[C@@H]1C[C@H](CN2CCC(CC)([NH+]3CCCC3)CC2)CCO1 ZINC000877675057 1033407552 /nfs/dbraw/zinc/40/75/52/1033407552.db2.gz VBMAJCJGEDVGAL-QZTJIDSGSA-N 1 3 308.510 3.532 20 0 DHADHO CC[C@@H]1C[C@@H](CN2CCC(CC)([NH+]3CCCC3)CC2)CCO1 ZINC000877675060 1033408092 /nfs/dbraw/zinc/40/80/92/1033408092.db2.gz VBMAJCJGEDVGAL-ZWKOTPCHSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H](CSc1ccc(Cl)cc1)N1CC2(C1)CC[NH+](C)CC2 ZINC001172881664 1033455063 /nfs/dbraw/zinc/45/50/63/1033455063.db2.gz KDPKIFYUKNTTOI-AWEZNQCLSA-N 1 3 324.921 3.848 20 0 DHADHO C[C@H](NC1(C)CC(F)(F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877834107 1033478486 /nfs/dbraw/zinc/47/84/86/1033478486.db2.gz NVHOCMDICMYYBD-HOCLYGCPSA-N 1 3 308.416 3.674 20 0 DHADHO C[C@H](NC1(C)CC(F)(F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877834107 1033478492 /nfs/dbraw/zinc/47/84/92/1033478492.db2.gz NVHOCMDICMYYBD-HOCLYGCPSA-N 1 3 308.416 3.674 20 0 DHADHO NCCC[N@H+](C1CCCCC1)C1CCC2(CCOCC2)CC1 ZINC001173039937 1033505611 /nfs/dbraw/zinc/50/56/11/1033505611.db2.gz VJZHOHHHPXXXNH-UHFFFAOYSA-N 1 3 308.510 3.709 20 0 DHADHO NCCC[N@@H+](C1CCCCC1)C1CCC2(CCOCC2)CC1 ZINC001173039937 1033505625 /nfs/dbraw/zinc/50/56/25/1033505625.db2.gz VJZHOHHHPXXXNH-UHFFFAOYSA-N 1 3 308.510 3.709 20 0 DHADHO CCCOC1CCC([NH2+]C2CCN(C(CC)CC)CC2)CC1 ZINC001173094343 1033523984 /nfs/dbraw/zinc/52/39/84/1033523984.db2.gz VPRZHHLXBYTZEU-UHFFFAOYSA-N 1 3 310.526 3.967 20 0 DHADHO Clc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC3CC3)CC1)CC2 ZINC000479119660 1033665944 /nfs/dbraw/zinc/66/59/44/1033665944.db2.gz GXICPLXWXHNPOF-GOSISDBHSA-N 1 3 304.865 3.791 20 0 DHADHO CCSC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001173291042 1033682073 /nfs/dbraw/zinc/68/20/73/1033682073.db2.gz JRPAGGOIDXQPJB-DSLXNQLJSA-N 1 3 318.530 3.628 20 0 DHADHO CCSC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC001173291044 1033683139 /nfs/dbraw/zinc/68/31/39/1033683139.db2.gz JRPAGGOIDXQPJB-JCHJZTRSSA-N 1 3 318.530 3.628 20 0 DHADHO COc1ccc([C@H](C)[NH2+]CCCN2CCCC2)c2ccccc12 ZINC000480165327 1034108151 /nfs/dbraw/zinc/10/81/51/1034108151.db2.gz YYTFEIVINJBDMS-INIZCTEOSA-N 1 3 312.457 3.985 20 0 DHADHO COc1ccc([C@H](C)NCCC[NH+]2CCCC2)c2ccccc12 ZINC000480165327 1034108155 /nfs/dbraw/zinc/10/81/55/1034108155.db2.gz YYTFEIVINJBDMS-INIZCTEOSA-N 1 3 312.457 3.985 20 0 DHADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCO2 ZINC000177733103 1034178196 /nfs/dbraw/zinc/17/81/96/1034178196.db2.gz VGGKFAGFIYFKBV-HNNXBMFYSA-N 1 3 310.441 3.534 20 0 DHADHO COc1ccc([C@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000480606441 1034348029 /nfs/dbraw/zinc/34/80/29/1034348029.db2.gz ANQKEUMSTOVVNG-CVEARBPZSA-N 1 3 322.468 3.997 20 0 DHADHO COc1ccc([C@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000480606441 1034348047 /nfs/dbraw/zinc/34/80/47/1034348047.db2.gz ANQKEUMSTOVVNG-CVEARBPZSA-N 1 3 322.468 3.997 20 0 DHADHO CC[NH+]1CCC(NC/C(C)=C\c2ccccc2OC(F)F)CC1 ZINC000554979680 1034442716 /nfs/dbraw/zinc/44/27/16/1034442716.db2.gz XWISJPWZAGBSTM-OWBHPGMISA-N 1 3 324.415 3.765 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192971879 1034824956 /nfs/dbraw/zinc/82/49/56/1034824956.db2.gz CNOCTERZXUVUJF-GOSISDBHSA-N 1 3 301.478 3.786 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192971890 1034825444 /nfs/dbraw/zinc/82/54/44/1034825444.db2.gz CNOCTERZXUVUJF-SFHVURJKSA-N 1 3 301.478 3.786 20 0 DHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1 ZINC000162873432 1034848376 /nfs/dbraw/zinc/84/83/76/1034848376.db2.gz IACDKSXZFUXWNW-OAGGEKHMSA-N 1 3 324.896 3.880 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c(F)c1 ZINC000483175974 1035235665 /nfs/dbraw/zinc/23/56/65/1035235665.db2.gz JBRXQBMFSVTZKH-SUMWQHHRSA-N 1 3 310.457 3.851 20 0 DHADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483335037 1035256953 /nfs/dbraw/zinc/25/69/53/1035256953.db2.gz INIUNVRYFACFAA-UHFFFAOYSA-N 1 3 314.473 3.536 20 0 DHADHO CN1CCC2(CCC[N@H+]2Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483335037 1035256957 /nfs/dbraw/zinc/25/69/57/1035256957.db2.gz INIUNVRYFACFAA-UHFFFAOYSA-N 1 3 314.473 3.536 20 0 DHADHO COC[C@H](NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000484142311 1035320437 /nfs/dbraw/zinc/32/04/37/1035320437.db2.gz ZJURRJMOEQQARS-APWZRJJASA-N 1 3 316.489 3.665 20 0 DHADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC001177093469 1035349782 /nfs/dbraw/zinc/34/97/82/1035349782.db2.gz UFWQAZGUCIIADG-UHFFFAOYSA-N 1 3 302.434 3.679 20 0 DHADHO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000484473813 1035343766 /nfs/dbraw/zinc/34/37/66/1035343766.db2.gz ZIVKMHNKGMAUJT-SZMVWBNQSA-N 1 3 304.478 3.997 20 0 DHADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C2CC2)cc1 ZINC000484478491 1035344341 /nfs/dbraw/zinc/34/43/41/1035344341.db2.gz CKMTZVICDTXMFI-AQNXPRMDSA-N 1 3 300.490 3.779 20 0 DHADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001206302896 1035367514 /nfs/dbraw/zinc/36/75/14/1035367514.db2.gz ACLVMZWKORLGTP-OAHLLOKOSA-N 1 3 318.358 3.795 20 0 DHADHO CN(C)CC[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(C)(C)C ZINC001177822137 1035391668 /nfs/dbraw/zinc/39/16/68/1035391668.db2.gz HRPFDYQBTYUHOX-OAHLLOKOSA-N 1 3 300.849 3.935 20 0 DHADHO CC(C)(C)CC[C@H](N)C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000904329544 1035400549 /nfs/dbraw/zinc/40/05/49/1035400549.db2.gz PHZGZIXWCXGFJQ-KRWDZBQOSA-N 1 3 322.468 3.575 20 0 DHADHO c1nc(C2CC2)c(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)s1 ZINC000904416562 1035411611 /nfs/dbraw/zinc/41/16/11/1035411611.db2.gz OOPFMJKYSCTNLS-CQSZACIVSA-N 1 3 319.518 3.622 20 0 DHADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000195139699 1035416304 /nfs/dbraw/zinc/41/63/04/1035416304.db2.gz ITUNUICBRXEJTE-WBVHZDCISA-N 1 3 300.471 3.921 20 0 DHADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000195139699 1035416306 /nfs/dbraw/zinc/41/63/06/1035416306.db2.gz ITUNUICBRXEJTE-WBVHZDCISA-N 1 3 300.471 3.921 20 0 DHADHO C[C@H](CC[NH2+]Cc1ccc(-c2ccccc2F)s1)N(C)C ZINC001179265700 1035471199 /nfs/dbraw/zinc/47/11/99/1035471199.db2.gz BKMDGQOVJIRXRZ-CYBMUJFWSA-N 1 3 306.450 3.984 20 0 DHADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c(C)c1 ZINC001204249057 1035484488 /nfs/dbraw/zinc/48/44/88/1035484488.db2.gz LQKWYQIIPAANBI-FXAWDEMLSA-N 1 3 318.505 3.946 20 0 DHADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c(C)c1 ZINC001204249057 1035484490 /nfs/dbraw/zinc/48/44/90/1035484490.db2.gz LQKWYQIIPAANBI-FXAWDEMLSA-N 1 3 318.505 3.946 20 0 DHADHO COCc1c(C)cc(C)c(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC001180091819 1035575924 /nfs/dbraw/zinc/57/59/24/1035575924.db2.gz GSNXXXRJZYAIAU-AEFFLSMTSA-N 1 3 318.505 3.673 20 0 DHADHO COCc1c(C)cc(C)c(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC001180091819 1035575935 /nfs/dbraw/zinc/57/59/35/1035575935.db2.gz GSNXXXRJZYAIAU-AEFFLSMTSA-N 1 3 318.505 3.673 20 0 DHADHO COCc1c(C)cc(C)c(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC001180091820 1035576968 /nfs/dbraw/zinc/57/69/68/1035576968.db2.gz GSNXXXRJZYAIAU-FUHWJXTLSA-N 1 3 318.505 3.673 20 0 DHADHO COCc1c(C)cc(C)c(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC001180091820 1035576978 /nfs/dbraw/zinc/57/69/78/1035576978.db2.gz GSNXXXRJZYAIAU-FUHWJXTLSA-N 1 3 318.505 3.673 20 0 DHADHO CCCN1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000190811390 1035635925 /nfs/dbraw/zinc/63/59/25/1035635925.db2.gz VKXHHTOVVAKSHP-UHFFFAOYSA-N 1 3 314.395 3.978 20 0 DHADHO CCCCN1CCC([NH2+][C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191233641 1035670046 /nfs/dbraw/zinc/67/00/46/1035670046.db2.gz CVNKOYCTOGTMIJ-HNNXBMFYSA-N 1 3 306.498 3.688 20 0 DHADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC001193649435 1035691308 /nfs/dbraw/zinc/69/13/08/1035691308.db2.gz QEGPPYFGVGRFIS-VAMGGRTRSA-N 1 3 300.490 3.862 20 0 DHADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCCC1)CCS2 ZINC000191489355 1035696578 /nfs/dbraw/zinc/69/65/78/1035696578.db2.gz XTKXMQIKSWPNDO-KRWDZBQOSA-N 1 3 320.502 3.698 20 0 DHADHO COc1ccc([C@H]([NH2+]CC[C@H]2CCCCN2C)C2CC2)cc1 ZINC000539494042 1035745043 /nfs/dbraw/zinc/74/50/43/1035745043.db2.gz VYULHQQATHCGJL-IEBWSBKVSA-N 1 3 302.462 3.610 20 0 DHADHO COc1ccc([C@H](NCC[C@H]2CCCC[N@@H+]2C)C2CC2)cc1 ZINC000539494042 1035745060 /nfs/dbraw/zinc/74/50/60/1035745060.db2.gz VYULHQQATHCGJL-IEBWSBKVSA-N 1 3 302.462 3.610 20 0 DHADHO COc1ccc([C@H](NCC[C@H]2CCCC[N@H+]2C)C2CC2)cc1 ZINC000539494042 1035745076 /nfs/dbraw/zinc/74/50/76/1035745076.db2.gz VYULHQQATHCGJL-IEBWSBKVSA-N 1 3 302.462 3.610 20 0 DHADHO Clc1ccc([C@H]2OCC[C@@H]2[NH2+]CCCN2CCCCC2)cc1 ZINC000192023089 1035749351 /nfs/dbraw/zinc/74/93/51/1035749351.db2.gz BGYHLFBKFPCPHK-ZWKOTPCHSA-N 1 3 322.880 3.636 20 0 DHADHO COc1cccc([C@@H]2CCC[N@@H+]2CCCN2CCCCC2)c1 ZINC000195632304 1035934818 /nfs/dbraw/zinc/93/48/18/1035934818.db2.gz GSVDRPQYEGZZJN-IBGZPJMESA-N 1 3 302.462 3.708 20 0 DHADHO COc1cccc([C@@H]2CCC[N@H+]2CCCN2CCCCC2)c1 ZINC000195632304 1035934831 /nfs/dbraw/zinc/93/48/31/1035934831.db2.gz GSVDRPQYEGZZJN-IBGZPJMESA-N 1 3 302.462 3.708 20 0 DHADHO CCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC001181536131 1035935764 /nfs/dbraw/zinc/93/57/64/1035935764.db2.gz YBHJRCRQDAZXTP-AEFFLSMTSA-N 1 3 304.478 3.556 20 0 DHADHO CCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC001181536131 1035935779 /nfs/dbraw/zinc/93/57/79/1035935779.db2.gz YBHJRCRQDAZXTP-AEFFLSMTSA-N 1 3 304.478 3.556 20 0 DHADHO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000540605549 1036108764 /nfs/dbraw/zinc/10/87/64/1036108764.db2.gz AUAHQVILULRHHR-KDOFPFPSSA-N 1 3 322.468 3.754 20 0 DHADHO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1(C)C ZINC000540596395 1036108814 /nfs/dbraw/zinc/10/88/14/1036108814.db2.gz UQSSHKUSNHJXKN-KZNAEPCWSA-N 1 3 310.526 3.680 20 0 DHADHO C[N@H+](C/C=C\c1ccncc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000494923558 1036127297 /nfs/dbraw/zinc/12/72/97/1036127297.db2.gz LVMZGPZYIVYNAJ-DPVXCJKMSA-N 1 3 321.468 3.549 20 0 DHADHO C[N@@H+](C/C=C\c1ccncc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000494923558 1036127304 /nfs/dbraw/zinc/12/73/04/1036127304.db2.gz LVMZGPZYIVYNAJ-DPVXCJKMSA-N 1 3 321.468 3.549 20 0 DHADHO C[N@H+](C/C=C/c1ccncc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000494923559 1036128246 /nfs/dbraw/zinc/12/82/46/1036128246.db2.gz LVMZGPZYIVYNAJ-FERLCFGISA-N 1 3 321.468 3.549 20 0 DHADHO C[N@@H+](C/C=C/c1ccncc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000494923559 1036128261 /nfs/dbraw/zinc/12/82/61/1036128261.db2.gz LVMZGPZYIVYNAJ-FERLCFGISA-N 1 3 321.468 3.549 20 0 DHADHO c1ccc2c(c1)CC[C@@H](C[N@H+]1CC[C@H](CN3CCCCC3)C1)C2 ZINC000541059062 1036227290 /nfs/dbraw/zinc/22/72/90/1036227290.db2.gz BTZYSPIOPHYCHW-RTBURBONSA-N 1 3 312.501 3.599 20 0 DHADHO c1ccc2c(c1)CC[C@@H](C[N@@H+]1CC[C@H](CN3CCCCC3)C1)C2 ZINC000541059062 1036227309 /nfs/dbraw/zinc/22/73/09/1036227309.db2.gz BTZYSPIOPHYCHW-RTBURBONSA-N 1 3 312.501 3.599 20 0 DHADHO c1ccc2c(c1)CCC[C@H]2[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001195534437 1036281442 /nfs/dbraw/zinc/28/14/42/1036281442.db2.gz CYDASKQOGXVQMA-HXUWFJFHSA-N 1 3 307.441 3.671 20 0 DHADHO c1ccc2c(c1)CCC[C@H]2[N@H+]1CCCN(c2ccncc2)CC1 ZINC001195534437 1036281451 /nfs/dbraw/zinc/28/14/51/1036281451.db2.gz CYDASKQOGXVQMA-HXUWFJFHSA-N 1 3 307.441 3.671 20 0 DHADHO Clc1cccc2c1CCC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000541744887 1036413298 /nfs/dbraw/zinc/41/32/98/1036413298.db2.gz QPQOIJDJXKXABA-SCLBCKFNSA-N 1 3 304.865 3.791 20 0 DHADHO Clc1cccc2c1CCC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000541744887 1036413304 /nfs/dbraw/zinc/41/33/04/1036413304.db2.gz QPQOIJDJXKXABA-SCLBCKFNSA-N 1 3 304.865 3.791 20 0 DHADHO CC(C)C[N@H+](C)CCCN[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001182712495 1036433118 /nfs/dbraw/zinc/43/31/18/1036433118.db2.gz ANSGWRQJUWCCPG-RTBURBONSA-N 1 3 318.505 3.800 20 0 DHADHO CC(C)C[N@@H+](C)CCCN[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001182712495 1036433131 /nfs/dbraw/zinc/43/31/31/1036433131.db2.gz ANSGWRQJUWCCPG-RTBURBONSA-N 1 3 318.505 3.800 20 0 DHADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC001182901313 1036480522 /nfs/dbraw/zinc/48/05/22/1036480522.db2.gz AYJNBTVNQLIJCU-HOJAQTOUSA-N 1 3 300.490 3.953 20 0 DHADHO Cc1cc([C@H](C)[NH2+]C[C@H](C)CN(C)C)sc1Br ZINC000491549423 1036601208 /nfs/dbraw/zinc/60/12/08/1036601208.db2.gz VOFTXWSYQVJEST-ONGXEEELSA-N 1 3 319.312 3.667 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000495421057 1036636368 /nfs/dbraw/zinc/63/63/68/1036636368.db2.gz NMEWJWXDJHICAG-BPQIPLTHSA-N 1 3 322.537 3.965 20 0 DHADHO Clc1ccc([C@H]2C[C@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168372661 1036646594 /nfs/dbraw/zinc/64/65/94/1036646594.db2.gz ZUEDLCSYYBNZIP-QZTJIDSGSA-N 1 3 304.865 3.660 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC/C=C\c1ccncc1 ZINC000487308217 1036649546 /nfs/dbraw/zinc/64/95/46/1036649546.db2.gz LAMBBPARSKLPKS-BSPJPZBESA-N 1 3 321.468 3.595 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC/C=C\c1ccncc1 ZINC000487308217 1036649574 /nfs/dbraw/zinc/64/95/74/1036649574.db2.gz LAMBBPARSKLPKS-BSPJPZBESA-N 1 3 321.468 3.595 20 0 DHADHO C[C@@H]1CCN(CCCc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC001205296669 1036836401 /nfs/dbraw/zinc/83/64/01/1036836401.db2.gz SHTPZHQEWBATTC-TZMCWYRMSA-N 1 3 315.288 3.843 20 0 DHADHO C[C@@H]1CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@H]1CN ZINC001205296669 1036836423 /nfs/dbraw/zinc/83/64/23/1036836423.db2.gz SHTPZHQEWBATTC-TZMCWYRMSA-N 1 3 315.288 3.843 20 0 DHADHO C[C@@H]1CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@H]1CN ZINC001205296669 1036836430 /nfs/dbraw/zinc/83/64/30/1036836430.db2.gz SHTPZHQEWBATTC-TZMCWYRMSA-N 1 3 315.288 3.843 20 0 DHADHO CC(C)[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CS1 ZINC000488446241 1037031158 /nfs/dbraw/zinc/03/11/58/1037031158.db2.gz JXHSTUCKGJBLAE-FUHWJXTLSA-N 1 3 310.551 3.903 20 0 DHADHO CC(C)[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000488446241 1037031170 /nfs/dbraw/zinc/03/11/70/1037031170.db2.gz JXHSTUCKGJBLAE-FUHWJXTLSA-N 1 3 310.551 3.903 20 0 DHADHO C[C@H]1CCNCC[N@@H+]1CC(C)(C)Sc1ccc(Cl)cc1 ZINC001205325963 1037078091 /nfs/dbraw/zinc/07/80/91/1037078091.db2.gz SISJMSIFMVWMQP-ZDUSSCGKSA-N 1 3 312.910 3.895 20 0 DHADHO C[C@H]1CCNCC[N@H+]1CC(C)(C)Sc1ccc(Cl)cc1 ZINC001205325963 1037078111 /nfs/dbraw/zinc/07/81/11/1037078111.db2.gz SISJMSIFMVWMQP-ZDUSSCGKSA-N 1 3 312.910 3.895 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[C@H]2CCCCO2)C1 ZINC000347433121 1037188551 /nfs/dbraw/zinc/18/85/51/1037188551.db2.gz GOBBOCSNZCCUQI-GUDVDZBRSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[C@H]2CCCCO2)C1 ZINC000347433121 1037188557 /nfs/dbraw/zinc/18/85/57/1037188557.db2.gz GOBBOCSNZCCUQI-GUDVDZBRSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccsc1 ZINC000178620465 1037328840 /nfs/dbraw/zinc/32/88/40/1037328840.db2.gz BITCCINBMOWPIM-SJLPKXTDSA-N 1 3 314.498 3.963 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(C(C)C)cc32)C1 ZINC000489563302 1037489847 /nfs/dbraw/zinc/48/98/47/1037489847.db2.gz WEGSQNXCNRDWMA-QFBILLFUSA-N 1 3 316.489 3.955 20 0 DHADHO Cc1nc2ccc(C[NH2+][C@H]3CCC[C@@H](N(C)C)C3)cc2s1 ZINC000494078737 1037643444 /nfs/dbraw/zinc/64/34/44/1037643444.db2.gz LPBVKZSCQCLFSV-LSDHHAIUSA-N 1 3 303.475 3.567 20 0 DHADHO Cc1c[nH+]ccc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201470439 1037686915 /nfs/dbraw/zinc/68/69/15/1037686915.db2.gz SJQRZVBKBFDOFK-MOPGFXCFSA-N 1 3 305.425 3.545 20 0 DHADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(C[C@H](C)CCC=C(C)C)CC1 ZINC001201492217 1037715637 /nfs/dbraw/zinc/71/56/37/1037715637.db2.gz YGBXIWQTZALTGH-UYAOXDASSA-N 1 3 322.537 3.944 20 0 DHADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(C[C@H](C)CCC=C(C)C)CC1 ZINC001201492217 1037715659 /nfs/dbraw/zinc/71/56/59/1037715659.db2.gz YGBXIWQTZALTGH-UYAOXDASSA-N 1 3 322.537 3.944 20 0 DHADHO CC(C)[C@H]1COCC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000924854509 1037734599 /nfs/dbraw/zinc/73/45/99/1037734599.db2.gz HNAAWDZNYNJLFG-WOJBJXKFSA-N 1 3 322.537 3.682 20 0 DHADHO Cc1ccc(C[N@H+]2C[C@H]3CN(CCc4ccccc4)C[C@H]3C2)cc1 ZINC001201597040 1037771475 /nfs/dbraw/zinc/77/14/75/1037771475.db2.gz RETMQRFADQKEHQ-SZPZYZBQSA-N 1 3 320.480 3.601 20 0 DHADHO Cc1ccc(C[N@@H+]2C[C@H]3CN(CCc4ccccc4)C[C@H]3C2)cc1 ZINC001201597040 1037771492 /nfs/dbraw/zinc/77/14/92/1037771492.db2.gz RETMQRFADQKEHQ-SZPZYZBQSA-N 1 3 320.480 3.601 20 0 DHADHO Cc1ccc(C[NH+]2C[C@@H]3CN(CCc4ccccc4)C[C@H]3C2)cc1 ZINC001201597042 1037774106 /nfs/dbraw/zinc/77/41/06/1037774106.db2.gz RETMQRFADQKEHQ-VXKWHMMOSA-N 1 3 320.480 3.601 20 0 DHADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCc3ccc(OC)cc32)c1 ZINC000123920554 1037873038 /nfs/dbraw/zinc/87/30/38/1037873038.db2.gz VGFBZPBXBAYYIU-NRFANRHFSA-N 1 3 324.468 3.924 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCc3ccc(OC)cc32)c1 ZINC000123920554 1037873054 /nfs/dbraw/zinc/87/30/54/1037873054.db2.gz VGFBZPBXBAYYIU-NRFANRHFSA-N 1 3 324.468 3.924 20 0 DHADHO CCN1CC[C@@H](C[NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000124155636 1037886320 /nfs/dbraw/zinc/88/63/20/1037886320.db2.gz IJTOFLGEFCEYKN-NRFANRHFSA-N 1 3 322.496 3.772 20 0 DHADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000124388982 1037897312 /nfs/dbraw/zinc/89/73/12/1037897312.db2.gz LEDJNWZSBQKCLU-JSGCOSHPSA-N 1 3 321.534 3.884 20 0 DHADHO COc1ccc(Cl)cc1CNCCCC[NH+]1CCC(C)CC1 ZINC000916834181 1037989864 /nfs/dbraw/zinc/98/98/64/1037989864.db2.gz GFOJYOQEKUVWEI-UHFFFAOYSA-N 1 3 324.896 3.950 20 0 DHADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCC34CCCC4)C2)cc1 ZINC000189110357 1038062213 /nfs/dbraw/zinc/06/22/13/1038062213.db2.gz WVYNWQJSJBCMJV-WOJBJXKFSA-N 1 3 312.501 3.863 20 0 DHADHO Cc1ccoc1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000571339653 1038130155 /nfs/dbraw/zinc/13/01/55/1038130155.db2.gz SOYAAEHULLXEDV-MOPGFXCFSA-N 1 3 310.441 3.542 20 0 DHADHO Cc1ccoc1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000571339653 1038130160 /nfs/dbraw/zinc/13/01/60/1038130160.db2.gz SOYAAEHULLXEDV-MOPGFXCFSA-N 1 3 310.441 3.542 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)ccc1OC ZINC000775381107 1038307566 /nfs/dbraw/zinc/30/75/66/1038307566.db2.gz ATYRKAHTEUURPK-ZOBUZTSGSA-N 1 3 304.478 3.844 20 0 DHADHO COCC[C@H](c1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001191070939 1038431107 /nfs/dbraw/zinc/43/11/07/1038431107.db2.gz QWCCLBGYBFGHLG-AZUAARDMSA-N 1 3 316.489 3.572 20 0 DHADHO COCC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001191070939 1038431111 /nfs/dbraw/zinc/43/11/11/1038431111.db2.gz QWCCLBGYBFGHLG-AZUAARDMSA-N 1 3 316.489 3.572 20 0 DHADHO COCC[C@H](c1ccccc1)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001191070939 1038431112 /nfs/dbraw/zinc/43/11/12/1038431112.db2.gz QWCCLBGYBFGHLG-AZUAARDMSA-N 1 3 316.489 3.572 20 0 DHADHO C[NH2+]CC1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000574277701 1039507165 /nfs/dbraw/zinc/50/71/65/1039507165.db2.gz RKNOEOHHBXYPRQ-UHFFFAOYSA-N 1 3 315.288 3.857 20 0 DHADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccnc1Cl ZINC000157921222 1039683886 /nfs/dbraw/zinc/68/38/86/1039683886.db2.gz YCYHUUVNJLQDST-GJZGRUSLSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cccnc1Cl ZINC000157921222 1039683891 /nfs/dbraw/zinc/68/38/91/1039683891.db2.gz YCYHUUVNJLQDST-GJZGRUSLSA-N 1 3 309.885 3.898 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000608067707 1040365693 /nfs/dbraw/zinc/36/56/93/1040365693.db2.gz NJEBTXMOTPYEGS-XHDPSFHLSA-N 1 3 301.261 3.813 20 0 DHADHO C[NH+](C)CCOc1ccccc1CN[C@@H](c1ccccc1)C1CC1 ZINC000091312933 193038559 /nfs/dbraw/zinc/03/85/59/193038559.db2.gz GHRCQDUJTVJWEQ-NRFANRHFSA-N 1 3 324.468 3.868 20 0 DHADHO COc1ccc2cc(CN(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2c1 ZINC000093643871 193280166 /nfs/dbraw/zinc/28/01/66/193280166.db2.gz MBCIQSNSLLDXFJ-DNVCBOLYSA-N 1 3 312.457 3.763 20 0 DHADHO COc1ccc2cc(CN(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2c1 ZINC000093643871 193280167 /nfs/dbraw/zinc/28/01/67/193280167.db2.gz MBCIQSNSLLDXFJ-DNVCBOLYSA-N 1 3 312.457 3.763 20 0 DHADHO CC1CC[NH+](CCCCN[C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281305421 130851471 /nfs/dbraw/zinc/85/14/71/130851471.db2.gz RNWWSJAQHGMZCY-IBGZPJMESA-N 1 3 319.468 3.774 20 0 DHADHO CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000284424590 131079948 /nfs/dbraw/zinc/07/99/48/131079948.db2.gz OVGCVSZJLGLTLT-YVWKXTFCSA-N 1 3 316.489 3.617 20 0 DHADHO C[NH+](C)CCOc1cccc(CNCc2ccc3occc3c2)c1 ZINC000285574889 131181992 /nfs/dbraw/zinc/18/19/92/131181992.db2.gz WLBVPJCVBBITLY-UHFFFAOYSA-N 1 3 324.424 3.663 20 0 DHADHO Clc1cccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000366661597 131399697 /nfs/dbraw/zinc/39/96/97/131399697.db2.gz DFSTWUDCDJORPA-VDHUWJSZSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1cccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000366661597 131399699 /nfs/dbraw/zinc/39/96/99/131399699.db2.gz DFSTWUDCDJORPA-VDHUWJSZSA-N 1 3 304.865 3.802 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)c2ccccc2O1 ZINC000297389736 132013514 /nfs/dbraw/zinc/01/35/14/132013514.db2.gz JHFHSNBBYCFWSZ-DNVCBOLYSA-N 1 3 323.440 3.552 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000570826329 332824624 /nfs/dbraw/zinc/82/46/24/332824624.db2.gz AGPUYLQTRHUVKS-XJKCOSOUSA-N 1 3 310.388 3.525 20 0 DHADHO Cc1cccc(C[NH+]2CCN(c3ccnc4ccccc43)CC2)c1 ZINC000518348846 332016810 /nfs/dbraw/zinc/01/68/10/332016810.db2.gz WTOSRUQTSKLJOO-UHFFFAOYSA-N 1 3 317.436 3.865 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CC[C@H]2CCc3ccccc32)CC1 ZINC000449381085 332099247 /nfs/dbraw/zinc/09/92/47/332099247.db2.gz XPQBBZNIXFAYFQ-QGZVFWFLSA-N 1 3 300.490 3.959 20 0 DHADHO CC(C)(C)[NH+]1CCC(NCC[C@H]2CCc3ccccc32)CC1 ZINC000449381085 332099248 /nfs/dbraw/zinc/09/92/48/332099248.db2.gz XPQBBZNIXFAYFQ-QGZVFWFLSA-N 1 3 300.490 3.959 20 0 DHADHO COc1ccc2cc(CN(C)C[C@@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000092253452 332122870 /nfs/dbraw/zinc/12/28/70/332122870.db2.gz CYFWIWFQIXFFOQ-QGZVFWFLSA-N 1 3 312.457 3.622 20 0 DHADHO COc1ccc2cc(CN(C)C[C@@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000092253452 332122871 /nfs/dbraw/zinc/12/28/71/332122871.db2.gz CYFWIWFQIXFFOQ-QGZVFWFLSA-N 1 3 312.457 3.622 20 0 DHADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCCN1CCCC[C@H]1C ZINC000261770188 332269078 /nfs/dbraw/zinc/26/90/78/332269078.db2.gz VXEDUSFASRYRAK-DLBZAZTESA-N 1 3 304.478 3.567 20 0 DHADHO CSc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000564973190 332328462 /nfs/dbraw/zinc/32/84/62/332328462.db2.gz VJCLMBKIYFWXTI-KBXCAEBGSA-N 1 3 304.503 3.717 20 0 DHADHO CSc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000564973190 332328463 /nfs/dbraw/zinc/32/84/63/332328463.db2.gz VJCLMBKIYFWXTI-KBXCAEBGSA-N 1 3 304.503 3.717 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000566480969 332445884 /nfs/dbraw/zinc/44/58/84/332445884.db2.gz CWZQYSDZQGKIQK-CABCVRRESA-N 1 3 312.379 3.944 20 0 DHADHO Cc1cc(NC[C@@H](c2ccccc2Cl)N2CCCC2)cc[nH+]1 ZINC000569659791 332655298 /nfs/dbraw/zinc/65/52/98/332655298.db2.gz OGJHVBNDHOVMBM-SFHVURJKSA-N 1 3 315.848 3.714 20 0 DHADHO CSC1(C[NH2+][C@@H](C)c2cc3c(s2)CCC3)CCN(C)CC1 ZINC000569860916 332687331 /nfs/dbraw/zinc/68/73/31/332687331.db2.gz GQKKKCWEZJWISE-ZDUSSCGKSA-N 1 3 324.559 3.715 20 0 DHADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3c2cccc3Br)CC[N@@H+]1C ZINC000180562551 333029179 /nfs/dbraw/zinc/02/91/79/333029179.db2.gz MALSBNLUMQAZHI-BFQNTYOBSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3c2cccc3Br)CC[N@H+]1C ZINC000180562551 333029181 /nfs/dbraw/zinc/02/91/81/333029181.db2.gz MALSBNLUMQAZHI-BFQNTYOBSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000314544478 333141732 /nfs/dbraw/zinc/14/17/32/333141732.db2.gz XZFJFWKMPHJLKZ-LBPRGKRZSA-N 1 3 318.383 3.824 20 0 DHADHO C[C@H](CNc1ccnc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000390641760 333310223 /nfs/dbraw/zinc/31/02/23/333310223.db2.gz LJBDGJMFVBNKGF-MRXNPFEDSA-N 1 3 305.425 3.589 20 0 DHADHO C[C@H](CNc1ccnc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000390641760 333310224 /nfs/dbraw/zinc/31/02/24/333310224.db2.gz LJBDGJMFVBNKGF-MRXNPFEDSA-N 1 3 305.425 3.589 20 0 DHADHO CC(C)SCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000390738826 333322301 /nfs/dbraw/zinc/32/23/01/333322301.db2.gz AKMGLLFLINTSAA-GUDVDZBRSA-N 1 3 318.530 3.628 20 0 DHADHO C[NH+]1CCC([C@H]2CCN(C/C=C\c3ccc(F)cc3F)C2)CC1 ZINC000583467927 333360071 /nfs/dbraw/zinc/36/00/71/333360071.db2.gz ZSDRRRBJKVVHLC-KYVUIXNKSA-N 1 3 320.427 3.642 20 0 DHADHO C[C@](O)(C[NH2+]C1CCN(C2CCCCC2)CC1)C1CCCCC1 ZINC000188672834 333385042 /nfs/dbraw/zinc/38/50/42/333385042.db2.gz OEBAWTVVXWWQAE-FQEVSTJZSA-N 1 3 322.537 3.704 20 0 DHADHO C[C@](O)(CNC1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000188672834 333385043 /nfs/dbraw/zinc/38/50/43/333385043.db2.gz OEBAWTVVXWWQAE-FQEVSTJZSA-N 1 3 322.537 3.704 20 0 DHADHO C[C@@H]1C[C@H](N[C@@H]2CCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000311716888 333388043 /nfs/dbraw/zinc/38/80/43/333388043.db2.gz LGIVEGKUQACHKC-DJSGYFEHSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H]1C[C@H](N[C@@H]2CCc3ccc(Br)cc32)CC[N@H+]1C ZINC000311716888 333388044 /nfs/dbraw/zinc/38/80/44/333388044.db2.gz LGIVEGKUQACHKC-DJSGYFEHSA-N 1 3 323.278 3.509 20 0 DHADHO COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000390776566 333392114 /nfs/dbraw/zinc/39/21/14/333392114.db2.gz OZWBTDZPEAKLLD-PKOBYXMFSA-N 1 3 318.505 3.692 20 0 DHADHO COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000390776565 333392318 /nfs/dbraw/zinc/39/23/18/333392318.db2.gz OZWBTDZPEAKLLD-MJGOQNOKSA-N 1 3 318.505 3.692 20 0 DHADHO COC[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C(C)C ZINC000390785366 333393462 /nfs/dbraw/zinc/39/34/62/333393462.db2.gz VZRPVQDUCLZCJZ-VQTJNVASSA-N 1 3 318.505 3.549 20 0 DHADHO COc1cc(-c2ccccc2)ccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000414663526 334061972 /nfs/dbraw/zinc/06/19/72/334061972.db2.gz BFERZCGYFJRDAJ-SXLOBPIMSA-N 1 3 322.452 3.531 20 0 DHADHO CC(C)C[C@H](C)CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000414708180 334071932 /nfs/dbraw/zinc/07/19/32/334071932.db2.gz CNRWAFOLNHUJMC-HKUYNNGSSA-N 1 3 303.494 3.708 20 0 DHADHO c1nc(C2CCCC2)sc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772918 334090465 /nfs/dbraw/zinc/09/04/65/334090465.db2.gz CSOKQHPIGYYVRW-HZPDHXFCSA-N 1 3 319.518 3.622 20 0 DHADHO c1ccc(CC[C@H](Cc2ccccc2)[NH2+]C2CCNCC2)cc1 ZINC000414783237 334094810 /nfs/dbraw/zinc/09/48/10/334094810.db2.gz QEVYPNSVSBQTPW-OAQYLSRUSA-N 1 3 308.469 3.572 20 0 DHADHO C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+]C1CCNCC1 ZINC000414787578 334096452 /nfs/dbraw/zinc/09/64/52/334096452.db2.gz ZEUVXQXGIPUEMN-QPJJXVBHSA-N 1 3 322.452 3.620 20 0 DHADHO CC(C)[C@@H]([NH3+])CN[C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414800602 334101509 /nfs/dbraw/zinc/10/15/09/334101509.db2.gz SFSIRAOGUZEPNR-DOMZBBRYSA-N 1 3 302.384 3.599 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)c1ccc(C(F)(F)F)cc1 ZINC000414805988 334103516 /nfs/dbraw/zinc/10/35/16/334103516.db2.gz QARZKXRNWRSAOO-INWMFGNUSA-N 1 3 314.395 3.916 20 0 DHADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414821088 334108471 /nfs/dbraw/zinc/10/84/71/334108471.db2.gz KPPRCDYTJVEHSE-NILFDRSVSA-N 1 3 300.368 3.668 20 0 DHADHO C[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414821088 334108472 /nfs/dbraw/zinc/10/84/72/334108472.db2.gz KPPRCDYTJVEHSE-NILFDRSVSA-N 1 3 300.368 3.668 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000414827960 334109672 /nfs/dbraw/zinc/10/96/72/334109672.db2.gz LHTFXPBACVISNX-LSTHTHJFSA-N 1 3 316.489 3.699 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414827792 334109760 /nfs/dbraw/zinc/10/97/60/334109760.db2.gz YKHPUMIBZVKTFZ-AGIUHOORSA-N 1 3 315.288 3.902 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414827792 334109761 /nfs/dbraw/zinc/10/97/61/334109761.db2.gz YKHPUMIBZVKTFZ-AGIUHOORSA-N 1 3 315.288 3.902 20 0 DHADHO CC(C)c1ccc([C@@H](N)CNC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000414843245 334113091 /nfs/dbraw/zinc/11/30/91/334113091.db2.gz JQIIYDICWVPLFR-IBGZPJMESA-N 1 3 317.521 3.662 20 0 DHADHO Cc1ccc(-c2nc(CNCC[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414847303 334119432 /nfs/dbraw/zinc/11/94/32/334119432.db2.gz IUBDEGPKRGFWGJ-OAHLLOKOSA-N 1 3 315.486 3.598 20 0 DHADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC1([NH3+])CCCCC1 ZINC000414848087 334120404 /nfs/dbraw/zinc/12/04/04/334120404.db2.gz VSSUAIXQHBEUGJ-ZDUSSCGKSA-N 1 3 314.395 3.888 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414854980 334128097 /nfs/dbraw/zinc/12/80/97/334128097.db2.gz MMBPGYITWCADGQ-VNHYZAJKSA-N 1 3 314.395 3.614 20 0 DHADHO FC(F)(F)c1cccc(CCCC[NH2+]C[C@H]2CCCNC2)c1 ZINC000414859198 334132289 /nfs/dbraw/zinc/13/22/89/334132289.db2.gz SYNOLAVDLQRCBV-OAHLLOKOSA-N 1 3 314.395 3.617 20 0 DHADHO C[C@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)[C@H]1CCCNC1 ZINC000414865668 334135840 /nfs/dbraw/zinc/13/58/40/334135840.db2.gz ZLJUUVSXUPXIID-BEEJXANESA-N 1 3 300.490 3.865 20 0 DHADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414876311 334146612 /nfs/dbraw/zinc/14/66/12/334146612.db2.gz LDCPVTCQDABGCN-KCPJHIHWSA-N 1 3 300.368 3.526 20 0 DHADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414876312 334146717 /nfs/dbraw/zinc/14/67/17/334146717.db2.gz LDCPVTCQDABGCN-UGFHNGPFSA-N 1 3 300.368 3.526 20 0 DHADHO CC(C)Cc1ccc(CNCCC[NH2+]Cc2cccnc2)cc1 ZINC000414879625 334149106 /nfs/dbraw/zinc/14/91/06/334149106.db2.gz PIRSDINRKNCNPZ-UHFFFAOYSA-N 1 3 311.473 3.550 20 0 DHADHO COc1ccc(C2CCC([NH2+]C[C@@]3(C)CCCNC3)CC2)cc1 ZINC000414901385 334164630 /nfs/dbraw/zinc/16/46/30/334164630.db2.gz FWRULBPXRNXJHT-NLPFYKDJSA-N 1 3 316.489 3.701 20 0 DHADHO C[C@@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000414916534 334177604 /nfs/dbraw/zinc/17/76/04/334177604.db2.gz OTAHFWQFJMTGNT-NWDGAFQWSA-N 1 3 301.261 3.656 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000414922077 334182394 /nfs/dbraw/zinc/18/23/94/334182394.db2.gz GGPKWWKGGXGKBS-UMGGQSCQSA-N 1 3 316.489 3.969 20 0 DHADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000414922075 334182399 /nfs/dbraw/zinc/18/23/99/334182399.db2.gz GGPKWWKGGXGKBS-JYBIWHBTSA-N 1 3 316.489 3.969 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414946367 334205318 /nfs/dbraw/zinc/20/53/18/334205318.db2.gz TWQSXPMKJLRCMQ-ABAIWWIYSA-N 1 3 301.261 3.514 20 0 DHADHO C[C@@H]1C[NH2+]CC[C@@H]1NCCCc1c(Cl)cccc1Cl ZINC000414946367 334205319 /nfs/dbraw/zinc/20/53/19/334205319.db2.gz TWQSXPMKJLRCMQ-ABAIWWIYSA-N 1 3 301.261 3.514 20 0 DHADHO C[C@@H](C[NH2+][C@@H]1CCN[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414952169 334207142 /nfs/dbraw/zinc/20/71/42/334207142.db2.gz QPCTVYJUJKLSDS-YWPYICTPSA-N 1 3 300.368 3.539 20 0 DHADHO C[C@@H](CN[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000414952169 334207143 /nfs/dbraw/zinc/20/71/43/334207143.db2.gz QPCTVYJUJKLSDS-YWPYICTPSA-N 1 3 300.368 3.539 20 0 DHADHO C[C@H](CC[NH2+][C@@H]1CCCNCC1)c1cccc(C(F)(F)F)c1 ZINC000415085494 334274104 /nfs/dbraw/zinc/27/41/04/334274104.db2.gz IHQOCXNHGDTHHI-CZUORRHYSA-N 1 3 314.395 3.931 20 0 DHADHO C[C@H](CCN[C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415085494 334274105 /nfs/dbraw/zinc/27/41/05/334274105.db2.gz IHQOCXNHGDTHHI-CZUORRHYSA-N 1 3 314.395 3.931 20 0 DHADHO FC(F)(F)c1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415036158 334260504 /nfs/dbraw/zinc/26/05/04/334260504.db2.gz FJYVPLIIOFOSNH-GOEBONIOSA-N 1 3 312.379 3.669 20 0 DHADHO c1cncc(-c2cccc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)c1 ZINC000415056981 334261791 /nfs/dbraw/zinc/26/17/91/334261791.db2.gz STSQCKGTLXKORJ-LEWJYISDSA-N 1 3 321.468 3.713 20 0 DHADHO CC(C)C[C@@H]([NH3+])CN[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000415073742 334267527 /nfs/dbraw/zinc/26/75/27/334267527.db2.gz BKRFTHJEEMQVJZ-IUODEOHRSA-N 1 3 302.384 3.599 20 0 DHADHO COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1)CCCS2 ZINC000187710252 334269266 /nfs/dbraw/zinc/26/92/66/334269266.db2.gz CKPRGRWXUYQMEB-QGZVFWFLSA-N 1 3 320.502 3.698 20 0 DHADHO C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000187729093 334269832 /nfs/dbraw/zinc/26/98/32/334269832.db2.gz DHVFAJVFWBXZFQ-HNNXBMFYSA-N 1 3 300.421 3.608 20 0 DHADHO C[C@@H]1C[C@H](CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[NH2+]1 ZINC000415089729 334279624 /nfs/dbraw/zinc/27/96/24/334279624.db2.gz WQLIYMVHCJBSJO-JMSVASOKSA-N 1 3 318.358 3.797 20 0 DHADHO CC(C)c1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415130715 334285586 /nfs/dbraw/zinc/28/55/86/334285586.db2.gz RLIGGYBNTXGWEJ-WOJBJXKFSA-N 1 3 316.489 3.528 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(Oc2ccccc2)cc1 ZINC000531962003 334312612 /nfs/dbraw/zinc/31/26/12/334312612.db2.gz KUEKSKZEQOGWFZ-JXFKEZNVSA-N 1 3 310.441 3.909 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(Oc2ccccc2)cc1 ZINC000531962003 334312613 /nfs/dbraw/zinc/31/26/13/334312613.db2.gz KUEKSKZEQOGWFZ-JXFKEZNVSA-N 1 3 310.441 3.909 20 0 DHADHO C[NH+](C)CC1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000341189398 334422312 /nfs/dbraw/zinc/42/23/12/334422312.db2.gz MBRUCOVBSNMAAH-UHFFFAOYSA-N 1 3 317.864 3.662 20 0 DHADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CCCC3(C)C)cc2)CC1 ZINC000342815223 334580122 /nfs/dbraw/zinc/58/01/22/334580122.db2.gz ZNEBKHORTKAXOJ-IBGZPJMESA-N 1 3 316.489 3.828 20 0 DHADHO C[C@H](C[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1)CN(C)C ZINC000425944019 334787756 /nfs/dbraw/zinc/78/77/56/334787756.db2.gz UYLGNVCEAPSZHA-ZIAGYGMSSA-N 1 3 316.411 3.814 20 0 DHADHO CC[C@H](N[C@H](C)CC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000345153257 335301961 /nfs/dbraw/zinc/30/19/61/335301961.db2.gz BXQMCXPLZHNMOM-DOMZBBRYSA-N 1 3 300.393 3.669 20 0 DHADHO CCN(Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345181282 335305567 /nfs/dbraw/zinc/30/55/67/335305567.db2.gz QDSPSKBFASCPIB-AWEZNQCLSA-N 1 3 316.367 3.549 20 0 DHADHO CN1CCC2(CCC[N@@H+]2Cc2cccc(-c3ccccn3)c2)CC1 ZINC000351496198 336038448 /nfs/dbraw/zinc/03/84/48/336038448.db2.gz SOJHEFNBZDRGJK-UHFFFAOYSA-N 1 3 321.468 3.809 20 0 DHADHO CN1CCC2(CCC[N@H+]2Cc2cccc(-c3ccccn3)c2)CC1 ZINC000351496198 336038449 /nfs/dbraw/zinc/03/84/49/336038449.db2.gz SOJHEFNBZDRGJK-UHFFFAOYSA-N 1 3 321.468 3.809 20 0 DHADHO CCc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2n1 ZINC000301775046 336329043 /nfs/dbraw/zinc/32/90/43/336329043.db2.gz GCHLEJIBQQGHHE-KXBFYZLASA-N 1 3 309.457 3.718 20 0 DHADHO CCc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2n1 ZINC000301775046 336329044 /nfs/dbraw/zinc/32/90/44/336329044.db2.gz GCHLEJIBQQGHHE-KXBFYZLASA-N 1 3 309.457 3.718 20 0 DHADHO CCCc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c2ccccc2n1 ZINC000301790551 336330097 /nfs/dbraw/zinc/33/00/97/336330097.db2.gz NFMCTUSIBDRQND-QGZVFWFLSA-N 1 3 309.457 3.862 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000514104554 336352242 /nfs/dbraw/zinc/35/22/42/336352242.db2.gz KSOUJFIQRDMXHU-PMPSAXMXSA-N 1 3 312.379 3.668 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000514104554 336352243 /nfs/dbraw/zinc/35/22/43/336352243.db2.gz KSOUJFIQRDMXHU-PMPSAXMXSA-N 1 3 312.379 3.668 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000514104554 336352244 /nfs/dbraw/zinc/35/22/44/336352244.db2.gz KSOUJFIQRDMXHU-PMPSAXMXSA-N 1 3 312.379 3.668 20 0 DHADHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000314731965 336382364 /nfs/dbraw/zinc/38/23/64/336382364.db2.gz NFZPHTDNAQXXBV-IAGOWNOFSA-N 1 3 304.478 3.858 20 0 DHADHO COCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCC(C)CC2)CC1 ZINC000370305451 336882206 /nfs/dbraw/zinc/88/22/06/336882206.db2.gz KQNLETOVYYOZRM-YTQPIUFNSA-N 1 3 322.537 3.824 20 0 DHADHO COCC[C@H]1CCC[C@H]1[NH2+]C1CCN(C2CCC(C)CC2)CC1 ZINC000370305449 336882238 /nfs/dbraw/zinc/88/22/38/336882238.db2.gz KQNLETOVYYOZRM-LNXHZJMOSA-N 1 3 322.537 3.824 20 0 DHADHO CN1CCC2(CCC[N@@H+]2Cc2cccc(-c3cccnc3)c2)CC1 ZINC000375510116 337012437 /nfs/dbraw/zinc/01/24/37/337012437.db2.gz XMKZNEGSGXZCTB-UHFFFAOYSA-N 1 3 321.468 3.809 20 0 DHADHO CN1CCC2(CCC[N@H+]2Cc2cccc(-c3cccnc3)c2)CC1 ZINC000375510116 337012438 /nfs/dbraw/zinc/01/24/38/337012438.db2.gz XMKZNEGSGXZCTB-UHFFFAOYSA-N 1 3 321.468 3.809 20 0 DHADHO c1ccc(C([NH2+]C[C@H]2CCN(C3CC3)C2)c2ccccc2)cc1 ZINC000193508808 337034689 /nfs/dbraw/zinc/03/46/89/337034689.db2.gz IBWRLFYSDMFEJW-QGZVFWFLSA-N 1 3 306.453 3.850 20 0 DHADHO C[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)c1ccoc1 ZINC000178222488 337161514 /nfs/dbraw/zinc/16/15/14/337161514.db2.gz QPNBIWGQAFPSJS-AWEZNQCLSA-N 1 3 304.459 3.904 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000583136648 337243530 /nfs/dbraw/zinc/24/35/30/337243530.db2.gz IXLSLTCLQPCJKV-CXAGYDPISA-N 1 3 312.860 3.684 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000583136648 337243531 /nfs/dbraw/zinc/24/35/31/337243531.db2.gz IXLSLTCLQPCJKV-CXAGYDPISA-N 1 3 312.860 3.684 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cccc(-c3cccnc3)c2)[C@H]2CCC[C@@H]21 ZINC000583220732 337277664 /nfs/dbraw/zinc/27/76/64/337277664.db2.gz VAVKAZGOHUCAKB-HKBOAZHASA-N 1 3 321.468 3.711 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cccc(-c3cccnc3)c2)[C@H]2CCC[C@@H]21 ZINC000583220732 337277665 /nfs/dbraw/zinc/27/76/65/337277665.db2.gz VAVKAZGOHUCAKB-HKBOAZHASA-N 1 3 321.468 3.711 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2cscc2C(F)(F)F)C1 ZINC000459773869 337282884 /nfs/dbraw/zinc/28/28/84/337282884.db2.gz IXNQZXRMIDJQDM-NSHDSACASA-N 1 3 306.397 3.588 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2cscc2C(F)(F)F)C1 ZINC000459773869 337282885 /nfs/dbraw/zinc/28/28/85/337282885.db2.gz IXNQZXRMIDJQDM-NSHDSACASA-N 1 3 306.397 3.588 20 0 DHADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000584665185 337379827 /nfs/dbraw/zinc/37/98/27/337379827.db2.gz CLSBDPXMWJMFFE-MJQMVNBJSA-N 1 3 302.462 3.545 20 0 DHADHO CCCCOc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000583899641 337384693 /nfs/dbraw/zinc/38/46/93/337384693.db2.gz ZFDHLNBHTGCUHJ-ICSRJNTNSA-N 1 3 316.489 3.782 20 0 DHADHO CCCCOc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000583899641 337384694 /nfs/dbraw/zinc/38/46/94/337384694.db2.gz ZFDHLNBHTGCUHJ-ICSRJNTNSA-N 1 3 316.489 3.782 20 0 DHADHO c1cc(-c2ccccc2)sc1C[NH2+]CCCN1CCCC1 ZINC000035015767 337392312 /nfs/dbraw/zinc/39/23/12/337392312.db2.gz TYQUBCZYLHEMAA-UHFFFAOYSA-N 1 3 300.471 3.991 20 0 DHADHO CC[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CCO1 ZINC000421385151 337529845 /nfs/dbraw/zinc/52/98/45/337529845.db2.gz NHMUNMYCKNBQKP-NXWXRZEISA-N 1 3 308.510 3.577 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000422719543 337684129 /nfs/dbraw/zinc/68/41/29/337684129.db2.gz YQANPIXCQGYVSH-HOCLYGCPSA-N 1 3 311.473 3.866 20 0 DHADHO c1ccc(SCCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422764931 337685662 /nfs/dbraw/zinc/68/56/62/337685662.db2.gz VOQAPXBNRILOCD-KSZLIROESA-N 1 3 304.503 3.679 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000422772670 337685802 /nfs/dbraw/zinc/68/58/02/337685802.db2.gz XLQNKSRDJYHYBA-YRISNDGFSA-N 1 3 323.484 3.911 20 0 DHADHO COC[C@@H](N[C@H](C)CCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422773001 337685805 /nfs/dbraw/zinc/68/58/05/337685805.db2.gz ZZZITFCSZMOYRL-IUODEOHRSA-N 1 3 318.383 3.500 20 0 DHADHO CC[C@@H](NC1CCC(C[NH3+])CC1)c1nc(C(F)(F)F)cs1 ZINC000422815363 337687880 /nfs/dbraw/zinc/68/78/80/337687880.db2.gz XMZNGALRQOPEIU-VQXHTEKXSA-N 1 3 321.412 3.720 20 0 DHADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000422870378 337689458 /nfs/dbraw/zinc/68/94/58/337689458.db2.gz YRCCWSWWFSNIQS-RTWAWAEBSA-N 1 3 324.468 3.620 20 0 DHADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422910728 337691015 /nfs/dbraw/zinc/69/10/15/337691015.db2.gz RPDUXKGLDFPKOE-WMLDXEAASA-N 1 3 306.881 3.739 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)Cc1ccccc1 ZINC000422912191 337691139 /nfs/dbraw/zinc/69/11/39/337691139.db2.gz MOILEVJCVDTLHB-HNNXBMFYSA-N 1 3 311.473 3.768 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422932639 337692296 /nfs/dbraw/zinc/69/22/96/337692296.db2.gz GEIQSDYCOSDYSS-YOEHRIQHSA-N 1 3 310.869 3.606 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCc1cccc(Cl)c1 ZINC000422937932 337692589 /nfs/dbraw/zinc/69/25/89/337692589.db2.gz DIJAQRSTGQRECJ-ZDUSSCGKSA-N 1 3 317.864 3.786 20 0 DHADHO Clc1cccc(CCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422943824 337692875 /nfs/dbraw/zinc/69/28/75/337692875.db2.gz LAHHMCQGXNTRBS-RCCFBDPRSA-N 1 3 306.881 3.783 20 0 DHADHO Cc1cccc(O[C@H]2CCCC[C@@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423000841 337694281 /nfs/dbraw/zinc/69/42/81/337694281.db2.gz VTJFWKPCAPHTHH-VQIQGZIGSA-N 1 3 314.473 3.558 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422951058 337694537 /nfs/dbraw/zinc/69/45/37/337694537.db2.gz XGUYMHIEBLNCNM-ILXRZTDVSA-N 1 3 308.466 3.651 20 0 DHADHO CC[C@H](CSc1ccc(C)c(C)c1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000423007875 337695457 /nfs/dbraw/zinc/69/54/57/337695457.db2.gz YWLWRDWASSVVMN-IXDOHACOSA-N 1 3 306.519 3.762 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423057625 337697506 /nfs/dbraw/zinc/69/75/06/337697506.db2.gz HNVSNTQXVGIHJJ-WOSRLPQWSA-N 1 3 314.395 3.787 20 0 DHADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)c1ccc(C(F)(F)F)cc1 ZINC000423068653 337698118 /nfs/dbraw/zinc/69/81/18/337698118.db2.gz KJFARHGUPSSXES-SWLSCSKDSA-N 1 3 314.395 3.700 20 0 DHADHO Fc1ccccc1[C@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423092788 337699085 /nfs/dbraw/zinc/69/90/85/337699085.db2.gz DLNNBGWCYYRYPB-NZMUHZMNSA-N 1 3 302.437 3.582 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423098636 337699320 /nfs/dbraw/zinc/69/93/20/337699320.db2.gz CZYUPKLJEFZXEL-RWSFTLGLSA-N 1 3 316.367 3.752 20 0 DHADHO Cc1cc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423134183 337701120 /nfs/dbraw/zinc/70/11/20/337701120.db2.gz DLYRZKOGSIKKLG-JQHSSLGASA-N 1 3 306.881 3.701 20 0 DHADHO Cc1cccnc1C(C)(C)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423142445 337701428 /nfs/dbraw/zinc/70/14/28/337701428.db2.gz VFRJOIPIZPMWTR-IRXDYDNUSA-N 1 3 303.494 3.568 20 0 DHADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H]1CCCNC1 ZINC000423212479 337704376 /nfs/dbraw/zinc/70/43/76/337704376.db2.gz LZPVFCRNLOTAQY-CVEARBPZSA-N 1 3 313.489 3.813 20 0 DHADHO CC[C@@H](NC[C@@H](C)C[NH2+]C)c1ccc2cc(OC)ccc2c1 ZINC000423255781 337707739 /nfs/dbraw/zinc/70/77/39/337707739.db2.gz ATUBAKHZHBAXCV-IFXJQAMLSA-N 1 3 300.446 3.745 20 0 DHADHO C[NH2+]C[C@H](C)CN[C@H](Cc1ccccc1)c1sccc1C ZINC000423281587 337709383 /nfs/dbraw/zinc/70/93/83/337709383.db2.gz VUPVUSTXWABNPN-WMLDXEAASA-N 1 3 302.487 3.785 20 0 DHADHO Cc1c([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cnn1C(C)(C)C ZINC000423291922 337710090 /nfs/dbraw/zinc/71/00/90/337710090.db2.gz KOMXEMSRORBBNI-UONOGXRCSA-N 1 3 314.477 3.817 20 0 DHADHO COc1ccc(Cl)cc1[C@H](CC(C)C)NCC1=CC[NH2+]CC1 ZINC000423344553 337713182 /nfs/dbraw/zinc/71/31/82/337713182.db2.gz NBRRVGIRNOUUKX-KRWDZBQOSA-N 1 3 322.880 3.945 20 0 DHADHO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423368980 337714759 /nfs/dbraw/zinc/71/47/59/337714759.db2.gz DPJVTVMTTFBPJW-PXNSSMCTSA-N 1 3 321.468 3.809 20 0 DHADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCN[C@@H](C)C2)cc1F ZINC000423366272 337714777 /nfs/dbraw/zinc/71/47/77/337714777.db2.gz CJRLDJJKPNIIMW-DNMXQMFDSA-N 1 3 320.452 3.591 20 0 DHADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000423369567 337715035 /nfs/dbraw/zinc/71/50/35/337715035.db2.gz FDTWQUIKYWXKLR-KKUMJFAQSA-N 1 3 311.267 3.760 20 0 DHADHO Fc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423386669 337717956 /nfs/dbraw/zinc/71/79/56/337717956.db2.gz MHRUPGDNYNDIEQ-VQTJNVASSA-N 1 3 310.416 3.855 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(SCC(F)F)cc1 ZINC000423388210 337718275 /nfs/dbraw/zinc/71/82/75/337718275.db2.gz NHKHLUZRHKUXAL-IACUBPJLSA-N 1 3 314.445 3.964 20 0 DHADHO C[C@H](CCC[NH3+])N[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423446344 337719578 /nfs/dbraw/zinc/71/95/78/337719578.db2.gz CNCLDSSGWPLOCS-KUHUBIRLSA-N 1 3 309.413 3.634 20 0 DHADHO C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Br ZINC000423465397 337720800 /nfs/dbraw/zinc/72/08/00/337720800.db2.gz RQGJLRXCSIOTPG-RWMBFGLXSA-N 1 3 311.267 3.617 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1CC1(C)C ZINC000423468978 337720974 /nfs/dbraw/zinc/72/09/74/337720974.db2.gz KCDWLEONPQHZKT-SIUPPRGNSA-N 1 3 304.453 3.543 20 0 DHADHO COc1ccsc1[C@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423506360 337723677 /nfs/dbraw/zinc/72/36/77/337723677.db2.gz ILPSRDYBGAZWIV-DZGCQCFKSA-N 1 3 304.459 3.888 20 0 DHADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000423522122 337724539 /nfs/dbraw/zinc/72/45/39/337724539.db2.gz XKWHNXVTVPJINY-YDHLFZDLSA-N 1 3 301.459 3.588 20 0 DHADHO NC1(C[NH2+][C@H]2CCC[C@H]2CCCF)C2CC3CC(C2)CC1C3 ZINC000423531759 337724588 /nfs/dbraw/zinc/72/45/88/337724588.db2.gz UAXGQBOMRDVJBS-HWZUTKJVSA-N 1 3 308.485 3.648 20 0 DHADHO CCOc1ccc(Cl)cc1[C@@H](C)NCCC1=CC[NH2+]CC1 ZINC000423534825 337724851 /nfs/dbraw/zinc/72/48/51/337724851.db2.gz AYPBJFGPRWFMDY-CYBMUJFWSA-N 1 3 308.853 3.699 20 0 DHADHO CCC[NH+]1CCC(CNCc2ccsc2C(F)(F)F)CC1 ZINC000527652140 337756286 /nfs/dbraw/zinc/75/62/86/337756286.db2.gz BRJCVPYHLSMJNG-UHFFFAOYSA-N 1 3 320.424 3.979 20 0 DHADHO CC(C)Cc1ncc(CN2CCC(CC[NH+](C)C)CC2)s1 ZINC000092381393 337903226 /nfs/dbraw/zinc/90/32/26/337903226.db2.gz GZPWXQDAZIFMBM-UHFFFAOYSA-N 1 3 309.523 3.505 20 0 DHADHO CCOC1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCCC1 ZINC000516497243 338013801 /nfs/dbraw/zinc/01/38/01/338013801.db2.gz LKIJCPMQKKSYED-PKOBYXMFSA-N 1 3 322.537 3.968 20 0 DHADHO CCOC1(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CCCC1 ZINC000516497243 338013802 /nfs/dbraw/zinc/01/38/02/338013802.db2.gz LKIJCPMQKKSYED-PKOBYXMFSA-N 1 3 322.537 3.968 20 0 DHADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000428867147 338063527 /nfs/dbraw/zinc/06/35/27/338063527.db2.gz JOBSGMBZYFYQNE-NSHDSACASA-N 1 3 306.397 3.588 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@@H](CNCCSCc2ccccc2)C1 ZINC000430759182 338113913 /nfs/dbraw/zinc/11/39/13/338113913.db2.gz XFADUAXINKPKON-IBGZPJMESA-N 1 3 320.546 3.877 20 0 DHADHO CC(C)C[N@H+]1CCC[C@@H](CNCCSCc2ccccc2)C1 ZINC000430759182 338113914 /nfs/dbraw/zinc/11/39/14/338113914.db2.gz XFADUAXINKPKON-IBGZPJMESA-N 1 3 320.546 3.877 20 0 DHADHO CC(C)CN1CCC[C@@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000430759182 338113915 /nfs/dbraw/zinc/11/39/15/338113915.db2.gz XFADUAXINKPKON-IBGZPJMESA-N 1 3 320.546 3.877 20 0 DHADHO C[C@@H](c1ccc(Br)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431040025 338121105 /nfs/dbraw/zinc/12/11/05/338121105.db2.gz UVZPCCOYBJBFKN-ZDUSSCGKSA-N 1 3 323.278 3.586 20 0 DHADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431348391 338128944 /nfs/dbraw/zinc/12/89/44/338128944.db2.gz JAMGQHJRVOAOTF-SFHVURJKSA-N 1 3 316.489 3.566 20 0 DHADHO CSc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432411546 338155210 /nfs/dbraw/zinc/15/52/10/338155210.db2.gz ZBKNKVQTQOXTJH-HZPDHXFCSA-N 1 3 322.518 3.560 20 0 DHADHO CSc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432411546 338155211 /nfs/dbraw/zinc/15/52/11/338155211.db2.gz ZBKNKVQTQOXTJH-HZPDHXFCSA-N 1 3 322.518 3.560 20 0 DHADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432413441 338155391 /nfs/dbraw/zinc/15/53/91/338155391.db2.gz MOEYIJGXGUIWCC-LMMKCTJWSA-N 1 3 316.489 3.634 20 0 DHADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432413441 338155392 /nfs/dbraw/zinc/15/53/92/338155392.db2.gz MOEYIJGXGUIWCC-LMMKCTJWSA-N 1 3 316.489 3.634 20 0 DHADHO CC(C)c1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432426516 338156236 /nfs/dbraw/zinc/15/62/36/338156236.db2.gz RWVOLQSJTYXZCC-ZWKOTPCHSA-N 1 3 318.505 3.962 20 0 DHADHO CC(C)c1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432426516 338156237 /nfs/dbraw/zinc/15/62/37/338156237.db2.gz RWVOLQSJTYXZCC-ZWKOTPCHSA-N 1 3 318.505 3.962 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000435375328 338238290 /nfs/dbraw/zinc/23/82/90/338238290.db2.gz LZLCHDKQNWKYMY-QAPCUYQASA-N 1 3 310.441 3.531 20 0 DHADHO COc1cc2ccccc2cc1CN1CCC(C[NH+](C)C)CC1 ZINC000449011754 338582992 /nfs/dbraw/zinc/58/29/92/338582992.db2.gz ULZLZMVRFWRVRI-UHFFFAOYSA-N 1 3 312.457 3.622 20 0 DHADHO CC[C@H](C)[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)OC ZINC000449403693 338621364 /nfs/dbraw/zinc/62/13/64/338621364.db2.gz RBLIEONQHRDNGO-ISARSNTHSA-N 1 3 310.526 3.680 20 0 DHADHO COCC1(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCCC1 ZINC000449741553 338649546 /nfs/dbraw/zinc/64/95/46/338649546.db2.gz KWVLFWSOWDMMCA-PKOBYXMFSA-N 1 3 322.537 3.826 20 0 DHADHO c1cc(N2CCC([NH2+][C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)ccn1 ZINC000459379015 339025747 /nfs/dbraw/zinc/02/57/47/339025747.db2.gz OROKOQRACHIHCE-ZIFCJYIRSA-N 1 3 313.489 3.999 20 0 DHADHO CCCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459409627 339027611 /nfs/dbraw/zinc/02/76/11/339027611.db2.gz RDTLIIQUULVOQU-VQIMIIECSA-N 1 3 301.478 3.999 20 0 DHADHO Cc1ccc(C[C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c(C)c1 ZINC000459414829 339027861 /nfs/dbraw/zinc/02/78/61/339027861.db2.gz OTTLMOUIDHKOAQ-SFHVURJKSA-N 1 3 323.484 3.888 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000459426606 339028466 /nfs/dbraw/zinc/02/84/66/339028466.db2.gz MKZVIJRZYDBEQG-KKXNLOMOSA-N 1 3 300.490 3.817 20 0 DHADHO CC(C)[N@@H+]1CCC[C@@H](CNC2CC(C)(c3ccccc3)C2)C1 ZINC000459426606 339028467 /nfs/dbraw/zinc/02/84/67/339028467.db2.gz MKZVIJRZYDBEQG-KKXNLOMOSA-N 1 3 300.490 3.817 20 0 DHADHO CC(C)[N@H+]1CCC[C@@H](CNC2CC(C)(c3ccccc3)C2)C1 ZINC000459426606 339028468 /nfs/dbraw/zinc/02/84/68/339028468.db2.gz MKZVIJRZYDBEQG-KKXNLOMOSA-N 1 3 300.490 3.817 20 0 DHADHO CC1CCC(C)(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000459517607 339033792 /nfs/dbraw/zinc/03/37/92/339033792.db2.gz CZAASHSZVHMGAY-UHFFFAOYSA-N 1 3 301.478 3.856 20 0 DHADHO CC(C)O[C@H]1C[C@@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000459630332 339039253 /nfs/dbraw/zinc/03/92/53/339039253.db2.gz IKOGEECOMOPGDZ-GDAAHCPNSA-N 1 3 308.510 3.575 20 0 DHADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000459630332 339039254 /nfs/dbraw/zinc/03/92/54/339039254.db2.gz IKOGEECOMOPGDZ-GDAAHCPNSA-N 1 3 308.510 3.575 20 0 DHADHO CCOc1c(Cl)cccc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459728067 339044645 /nfs/dbraw/zinc/04/46/45/339044645.db2.gz CPCKIBKUKCNALC-CQSZACIVSA-N 1 3 310.869 3.560 20 0 DHADHO CCOc1c(Cl)cccc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459728067 339044646 /nfs/dbraw/zinc/04/46/46/339044646.db2.gz CPCKIBKUKCNALC-CQSZACIVSA-N 1 3 310.869 3.560 20 0 DHADHO CCC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000459779834 339048138 /nfs/dbraw/zinc/04/81/38/339048138.db2.gz UXQFDQAYVHDMFF-LJQANCHMSA-N 1 3 301.478 3.999 20 0 DHADHO CC[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1 ZINC000462750873 339086883 /nfs/dbraw/zinc/08/68/83/339086883.db2.gz RQMRVIGLVYNHNO-IEBWSBKVSA-N 1 3 318.505 3.728 20 0 DHADHO C[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000463267602 339112653 /nfs/dbraw/zinc/11/26/53/339112653.db2.gz PUXFKCQHOQJJLC-LZWOXQAQSA-N 1 3 314.395 3.828 20 0 DHADHO C[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000463267602 339112654 /nfs/dbraw/zinc/11/26/54/339112654.db2.gz PUXFKCQHOQJJLC-LZWOXQAQSA-N 1 3 314.395 3.828 20 0 DHADHO CCN(CC)C[C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000464771956 339152381 /nfs/dbraw/zinc/15/23/81/339152381.db2.gz DJEYAKABCXVUKW-QGZVFWFLSA-N 1 3 308.897 3.936 20 0 DHADHO CCN(CC)C[C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000464771956 339152382 /nfs/dbraw/zinc/15/23/82/339152382.db2.gz DJEYAKABCXVUKW-QGZVFWFLSA-N 1 3 308.897 3.936 20 0 DHADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000467305964 339230676 /nfs/dbraw/zinc/23/06/76/339230676.db2.gz VXZLWGUEKOILKF-ROUUACIJSA-N 1 3 303.494 3.738 20 0 DHADHO CC[N@H+](CCC1CCN([C@H](C)c2cnccn2)CC1)CC(C)C ZINC000467454234 339239523 /nfs/dbraw/zinc/23/95/23/339239523.db2.gz CXZCEHMDQYGMDR-QGZVFWFLSA-N 1 3 318.509 3.618 20 0 DHADHO CC[N@@H+](CCC1CCN([C@H](C)c2cnccn2)CC1)CC(C)C ZINC000467454234 339239524 /nfs/dbraw/zinc/23/95/24/339239524.db2.gz CXZCEHMDQYGMDR-QGZVFWFLSA-N 1 3 318.509 3.618 20 0 DHADHO C[C@H](CC(F)(F)F)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000468032922 339251838 /nfs/dbraw/zinc/25/18/38/339251838.db2.gz DNQSCASTUTZFOF-CHWSQXEVSA-N 1 3 318.383 3.619 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC1CCOCC1 ZINC000468553076 339266140 /nfs/dbraw/zinc/26/61/40/339266140.db2.gz JJKGKHRMJQZMMX-YTQUADARSA-N 1 3 310.526 3.682 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@H](C)C1 ZINC000468812248 339271498 /nfs/dbraw/zinc/27/14/98/339271498.db2.gz CTLZCICDTIQCCR-VQIMIIECSA-N 1 3 316.489 3.828 20 0 DHADHO Clc1ccc(SC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000469974245 339306304 /nfs/dbraw/zinc/30/63/04/339306304.db2.gz RDJPIUUHOUOGHK-CQSZACIVSA-N 1 3 324.921 3.896 20 0 DHADHO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000470003274 339308158 /nfs/dbraw/zinc/30/81/58/339308158.db2.gz PGQIHMCCNCHPGX-GFCCVEGCSA-N 1 3 306.862 3.849 20 0 DHADHO CCC(O)(CC)CCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000471782233 339353785 /nfs/dbraw/zinc/35/37/85/339353785.db2.gz RVNFPAQWCCRTIM-WMZOPIPTSA-N 1 3 310.526 3.560 20 0 DHADHO CCC(O)(CC)CC[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000471782233 339353786 /nfs/dbraw/zinc/35/37/86/339353786.db2.gz RVNFPAQWCCRTIM-WMZOPIPTSA-N 1 3 310.526 3.560 20 0 DHADHO CCC(O)(CC)CCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000471790604 339354169 /nfs/dbraw/zinc/35/41/69/339354169.db2.gz UCCGTNXGFGPGBC-SJLPKXTDSA-N 1 3 310.526 3.560 20 0 DHADHO CCC(O)(CC)CC[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000471790604 339354170 /nfs/dbraw/zinc/35/41/70/339354170.db2.gz UCCGTNXGFGPGBC-SJLPKXTDSA-N 1 3 310.526 3.560 20 0 DHADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCC(F)(F)F ZINC000471847365 339355963 /nfs/dbraw/zinc/35/59/63/339355963.db2.gz SNSHRJPQCXIULB-JKSUJKDBSA-N 1 3 314.395 3.611 20 0 DHADHO CC[C@@H](c1ccc(F)cc1)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000472273801 339368402 /nfs/dbraw/zinc/36/84/02/339368402.db2.gz IVFPMDIPDWWGEF-MOPGFXCFSA-N 1 3 322.468 3.710 20 0 DHADHO CN1CCC2(CCC[N@@H+]2CCCCCOc2ccccc2)CC1 ZINC000472638147 339375583 /nfs/dbraw/zinc/37/55/83/339375583.db2.gz OEPBPSHUMJFVIF-UHFFFAOYSA-N 1 3 316.489 3.796 20 0 DHADHO CN1CCC2(CCC[N@H+]2CCCCCOc2ccccc2)CC1 ZINC000472638147 339375584 /nfs/dbraw/zinc/37/55/84/339375584.db2.gz OEPBPSHUMJFVIF-UHFFFAOYSA-N 1 3 316.489 3.796 20 0 DHADHO C1CCC(N2CCC([NH2+][C@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)C1 ZINC000474056521 339399607 /nfs/dbraw/zinc/39/96/07/339399607.db2.gz NPHVAVVRBONIEV-DBVUQKKJSA-N 1 3 320.521 3.578 20 0 DHADHO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000474594410 339419190 /nfs/dbraw/zinc/41/91/90/339419190.db2.gz AOMGDTIQGMPTDX-NCXUSEDFSA-N 1 3 310.526 3.680 20 0 DHADHO CC(C)(C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)CN1CCCC1 ZINC000477927523 339504876 /nfs/dbraw/zinc/50/48/76/339504876.db2.gz OIXSIUDQGCLHCJ-UONOGXRCSA-N 1 3 306.416 3.819 20 0 DHADHO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000484505727 339688575 /nfs/dbraw/zinc/68/85/75/339688575.db2.gz VSKITCCOIALGOY-GPMSIDNRSA-N 1 3 304.478 3.856 20 0 DHADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)CC1CCCCC1 ZINC000501090380 340074143 /nfs/dbraw/zinc/07/41/43/340074143.db2.gz RIBVJWORBPGRDJ-UHFFFAOYSA-N 1 3 323.569 3.695 20 0 DHADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)CC1CCCCC1 ZINC000501090380 340074144 /nfs/dbraw/zinc/07/41/44/340074144.db2.gz RIBVJWORBPGRDJ-UHFFFAOYSA-N 1 3 323.569 3.695 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000501375480 340079430 /nfs/dbraw/zinc/07/94/30/340079430.db2.gz BNVCCHQAFBZDJI-QZTJIDSGSA-N 1 3 318.505 3.964 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000501375480 340079431 /nfs/dbraw/zinc/07/94/31/340079431.db2.gz BNVCCHQAFBZDJI-QZTJIDSGSA-N 1 3 318.505 3.964 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000501416395 340080520 /nfs/dbraw/zinc/08/05/20/340080520.db2.gz DOSVSYBATUJXSA-QZTJIDSGSA-N 1 3 318.505 3.964 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000501416395 340080521 /nfs/dbraw/zinc/08/05/21/340080521.db2.gz DOSVSYBATUJXSA-QZTJIDSGSA-N 1 3 318.505 3.964 20 0 DHADHO CCc1cc(OC)ccc1CNCc1cccc(C[NH+](C)C)c1 ZINC000501441495 340081153 /nfs/dbraw/zinc/08/11/53/340081153.db2.gz GXOJNKJJWKEYTN-UHFFFAOYSA-N 1 3 312.457 3.609 20 0 DHADHO CCc1cccnc1[C@H](C)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000507467592 340221074 /nfs/dbraw/zinc/22/10/74/340221074.db2.gz GBBZZXQMRGUXHD-IRXDYDNUSA-N 1 3 303.494 3.949 20 0 DHADHO CCc1cccnc1[C@H](C)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000507467592 340221075 /nfs/dbraw/zinc/22/10/75/340221075.db2.gz GBBZZXQMRGUXHD-IRXDYDNUSA-N 1 3 303.494 3.949 20 0 DHADHO Fc1ccc(C[C@H]2CCCN2CCC[NH+]2CCCCC2)cc1 ZINC000508192640 340240337 /nfs/dbraw/zinc/24/03/37/340240337.db2.gz SHUQAMYSJBZNJC-LJQANCHMSA-N 1 3 304.453 3.709 20 0 DHADHO C[C@@H](CCc1c(F)cccc1F)NC1CC([NH+]2CCCCC2)C1 ZINC000510950802 340316002 /nfs/dbraw/zinc/31/60/02/340316002.db2.gz NCLGRPRGHHJDSP-FHERZECASA-N 1 3 322.443 3.892 20 0 DHADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3(CCO)CCCC3)CC2)C1 ZINC000512964858 340385835 /nfs/dbraw/zinc/38/58/35/340385835.db2.gz WCSNMBWAOLLFBE-PKOBYXMFSA-N 1 3 322.537 3.562 20 0 DHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(CCO)CCCC3)CC2)C1 ZINC000512964858 340385836 /nfs/dbraw/zinc/38/58/36/340385836.db2.gz WCSNMBWAOLLFBE-PKOBYXMFSA-N 1 3 322.537 3.562 20 0 DHADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC3(CCO)CCCC3)CC2)C1 ZINC000512964855 340385879 /nfs/dbraw/zinc/38/58/79/340385879.db2.gz WCSNMBWAOLLFBE-HKUYNNGSSA-N 1 3 322.537 3.562 20 0 DHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(CCO)CCCC3)CC2)C1 ZINC000512964855 340385880 /nfs/dbraw/zinc/38/58/80/340385880.db2.gz WCSNMBWAOLLFBE-HKUYNNGSSA-N 1 3 322.537 3.562 20 0 DHADHO c1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000306173390 340394011 /nfs/dbraw/zinc/39/40/11/340394011.db2.gz GCAXPHAUIZIJED-LEWJYISDSA-N 1 3 306.453 3.641 20 0 DHADHO c1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000306173390 340394012 /nfs/dbraw/zinc/39/40/12/340394012.db2.gz GCAXPHAUIZIJED-LEWJYISDSA-N 1 3 306.453 3.641 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1cccc3ccccc31)C2 ZINC000513144441 340394990 /nfs/dbraw/zinc/39/49/90/340394990.db2.gz LEYCDGFSCSUVTK-DFNIBXOVSA-N 1 3 324.468 3.776 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1cccc3ccccc31)C2 ZINC000513144441 340394991 /nfs/dbraw/zinc/39/49/91/340394991.db2.gz LEYCDGFSCSUVTK-DFNIBXOVSA-N 1 3 324.468 3.776 20 0 DHADHO c1ccc([C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C2CCC2)nc1 ZINC000529645964 340766463 /nfs/dbraw/zinc/76/64/63/340766463.db2.gz XUZQHXQFVSXMQX-FQEVSTJZSA-N 1 3 322.456 3.576 20 0 DHADHO C[C@@H]1C[C@@H](CNC(C)(C)c2nc3ccccc3s2)CC[NH2+]1 ZINC000530242203 340783473 /nfs/dbraw/zinc/78/34/73/340783473.db2.gz LSCSGABIYFESPT-OLZOCXBDSA-N 1 3 303.475 3.509 20 0 DHADHO Clc1ccc2c(c1)CC[C@H]2N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000530244685 340783534 /nfs/dbraw/zinc/78/35/34/340783534.db2.gz MRJUMWZWVOFBFK-BSDSXHPESA-N 1 3 304.865 3.838 20 0 DHADHO FC(F)(F)C1CCC(C[NH2+]CCCN2CCCCC2)CC1 ZINC000124303938 340798196 /nfs/dbraw/zinc/79/81/96/340798196.db2.gz DIIVBTSWXSLCFW-UHFFFAOYSA-N 1 3 306.416 3.821 20 0 DHADHO C[C@H]([NH2+]CCC1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000539067261 340870070 /nfs/dbraw/zinc/87/00/70/340870070.db2.gz DVNLNGHOYCYBDM-INIZCTEOSA-N 1 3 304.478 3.858 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CCCCS3)CC2)C1 ZINC000542485316 341009693 /nfs/dbraw/zinc/00/96/93/341009693.db2.gz CHRBTZBCAOERCZ-KBAYOESNSA-N 1 3 310.551 3.905 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CCCCS3)CC2)C1 ZINC000542485316 341009694 /nfs/dbraw/zinc/00/96/94/341009694.db2.gz CHRBTZBCAOERCZ-KBAYOESNSA-N 1 3 310.551 3.905 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000543446147 341045141 /nfs/dbraw/zinc/04/51/41/341045141.db2.gz CNPCMDBASPWAFJ-AZUAARDMSA-N 1 3 302.506 3.823 20 0 DHADHO CCN1CC[C@H]([NH2+]Cc2ccccc2OCC(C)C)[C@H](C)C1 ZINC000130806414 341046106 /nfs/dbraw/zinc/04/61/06/341046106.db2.gz VZYQRJYXYBCVIG-AEFFLSMTSA-N 1 3 304.478 3.541 20 0 DHADHO Cc1ccc2nccc(N3CC[C@H](C4CC[NH+](C)CC4)C3)c2c1 ZINC000546181466 341156435 /nfs/dbraw/zinc/15/64/35/341156435.db2.gz RLEJYWKUCBFOGB-KRWDZBQOSA-N 1 3 309.457 3.711 20 0 DHADHO CCc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc2n1 ZINC000549524702 341296315 /nfs/dbraw/zinc/29/63/15/341296315.db2.gz XMSJNXJYMRZRDM-MRXNPFEDSA-N 1 3 309.457 3.719 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCCC23CCCC3)cc1 ZINC000550622210 341319751 /nfs/dbraw/zinc/31/97/51/341319751.db2.gz JISGEKLFWCPWEA-LJQANCHMSA-N 1 3 316.489 3.830 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCC23CCCC3)C[C@H](C)O1 ZINC000551014702 341329196 /nfs/dbraw/zinc/32/91/96/341329196.db2.gz XGGSYJBJHDAWGM-KSZLIROESA-N 1 3 308.510 3.578 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](c2ccccc2OC)C2CCCC2)C1 ZINC000246153336 341329924 /nfs/dbraw/zinc/32/99/24/341329924.db2.gz TUDPTCQHFUINLN-UZLBHIALSA-N 1 3 316.489 3.858 20 0 DHADHO COc1ccc([C@@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)C2CC2)cc1 ZINC000246169916 341331194 /nfs/dbraw/zinc/33/11/94/341331194.db2.gz VFQUQQIYLCKUHH-JXFKEZNVSA-N 1 3 316.489 3.856 20 0 DHADHO COc1ccc([C@@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)C2CC2)cc1 ZINC000246169916 341331195 /nfs/dbraw/zinc/33/11/95/341331195.db2.gz VFQUQQIYLCKUHH-JXFKEZNVSA-N 1 3 316.489 3.856 20 0 DHADHO COc1ccc([C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C2CC2)cc1 ZINC000246169916 341331196 /nfs/dbraw/zinc/33/11/96/341331196.db2.gz VFQUQQIYLCKUHH-JXFKEZNVSA-N 1 3 316.489 3.856 20 0 DHADHO CCC[NH+]1CCC(NCCc2cc3ccccc3s2)CC1 ZINC000551264750 341335956 /nfs/dbraw/zinc/33/59/56/341335956.db2.gz NAUGENZQFVBZCT-UHFFFAOYSA-N 1 3 302.487 3.908 20 0 DHADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000551540174 341344751 /nfs/dbraw/zinc/34/47/51/341344751.db2.gz BPSDDNQJTVPACV-XNFNUYLZSA-N 1 3 316.489 3.509 20 0 DHADHO CCOc1ccc(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)cc1Cl ZINC000551573221 341346059 /nfs/dbraw/zinc/34/60/59/341346059.db2.gz NVHOXMHYWAKKRB-CZUORRHYSA-N 1 3 310.869 3.559 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000246902787 341358397 /nfs/dbraw/zinc/35/83/97/341358397.db2.gz FHHIFRFWSMETFC-MXSMSXNCSA-N 1 3 304.478 3.650 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(C)cc2)[C@H](C)C1 ZINC000247137158 341361395 /nfs/dbraw/zinc/36/13/95/341361395.db2.gz SBGAVTGPESJVOC-GGPKGHCWSA-N 1 3 318.505 3.783 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(C)cc2)[C@H](C)C1 ZINC000247137158 341361396 /nfs/dbraw/zinc/36/13/96/341361396.db2.gz SBGAVTGPESJVOC-GGPKGHCWSA-N 1 3 318.505 3.783 20 0 DHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)[C@H](C)c1ccccc1 ZINC000247162688 341361660 /nfs/dbraw/zinc/36/16/60/341361660.db2.gz XYUJTMLIMOCCFX-ZSYWTGECSA-N 1 3 318.505 3.658 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(C)s2)[C@H](C)C1 ZINC000247199324 341362214 /nfs/dbraw/zinc/36/22/14/341362214.db2.gz WFWGHXJQPHIAEA-OIISXLGYSA-N 1 3 324.534 3.844 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(C)s2)[C@H](C)C1 ZINC000247199324 341362215 /nfs/dbraw/zinc/36/22/15/341362215.db2.gz WFWGHXJQPHIAEA-OIISXLGYSA-N 1 3 324.534 3.844 20 0 DHADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1cccnc1 ZINC000248405911 341376803 /nfs/dbraw/zinc/37/68/03/341376803.db2.gz BIYTWZJCKHZIET-NASSWSRMSA-N 1 3 321.468 3.643 20 0 DHADHO C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1cccc(Cl)c1 ZINC000249465954 341398034 /nfs/dbraw/zinc/39/80/34/341398034.db2.gz GQFLJFAEAUQQBY-UWWQBHOKSA-N 1 3 306.881 3.860 20 0 DHADHO C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1cccc(Cl)c1 ZINC000249465954 341398035 /nfs/dbraw/zinc/39/80/35/341398035.db2.gz GQFLJFAEAUQQBY-UWWQBHOKSA-N 1 3 306.881 3.860 20 0 DHADHO COc1cc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)ccc1F ZINC000154446839 341589294 /nfs/dbraw/zinc/58/92/94/341589294.db2.gz DQUOLJGQCSPPGI-CQSZACIVSA-N 1 3 316.420 3.747 20 0 DHADHO C[C@H]([NH2+]CCc1cccs1)c1ccc(OCCN(C)C)cc1 ZINC000155569260 341609478 /nfs/dbraw/zinc/60/94/78/341609478.db2.gz AYRHXZQFKUWJNJ-HNNXBMFYSA-N 1 3 318.486 3.582 20 0 DHADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1sccc1Br ZINC000567655269 341624742 /nfs/dbraw/zinc/62/47/42/341624742.db2.gz VGSZPTOCDMMDOI-QWRGUYRKSA-N 1 3 317.296 3.693 20 0 DHADHO COc1cc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1OCC(C)C ZINC000567752730 341631764 /nfs/dbraw/zinc/63/17/64/341631764.db2.gz VYJAMCKTVFWYRK-BHYGNILZSA-N 1 3 320.477 3.651 20 0 DHADHO C[C@H]([NH2+]C1CCC(c2ccc(F)cc2)CC1)[C@@H]1CCCNC1 ZINC000568733453 341679973 /nfs/dbraw/zinc/67/99/73/341679973.db2.gz QAKJJJFOHAUXPV-WAZRQNRBSA-N 1 3 304.453 3.830 20 0 DHADHO CC(C)(C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)CN1CCCC1 ZINC000337277416 519268524 /nfs/dbraw/zinc/26/85/24/519268524.db2.gz FRMJSVUZZGJCHK-PKOBYXMFSA-N 1 3 315.505 3.819 20 0 DHADHO CC(C)CC[NH+]1CCC(CN[C@@H](C)c2cncc(F)c2)CC1 ZINC000163593479 519653707 /nfs/dbraw/zinc/65/37/07/519653707.db2.gz BOAFQABGMCMQEQ-HNNXBMFYSA-N 1 3 307.457 3.629 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337336591 519677891 /nfs/dbraw/zinc/67/78/91/519677891.db2.gz MGANYWAZRPXZBN-HBFSDRIKSA-N 1 3 315.505 3.818 20 0 DHADHO CC(C)Oc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368952081 519779200 /nfs/dbraw/zinc/77/92/00/519779200.db2.gz TVRHXJQVBFMJNU-UHFFFAOYSA-N 1 3 302.462 3.534 20 0 DHADHO CC(C)Oc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368952081 519779201 /nfs/dbraw/zinc/77/92/01/519779201.db2.gz TVRHXJQVBFMJNU-UHFFFAOYSA-N 1 3 302.462 3.534 20 0 DHADHO CC(C)Oc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000368952081 519779202 /nfs/dbraw/zinc/77/92/02/519779202.db2.gz TVRHXJQVBFMJNU-UHFFFAOYSA-N 1 3 302.462 3.534 20 0 DHADHO CN(C/C=C\C[N@H+](C)Cc1cccs1)Cc1cccs1 ZINC000338374847 522406366 /nfs/dbraw/zinc/40/63/66/522406366.db2.gz MUEHHUVQXGTVQG-ARJAWSKDSA-N 1 3 306.500 3.930 20 0 DHADHO CN(C/C=C\C[N@@H+](C)Cc1cccs1)Cc1cccs1 ZINC000338374847 522406375 /nfs/dbraw/zinc/40/63/75/522406375.db2.gz MUEHHUVQXGTVQG-ARJAWSKDSA-N 1 3 306.500 3.930 20 0 DHADHO COC[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000157677171 522754393 /nfs/dbraw/zinc/75/43/93/522754393.db2.gz QSOJQIQZQIHYPN-UZLBHIALSA-N 1 3 316.489 3.576 20 0 DHADHO COC[C@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000157677171 522754401 /nfs/dbraw/zinc/75/44/01/522754401.db2.gz QSOJQIQZQIHYPN-UZLBHIALSA-N 1 3 316.489 3.576 20 0 DHADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCC(F)(F)F)CC1 ZINC000265855337 523343029 /nfs/dbraw/zinc/34/30/29/523343029.db2.gz QWEGMRFACZCSJM-UHFFFAOYSA-N 1 3 314.395 3.783 20 0 DHADHO C[N@H+](Cc1ccccc1)CC1CCN(CCC(F)(F)F)CC1 ZINC000265855337 523343046 /nfs/dbraw/zinc/34/30/46/523343046.db2.gz QWEGMRFACZCSJM-UHFFFAOYSA-N 1 3 314.395 3.783 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC000364897128 523351460 /nfs/dbraw/zinc/35/14/60/523351460.db2.gz RVMJQVZHTJLHSO-VQTJNVASSA-N 1 3 316.489 3.542 20 0 DHADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](CC[C@H]2CCCO2)CC1 ZINC000364897128 523351465 /nfs/dbraw/zinc/35/14/65/523351465.db2.gz RVMJQVZHTJLHSO-VQTJNVASSA-N 1 3 316.489 3.542 20 0 DHADHO C[N@H+](Cc1ccccc1)[C@H]1CCCN(CC[C@H]2CCCO2)CC1 ZINC000364897128 523351474 /nfs/dbraw/zinc/35/14/74/523351474.db2.gz RVMJQVZHTJLHSO-VQTJNVASSA-N 1 3 316.489 3.542 20 0 DHADHO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(CC[C@H]2CCCO2)CC1 ZINC000364897128 523351486 /nfs/dbraw/zinc/35/14/86/523351486.db2.gz RVMJQVZHTJLHSO-VQTJNVASSA-N 1 3 316.489 3.542 20 0 DHADHO CN(Cc1ccccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364992861 523369324 /nfs/dbraw/zinc/36/93/24/523369324.db2.gz FQNGHFUAGHTGAW-UHFFFAOYSA-N 1 3 313.420 3.569 20 0 DHADHO C[C@H]1CCc2nc(CNCCCCC[NH+]3CCCC3)sc2C1 ZINC000339500145 524441023 /nfs/dbraw/zinc/44/10/23/524441023.db2.gz XQAUPSDXZDXPQJ-HNNXBMFYSA-N 1 3 321.534 3.624 20 0 DHADHO C[C@H](F)CCN1CCCC2(CCC[N@H+](CC[C@H](C)F)C2)C1 ZINC000368240402 524806719 /nfs/dbraw/zinc/80/67/19/524806719.db2.gz JCVPCXXZFDMNCT-PYNWJHIZSA-N 1 3 302.453 3.661 20 0 DHADHO C[C@H](F)CCN1CCCC2(CCC[N@@H+](CC[C@H](C)F)C2)C1 ZINC000368240402 524806734 /nfs/dbraw/zinc/80/67/34/524806734.db2.gz JCVPCXXZFDMNCT-PYNWJHIZSA-N 1 3 302.453 3.661 20 0 DHADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000124186402 524914591 /nfs/dbraw/zinc/91/45/91/524914591.db2.gz IYQMUDGABDPQKQ-MUIFIZLQSA-N 1 3 302.462 3.607 20 0 DHADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3cc(Br)ccc32)CC[N@@H+]1C ZINC000156156593 525274547 /nfs/dbraw/zinc/27/45/47/525274547.db2.gz UBGDZCJEMMWINT-DIOULYMOSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3cc(Br)ccc32)CC[N@H+]1C ZINC000156156593 525274552 /nfs/dbraw/zinc/27/45/52/525274552.db2.gz UBGDZCJEMMWINT-DIOULYMOSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccncc1 ZINC000173839464 525521219 /nfs/dbraw/zinc/52/12/19/525521219.db2.gz VARVSIRFWIPIPJ-QGZVFWFLSA-N 1 3 309.457 3.918 20 0 DHADHO C[C@@H](NCc1cccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000156500614 525542827 /nfs/dbraw/zinc/54/28/27/525542827.db2.gz JHTHLIOCLZIWEB-CQSZACIVSA-N 1 3 304.459 3.539 20 0 DHADHO C[C@@H](NCc1cccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156485609 525543039 /nfs/dbraw/zinc/54/30/39/525543039.db2.gz BUQOAUYWDDPQKM-CQSZACIVSA-N 1 3 304.459 3.539 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000285673252 536466933 /nfs/dbraw/zinc/46/69/33/536466933.db2.gz ZXGJGDYWVRCDOW-XYPWUTKMSA-N 1 3 312.379 3.762 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000285673252 536466937 /nfs/dbraw/zinc/46/69/37/536466937.db2.gz ZXGJGDYWVRCDOW-XYPWUTKMSA-N 1 3 312.379 3.762 20 0 DHADHO c1ccc(CC2(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167963623 1013186627 /nfs/dbraw/zinc/18/66/27/1013186627.db2.gz ADRVWIWTPVOPEV-IHWFROFDSA-N 1 3 310.485 3.757 20 0 DHADHO c1ccc(CC2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167963623 1013186636 /nfs/dbraw/zinc/18/66/36/1013186636.db2.gz ADRVWIWTPVOPEV-IHWFROFDSA-N 1 3 310.485 3.757 20 0 DHADHO c1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)cc1 ZINC001167963623 1013186642 /nfs/dbraw/zinc/18/66/42/1013186642.db2.gz ADRVWIWTPVOPEV-IHWFROFDSA-N 1 3 310.485 3.757 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000037644569 1013201222 /nfs/dbraw/zinc/20/12/22/1013201222.db2.gz WEGJPOKDVHOVIV-IUODEOHRSA-N 1 3 310.894 3.808 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649360 1013206780 /nfs/dbraw/zinc/20/67/80/1013206780.db2.gz KUQGXZZMFQPLSD-STQMWFEESA-N 1 3 323.278 3.584 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649360 1013206793 /nfs/dbraw/zinc/20/67/93/1013206793.db2.gz KUQGXZZMFQPLSD-STQMWFEESA-N 1 3 323.278 3.584 20 0 DHADHO Fc1ccc([C@H]2C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167969476 1013373132 /nfs/dbraw/zinc/37/31/32/1013373132.db2.gz CMAQOQJCVZHFTN-NOSIKRSBSA-N 1 3 314.448 3.677 20 0 DHADHO Fc1ccc([C@H]2C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167969476 1013373139 /nfs/dbraw/zinc/37/31/39/1013373139.db2.gz CMAQOQJCVZHFTN-NOSIKRSBSA-N 1 3 314.448 3.677 20 0 DHADHO c1ccc([C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167983928 1013495094 /nfs/dbraw/zinc/49/50/94/1013495094.db2.gz LLIBRLDGQMUVBA-CBQMWWCCSA-N 1 3 310.485 3.881 20 0 DHADHO c1ccc([C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167983928 1013495096 /nfs/dbraw/zinc/49/50/96/1013495096.db2.gz LLIBRLDGQMUVBA-CBQMWWCCSA-N 1 3 310.485 3.881 20 0 DHADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000340369295 1013523333 /nfs/dbraw/zinc/52/33/33/1013523333.db2.gz GRULIZJTFOSFLP-SJORKVTESA-N 1 3 316.489 3.716 20 0 DHADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000340369295 1013523337 /nfs/dbraw/zinc/52/33/37/1013523337.db2.gz GRULIZJTFOSFLP-SJORKVTESA-N 1 3 316.489 3.716 20 0 DHADHO C[C@@H]1SCC[N@H+](CC[C@@H]2CCCN2C)[C@@H]1c1ccccc1 ZINC000340372236 1013526072 /nfs/dbraw/zinc/52/60/72/1013526072.db2.gz WLRUNVNIGNSZDS-SZMVWBNQSA-N 1 3 304.503 3.649 20 0 DHADHO C[C@@H]1SCC[N@@H+](CC[C@@H]2CCCN2C)[C@@H]1c1ccccc1 ZINC000340372236 1013526075 /nfs/dbraw/zinc/52/60/75/1013526075.db2.gz WLRUNVNIGNSZDS-SZMVWBNQSA-N 1 3 304.503 3.649 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281223 1013696112 /nfs/dbraw/zinc/69/61/12/1013696112.db2.gz PLEICSJVMVTXDF-BEFAXECRSA-N 1 3 311.473 3.785 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281223 1013696114 /nfs/dbraw/zinc/69/61/14/1013696114.db2.gz PLEICSJVMVTXDF-BEFAXECRSA-N 1 3 311.473 3.785 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3c4cc(C)ccc4[nH]c32)C1 ZINC000520281223 1013696118 /nfs/dbraw/zinc/69/61/18/1013696118.db2.gz PLEICSJVMVTXDF-BEFAXECRSA-N 1 3 311.473 3.785 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000280798666 1013726480 /nfs/dbraw/zinc/72/64/80/1013726480.db2.gz IGLVXHLRDLDEEK-VQIMIIECSA-N 1 3 301.478 3.633 20 0 DHADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000122855003 1013751501 /nfs/dbraw/zinc/75/15/01/1013751501.db2.gz XBCJCANAWQAKMP-GFCCVEGCSA-N 1 3 312.379 3.983 20 0 DHADHO C[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312628485 1013938706 /nfs/dbraw/zinc/93/87/06/1013938706.db2.gz BRMGSWZVPPVFNP-RWMBFGLXSA-N 1 3 313.272 3.986 20 0 DHADHO CCC(C)(C)CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000441475557 1014207976 /nfs/dbraw/zinc/20/79/76/1014207976.db2.gz QLGBJGNUWKPJQT-CALCHBBNSA-N 1 3 310.526 3.634 20 0 DHADHO C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)[C@H]1CCCN(C2CCC2)C1 ZINC000926120395 1014329024 /nfs/dbraw/zinc/32/90/24/1014329024.db2.gz ZIVVYAIKMMAMDD-ZRDSACAASA-N 1 3 320.521 3.577 20 0 DHADHO C[C@H](N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc2n[nH]cc2c1 ZINC000581125280 1014573540 /nfs/dbraw/zinc/57/35/40/1014573540.db2.gz HGGJDNWAQKAGOI-ADLFWFRXSA-N 1 3 320.440 3.707 20 0 DHADHO c1ccc2c(c1)CC[C@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665261451 1014598488 /nfs/dbraw/zinc/59/84/88/1014598488.db2.gz CSHLVFXQBCSDFQ-DYXWJJEUSA-N 1 3 320.436 3.519 20 0 DHADHO CC(C)[C@H](CNC1CC(c2cc(F)cc(F)c2)C1)[NH+]1CCCC1 ZINC000520890913 1014609116 /nfs/dbraw/zinc/60/91/16/1014609116.db2.gz FEWHUCJKQNROQS-PPSBMQLTSA-N 1 3 322.443 3.921 20 0 DHADHO N[C@H]1C[C@@H]([NH2+]CCc2nsc3ccccc32)c2ccccc21 ZINC000665276162 1014640816 /nfs/dbraw/zinc/64/08/16/1014640816.db2.gz ZLDYOFFPEDRVQQ-DOTOQJQBSA-N 1 3 309.438 3.573 20 0 DHADHO CO[C@H]1CCCC[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000442807412 1014732765 /nfs/dbraw/zinc/73/27/65/1014732765.db2.gz DWZHABNFNLEAPG-WNHJNPCNSA-N 1 3 308.510 3.577 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000665301131 1014777575 /nfs/dbraw/zinc/77/75/75/1014777575.db2.gz OYPUBOXNQSFLCK-YCRPNKLZSA-N 1 3 323.484 3.867 20 0 DHADHO CC(C)c1ccc([C@H](NC[C@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000522038175 1014869422 /nfs/dbraw/zinc/86/94/22/1014869422.db2.gz WDLSGPDQISMIHA-VQTJNVASSA-N 1 3 318.505 3.552 20 0 DHADHO CC(C)c1ccc([C@H](NC[C@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000522038175 1014869435 /nfs/dbraw/zinc/86/94/35/1014869435.db2.gz WDLSGPDQISMIHA-VQTJNVASSA-N 1 3 318.505 3.552 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474079916 1014963896 /nfs/dbraw/zinc/96/38/96/1014963896.db2.gz JMDWGCRMMHOOQS-BEFAXECRSA-N 1 3 316.489 3.739 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474079916 1014963906 /nfs/dbraw/zinc/96/39/06/1014963906.db2.gz JMDWGCRMMHOOQS-BEFAXECRSA-N 1 3 316.489 3.739 20 0 DHADHO COc1ccc2cc(C[N@@H+]3CCC[C@H]4CN(C)CC[C@@H]43)ccc2c1 ZINC000581575549 1015007219 /nfs/dbraw/zinc/00/72/19/1015007219.db2.gz VJEUKIGCHYZTCQ-FPOVZHCZSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc2cc(C[N@H+]3CCC[C@H]4CN(C)CC[C@@H]43)ccc2c1 ZINC000581575549 1015007224 /nfs/dbraw/zinc/00/72/24/1015007224.db2.gz VJEUKIGCHYZTCQ-FPOVZHCZSA-N 1 3 324.468 3.765 20 0 DHADHO Clc1ccc([C@H]2C[C@H]2CN2CCC([NH+]3CCC3)CC2)cc1 ZINC001207196444 1015043059 /nfs/dbraw/zinc/04/30/59/1015043059.db2.gz LSACQULSMYMMQP-MAUKXSAKSA-N 1 3 304.865 3.614 20 0 DHADHO CC(C)CC[NH+]1CCC(N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)CC1 ZINC000895458865 1015163995 /nfs/dbraw/zinc/16/39/95/1015163995.db2.gz IKJGCRVCKBZZBK-XUVXKRRUSA-N 1 3 316.464 3.564 20 0 DHADHO CC(C)[C@H]1CCC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000474594411 1015475409 /nfs/dbraw/zinc/47/54/09/1015475409.db2.gz AOMGDTIQGMPTDX-ZSYWTGECSA-N 1 3 310.526 3.680 20 0 DHADHO CCOc1ccc(CNC2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000896388491 1015567973 /nfs/dbraw/zinc/56/79/73/1015567973.db2.gz XDDKHRIXYHOTLC-UHFFFAOYSA-N 1 3 306.450 3.565 20 0 DHADHO CO[C@H](CC(C)C)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167505784 1016174767 /nfs/dbraw/zinc/17/47/67/1016174767.db2.gz VQIKOSUIMYKRDN-VQTJNVASSA-N 1 3 318.505 3.501 20 0 DHADHO CO[C@H](CC(C)C)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167505784 1016174774 /nfs/dbraw/zinc/17/47/74/1016174774.db2.gz VQIKOSUIMYKRDN-VQTJNVASSA-N 1 3 318.505 3.501 20 0 DHADHO Cc1cccc2[nH]c(CNCc3cccc(C[NH+](C)C)c3)cc21 ZINC000657300151 1016239569 /nfs/dbraw/zinc/23/95/69/1016239569.db2.gz JPKXOGMTKMYVRU-UHFFFAOYSA-N 1 3 307.441 3.828 20 0 DHADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346666515 1016501929 /nfs/dbraw/zinc/50/19/29/1016501929.db2.gz YKFYBSVQBFXDDZ-TZMCWYRMSA-N 1 3 304.434 3.723 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1OC ZINC000152397952 1016589051 /nfs/dbraw/zinc/58/90/51/1016589051.db2.gz BYQIEFOHXUWCAU-DYVFJYSZSA-N 1 3 322.880 3.874 20 0 DHADHO CSC1(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000336720535 1016704419 /nfs/dbraw/zinc/70/44/19/1016704419.db2.gz UFUCBCQEYNWALN-GOSISDBHSA-N 1 3 318.530 3.774 20 0 DHADHO CCN1CC[C@H]([N@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)C[C@H]1C ZINC001167586732 1016984450 /nfs/dbraw/zinc/98/44/50/1016984450.db2.gz PJRGNUYRQDPGPF-UBDQQSCGSA-N 1 3 322.443 3.840 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)C[C@H]1C ZINC001167586732 1016984461 /nfs/dbraw/zinc/98/44/61/1016984461.db2.gz PJRGNUYRQDPGPF-UBDQQSCGSA-N 1 3 322.443 3.840 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1(C)C ZINC000623471800 1017062160 /nfs/dbraw/zinc/06/21/60/1017062160.db2.gz UDHGFRPYJXFCCD-NEWSRXKRSA-N 1 3 316.489 3.617 20 0 DHADHO C[N@H+]1CC[C@H](N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1(C)C ZINC000623471800 1017062165 /nfs/dbraw/zinc/06/21/65/1017062165.db2.gz UDHGFRPYJXFCCD-NEWSRXKRSA-N 1 3 316.489 3.617 20 0 DHADHO Clc1ccccc1[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000294999551 1032239765 /nfs/dbraw/zinc/23/97/65/1032239765.db2.gz LXQBBCMQFDVRLK-FPCVCCKLSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccccc1[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000294999551 1032239777 /nfs/dbraw/zinc/23/97/77/1032239777.db2.gz LXQBBCMQFDVRLK-FPCVCCKLSA-N 1 3 304.865 3.802 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1(C)C ZINC000623471801 1032248192 /nfs/dbraw/zinc/24/81/92/1032248192.db2.gz UDHGFRPYJXFCCD-NZSAHSFTSA-N 1 3 316.489 3.617 20 0 DHADHO C[N@H+]1CC[C@H](N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1(C)C ZINC000623471801 1032248207 /nfs/dbraw/zinc/24/82/07/1032248207.db2.gz UDHGFRPYJXFCCD-NZSAHSFTSA-N 1 3 316.489 3.617 20 0 DHADHO C[C@H](CCCC[NH3+])NCc1c(Cl)cccc1OC(F)F ZINC000666937631 1032443016 /nfs/dbraw/zinc/44/30/16/1032443016.db2.gz JLAGHBRPEKXKTL-SNVBAGLBSA-N 1 3 306.784 3.549 20 0 DHADHO Cc1cccc2c1CC[C@H]2NCc1ccccc1OCC[NH+](C)C ZINC000122290325 1032524152 /nfs/dbraw/zinc/52/41/52/1032524152.db2.gz MNWLRGSXCOUXDD-HXUWFJFHSA-N 1 3 324.468 3.713 20 0 DHADHO C[C@H]1C[C@H](N(C)Cc2cccc(-c3ccncc3)c2)CC[N@@H+]1C ZINC000093644472 1032550725 /nfs/dbraw/zinc/55/07/25/1032550725.db2.gz CVSKPHIHFQPKLU-OXJNMPFZSA-N 1 3 309.457 3.663 20 0 DHADHO C[C@H]1C[C@H](N(C)Cc2cccc(-c3ccncc3)c2)CC[N@H+]1C ZINC000093644472 1032550727 /nfs/dbraw/zinc/55/07/27/1032550727.db2.gz CVSKPHIHFQPKLU-OXJNMPFZSA-N 1 3 309.457 3.663 20 0 DHADHO CO[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000773081531 1032553825 /nfs/dbraw/zinc/55/38/25/1032553825.db2.gz CXSZTTHXWPSVQZ-OALUTQOASA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H](CCc1cccn1C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000122597417 1032564331 /nfs/dbraw/zinc/56/43/31/1032564331.db2.gz PNHXKKDRHIRJES-KRWDZBQOSA-N 1 3 317.521 3.733 20 0 DHADHO CC(C)COc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000122842051 1032572895 /nfs/dbraw/zinc/57/28/95/1032572895.db2.gz BBPNPDGKYLVWRQ-MRXNPFEDSA-N 1 3 316.489 3.999 20 0 DHADHO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000425376722 1012511881 /nfs/dbraw/zinc/51/18/81/1012511881.db2.gz FQBPDMWOGJARNA-IPMKNSEASA-N 1 3 318.530 3.772 20 0 DHADHO FCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000516883294 1012855920 /nfs/dbraw/zinc/85/59/20/1012855920.db2.gz UZFUFKQWDMKEBL-IPMKNSEASA-N 1 3 304.453 3.626 20 0 DHADHO COc1ccccc1[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1CCCC1 ZINC000425921457 1012954520 /nfs/dbraw/zinc/95/45/20/1012954520.db2.gz LPXWCAUYYLOQTE-BEFAXECRSA-N 1 3 304.478 3.714 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)CN(C)C ZINC000425942720 1012989442 /nfs/dbraw/zinc/98/94/42/1012989442.db2.gz GLUIXFWFRDFTHP-BMIGLBTASA-N 1 3 301.261 3.768 20 0 DHADHO CN1CCCC[C@H](C[NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000623656885 1017154359 /nfs/dbraw/zinc/15/43/59/1017154359.db2.gz DOYFDWMQMCQSLZ-GOSISDBHSA-N 1 3 309.457 3.570 20 0 DHADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1ccc(F)c2cccnc12 ZINC000075861170 1017345200 /nfs/dbraw/zinc/34/52/00/1017345200.db2.gz XPAKHKAULASLFP-INIZCTEOSA-N 1 3 315.436 3.680 20 0 DHADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1ccc(F)c2cccnc12 ZINC000075861170 1017345234 /nfs/dbraw/zinc/34/52/34/1017345234.db2.gz XPAKHKAULASLFP-INIZCTEOSA-N 1 3 315.436 3.680 20 0 DHADHO C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)CC(F)F ZINC000716727109 1032706779 /nfs/dbraw/zinc/70/67/79/1032706779.db2.gz IDLCXPVKRNFXTC-SPUZQDLCSA-N 1 3 322.443 3.920 20 0 DHADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613561 1017583388 /nfs/dbraw/zinc/58/33/88/1017583388.db2.gz NNAMVXHQEAVGQF-LPHOPBHVSA-N 1 3 315.505 3.708 20 0 DHADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@@]3(C)CCCS3)C2)CC1 ZINC000628156698 1017601845 /nfs/dbraw/zinc/60/18/45/1017601845.db2.gz ZHFCZRIFZNSANH-ZWKOTPCHSA-N 1 3 310.551 3.716 20 0 DHADHO CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1F ZINC000624120567 1017691267 /nfs/dbraw/zinc/69/12/67/1017691267.db2.gz BRWCCZRTOPAQDW-KGLIPLIRSA-N 1 3 310.482 3.930 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cnc2ccsc2c1 ZINC000624120544 1017693644 /nfs/dbraw/zinc/69/36/44/1017693644.db2.gz BLAGFXMGZIXHAM-ZIAGYGMSSA-N 1 3 303.475 3.679 20 0 DHADHO COCCC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(F)cc1 ZINC000624123592 1017696184 /nfs/dbraw/zinc/69/61/84/1017696184.db2.gz ORXJYKVEHDSGFQ-QFBILLFUSA-N 1 3 322.468 3.615 20 0 DHADHO C/C(=C\c1ccccc1)C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000237667107 1017712536 /nfs/dbraw/zinc/71/25/36/1017712536.db2.gz UORHHANKWSGQFX-SJODPALPSA-N 1 3 316.489 3.569 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C12CCC2 ZINC000181626325 1017778568 /nfs/dbraw/zinc/77/85/68/1017778568.db2.gz XRUYRWJBPGIVPL-RBUKOAKNSA-N 1 3 320.521 3.578 20 0 DHADHO CCO[C@@H]1C[C@H](NC2CC[NH+](CC3CCCC3)CC2)C12CCC2 ZINC000181626325 1017778583 /nfs/dbraw/zinc/77/85/83/1017778583.db2.gz XRUYRWJBPGIVPL-RBUKOAKNSA-N 1 3 320.521 3.578 20 0 DHADHO CC[C@H](CSc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090778427 1017817054 /nfs/dbraw/zinc/81/70/54/1017817054.db2.gz PZPFEPQQVZHDIR-IXDOHACOSA-N 1 3 304.503 3.774 20 0 DHADHO CC[C@H](CSc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090778427 1017817059 /nfs/dbraw/zinc/81/70/59/1017817059.db2.gz PZPFEPQQVZHDIR-IXDOHACOSA-N 1 3 304.503 3.774 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000183353436 1018015664 /nfs/dbraw/zinc/01/56/64/1018015664.db2.gz ATIHNRGBWSUNHF-FUHWJXTLSA-N 1 3 304.453 3.565 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000183353436 1018015679 /nfs/dbraw/zinc/01/56/79/1018015679.db2.gz ATIHNRGBWSUNHF-FUHWJXTLSA-N 1 3 304.453 3.565 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000183353436 1018015691 /nfs/dbraw/zinc/01/56/91/1018015691.db2.gz ATIHNRGBWSUNHF-FUHWJXTLSA-N 1 3 304.453 3.565 20 0 DHADHO CCC[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000184932927 1018098158 /nfs/dbraw/zinc/09/81/58/1018098158.db2.gz QJQVEJFJGJXIOP-OAQYLSRUSA-N 1 3 323.484 3.961 20 0 DHADHO CCC[C@@H](NCCC[N@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000184932927 1018098168 /nfs/dbraw/zinc/09/81/68/1018098168.db2.gz QJQVEJFJGJXIOP-OAQYLSRUSA-N 1 3 323.484 3.961 20 0 DHADHO CC[N@@H+](Cc1ccc(C)cn1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000154180983 1018129380 /nfs/dbraw/zinc/12/93/80/1018129380.db2.gz OOFMSPAZOKHUER-FQEVSTJZSA-N 1 3 323.484 3.734 20 0 DHADHO CC[N@H+](Cc1ccc(C)cn1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000154180983 1018129383 /nfs/dbraw/zinc/12/93/83/1018129383.db2.gz OOFMSPAZOKHUER-FQEVSTJZSA-N 1 3 323.484 3.734 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](COCc2ccccc2)C(C)C)C1 ZINC000446741915 1018230266 /nfs/dbraw/zinc/23/02/66/1018230266.db2.gz CRMYFERMXXKPRY-VQTJNVASSA-N 1 3 318.505 3.549 20 0 DHADHO C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2)c1)CN(C)C ZINC000394441228 1018275870 /nfs/dbraw/zinc/27/58/70/1018275870.db2.gz NCWNOYXHYFJTLW-QGZVFWFLSA-N 1 3 312.457 3.553 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@]3(C)CC3(F)F)CC2)C1 ZINC000658217118 1018284459 /nfs/dbraw/zinc/28/44/59/1018284459.db2.gz DQTPZOXKDIRJIK-FVQBIDKESA-N 1 3 300.437 3.664 20 0 DHADHO C[C@@H](NCc1nc2cc(Cl)ccc2s1)C1CC[NH+](C)CC1 ZINC000675771650 1018583946 /nfs/dbraw/zinc/58/39/46/1018583946.db2.gz ZHXREVJFDOVPHY-LLVKDONJSA-N 1 3 323.893 3.770 20 0 DHADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCc1cccc(Cl)c1)C2 ZINC001279632941 1018640948 /nfs/dbraw/zinc/64/09/48/1018640948.db2.gz VJCUEFORZPIOMH-SFHVURJKSA-N 1 3 306.881 3.690 20 0 DHADHO C[N@H+]1CC[C@]2(C1)CCCN(CCCc1cccc(Cl)c1)C2 ZINC001279632941 1018640952 /nfs/dbraw/zinc/64/09/52/1018640952.db2.gz VJCUEFORZPIOMH-SFHVURJKSA-N 1 3 306.881 3.690 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(SC)cc1 ZINC000650758253 1018694141 /nfs/dbraw/zinc/69/41/41/1018694141.db2.gz LULSCFJCYABRDD-CQSZACIVSA-N 1 3 300.471 3.979 20 0 DHADHO Cc1cccc2c1CC[C@H]([NH+]1CCC(N3CCCCC3)CC1)C2 ZINC001171563056 1032783933 /nfs/dbraw/zinc/78/39/33/1032783933.db2.gz CSSXGCDXXGBEEE-FQEVSTJZSA-N 1 3 312.501 3.803 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC000566777944 1018758748 /nfs/dbraw/zinc/75/87/48/1018758748.db2.gz LHNNYHMMRLBOFK-CVEARBPZSA-N 1 3 300.446 3.684 20 0 DHADHO COc1ccc2c(c1)nccc2NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000765525338 1018867565 /nfs/dbraw/zinc/86/75/65/1018867565.db2.gz LKDRKJWJGSKZRP-OAHLLOKOSA-N 1 3 313.445 3.633 20 0 DHADHO COc1ccc2c(c1)nccc2NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000765525338 1018867584 /nfs/dbraw/zinc/86/75/84/1018867584.db2.gz LKDRKJWJGSKZRP-OAHLLOKOSA-N 1 3 313.445 3.633 20 0 DHADHO C1CCC(N2CCC([NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)CC2)CC1 ZINC000921810733 1018892302 /nfs/dbraw/zinc/89/23/02/1018892302.db2.gz UTIJGLWMSOBJPW-ZIFCJYIRSA-N 1 3 320.521 3.578 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](F)C(F)(F)CC2)CC1(C)C ZINC001171629142 1032794309 /nfs/dbraw/zinc/79/43/09/1032794309.db2.gz NPYMPUBVUHIMMW-CYBMUJFWSA-N 1 3 306.416 3.707 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](F)C(F)(F)CC2)CC1(C)C ZINC001171629142 1032794317 /nfs/dbraw/zinc/79/43/17/1032794317.db2.gz NPYMPUBVUHIMMW-CYBMUJFWSA-N 1 3 306.416 3.707 20 0 DHADHO C[NH+]1C(C)(C)CC(N2CC[C@@H](F)C(F)(F)CC2)CC1(C)C ZINC001171629142 1032794326 /nfs/dbraw/zinc/79/43/26/1032794326.db2.gz NPYMPUBVUHIMMW-CYBMUJFWSA-N 1 3 306.416 3.707 20 0 DHADHO CC(C)CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000584080624 1018930029 /nfs/dbraw/zinc/93/00/29/1018930029.db2.gz KUTYOYQDHNVAHL-PXNSSMCTSA-N 1 3 318.505 3.884 20 0 DHADHO CC(C)CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000584080624 1018930041 /nfs/dbraw/zinc/93/00/41/1018930041.db2.gz KUTYOYQDHNVAHL-PXNSSMCTSA-N 1 3 318.505 3.884 20 0 DHADHO C[NH+]1C(C)(C)CC(N2CCC[C@@H]2c2cccnc2)CC1(C)C ZINC001171628731 1032796089 /nfs/dbraw/zinc/79/60/89/1032796089.db2.gz IHAZOBHLPVVDNY-QGZVFWFLSA-N 1 3 301.478 3.870 20 0 DHADHO CN1C(C)(C)CC([NH2+]CCCOCc2ccccc2)CC1(C)C ZINC001171621577 1032804327 /nfs/dbraw/zinc/80/43/27/1032804327.db2.gz NJAOMQZXPZNAQZ-UHFFFAOYSA-N 1 3 318.505 3.834 20 0 DHADHO C[NH+]1C(C)(C)CC(N[C@H]2C[C@@H]2c2ccc(F)cc2)CC1(C)C ZINC001171624530 1032806633 /nfs/dbraw/zinc/80/66/33/1032806633.db2.gz VGFCVKWHXDJUEU-SJORKVTESA-N 1 3 304.453 3.923 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@H]2C[C@@H]2c2ccc(F)cc2)CC1(C)C ZINC001171624530 1032806654 /nfs/dbraw/zinc/80/66/54/1032806654.db2.gz VGFCVKWHXDJUEU-SJORKVTESA-N 1 3 304.453 3.923 20 0 DHADHO CN1C(C)(C)CC([NH2+]CC2(c3ccccc3)CC2)CC1(C)C ZINC001171625720 1032806918 /nfs/dbraw/zinc/80/69/18/1032806918.db2.gz MXMJNYDITLBTAH-UHFFFAOYSA-N 1 3 300.490 3.959 20 0 DHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000708511463 1019098616 /nfs/dbraw/zinc/09/86/16/1019098616.db2.gz OGZRDASMRPATFX-BHIYHBOVSA-N 1 3 318.530 3.630 20 0 DHADHO Cc1ccnc(CCC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171623301 1032808042 /nfs/dbraw/zinc/80/80/42/1032808042.db2.gz SGHMTKUHEOVYJV-UHFFFAOYSA-N 1 3 303.494 3.564 20 0 DHADHO Cc1ccnc(C(C)(C)CNC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171626947 1032810277 /nfs/dbraw/zinc/81/02/77/1032810277.db2.gz IFPWJRZPCDYAHZ-UHFFFAOYSA-N 1 3 317.521 3.909 20 0 DHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C)nc1C ZINC000626063162 1019282577 /nfs/dbraw/zinc/28/25/77/1019282577.db2.gz UCJHHRVWVDSOQU-UHFFFAOYSA-N 1 3 311.473 3.782 20 0 DHADHO CC(C)[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1cccnc1 ZINC000091266753 1019453537 /nfs/dbraw/zinc/45/35/37/1019453537.db2.gz LGPKRXPAPCGBSC-HXUWFJFHSA-N 1 3 311.473 3.890 20 0 DHADHO CC(C)[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1cccnc1 ZINC000091266753 1019453544 /nfs/dbraw/zinc/45/35/44/1019453544.db2.gz LGPKRXPAPCGBSC-HXUWFJFHSA-N 1 3 311.473 3.890 20 0 DHADHO CC(C)[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccnc1 ZINC000091367586 1019462890 /nfs/dbraw/zinc/46/28/90/1019462890.db2.gz ZWRSIYSLKZJGGS-IBGZPJMESA-N 1 3 301.478 3.775 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC1(C)C ZINC001171638231 1032835036 /nfs/dbraw/zinc/83/50/36/1032835036.db2.gz XTBOWGFVZNDHIO-GOSISDBHSA-N 1 3 316.489 3.791 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1(C)C ZINC001171638231 1032835051 /nfs/dbraw/zinc/83/50/51/1032835051.db2.gz XTBOWGFVZNDHIO-GOSISDBHSA-N 1 3 316.489 3.791 20 0 DHADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(F)cn1 ZINC000092739415 1019534347 /nfs/dbraw/zinc/53/43/47/1019534347.db2.gz AFXZIBXLQHJUKX-OAGGEKHMSA-N 1 3 307.457 3.629 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C(C)(C)C(F)F ZINC000657868509 1019593709 /nfs/dbraw/zinc/59/37/09/1019593709.db2.gz UUSSWMXRDOHBLZ-WBVHZDCISA-N 1 3 324.459 3.820 20 0 DHADHO Cc1cc(Cl)ccc1OCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166295770 1019891816 /nfs/dbraw/zinc/89/18/16/1019891816.db2.gz ZDGORQZJBQOBBC-IAGOWNOFSA-N 1 3 322.880 3.634 20 0 DHADHO Cc1cc(Cl)ccc1OCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166295770 1019891837 /nfs/dbraw/zinc/89/18/37/1019891837.db2.gz ZDGORQZJBQOBBC-IAGOWNOFSA-N 1 3 322.880 3.634 20 0 DHADHO CC1([NH+]2CCCC2)CCC(NCc2ccncc2Cl)CC1 ZINC000922506340 1020106780 /nfs/dbraw/zinc/10/67/80/1020106780.db2.gz YTMVDOWIPYKEBJ-UHFFFAOYSA-N 1 3 307.869 3.622 20 0 DHADHO CC[C@H](COCC1CC1)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000658090999 1020134373 /nfs/dbraw/zinc/13/43/73/1020134373.db2.gz OGQFKLZZHITHHG-HQRMLTQVSA-N 1 3 322.537 3.824 20 0 DHADHO CCN1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731677871 1020138116 /nfs/dbraw/zinc/13/81/16/1020138116.db2.gz ANQILGFJGGHZHE-QGZVFWFLSA-N 1 3 316.489 3.612 20 0 DHADHO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000309902983 1020179595 /nfs/dbraw/zinc/17/95/95/1020179595.db2.gz WWVRMEJGYGPPJO-QGZVFWFLSA-N 1 3 324.468 3.794 20 0 DHADHO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000309902983 1020179602 /nfs/dbraw/zinc/17/96/02/1020179602.db2.gz WWVRMEJGYGPPJO-QGZVFWFLSA-N 1 3 324.468 3.794 20 0 DHADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000658161727 1020195941 /nfs/dbraw/zinc/19/59/41/1020195941.db2.gz AEZFGQTUHKQSAZ-FUHIMQAGSA-N 1 3 315.505 3.708 20 0 DHADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H](C)C1 ZINC000658165796 1020197222 /nfs/dbraw/zinc/19/72/22/1020197222.db2.gz LVBOYFJCYHEJNN-UWVAXJGDSA-N 1 3 315.505 3.708 20 0 DHADHO CC(C)[C@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166073 1020197463 /nfs/dbraw/zinc/19/74/63/1020197463.db2.gz MGWTUILTCMPOIW-WOJBJXKFSA-N 1 3 315.505 3.708 20 0 DHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCCCC1 ZINC000658164921 1020197535 /nfs/dbraw/zinc/19/75/35/1020197535.db2.gz GRHDEQIIKZMFCD-KRWDZBQOSA-N 1 3 315.505 3.852 20 0 DHADHO CC[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165425 1020200465 /nfs/dbraw/zinc/20/04/65/1020200465.db2.gz JPBNZMHOBVJION-PMACEKPBSA-N 1 3 315.505 3.852 20 0 DHADHO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000658281177 1020275528 /nfs/dbraw/zinc/27/55/28/1020275528.db2.gz NMNXJMWTSHMEGS-XIRDDKMYSA-N 1 3 322.443 3.778 20 0 DHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171808043 1032897745 /nfs/dbraw/zinc/89/77/45/1032897745.db2.gz XIWMFQAFUWDOPH-RCCFBDPRSA-N 1 3 316.464 3.632 20 0 DHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171808043 1032897754 /nfs/dbraw/zinc/89/77/54/1032897754.db2.gz XIWMFQAFUWDOPH-RCCFBDPRSA-N 1 3 316.464 3.632 20 0 DHADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1[C@@H]1Cc2cccc(F)c2C1 ZINC001171808043 1032897767 /nfs/dbraw/zinc/89/77/67/1032897767.db2.gz XIWMFQAFUWDOPH-RCCFBDPRSA-N 1 3 316.464 3.632 20 0 DHADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1[C@@H]1Cc2cccc(F)c2C1 ZINC001171808043 1032897783 /nfs/dbraw/zinc/89/77/83/1032897783.db2.gz XIWMFQAFUWDOPH-RCCFBDPRSA-N 1 3 316.464 3.632 20 0 DHADHO C[N@H+]1CC[C@H](NCC2(C(F)(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000340395078 1020407189 /nfs/dbraw/zinc/40/71/89/1020407189.db2.gz UHADBUGVJDQCEF-LSDHHAIUSA-N 1 3 312.379 3.754 20 0 DHADHO C[N@@H+]1CC[C@H](NCC2(C(F)(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000340395078 1020407184 /nfs/dbraw/zinc/40/71/84/1020407184.db2.gz UHADBUGVJDQCEF-LSDHHAIUSA-N 1 3 312.379 3.754 20 0 DHADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1C(F)(F)F ZINC000414274774 1021054505 /nfs/dbraw/zinc/05/45/05/1021054505.db2.gz QKLUBKJEUWQDMV-AWEZNQCLSA-N 1 3 312.379 3.588 20 0 DHADHO Cc1cc2c(cc1C)[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)CCS2 ZINC000187187889 1021170087 /nfs/dbraw/zinc/17/00/87/1021170087.db2.gz WZISUMPQUATZME-RDJZCZTQSA-N 1 3 304.503 3.772 20 0 DHADHO Cc1cc2c(cc1C)[C@@H](NC[C@@H]1CCC[N@H+](C)C1)CCS2 ZINC000187187889 1021170092 /nfs/dbraw/zinc/17/00/92/1021170092.db2.gz WZISUMPQUATZME-RDJZCZTQSA-N 1 3 304.503 3.772 20 0 DHADHO Cc1cc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)sc1Br ZINC000423380344 1021195122 /nfs/dbraw/zinc/19/51/22/1021195122.db2.gz YLBPZMLVDCAUDV-DCAQKATOSA-N 1 3 317.296 3.740 20 0 DHADHO CC(C)[C@@H]([NH3+])CCN(C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000251316841 1021220028 /nfs/dbraw/zinc/22/00/28/1021220028.db2.gz LJHRXNLAPAGOKO-DOMZBBRYSA-N 1 3 300.393 3.654 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(OC(F)F)c1 ZINC000624119498 1021346722 /nfs/dbraw/zinc/34/67/22/1021346722.db2.gz CZZUDAAWIOUZNS-UONOGXRCSA-N 1 3 312.404 3.671 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc2c(c1)CCO2 ZINC000125800191 1032976414 /nfs/dbraw/zinc/97/64/14/1032976414.db2.gz SBBHEAALAJAQIA-LPHOPBHVSA-N 1 3 316.489 3.783 20 0 DHADHO N[C@@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1F ZINC001206154420 1032979283 /nfs/dbraw/zinc/97/92/83/1032979283.db2.gz IXQSOFVYKDOSPI-RTBURBONSA-N 1 3 314.404 3.740 20 0 DHADHO N[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1F ZINC001206154420 1032979290 /nfs/dbraw/zinc/97/92/90/1032979290.db2.gz IXQSOFVYKDOSPI-RTBURBONSA-N 1 3 314.404 3.740 20 0 DHADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCCO2 ZINC000850424295 1021523362 /nfs/dbraw/zinc/52/33/62/1021523362.db2.gz IEVNJZPJPDZTPJ-INIZCTEOSA-N 1 3 324.468 3.924 20 0 DHADHO C[C@@H](CSCCF)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000850430519 1021528304 /nfs/dbraw/zinc/52/83/04/1021528304.db2.gz MABGRKKVDDVZIV-HNNXBMFYSA-N 1 3 316.530 3.712 20 0 DHADHO C[C@@H](CSCCF)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000850430519 1021528319 /nfs/dbraw/zinc/52/83/19/1021528319.db2.gz MABGRKKVDDVZIV-HNNXBMFYSA-N 1 3 316.530 3.712 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850433799 1021530590 /nfs/dbraw/zinc/53/05/90/1021530590.db2.gz QMUALWJLSOTFLZ-SJORKVTESA-N 1 3 316.489 3.783 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc2c(c1)CCCO2 ZINC000850440383 1021535337 /nfs/dbraw/zinc/53/53/37/1021535337.db2.gz WZYPPHSYAWHHEG-BMGDILEWSA-N 1 3 302.462 3.535 20 0 DHADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000850441516 1021535494 /nfs/dbraw/zinc/53/54/94/1021535494.db2.gz AUFFHINQNCTGPS-OAHLLOKOSA-N 1 3 316.489 3.925 20 0 DHADHO C[C@@H](NCC1CC[NH+](CC2CC2)CC1)c1cccnc1Cl ZINC000850583972 1021624599 /nfs/dbraw/zinc/62/45/99/1021624599.db2.gz PBAMGOGXVVFBNL-CYBMUJFWSA-N 1 3 307.869 3.508 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3c(Cl)cccc3C1)C2 ZINC001172128596 1032992589 /nfs/dbraw/zinc/99/25/89/1032992589.db2.gz SPCHBLNOHVKUFN-ZSHCYNCHSA-N 1 3 304.865 3.713 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3c(Cl)cccc3C1)C2 ZINC001172128596 1032992601 /nfs/dbraw/zinc/99/26/01/1032992601.db2.gz SPCHBLNOHVKUFN-ZSHCYNCHSA-N 1 3 304.865 3.713 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001172110839 1033009053 /nfs/dbraw/zinc/00/90/53/1033009053.db2.gz PXMGCRHGMPHIQX-CUSZFKRNSA-N 1 3 319.880 3.791 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](c1cccc(F)c1)C1CC1)C2 ZINC001172110691 1033012751 /nfs/dbraw/zinc/01/27/51/1033012751.db2.gz LTVRKFVASIMOMZ-AKHDSKFASA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](c1cccc(F)c1)C1CC1)C2 ZINC001172110691 1033012764 /nfs/dbraw/zinc/01/27/64/1033012764.db2.gz LTVRKFVASIMOMZ-AKHDSKFASA-N 1 3 302.437 3.882 20 0 DHADHO CCSc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000930459234 1021920672 /nfs/dbraw/zinc/92/06/72/1021920672.db2.gz GLPVJQRWTVWSPB-SJPCQFCGSA-N 1 3 304.503 3.856 20 0 DHADHO CCSc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000930459234 1021920684 /nfs/dbraw/zinc/92/06/84/1021920684.db2.gz GLPVJQRWTVWSPB-SJPCQFCGSA-N 1 3 304.503 3.856 20 0 DHADHO CC[NH2+]CC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000262337108 1021923849 /nfs/dbraw/zinc/92/38/49/1021923849.db2.gz TXXKRBSPEYDFPG-UHFFFAOYSA-N 1 3 317.864 3.710 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3Cl)CCC1)C2 ZINC001169116273 1022258922 /nfs/dbraw/zinc/25/89/22/1022258922.db2.gz PMHJTZCXMOLIQG-QKDCVEJESA-N 1 3 304.865 3.934 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Oc3ccccn3)cc1)C2 ZINC001169115308 1022270604 /nfs/dbraw/zinc/27/06/04/1022270604.db2.gz ILOVUNDYYKDJRM-BCDXTJNWSA-N 1 3 323.440 3.589 20 0 DHADHO C[C@@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654931 1022384136 /nfs/dbraw/zinc/38/41/36/1022384136.db2.gz KBGVSQAKSZSJHO-NVXWUHKLSA-N 1 3 306.881 3.648 20 0 DHADHO C[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654931 1022384153 /nfs/dbraw/zinc/38/41/53/1022384153.db2.gz KBGVSQAKSZSJHO-NVXWUHKLSA-N 1 3 306.881 3.648 20 0 DHADHO C[C@@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000155980069 1022432791 /nfs/dbraw/zinc/43/27/91/1022432791.db2.gz MDKACQDDOZLGHD-YLJYHZDGSA-N 1 3 309.457 3.787 20 0 DHADHO C[C@@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000155980069 1022432797 /nfs/dbraw/zinc/43/27/97/1022432797.db2.gz MDKACQDDOZLGHD-YLJYHZDGSA-N 1 3 309.457 3.787 20 0 DHADHO C[NH+](C)CCC1CCN(CCSc2ccccc2F)CC1 ZINC000615462786 1022491190 /nfs/dbraw/zinc/49/11/90/1022491190.db2.gz UFLYYOXEBZOTTP-UHFFFAOYSA-N 1 3 310.482 3.582 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)c1cncs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272366949 1022499769 /nfs/dbraw/zinc/49/97/69/1022499769.db2.gz TXQQDGNRAKWJAY-VYDXJSESSA-N 1 3 315.486 3.704 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157052319 1022517203 /nfs/dbraw/zinc/51/72/03/1022517203.db2.gz ULNWCKGPBVOBHH-HOTGVXAUSA-N 1 3 304.478 3.856 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157052319 1022517211 /nfs/dbraw/zinc/51/72/11/1022517211.db2.gz ULNWCKGPBVOBHH-HOTGVXAUSA-N 1 3 304.478 3.856 20 0 DHADHO COCCC[NH+]1CCC(NC(C)(C)c2ccc(Cl)cc2)CC1 ZINC001172245002 1033066754 /nfs/dbraw/zinc/06/67/54/1033066754.db2.gz MFCQRDAMKCWJMZ-UHFFFAOYSA-N 1 3 324.896 3.666 20 0 DHADHO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccc(F)c(C)c1 ZINC001172250237 1033070518 /nfs/dbraw/zinc/07/05/18/1033070518.db2.gz VLADQZGNRTUTRS-IBGZPJMESA-N 1 3 322.468 3.676 20 0 DHADHO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CCO1 ZINC000925631362 1022899242 /nfs/dbraw/zinc/89/92/42/1022899242.db2.gz XPIQCKBGOZGNAR-ZRNYENFQSA-N 1 3 322.537 3.728 20 0 DHADHO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCO1 ZINC000925631360 1022902339 /nfs/dbraw/zinc/90/23/39/1022902339.db2.gz XPIQCKBGOZGNAR-WCIQWLHISA-N 1 3 322.537 3.728 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000414908384 1022904384 /nfs/dbraw/zinc/90/43/84/1022904384.db2.gz BGVFNFUYSKTPDX-QWRGUYRKSA-N 1 3 306.759 3.718 20 0 DHADHO CCCOc1cc(C)ccc1C[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000167674282 1023041183 /nfs/dbraw/zinc/04/11/83/1023041183.db2.gz KSWTXTYWINIORQ-WMZOPIPTSA-N 1 3 304.478 3.604 20 0 DHADHO CCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000167675447 1023042032 /nfs/dbraw/zinc/04/20/32/1023042032.db2.gz MRMBYTFPLOSWTD-XYJFISCASA-N 1 3 304.478 3.602 20 0 DHADHO Clc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000250751394 1023101302 /nfs/dbraw/zinc/10/13/02/1023101302.db2.gz KUKZVBWGQMIMNN-GJZGRUSLSA-N 1 3 313.272 3.752 20 0 DHADHO Clc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000250751394 1023101309 /nfs/dbraw/zinc/10/13/09/1023101309.db2.gz KUKZVBWGQMIMNN-GJZGRUSLSA-N 1 3 313.272 3.752 20 0 DHADHO CC(C)CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000538569670 1033107825 /nfs/dbraw/zinc/10/78/25/1033107825.db2.gz RXNSZAUYSDJMBX-ZHALLVOQSA-N 1 3 318.505 3.930 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCSc1cccc(Cl)c1)C2 ZINC000660543005 1023315672 /nfs/dbraw/zinc/31/56/72/1023315672.db2.gz ZDAPIFSLWIOJBV-XYPWUTKMSA-N 1 3 324.921 3.989 20 0 DHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCSc1cccc(Cl)c1)C2 ZINC000660543005 1023315680 /nfs/dbraw/zinc/31/56/80/1023315680.db2.gz ZDAPIFSLWIOJBV-XYPWUTKMSA-N 1 3 324.921 3.989 20 0 DHADHO c1cncc([C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C2CCCCC2)c1 ZINC000652138564 1023355802 /nfs/dbraw/zinc/35/58/02/1023355802.db2.gz IHXXDEWNNHUSSB-UZLBHIALSA-N 1 3 313.489 3.777 20 0 DHADHO c1cncc([C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CCCCC2)c1 ZINC000652138564 1023355809 /nfs/dbraw/zinc/35/58/09/1023355809.db2.gz IHXXDEWNNHUSSB-UZLBHIALSA-N 1 3 313.489 3.777 20 0 DHADHO CC[C@@H](C)OCC[C@H](C)[NH+]1CCC(N)(c2ccccc2F)CC1 ZINC001172341441 1033126524 /nfs/dbraw/zinc/12/65/24/1033126524.db2.gz ZXJZUKAOWBTMLM-JKSUJKDBSA-N 1 3 322.468 3.669 20 0 DHADHO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925719204 1023416159 /nfs/dbraw/zinc/41/61/59/1023416159.db2.gz MBNJJBLKFYMXPC-CABCVRRESA-N 1 3 302.453 3.816 20 0 DHADHO C1CC1[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000651928394 1023649128 /nfs/dbraw/zinc/64/91/28/1023649128.db2.gz FZRKRVMMELUOLR-FQEVSTJZSA-N 1 3 320.521 3.578 20 0 DHADHO COc1cccc([C@@]2(C)CC[N@H+](CCCN3CCCCC3)C2)c1 ZINC000661711842 1023701131 /nfs/dbraw/zinc/70/11/31/1023701131.db2.gz KGPRFVLZBQSALC-FQEVSTJZSA-N 1 3 316.489 3.535 20 0 DHADHO COc1cccc([C@@]2(C)CC[N@@H+](CCCN3CCCCC3)C2)c1 ZINC000661711842 1023701139 /nfs/dbraw/zinc/70/11/39/1023701139.db2.gz KGPRFVLZBQSALC-FQEVSTJZSA-N 1 3 316.489 3.535 20 0 DHADHO CC[C@H](OCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000652235726 1023710045 /nfs/dbraw/zinc/71/00/45/1023710045.db2.gz QGKGBPZGGLCWLA-ZRNYENFQSA-N 1 3 316.489 3.617 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](CCOC2CCC2)CC1 ZINC000367739929 1023737538 /nfs/dbraw/zinc/73/75/38/1023737538.db2.gz YGZBSWTYEBYAMP-LJQANCHMSA-N 1 3 316.489 3.542 20 0 DHADHO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](CCOC2CCC2)CC1 ZINC000367739929 1023737543 /nfs/dbraw/zinc/73/75/43/1023737543.db2.gz YGZBSWTYEBYAMP-LJQANCHMSA-N 1 3 316.489 3.542 20 0 DHADHO Fc1cccc(C2(NCc3ccc4c(c3)C[NH2+]CC4)CCC2)c1 ZINC000652341651 1023800945 /nfs/dbraw/zinc/80/09/45/1023800945.db2.gz BAKLQHOZXIFRAH-UHFFFAOYSA-N 1 3 310.416 3.640 20 0 DHADHO C[C@H]1CCC[N@H+](CCCCN[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788529083 1023906734 /nfs/dbraw/zinc/90/67/34/1023906734.db2.gz QQILSDQXQZMIIQ-GOEBONIOSA-N 1 3 321.896 3.824 20 0 DHADHO C[C@H]1CCC[N@@H+](CCCCN[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788529083 1023906737 /nfs/dbraw/zinc/90/67/37/1023906737.db2.gz QQILSDQXQZMIIQ-GOEBONIOSA-N 1 3 321.896 3.824 20 0 DHADHO CC[C@@H](CC(C)C)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001172395250 1033178006 /nfs/dbraw/zinc/17/80/06/1033178006.db2.gz JUVIPYPPBJBPCQ-LSDHHAIUSA-N 1 3 313.283 3.863 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccc(O)cc3)CC2)C1 ZINC000268841718 1024177192 /nfs/dbraw/zinc/17/71/92/1024177192.db2.gz ZRGNBIHAYUGVAQ-VQIMIIECSA-N 1 3 316.489 3.567 20 0 DHADHO Cc1ccc([C@@H](C)NCC2([NH+]3CCCC3)CCOCC2)c(C)c1 ZINC000268870892 1024183392 /nfs/dbraw/zinc/18/33/92/1024183392.db2.gz KEOQKEGBEDFRDY-GOSISDBHSA-N 1 3 316.489 3.599 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000069392880 1024280334 /nfs/dbraw/zinc/28/03/34/1024280334.db2.gz HWHJUWNJYJIPPZ-UONOGXRCSA-N 1 3 306.416 3.960 20 0 DHADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000069392880 1024280346 /nfs/dbraw/zinc/28/03/46/1024280346.db2.gz HWHJUWNJYJIPPZ-UONOGXRCSA-N 1 3 306.416 3.960 20 0 DHADHO C[C@H](CCCc1cccnc1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000453061234 1024308519 /nfs/dbraw/zinc/30/85/19/1024308519.db2.gz NLRWXGGBBGBAPD-ZWKOTPCHSA-N 1 3 303.494 3.504 20 0 DHADHO c1ccc(CN2CC[C@H]([NH2+]Cc3cccnc3)[C@@H]3CCC[C@H]32)cc1 ZINC000453061278 1024309263 /nfs/dbraw/zinc/30/92/63/1024309263.db2.gz SNPKHEPVVWKMNX-PCCBWWKXSA-N 1 3 321.468 3.614 20 0 DHADHO C[C@H](CC[NH2+][C@@H](C)CCCc1cccnc1)N1CCCCC1 ZINC000453192169 1024393043 /nfs/dbraw/zinc/39/30/43/1024393043.db2.gz JAMCSUJVBZDWLB-ZWKOTPCHSA-N 1 3 303.494 3.647 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)[C@H]1CCCOC1 ZINC000883352219 1024398201 /nfs/dbraw/zinc/39/82/01/1024398201.db2.gz WZIXJWBHKXOFDC-XEYPJELSSA-N 1 3 322.537 3.824 20 0 DHADHO FC1(F)CC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453210860 1024404108 /nfs/dbraw/zinc/40/41/08/1024404108.db2.gz MOYUUWDOFYNLDM-KSZLIROESA-N 1 3 320.427 3.817 20 0 DHADHO FC1(F)CC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453210860 1024404117 /nfs/dbraw/zinc/40/41/17/1024404117.db2.gz MOYUUWDOFYNLDM-KSZLIROESA-N 1 3 320.427 3.817 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453235195 1024417709 /nfs/dbraw/zinc/41/77/09/1024417709.db2.gz TYMBVWNZRCVADP-IECFSIQFSA-N 1 3 320.427 3.673 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453235195 1024417715 /nfs/dbraw/zinc/41/77/15/1024417715.db2.gz TYMBVWNZRCVADP-IECFSIQFSA-N 1 3 320.427 3.673 20 0 DHADHO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925777476 1024428135 /nfs/dbraw/zinc/42/81/35/1024428135.db2.gz DYTGQCAIEWWWAC-WMLDXEAASA-N 1 3 310.432 3.781 20 0 DHADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1nc2c(s1)CCCC2 ZINC000453390727 1024510854 /nfs/dbraw/zinc/51/08/54/1024510854.db2.gz DIAKLHQFQFTRDV-CYBMUJFWSA-N 1 3 307.507 3.547 20 0 DHADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1nc2c(s1)CCCC2 ZINC000453390727 1024510859 /nfs/dbraw/zinc/51/08/59/1024510859.db2.gz DIAKLHQFQFTRDV-CYBMUJFWSA-N 1 3 307.507 3.547 20 0 DHADHO Brc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000643522343 1024518064 /nfs/dbraw/zinc/51/80/64/1024518064.db2.gz LWUCEOUBXOGUHO-HOCLYGCPSA-N 1 3 323.278 3.558 20 0 DHADHO CC(C)COCC[C@@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001172467275 1033217095 /nfs/dbraw/zinc/21/70/95/1033217095.db2.gz LOXBWOBCAJZEEX-MOPGFXCFSA-N 1 3 322.537 3.848 20 0 DHADHO CC[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccn(C)n1 ZINC000349761737 1024748844 /nfs/dbraw/zinc/74/88/44/1024748844.db2.gz ZNIIHXQNPSYTFS-DAWZGUTISA-N 1 3 318.509 3.504 20 0 DHADHO Clc1ccc2sc(C[NH2+]CCCN3CCCC3)cc2n1 ZINC000877143951 1033255580 /nfs/dbraw/zinc/25/55/80/1033255580.db2.gz ZKGJNPASFJBKBZ-UHFFFAOYSA-N 1 3 309.866 3.525 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000021814633 1025102928 /nfs/dbraw/zinc/10/29/28/1025102928.db2.gz CWPRQLIMLQGRMX-ZDUSSCGKSA-N 1 3 300.368 3.842 20 0 DHADHO Cc1scc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1C ZINC000635024373 1025217395 /nfs/dbraw/zinc/21/73/95/1025217395.db2.gz XHSIQFCOFNUXEW-ZWKOTPCHSA-N 1 3 300.471 3.948 20 0 DHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000122977524 1025245329 /nfs/dbraw/zinc/24/53/29/1025245329.db2.gz APKRLRRIFXZPMM-HNNXBMFYSA-N 1 3 320.477 3.619 20 0 DHADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000279836748 1025281273 /nfs/dbraw/zinc/28/12/73/1025281273.db2.gz ZNEJHWKBYOBNMV-OXQOHEQNSA-N 1 3 316.489 3.759 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H]1CCc2c1nccc2Cl ZINC000924684861 1033282579 /nfs/dbraw/zinc/28/25/79/1033282579.db2.gz GIIJJIOLTWXAFS-RHSMWYFYSA-N 1 3 321.896 3.967 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@@H]1CCc2c1nccc2Cl ZINC000924684861 1033282587 /nfs/dbraw/zinc/28/25/87/1033282587.db2.gz GIIJJIOLTWXAFS-RHSMWYFYSA-N 1 3 321.896 3.967 20 0 DHADHO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000886588687 1025727032 /nfs/dbraw/zinc/72/70/32/1025727032.db2.gz XHDIHEBCYLMTGL-VUHPKUFZSA-N 1 3 308.510 3.577 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(-c3cccnc3)c2)[C@H](C)C1 ZINC000093638998 1026119990 /nfs/dbraw/zinc/11/99/90/1026119990.db2.gz QDUMJOOMASFQGJ-UTKZUKDTSA-N 1 3 323.484 3.911 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(-c3cccnc3)c2)[C@H](C)C1 ZINC000093638998 1026119997 /nfs/dbraw/zinc/11/99/97/1026119997.db2.gz QDUMJOOMASFQGJ-UTKZUKDTSA-N 1 3 323.484 3.911 20 0 DHADHO CC(C)[NH+]1CCC(NCc2cc3c(cccc3O)s2)CC1 ZINC000894162108 1026211858 /nfs/dbraw/zinc/21/18/58/1026211858.db2.gz XVNKVLJEAOGOLF-UHFFFAOYSA-N 1 3 304.459 3.569 20 0 DHADHO CC[N@@H+]1CC[C@@H](CNC/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000289899193 1026222892 /nfs/dbraw/zinc/22/28/92/1026222892.db2.gz NIFCKBUZHDCBQM-IPJDOKCGSA-N 1 3 324.415 3.623 20 0 DHADHO CC[N@H+]1CC[C@@H](CNC/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000289899193 1026222902 /nfs/dbraw/zinc/22/29/02/1026222902.db2.gz NIFCKBUZHDCBQM-IPJDOKCGSA-N 1 3 324.415 3.623 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2csc3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000513664961 1026558902 /nfs/dbraw/zinc/55/89/02/1026558902.db2.gz AGVHDETYZHROJN-ULQDDVLXSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@H+]1CC[C@H](NCc2csc3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000513664961 1026558908 /nfs/dbraw/zinc/55/89/08/1026558908.db2.gz AGVHDETYZHROJN-ULQDDVLXSA-N 1 3 300.471 3.864 20 0 DHADHO CC[N@H+](CCCN1CCCC1)Cc1cc2cccc(OC)c2o1 ZINC000809749028 1026614142 /nfs/dbraw/zinc/61/41/42/1026614142.db2.gz AUNGKIIWVRGLRW-UHFFFAOYSA-N 1 3 316.445 3.749 20 0 DHADHO CC[N@@H+](CCCN1CCCC1)Cc1cc2cccc(OC)c2o1 ZINC000809749028 1026614150 /nfs/dbraw/zinc/61/41/50/1026614150.db2.gz AUNGKIIWVRGLRW-UHFFFAOYSA-N 1 3 316.445 3.749 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000280758959 1026704284 /nfs/dbraw/zinc/70/42/84/1026704284.db2.gz FGWUBDXRVPXPIT-KBPBESRZSA-N 1 3 314.395 3.568 20 0 DHADHO Cc1cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)ccc1C(F)(F)F ZINC000414450870 1026798034 /nfs/dbraw/zinc/79/80/34/1026798034.db2.gz HTTHACZYTHGMLR-MRXNPFEDSA-N 1 3 312.379 3.541 20 0 DHADHO Cc1cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)ccc1C(F)(F)F ZINC000414450870 1026798042 /nfs/dbraw/zinc/79/80/42/1026798042.db2.gz HTTHACZYTHGMLR-MRXNPFEDSA-N 1 3 312.379 3.541 20 0 DHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000420302871 1026800225 /nfs/dbraw/zinc/80/02/25/1026800225.db2.gz JUSUVJFKQYTRBW-CTNGQTDRSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000420302871 1026800237 /nfs/dbraw/zinc/80/02/37/1026800237.db2.gz JUSUVJFKQYTRBW-CTNGQTDRSA-N 1 3 324.468 3.883 20 0 DHADHO CC[C@H](c1ccc(F)cc1F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420340527 1026802944 /nfs/dbraw/zinc/80/29/44/1026802944.db2.gz SHDMPXRUEPFQEL-ZWKOTPCHSA-N 1 3 308.416 3.880 20 0 DHADHO C[C@H](c1ccc(Cl)cc1)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420386941 1026812055 /nfs/dbraw/zinc/81/20/55/1026812055.db2.gz VJKKOVIFYXQFQX-JEBQAFNWSA-N 1 3 322.880 3.619 20 0 DHADHO COc1ccc([C@H](CN)C[NH2+][C@@H](C)c2cccc(C)c2C)cc1 ZINC000420415730 1026813489 /nfs/dbraw/zinc/81/34/89/1026813489.db2.gz VDGDMHCKQBGSSV-FUHWJXTLSA-N 1 3 312.457 3.705 20 0 DHADHO CN(CCCCCC[NH3+])Cc1cccc(Br)c1F ZINC000710764424 1026973883 /nfs/dbraw/zinc/97/38/83/1026973883.db2.gz GIVYBYBQVPHQAK-UHFFFAOYSA-N 1 3 317.246 3.539 20 0 DHADHO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C)n1 ZINC000421848197 1027075511 /nfs/dbraw/zinc/07/55/11/1027075511.db2.gz ABKYTURWFCSJGS-IIBYNOLFSA-N 1 3 323.484 3.699 20 0 DHADHO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(C)n1 ZINC000421848197 1027075518 /nfs/dbraw/zinc/07/55/18/1027075518.db2.gz ABKYTURWFCSJGS-IIBYNOLFSA-N 1 3 323.484 3.699 20 0 DHADHO COc1ccc2c(c1F)CC[C@H]2N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000572201069 1027182804 /nfs/dbraw/zinc/18/28/04/1027182804.db2.gz SSIFXKMUXZGNMJ-NVXWUHKLSA-N 1 3 322.468 3.778 20 0 DHADHO NC[C@H]1CCC[C@@H]1[NH2+]CCSCc1cccc2ccccc21 ZINC000422758583 1027306040 /nfs/dbraw/zinc/30/60/40/1027306040.db2.gz KLAYHDQSCJGZCY-APWZRJJASA-N 1 3 314.498 3.790 20 0 DHADHO Cc1[nH]c2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2c1C ZINC000422724567 1027307595 /nfs/dbraw/zinc/30/75/95/1027307595.db2.gz WAWRFNOWDCSLQV-BHIYHBOVSA-N 1 3 311.473 3.795 20 0 DHADHO CC(C)(C)[C@@H]1OCCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422754852 1027314390 /nfs/dbraw/zinc/31/43/90/1027314390.db2.gz GGMZNSWVLAAXHF-BVPBIZIASA-N 1 3 302.462 3.562 20 0 DHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([C@H](C)[NH3+])cc1 ZINC001170681083 1027324753 /nfs/dbraw/zinc/32/47/53/1027324753.db2.gz FXERNGKVCNCOSR-KBPBESRZSA-N 1 3 306.413 3.579 20 0 DHADHO Fc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CCCC2)cc1 ZINC000422792089 1027329916 /nfs/dbraw/zinc/32/99/16/1027329916.db2.gz WWDSHSQAVHCRJZ-SWDXFRIISA-N 1 3 302.437 3.930 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000422812936 1027331419 /nfs/dbraw/zinc/33/14/19/1027331419.db2.gz YMSOUZCJFXAMPC-GJZGRUSLSA-N 1 3 316.420 3.620 20 0 DHADHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422789501 1027331647 /nfs/dbraw/zinc/33/16/47/1027331647.db2.gz WXZUPYLHUTXEHU-ZVDOUQERSA-N 1 3 322.452 3.983 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccccc2)CCC1 ZINC000422812169 1027331904 /nfs/dbraw/zinc/33/19/04/1027331904.db2.gz QBVSIPAUBSBYBF-OAHLLOKOSA-N 1 3 309.457 3.621 20 0 DHADHO Cc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000422903625 1027353606 /nfs/dbraw/zinc/35/36/06/1027353606.db2.gz OQBNLCQVAXLRJE-HNNXBMFYSA-N 1 3 309.457 3.540 20 0 DHADHO c1c2ccccc2sc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422900768 1027354665 /nfs/dbraw/zinc/35/46/65/1027354665.db2.gz JYPIGXYPABRECS-IXDOHACOSA-N 1 3 300.471 3.912 20 0 DHADHO Cc1ccccc1C1(C[NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000422903627 1027354848 /nfs/dbraw/zinc/35/48/48/1027354848.db2.gz OQBNLCQVAXLRJE-OAHLLOKOSA-N 1 3 309.457 3.540 20 0 DHADHO c1c2ccccc2oc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422923152 1027362407 /nfs/dbraw/zinc/36/24/07/1027362407.db2.gz RHBTWCXSLFCIAV-GUDVDZBRSA-N 1 3 312.457 3.876 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCC[NH+]1CCCC1 ZINC000574194405 1027370103 /nfs/dbraw/zinc/37/01/03/1027370103.db2.gz UUVTTZAEGUQZMP-LJQANCHMSA-N 1 3 311.473 3.929 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCCC[NH+]1CCCC1 ZINC000574194398 1027372240 /nfs/dbraw/zinc/37/22/40/1027372240.db2.gz UUVTTZAEGUQZMP-IBGZPJMESA-N 1 3 311.473 3.929 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422995223 1027382709 /nfs/dbraw/zinc/38/27/09/1027382709.db2.gz JQALWAOMIGFFLW-OAHLLOKOSA-N 1 3 309.457 3.522 20 0 DHADHO CC[C@H](CSc1ccc(C)c(C)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000422999025 1027385973 /nfs/dbraw/zinc/38/59/73/1027385973.db2.gz DMHMIBGLPPIEQN-IAGOWNOFSA-N 1 3 306.519 3.906 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000423023304 1027395419 /nfs/dbraw/zinc/39/54/19/1027395419.db2.gz JLKSPOXGDSGGLJ-IAMHBRQHSA-N 1 3 309.457 3.823 20 0 DHADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccnc1Cl ZINC000157921073 1027398465 /nfs/dbraw/zinc/39/84/65/1027398465.db2.gz YCYHUUVNJLQDST-CABCVRRESA-N 1 3 309.885 3.898 20 0 DHADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccnc1Cl ZINC000157921073 1027398481 /nfs/dbraw/zinc/39/84/81/1027398481.db2.gz YCYHUUVNJLQDST-CABCVRRESA-N 1 3 309.885 3.898 20 0 DHADHO CN1CCCC[C@H]1CC[NH+]1CCC(Sc2ccccn2)CC1 ZINC000362821924 1027399613 /nfs/dbraw/zinc/39/96/13/1027399613.db2.gz BLTXNKFWVDYTFP-INIZCTEOSA-N 1 3 319.518 3.513 20 0 DHADHO C[C@H](Cc1ccccc1C(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423044655 1027400380 /nfs/dbraw/zinc/40/03/80/1027400380.db2.gz RBOMHBQBCZDHAF-SQPSOYEMSA-N 1 3 312.379 3.509 20 0 DHADHO C[C@@H](NCC1(c2c(Cl)cccc2Cl)CCC1)C1C[NH2+]C1 ZINC000423087695 1027411155 /nfs/dbraw/zinc/41/11/55/1027411155.db2.gz OQOLGRKCRDNIDA-LLVKDONJSA-N 1 3 313.272 3.613 20 0 DHADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423098677 1027415280 /nfs/dbraw/zinc/41/52/80/1027415280.db2.gz DFBTYMJKEKHRGM-WFASDCNBSA-N 1 3 321.877 3.681 20 0 DHADHO C[C@@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000423075830 1027417375 /nfs/dbraw/zinc/41/73/75/1027417375.db2.gz PLSYPQRHCNTKNM-HNONPPJISA-N 1 3 322.880 3.618 20 0 DHADHO C[C@@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000423117355 1027418474 /nfs/dbraw/zinc/41/84/74/1027418474.db2.gz VBSWWRLYGWSZCE-DJSGYFEHSA-N 1 3 312.379 3.744 20 0 DHADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000423124282 1027421382 /nfs/dbraw/zinc/42/13/82/1027421382.db2.gz ODEFRPBGYWFCNQ-HRCADAONSA-N 1 3 314.395 3.515 20 0 DHADHO N[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c2ccccc21 ZINC000423122348 1027422255 /nfs/dbraw/zinc/42/22/55/1027422255.db2.gz KJTZZGWXCZXUMM-XLNTUCKNSA-N 1 3 308.425 3.641 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CCCc2c(F)cccc21 ZINC000423148333 1027432531 /nfs/dbraw/zinc/43/25/31/1027432531.db2.gz VDJXGYFMBBAXDE-YJYMSZOUSA-N 1 3 313.420 3.716 20 0 DHADHO CC[C@@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423173106 1027438539 /nfs/dbraw/zinc/43/85/39/1027438539.db2.gz WXZUPYLHUTXEHU-DYXWJJEUSA-N 1 3 322.452 3.983 20 0 DHADHO NC1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CCCCCC1 ZINC000423207649 1027445148 /nfs/dbraw/zinc/44/51/48/1027445148.db2.gz XYVFNWPOCYCKGE-IEBWSBKVSA-N 1 3 316.489 3.796 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423212910 1027451616 /nfs/dbraw/zinc/45/16/16/1027451616.db2.gz JELYDCHZSHHTEK-CLCXKQKWSA-N 1 3 311.473 3.831 20 0 DHADHO NCCC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423196963 1027453566 /nfs/dbraw/zinc/45/35/66/1027453566.db2.gz XBFHIUPHFSKXEX-UHFFFAOYSA-N 1 3 300.368 3.670 20 0 DHADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000423280414 1027493889 /nfs/dbraw/zinc/49/38/89/1027493889.db2.gz UCUZGSNBWCXSLS-BXUZGUMPSA-N 1 3 302.434 3.678 20 0 DHADHO COc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423220871 1027462572 /nfs/dbraw/zinc/46/25/72/1027462572.db2.gz WCGLSAYETUQUGW-OWCLPIDISA-N 1 3 312.457 3.887 20 0 DHADHO CC(C)[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423220907 1027463384 /nfs/dbraw/zinc/46/33/84/1027463384.db2.gz YVESWZNXAQRPKH-CZUORRHYSA-N 1 3 314.395 3.992 20 0 DHADHO C[C@H](NC1CCC([NH3+])CC1)c1csc(-c2ccccc2F)n1 ZINC000423231770 1027468733 /nfs/dbraw/zinc/46/87/33/1027468733.db2.gz LTSGDKOPFHVWND-HIFPTAJRSA-N 1 3 319.449 3.870 20 0 DHADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423241145 1027472572 /nfs/dbraw/zinc/47/25/72/1027472572.db2.gz DECUGAIGEJKXDC-QWHCGFSZSA-N 1 3 319.449 3.599 20 0 DHADHO C[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc2ccccc2c1OC(F)F ZINC000423275626 1027494561 /nfs/dbraw/zinc/49/45/61/1027494561.db2.gz MACAQEPFUPHWJQ-BZNIZROVSA-N 1 3 320.383 3.829 20 0 DHADHO Clc1ccc([C@H](NCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423348643 1027506013 /nfs/dbraw/zinc/50/60/13/1027506013.db2.gz UTCXVSQPHXXYPE-LJQANCHMSA-N 1 3 312.844 3.939 20 0 DHADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000423324081 1027507179 /nfs/dbraw/zinc/50/71/79/1027507179.db2.gz KEFTVDHGBYGLLU-NSHDSACASA-N 1 3 318.408 3.873 20 0 DHADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(OCc2ccccc2)cc1 ZINC000423334540 1027514984 /nfs/dbraw/zinc/51/49/84/1027514984.db2.gz WQRZBXKEZUBFFK-YWZLYKJASA-N 1 3 310.441 3.654 20 0 DHADHO Cc1cccc([C@H](NCC2=CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000423353033 1027517836 /nfs/dbraw/zinc/51/78/36/1027517836.db2.gz LHCXVCLHBKAQAJ-FQEVSTJZSA-N 1 3 310.416 3.733 20 0 DHADHO Cc1cccc([C@@H](NCC2=CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000423353034 1027518228 /nfs/dbraw/zinc/51/82/28/1027518228.db2.gz LHCXVCLHBKAQAJ-HXUWFJFHSA-N 1 3 310.416 3.733 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000423362642 1027520919 /nfs/dbraw/zinc/52/09/19/1027520919.db2.gz BJTIYCJHKZRSIJ-HUHSQHJXSA-N 1 3 306.881 3.639 20 0 DHADHO C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000423363023 1027521403 /nfs/dbraw/zinc/52/14/03/1027521403.db2.gz AERMAERONVCAGX-ZOBORPQBSA-N 1 3 303.475 3.518 20 0 DHADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423382108 1027527962 /nfs/dbraw/zinc/52/79/62/1027527962.db2.gz DFYXTXBHYWDBAS-IIDMSEBBSA-N 1 3 313.489 3.812 20 0 DHADHO COc1ccsc1[C@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423506363 1027566358 /nfs/dbraw/zinc/56/63/58/1027566358.db2.gz ILPSRDYBGAZWIV-ZFWWWQNUSA-N 1 3 304.459 3.888 20 0 DHADHO COc1ccc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c(F)c1 ZINC000423517487 1027578480 /nfs/dbraw/zinc/57/84/80/1027578480.db2.gz YXLVHSWTZAFUTH-KUHUBIRLSA-N 1 3 316.420 3.965 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296278952 1027595161 /nfs/dbraw/zinc/59/51/61/1027595161.db2.gz CEPSCXLMICNCSU-HNNXBMFYSA-N 1 3 321.896 3.965 20 0 DHADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(SC(F)F)cc1 ZINC000813876952 1027747109 /nfs/dbraw/zinc/74/71/09/1027747109.db2.gz FIOSUHIZRSMNPL-NWDGAFQWSA-N 1 3 302.434 3.850 20 0 DHADHO Cc1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)ccn1 ZINC000527533219 1027737516 /nfs/dbraw/zinc/73/75/16/1027737516.db2.gz HKDIVVQXEXYPKY-UHFFFAOYSA-N 1 3 323.484 3.734 20 0 DHADHO Cc1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)ccn1 ZINC000527533219 1027737528 /nfs/dbraw/zinc/73/75/28/1027737528.db2.gz HKDIVVQXEXYPKY-UHFFFAOYSA-N 1 3 323.484 3.734 20 0 DHADHO C[C@@H]([NH2+]CC1Cc2ccccc2C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000578109295 1028052552 /nfs/dbraw/zinc/05/25/52/1028052552.db2.gz DSBWKDFISCUPMP-OXQOHEQNSA-N 1 3 312.501 3.644 20 0 DHADHO Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000367634876 1028218453 /nfs/dbraw/zinc/21/84/53/1028218453.db2.gz PGQVMHRLQOGPLV-SUMWQHHRSA-N 1 3 320.864 3.628 20 0 DHADHO COc1ccc(F)c(CNC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000815129235 1028372309 /nfs/dbraw/zinc/37/23/09/1028372309.db2.gz VXFGZGBRAUEAKA-UHFFFAOYSA-N 1 3 320.452 3.721 20 0 DHADHO CC(C)[C@](C)(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449154127 1028405859 /nfs/dbraw/zinc/40/58/59/1028405859.db2.gz LVLWOHVLNSRZIS-LJQANCHMSA-N 1 3 312.542 3.662 20 0 DHADHO CC(C)[C@@](C)(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449154126 1028406293 /nfs/dbraw/zinc/40/62/93/1028406293.db2.gz LVLWOHVLNSRZIS-IBGZPJMESA-N 1 3 312.542 3.662 20 0 DHADHO C[NH+](C)CCCN[C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000579626721 1028451900 /nfs/dbraw/zinc/45/19/00/1028451900.db2.gz GVOXGEDFJDLROU-LJQANCHMSA-N 1 3 300.421 3.651 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@]2(C)CCCOC2)CC1 ZINC000449223126 1028462034 /nfs/dbraw/zinc/46/20/34/1028462034.db2.gz OAAPSHZEKGNWTO-IBGZPJMESA-N 1 3 310.526 3.824 20 0 DHADHO C[C@H](Cc1coc2ccccc12)NC1CC([NH+]2CCCCC2)C1 ZINC000449296945 1028520563 /nfs/dbraw/zinc/52/05/63/1028520563.db2.gz DRDZWPYAWBRPHR-FAEJEUNOSA-N 1 3 312.457 3.970 20 0 DHADHO C[C@H](CNC1CC([NH+]2CCCCC2)C1)c1cc(F)cc(F)c1 ZINC000449304301 1028523594 /nfs/dbraw/zinc/52/35/94/1028523594.db2.gz ZFZZIHGSXGNYMV-NLNFPOJYSA-N 1 3 308.416 3.675 20 0 DHADHO COc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc2ccccc21 ZINC000449330224 1028542360 /nfs/dbraw/zinc/54/23/60/1028542360.db2.gz KMWDJGPBFDBNGA-DNVCBOLYSA-N 1 3 312.457 3.620 20 0 DHADHO COc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc2ccccc21 ZINC000449330224 1028542369 /nfs/dbraw/zinc/54/23/69/1028542369.db2.gz KMWDJGPBFDBNGA-DNVCBOLYSA-N 1 3 312.457 3.620 20 0 DHADHO COc1cccc2c(C[N@@H+]3CCC[C@@H]4CN(C)CC[C@H]43)cccc12 ZINC000449330656 1028542689 /nfs/dbraw/zinc/54/26/89/1028542689.db2.gz LZIXOMDZFNSOLQ-YLJYHZDGSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(C[N@H+]3CCC[C@@H]4CN(C)CC[C@H]43)cccc12 ZINC000449330656 1028542694 /nfs/dbraw/zinc/54/26/94/1028542694.db2.gz LZIXOMDZFNSOLQ-YLJYHZDGSA-N 1 3 324.468 3.765 20 0 DHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CSC2(C)C)CC1 ZINC000449314896 1028549972 /nfs/dbraw/zinc/54/99/72/1028549972.db2.gz SLCDOMKHVXKBTG-MAUKXSAKSA-N 1 3 318.530 3.566 20 0 DHADHO COc1cccc2c(CN3CC[C@]4(C3)CCC[N@H+](C)C4)cccc12 ZINC000449345927 1028559591 /nfs/dbraw/zinc/55/95/91/1028559591.db2.gz XUBIZHGSWCCLQZ-OAQYLSRUSA-N 1 3 324.468 3.766 20 0 DHADHO COc1cccc2c(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)cccc12 ZINC000449345927 1028559597 /nfs/dbraw/zinc/55/95/97/1028559597.db2.gz XUBIZHGSWCCLQZ-OAQYLSRUSA-N 1 3 324.468 3.766 20 0 DHADHO C[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@]1(C)CCCO1 ZINC000815570825 1028566366 /nfs/dbraw/zinc/56/63/66/1028566366.db2.gz NDDWPTBJQNHPSO-APWZRJJASA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@]1(C)CCCO1 ZINC000815570825 1028566374 /nfs/dbraw/zinc/56/63/74/1028566374.db2.gz NDDWPTBJQNHPSO-APWZRJJASA-N 1 3 308.510 3.578 20 0 DHADHO CC(C)(C)c1csc(CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)n1 ZINC000566004110 1028664818 /nfs/dbraw/zinc/66/48/18/1028664818.db2.gz RNFLGGWNJVBOKC-HUUCEWRRSA-N 1 3 315.486 3.718 20 0 DHADHO CCC[NH+]1CCC(NCc2ccccc2-c2ccncc2)CC1 ZINC000371202916 1028677772 /nfs/dbraw/zinc/67/77/72/1028677772.db2.gz OFPNOQFBTRIZGD-UHFFFAOYSA-N 1 3 309.457 3.713 20 0 DHADHO CC(C)[C@H]1C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000449505966 1028727193 /nfs/dbraw/zinc/72/71/93/1028727193.db2.gz ZUDPPBPWCVCWRY-FXAWDEMLSA-N 1 3 322.537 3.824 20 0 DHADHO Fc1ccc([C@@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000566683499 1028763925 /nfs/dbraw/zinc/76/39/25/1028763925.db2.gz KUZGXBXVRDDDHB-FQEVSTJZSA-N 1 3 310.416 3.809 20 0 DHADHO CC1(C)SC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000566986512 1028815619 /nfs/dbraw/zinc/81/56/19/1028815619.db2.gz GECJQLSTVXAUCK-MHORFTMASA-N 1 3 316.514 3.666 20 0 DHADHO CC1(C)SC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000566986512 1028815630 /nfs/dbraw/zinc/81/56/30/1028815630.db2.gz GECJQLSTVXAUCK-MHORFTMASA-N 1 3 316.514 3.666 20 0 DHADHO c1cc2cc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2[nH]1 ZINC000628190980 1028930320 /nfs/dbraw/zinc/93/03/20/1028930320.db2.gz WJEOUWJSNNAALO-YLJYHZDGSA-N 1 3 309.457 3.617 20 0 DHADHO c1cc2cc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2[nH]1 ZINC000628190980 1028930338 /nfs/dbraw/zinc/93/03/38/1028930338.db2.gz WJEOUWJSNNAALO-YLJYHZDGSA-N 1 3 309.457 3.617 20 0 DHADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cccc(OC(F)F)c1 ZINC000567899547 1028968383 /nfs/dbraw/zinc/96/83/83/1028968383.db2.gz DLMJKWNWGULXIJ-GFCCVEGCSA-N 1 3 306.356 3.598 20 0 DHADHO CC(C)N(Cc1cccs1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688025008 1028985111 /nfs/dbraw/zinc/98/51/11/1028985111.db2.gz MGTVXLPEABSEMV-UHFFFAOYSA-N 1 3 306.500 3.866 20 0 DHADHO Cc1nc2c(s1)CCC[C@@H]2C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000373540694 1029075558 /nfs/dbraw/zinc/07/55/58/1029075558.db2.gz ZQSJKMYJAWOUQA-CQSZACIVSA-N 1 3 321.534 3.724 20 0 DHADHO Cc1nc2c(s1)CCC[C@@H]2CNC1CC[NH+](C(C)(C)C)CC1 ZINC000373540694 1029075575 /nfs/dbraw/zinc/07/55/75/1029075575.db2.gz ZQSJKMYJAWOUQA-CQSZACIVSA-N 1 3 321.534 3.724 20 0 DHADHO CCCN1CCC([N@H+](C)Cc2cnc3ccc(C)cc3c2)CC1 ZINC000411310495 1029100522 /nfs/dbraw/zinc/10/05/22/1029100522.db2.gz UPLYFSRDZNYGMF-UHFFFAOYSA-N 1 3 311.473 3.849 20 0 DHADHO CCCN1CCC([N@@H+](C)Cc2cnc3ccc(C)cc3c2)CC1 ZINC000411310495 1029100524 /nfs/dbraw/zinc/10/05/24/1029100524.db2.gz UPLYFSRDZNYGMF-UHFFFAOYSA-N 1 3 311.473 3.849 20 0 DHADHO Fc1ccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000373840978 1029149038 /nfs/dbraw/zinc/14/90/38/1029149038.db2.gz ICSVSUHULFAIKF-BHDPWAOGSA-N 1 3 322.855 3.942 20 0 DHADHO Fc1ccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000373840978 1029149043 /nfs/dbraw/zinc/14/90/43/1029149043.db2.gz ICSVSUHULFAIKF-BHDPWAOGSA-N 1 3 322.855 3.942 20 0 DHADHO FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCNC1 ZINC000817941886 1029282217 /nfs/dbraw/zinc/28/22/17/1029282217.db2.gz SUDVQIVYRPFSOC-SWLSCSKDSA-N 1 3 312.429 3.720 20 0 DHADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(CC[NH3+])cc1)CCCO2 ZINC000817948856 1029291951 /nfs/dbraw/zinc/29/19/51/1029291951.db2.gz LUWVREZGKDIBAQ-FQEVSTJZSA-N 1 3 324.468 3.808 20 0 DHADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(SC(F)F)cc1 ZINC000817970339 1029310240 /nfs/dbraw/zinc/31/02/40/1029310240.db2.gz ROKRABDXPFEAIK-UHTWSYAYSA-N 1 3 300.418 3.922 20 0 DHADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817979511 1029316014 /nfs/dbraw/zinc/31/60/14/1029316014.db2.gz LCJZWISKDIYOAA-RISCZKNCSA-N 1 3 300.418 3.706 20 0 DHADHO C[C@H](NCCOCCC[NH3+])c1cc2c(ccc3ccccc23)o1 ZINC000629541250 1029360470 /nfs/dbraw/zinc/36/04/70/1029360470.db2.gz YPEHQGUDTNYLNP-AWEZNQCLSA-N 1 3 312.413 3.602 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000629546065 1029365826 /nfs/dbraw/zinc/36/58/26/1029365826.db2.gz FRKBSBPJKQKTJZ-LYOVBCGYSA-N 1 3 305.853 3.914 20 0 DHADHO FC(F)(F)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000629551600 1029367767 /nfs/dbraw/zinc/36/77/67/1029367767.db2.gz WERNXZJYPSTNFJ-HZSPNIEDSA-N 1 3 304.400 3.619 20 0 DHADHO [NH3+]C[C@@H]1CN(CCC2CCCCCC2)CC[C@H]1C(F)(F)F ZINC000629561045 1029372795 /nfs/dbraw/zinc/37/27/95/1029372795.db2.gz GMTNMNFFDZOFOV-HUUCEWRRSA-N 1 3 306.416 3.806 20 0 DHADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc3ccccc3s2)C1 ZINC000571007100 1029443360 /nfs/dbraw/zinc/44/33/60/1029443360.db2.gz XRSPBWOECBODSW-RDJZCZTQSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc3ccccc3s2)C1 ZINC000571007100 1029443364 /nfs/dbraw/zinc/44/33/64/1029443364.db2.gz XRSPBWOECBODSW-RDJZCZTQSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccccc3s2)C1 ZINC000571007100 1029443370 /nfs/dbraw/zinc/44/33/70/1029443370.db2.gz XRSPBWOECBODSW-RDJZCZTQSA-N 1 3 300.471 3.817 20 0 DHADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc3ccccc3s2)C1 ZINC000571007100 1029443379 /nfs/dbraw/zinc/44/33/79/1029443379.db2.gz XRSPBWOECBODSW-RDJZCZTQSA-N 1 3 300.471 3.817 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170955056 1029785728 /nfs/dbraw/zinc/78/57/28/1029785728.db2.gz DCGFWKIOZRCXDE-NVXWUHKLSA-N 1 3 304.453 3.537 20 0 DHADHO CCCOc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000530495329 1029864072 /nfs/dbraw/zinc/86/40/72/1029864072.db2.gz ZDRLBMDQJTYQCO-UHFFFAOYSA-N 1 3 302.462 3.536 20 0 DHADHO CCCOc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000530495329 1029864079 /nfs/dbraw/zinc/86/40/79/1029864079.db2.gz ZDRLBMDQJTYQCO-UHFFFAOYSA-N 1 3 302.462 3.536 20 0 DHADHO CC[NH+]1CCC(N[C@@H](C)c2cc3ccccc3c(OC)c2)CC1 ZINC000924569475 1030125024 /nfs/dbraw/zinc/12/50/24/1030125024.db2.gz HXCWIPMXGOANIZ-HNNXBMFYSA-N 1 3 312.457 3.983 20 0 DHADHO C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000822841713 1030142406 /nfs/dbraw/zinc/14/24/06/1030142406.db2.gz OLDCKUVQJILQLS-MELADBBJSA-N 1 3 319.320 3.813 20 0 DHADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cc2c(ccnc2Cl)o1 ZINC000866213769 1030164187 /nfs/dbraw/zinc/16/41/87/1030164187.db2.gz YATGEDGPYGLREA-NSHDSACASA-N 1 3 309.841 3.720 20 0 DHADHO C[C@@H](O)c1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924760338 1030179145 /nfs/dbraw/zinc/17/91/45/1030179145.db2.gz BDELPKNMHFVQOD-HZPDHXFCSA-N 1 3 312.457 3.652 20 0 DHADHO C[C@H](CCc1cccnc1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000866338255 1030239994 /nfs/dbraw/zinc/23/99/94/1030239994.db2.gz YYRQUGNIYYXAJV-ZIFCJYIRSA-N 1 3 315.505 3.645 20 0 DHADHO C[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1(Cl)CC1 ZINC000925080485 1030265905 /nfs/dbraw/zinc/26/59/05/1030265905.db2.gz UVTBKLGLSRTVGZ-GJZGRUSLSA-N 1 3 306.881 3.962 20 0 DHADHO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](C)C2(Cl)CC2)CC1 ZINC000925080484 1030267421 /nfs/dbraw/zinc/26/74/21/1030267421.db2.gz UVTBKLGLSRTVGZ-CABCVRRESA-N 1 3 306.881 3.962 20 0 DHADHO CSc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000358037586 1030291732 /nfs/dbraw/zinc/29/17/32/1030291732.db2.gz RFZJKSCXQQDSCN-CRAIPNDOSA-N 1 3 316.514 3.857 20 0 DHADHO CSc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000358037586 1030291744 /nfs/dbraw/zinc/29/17/44/1030291744.db2.gz RFZJKSCXQQDSCN-CRAIPNDOSA-N 1 3 316.514 3.857 20 0 DHADHO COCCSc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000358110679 1030332125 /nfs/dbraw/zinc/33/21/25/1030332125.db2.gz MYNHKEDTTUWCPG-HLLBOEOZSA-N 1 3 322.518 3.558 20 0 DHADHO COCCSc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000358110679 1030332138 /nfs/dbraw/zinc/33/21/38/1030332138.db2.gz MYNHKEDTTUWCPG-HLLBOEOZSA-N 1 3 322.518 3.558 20 0 DHADHO CC(C)CCN1CCC([NH2+][C@H](C)C[C@H](O)c2cccs2)CC1 ZINC000925290806 1030335025 /nfs/dbraw/zinc/33/50/25/1030335025.db2.gz DSQHRISPSUZRAH-WBVHZDCISA-N 1 3 324.534 3.660 20 0 DHADHO CC(C)CC[NH+]1CCC(N[C@H](C)C[C@H](O)c2cccs2)CC1 ZINC000925290806 1030335041 /nfs/dbraw/zinc/33/50/41/1030335041.db2.gz DSQHRISPSUZRAH-WBVHZDCISA-N 1 3 324.534 3.660 20 0 DHADHO CC(C)c1nc(CCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cs1 ZINC000925564239 1030403948 /nfs/dbraw/zinc/40/39/48/1030403948.db2.gz HXBFATOVGALVTA-DLBZAZTESA-N 1 3 321.534 3.567 20 0 DHADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3ccc(Cl)cc3)C1)[NH2+]2 ZINC000925653915 1030439808 /nfs/dbraw/zinc/43/98/08/1030439808.db2.gz CBLHFKLCMJJWBL-SBLOQVJPSA-N 1 3 304.865 3.705 20 0 DHADHO C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925733142 1030470064 /nfs/dbraw/zinc/47/00/64/1030470064.db2.gz SXHGGXMRUSEILX-CYZMBNFOSA-N 1 3 315.383 3.657 20 0 DHADHO FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925737610 1030472507 /nfs/dbraw/zinc/47/25/07/1030472507.db2.gz RXDDRNRBCFFMOJ-BZUAXINKSA-N 1 3 300.437 3.570 20 0 DHADHO Cc1cc([C@@H](C)NCCC(C)(C)[NH3+])sc1Br ZINC000925736599 1030472561 /nfs/dbraw/zinc/47/25/61/1030472561.db2.gz BYKPVFBQRNLDFX-SECBINFHSA-N 1 3 305.285 3.597 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Cl)cc1 ZINC000925778759 1030492983 /nfs/dbraw/zinc/49/29/83/1030492983.db2.gz KUNAJXUCIJFTSH-OCCSQVGLSA-N 1 3 302.796 3.626 20 0 DHADHO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925777474 1030493129 /nfs/dbraw/zinc/49/31/29/1030493129.db2.gz DYTGQCAIEWWWAC-RHSMWYFYSA-N 1 3 310.432 3.781 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(C(F)(F)F)cc1 ZINC000925781148 1030495699 /nfs/dbraw/zinc/49/56/99/1030495699.db2.gz XBYPQUQGCJPOML-ZWNOBZJWSA-N 1 3 322.321 3.601 20 0 DHADHO CC(C)[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccccc1Cl ZINC000925781667 1030496022 /nfs/dbraw/zinc/49/60/22/1030496022.db2.gz JGYNMQQRGHVDFW-SWLSCSKDSA-N 1 3 316.823 3.872 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCCc2ccc3ncccc3c2)c2ccccc21 ZINC000925814688 1030506062 /nfs/dbraw/zinc/50/60/62/1030506062.db2.gz OJZFTBJOKACNFO-AZUAARDMSA-N 1 3 303.409 3.512 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CCCCN1 ZINC000925837540 1030513804 /nfs/dbraw/zinc/51/38/04/1030513804.db2.gz GUOONESCKHBYCL-WCXIOVBPSA-N 1 3 308.416 3.546 20 0 DHADHO C[C@@H](Cc1ccncc1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000358670181 1030582274 /nfs/dbraw/zinc/58/22/74/1030582274.db2.gz VKYTXZDFRHJDML-FUHIMQAGSA-N 1 3 315.505 3.645 20 0 DHADHO Cn1cccc1CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000161850553 1030951300 /nfs/dbraw/zinc/95/13/00/1030951300.db2.gz YSRGQZGQPLIQBO-UHFFFAOYSA-N 1 3 311.473 3.691 20 0 DHADHO C[C@H](c1ccccn1)N(C)C/C=C\CN(C)[C@H](C)c1ccccn1 ZINC000255282545 1030987361 /nfs/dbraw/zinc/98/73/61/1030987361.db2.gz OZOWJCZUYZHANI-ZWHYWQQASA-N 1 3 324.472 3.719 20 0 DHADHO C[C@H](c1ccccn1)N(C)C/C=C\C[N@H+](C)[C@H](C)c1ccccn1 ZINC000255282545 1030987376 /nfs/dbraw/zinc/98/73/76/1030987376.db2.gz OZOWJCZUYZHANI-ZWHYWQQASA-N 1 3 324.472 3.719 20 0 DHADHO C[C@H](c1ccccn1)N(C)C/C=C\C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000255282545 1030987386 /nfs/dbraw/zinc/98/73/86/1030987386.db2.gz OZOWJCZUYZHANI-ZWHYWQQASA-N 1 3 324.472 3.719 20 0 DHADHO Cc1c[nH+]ccc1NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000359562720 1031033545 /nfs/dbraw/zinc/03/35/45/1031033545.db2.gz GYVPDMYFESOJJS-INIZCTEOSA-N 1 3 323.362 3.546 20 0 DHADHO C[C@H]1C[C@H](N(C)Cc2cccc(N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000261644671 1031042548 /nfs/dbraw/zinc/04/25/48/1031042548.db2.gz GXIUPDDMDSIJIL-LAUBAEHRSA-N 1 3 323.484 3.754 20 0 DHADHO C[C@H]1C[C@H](N(C)Cc2cccc(N)c2)CC[N@H+]1Cc1ccccc1 ZINC000261644671 1031042563 /nfs/dbraw/zinc/04/25/63/1031042563.db2.gz GXIUPDDMDSIJIL-LAUBAEHRSA-N 1 3 323.484 3.754 20 0 DHADHO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000359593522 1031049983 /nfs/dbraw/zinc/04/99/83/1031049983.db2.gz RZTAEHGCRQGBNS-OXJNMPFZSA-N 1 3 309.457 3.884 20 0 DHADHO CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000359593522 1031049994 /nfs/dbraw/zinc/04/99/94/1031049994.db2.gz RZTAEHGCRQGBNS-OXJNMPFZSA-N 1 3 309.457 3.884 20 0 DHADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCN1CCCCC1 ZINC000359617630 1031063943 /nfs/dbraw/zinc/06/39/43/1031063943.db2.gz DKBZQKRCCIBSCC-GOSISDBHSA-N 1 3 302.462 3.674 20 0 DHADHO Fc1ccc(CC[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC000262017284 1031087189 /nfs/dbraw/zinc/08/71/89/1031087189.db2.gz VTOUSNLHPWQIRQ-KRWDZBQOSA-N 1 3 304.453 3.612 20 0 DHADHO Fc1ccc(CC[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC000262017284 1031087204 /nfs/dbraw/zinc/08/72/04/1031087204.db2.gz VTOUSNLHPWQIRQ-KRWDZBQOSA-N 1 3 304.453 3.612 20 0 DHADHO Cc1c(O)cccc1C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001144118467 1031256375 /nfs/dbraw/zinc/25/63/75/1031256375.db2.gz XHNMFSVPQZADTD-IBGZPJMESA-N 1 3 324.468 3.655 20 0 DHADHO Cc1c(O)cccc1C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001144118467 1031256388 /nfs/dbraw/zinc/25/63/88/1031256388.db2.gz XHNMFSVPQZADTD-IBGZPJMESA-N 1 3 324.468 3.655 20 0 DHADHO Fc1ccc(-c2ccc(CN[C@H]3CCC[NH2+]CC3)s2)cc1 ZINC000666855186 1031419539 /nfs/dbraw/zinc/41/95/39/1031419539.db2.gz CSXZACBBZSNNIH-HNNXBMFYSA-N 1 3 304.434 3.786 20 0 DHADHO CC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000872040744 1031425213 /nfs/dbraw/zinc/42/52/13/1031425213.db2.gz MVYUBCGQJFSSPJ-VQIMIIECSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)CN1CCCCC1 ZINC000360837784 1031581041 /nfs/dbraw/zinc/58/10/41/1031581041.db2.gz RITFCNRBCDLMSR-VQIMIIECSA-N 1 3 301.478 3.634 20 0 DHADHO C[C@@H](CCc1ccsc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000360956688 1031643099 /nfs/dbraw/zinc/64/30/99/1031643099.db2.gz VYZWBJVEXZPSCV-YESZJQIVSA-N 1 3 324.534 3.548 20 0 DHADHO CC[C@@H](NC1CC[NH+](C(C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000772947467 1032036715 /nfs/dbraw/zinc/03/67/15/1032036715.db2.gz APQIKNZLJWNIBH-LJQANCHMSA-N 1 3 316.489 3.925 20 0 DHADHO Cc1ccc(C2CC([NH2+]CC(C)(C)CN3CCCC3)C2)cc1 ZINC000477916910 1033373727 /nfs/dbraw/zinc/37/37/27/1033373727.db2.gz FZBVEMIJRXTVRF-UHFFFAOYSA-N 1 3 300.490 3.953 20 0 DHADHO CC[NH+](CC)CCCN[C@H](C)Cc1c(F)cccc1Cl ZINC001172838454 1033406469 /nfs/dbraw/zinc/40/64/69/1033406469.db2.gz LBCXNUROXXXUNK-CYBMUJFWSA-N 1 3 300.849 3.732 20 0 DHADHO C[C@H](CSc1ccc(Cl)cc1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001172884266 1033457653 /nfs/dbraw/zinc/45/76/53/1033457653.db2.gz ZZNNJZUTQBVCKF-CQSZACIVSA-N 1 3 324.921 3.848 20 0 DHADHO Cc1csc2sc(CN3CC[C@@H]([NH3+])[C@H](F)CC3)c(C)c12 ZINC001206185009 1033485871 /nfs/dbraw/zinc/48/58/71/1033485871.db2.gz KKWCLVDCJAQGAE-VXGBXAGGSA-N 1 3 312.479 3.841 20 0 DHADHO CO[C@@H]1CCC[C@H]([N@H+](C)C2CCN(C3CCCCC3)CC2)C1 ZINC001172953410 1033494772 /nfs/dbraw/zinc/49/47/72/1033494772.db2.gz OVLCOBOXQKFBDX-RBUKOAKNSA-N 1 3 308.510 3.673 20 0 DHADHO CO[C@@H]1CCC[C@H]([N@@H+](C)C2CCN(C3CCCCC3)CC2)C1 ZINC001172953410 1033494779 /nfs/dbraw/zinc/49/47/79/1033494779.db2.gz OVLCOBOXQKFBDX-RBUKOAKNSA-N 1 3 308.510 3.673 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CC[C@@H](c3ccccc3)O2)[C@@H](C)C1 ZINC000878258902 1033638579 /nfs/dbraw/zinc/63/85/79/1033638579.db2.gz WYBMLRBTBJIBIX-LEAZDLGRSA-N 1 3 316.489 3.569 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CC[C@@H](c3ccccc3)O2)[C@@H](C)C1 ZINC000878258902 1033638589 /nfs/dbraw/zinc/63/85/89/1033638589.db2.gz WYBMLRBTBJIBIX-LEAZDLGRSA-N 1 3 316.489 3.569 20 0 DHADHO CC[C@H]1CC[C@H](N2CCC([NH3+])(c3cccc(OC)c3)CC2)C1 ZINC001173272252 1033643398 /nfs/dbraw/zinc/64/33/98/1033643398.db2.gz UJXZLWNSPVYCLB-RDJZCZTQSA-N 1 3 302.462 3.524 20 0 DHADHO Clc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC3CC3)CC1)CC2 ZINC000479119661 1033667164 /nfs/dbraw/zinc/66/71/64/1033667164.db2.gz GXICPLXWXHNPOF-SFHVURJKSA-N 1 3 304.865 3.791 20 0 DHADHO c1coc(CN(Cc2ccnn2-c2cc[nH+]cc2)C2CCCC2)c1 ZINC000667500703 1033783733 /nfs/dbraw/zinc/78/37/33/1033783733.db2.gz YPFUMATZCHKGJI-UHFFFAOYSA-N 1 3 322.412 3.805 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000174628254 1033946023 /nfs/dbraw/zinc/94/60/23/1033946023.db2.gz LEGRLERNIHGYDP-IUODEOHRSA-N 1 3 300.368 3.525 20 0 DHADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000554074529 1033951438 /nfs/dbraw/zinc/95/14/38/1033951438.db2.gz ZBBHQRIZJBNCOR-XUVXKRRUSA-N 1 3 314.517 3.965 20 0 DHADHO CC(C)N(C)CC(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C ZINC001142590589 1034227529 /nfs/dbraw/zinc/22/75/29/1034227529.db2.gz HKDDNSATUNEMBA-UHFFFAOYSA-N 1 3 316.470 3.912 20 0 DHADHO COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000249596649 1034249731 /nfs/dbraw/zinc/24/97/31/1034249731.db2.gz PVWWKTHTTXDLDY-DAYGRLMNSA-N 1 3 302.462 3.535 20 0 DHADHO COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000249596650 1034249914 /nfs/dbraw/zinc/24/99/14/1034249914.db2.gz PVWWKTHTTXDLDY-MPGHIAIKSA-N 1 3 302.462 3.535 20 0 DHADHO C[NH+](C)Cc1ccc(NC2=CCCN(Cc3ccccc3)C2)cc1 ZINC001174396156 1034322348 /nfs/dbraw/zinc/32/23/48/1034322348.db2.gz DXAOECQFDYCLLA-UHFFFAOYSA-N 1 3 321.468 3.950 20 0 DHADHO COC1(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCCCC1 ZINC000480679186 1034397270 /nfs/dbraw/zinc/39/72/70/1034397270.db2.gz JFSKJVNIHLWCEX-IEBWSBKVSA-N 1 3 322.537 3.968 20 0 DHADHO Fc1cccc(CC2(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000480753197 1034431831 /nfs/dbraw/zinc/43/18/31/1034431831.db2.gz ATWDTINXWLAGLJ-ROUUACIJSA-N 1 3 302.437 3.507 20 0 DHADHO Fc1cccc(CC2(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000480753197 1034431835 /nfs/dbraw/zinc/43/18/35/1034431835.db2.gz ATWDTINXWLAGLJ-ROUUACIJSA-N 1 3 302.437 3.507 20 0 DHADHO Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000184341705 1034464584 /nfs/dbraw/zinc/46/45/84/1034464584.db2.gz QWSOOHTVLBKQGO-QUCCMNQESA-N 1 3 323.484 3.605 20 0 DHADHO CC(C)(C)C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(Cl)cc1 ZINC000629523525 1034485286 /nfs/dbraw/zinc/48/52/86/1034485286.db2.gz HZCQTJRCNGAWQK-MRXNPFEDSA-N 1 3 324.896 3.915 20 0 DHADHO c1ccc(CCCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000480879248 1034492037 /nfs/dbraw/zinc/49/20/37/1034492037.db2.gz KYKBTMPITRDPFI-FPOVZHCZSA-N 1 3 312.501 3.958 20 0 DHADHO c1ccc(CCCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000480879248 1034492045 /nfs/dbraw/zinc/49/20/45/1034492045.db2.gz KYKBTMPITRDPFI-FPOVZHCZSA-N 1 3 312.501 3.958 20 0 DHADHO CCc1nc2c(s1)[C@H]([NH2+]C[C@H](C)CN1CCCCC1)CCC2 ZINC000480913945 1034504753 /nfs/dbraw/zinc/50/47/53/1034504753.db2.gz YBVMHRZVWNUFSJ-LSDHHAIUSA-N 1 3 321.534 3.795 20 0 DHADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186846608 1034667670 /nfs/dbraw/zinc/66/76/70/1034667670.db2.gz QDYNADIJCRNXBC-LUYZLQTOSA-N 1 3 314.395 3.651 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)C1 ZINC000481320356 1034742912 /nfs/dbraw/zinc/74/29/12/1034742912.db2.gz ZQNVSWHCBJBQNL-LSDHHAIUSA-N 1 3 316.445 3.742 20 0 DHADHO CC1([NH+]2CCCC2)CCN(CC2([C@H]3CCCCO3)CCC2)CC1 ZINC001175119297 1034824186 /nfs/dbraw/zinc/82/41/86/1034824186.db2.gz GEHOHONXXUXRIN-GOSISDBHSA-N 1 3 320.521 3.676 20 0 DHADHO Clc1cccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157563206 1034934537 /nfs/dbraw/zinc/93/45/37/1034934537.db2.gz DFSTWUDCDJORPA-XYQBIQKZSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1cccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157563206 1034934542 /nfs/dbraw/zinc/93/45/42/1034934542.db2.gz DFSTWUDCDJORPA-XYQBIQKZSA-N 1 3 304.865 3.802 20 0 DHADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000668172888 1035205708 /nfs/dbraw/zinc/20/57/08/1035205708.db2.gz VWBZBVHBSINZHV-VQIMIIECSA-N 1 3 304.478 3.556 20 0 DHADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000668172888 1035205709 /nfs/dbraw/zinc/20/57/09/1035205709.db2.gz VWBZBVHBSINZHV-VQIMIIECSA-N 1 3 304.478 3.556 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2sccc2C)[C@H](C)C1 ZINC000483135389 1035232469 /nfs/dbraw/zinc/23/24/69/1035232469.db2.gz OZFHCZVWYRTEMX-IKGGRYGDSA-N 1 3 324.534 3.844 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2sccc2C)[C@H](C)C1 ZINC000483135389 1035232473 /nfs/dbraw/zinc/23/24/73/1035232473.db2.gz OZFHCZVWYRTEMX-IKGGRYGDSA-N 1 3 324.534 3.844 20 0 DHADHO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c1 ZINC000483174232 1035235472 /nfs/dbraw/zinc/23/54/72/1035235472.db2.gz FIBPYKGCEQUUKV-RDTXWAMCSA-N 1 3 322.493 3.721 20 0 DHADHO COc1ccc([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c(OC)c1 ZINC000483209751 1035241630 /nfs/dbraw/zinc/24/16/30/1035241630.db2.gz ZNDDKECYEYIRES-RDTXWAMCSA-N 1 3 322.493 3.721 20 0 DHADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)C2CC2)cc1 ZINC000484478496 1035344478 /nfs/dbraw/zinc/34/44/78/1035344478.db2.gz CKMTZVICDTXMFI-ZCNNSNEGSA-N 1 3 300.490 3.779 20 0 DHADHO c1nc(C2CC2)c(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)s1 ZINC000904416561 1035411495 /nfs/dbraw/zinc/41/14/95/1035411495.db2.gz OOPFMJKYSCTNLS-AWEZNQCLSA-N 1 3 319.518 3.622 20 0 DHADHO COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195133307 1035415022 /nfs/dbraw/zinc/41/50/22/1035415022.db2.gz KARVXEXJAQGFDI-MJGOQNOKSA-N 1 3 324.468 3.868 20 0 DHADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c(F)c1 ZINC001179015993 1035461317 /nfs/dbraw/zinc/46/13/17/1035461317.db2.gz UNIITUBHFJCLGJ-MOPGFXCFSA-N 1 3 312.432 3.569 20 0 DHADHO Cc1ccc(CNC2CC[NH+](CCOC(C)C)CC2)cc1Cl ZINC000195445212 1035582795 /nfs/dbraw/zinc/58/27/95/1035582795.db2.gz NHEHCBSJHBNFJD-UHFFFAOYSA-N 1 3 324.896 3.627 20 0 DHADHO COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCCC1)CCS2 ZINC000191489342 1035695793 /nfs/dbraw/zinc/69/57/93/1035695793.db2.gz XTKXMQIKSWPNDO-QGZVFWFLSA-N 1 3 320.502 3.698 20 0 DHADHO COc1ccc([C@@H](C)CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000539406778 1035717891 /nfs/dbraw/zinc/71/78/91/1035717891.db2.gz DLDAEPASCPLYNS-FUHWJXTLSA-N 1 3 304.478 3.605 20 0 DHADHO COc1ccc([C@@H](C)CN(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000539406778 1035717910 /nfs/dbraw/zinc/71/79/10/1035717910.db2.gz DLDAEPASCPLYNS-FUHWJXTLSA-N 1 3 304.478 3.605 20 0 DHADHO C[C@H](CC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2)N1CCCCC1 ZINC001180811553 1035768374 /nfs/dbraw/zinc/76/83/74/1035768374.db2.gz SEGRRZXUKHSCFO-KURKYZTESA-N 1 3 322.537 3.967 20 0 DHADHO C[C@@H](Cc1ccccc1Cl)[NH2+]CC(C)(C)CN1CCCC1 ZINC001181428119 1035907499 /nfs/dbraw/zinc/90/74/99/1035907499.db2.gz RXNWHYZQKVUAJH-HNNXBMFYSA-N 1 3 308.897 3.983 20 0 DHADHO CCOc1c(Cl)cccc1CN(C)CC1CC[NH+](C)CC1 ZINC000494973331 1036155513 /nfs/dbraw/zinc/15/55/13/1036155513.db2.gz HQORVRXGDHXJEB-UHFFFAOYSA-N 1 3 310.869 3.512 20 0 DHADHO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000541588174 1036379718 /nfs/dbraw/zinc/37/97/18/1036379718.db2.gz UTGKZFYUCSKXOO-UYAOXDASSA-N 1 3 300.490 3.673 20 0 DHADHO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000541588174 1036379740 /nfs/dbraw/zinc/37/97/40/1036379740.db2.gz UTGKZFYUCSKXOO-UYAOXDASSA-N 1 3 300.490 3.673 20 0 DHADHO CCC1([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000541908957 1036458122 /nfs/dbraw/zinc/45/81/22/1036458122.db2.gz YCOSPXZXGMVZPS-FUHWJXTLSA-N 1 3 308.510 3.578 20 0 DHADHO CCC1([NH+](C)C)CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC001183197385 1036540570 /nfs/dbraw/zinc/54/05/70/1036540570.db2.gz SWGHZUHCJQHJHR-QGZVFWFLSA-N 1 3 300.490 3.598 20 0 DHADHO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2F)s1)CN(C)C ZINC000491549040 1036601589 /nfs/dbraw/zinc/60/15/89/1036601589.db2.gz UOQYNUDOANMUEP-ZDUSSCGKSA-N 1 3 306.450 3.842 20 0 DHADHO C/C(=C/c1cccc(C(F)(F)F)c1)CNC[C@@H](C)C[NH+](C)C ZINC000491545831 1036601822 /nfs/dbraw/zinc/60/18/22/1036601822.db2.gz LEEQVRCJCARQKK-YLHGKKIISA-N 1 3 314.395 3.896 20 0 DHADHO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](C)CN(C)C ZINC000491545831 1036601839 /nfs/dbraw/zinc/60/18/39/1036601839.db2.gz LEEQVRCJCARQKK-YLHGKKIISA-N 1 3 314.395 3.896 20 0 DHADHO C/C(=C\c1ccccc1C(F)(F)F)CNC[C@@H](C)C[NH+](C)C ZINC000491598259 1036611931 /nfs/dbraw/zinc/61/19/31/1036611931.db2.gz DVPAGCKSBDSPQQ-KADHNRKRSA-N 1 3 314.395 3.896 20 0 DHADHO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](C)CN(C)C ZINC000491598259 1036611937 /nfs/dbraw/zinc/61/19/37/1036611937.db2.gz DVPAGCKSBDSPQQ-KADHNRKRSA-N 1 3 314.395 3.896 20 0 DHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC/C=C/c1ccncc1 ZINC000487308223 1036650750 /nfs/dbraw/zinc/65/07/50/1036650750.db2.gz LAMBBPARSKLPKS-HGGRVWGASA-N 1 3 321.468 3.595 20 0 DHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC/C=C/c1ccncc1 ZINC000487308223 1036650765 /nfs/dbraw/zinc/65/07/65/1036650765.db2.gz LAMBBPARSKLPKS-HGGRVWGASA-N 1 3 321.468 3.595 20 0 DHADHO C[C@@H]1C[C@@H](NC/C=C\c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000487304913 1036657028 /nfs/dbraw/zinc/65/70/28/1036657028.db2.gz BCYDOAXNNSYKDX-CDKMSYNUSA-N 1 3 321.468 3.738 20 0 DHADHO C[C@@H]1C[C@@H](NC/C=C\c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000487304913 1036657043 /nfs/dbraw/zinc/65/70/43/1036657043.db2.gz BCYDOAXNNSYKDX-CDKMSYNUSA-N 1 3 321.468 3.738 20 0 DHADHO CC(C)CCN1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC001184136066 1036749270 /nfs/dbraw/zinc/74/92/70/1036749270.db2.gz ZMDRSUZHFCTWOA-LJQANCHMSA-N 1 3 304.453 3.913 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3ccc(F)cc3[nH]2)C[C@H]1C ZINC000488304579 1036958103 /nfs/dbraw/zinc/95/81/03/1036958103.db2.gz WQYMFWHAXUADHG-CXAGYDPISA-N 1 3 303.425 3.612 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)C[C@H]1C ZINC000488304579 1036958120 /nfs/dbraw/zinc/95/81/20/1036958120.db2.gz WQYMFWHAXUADHG-CXAGYDPISA-N 1 3 303.425 3.612 20 0 DHADHO CC1CCN(CCC[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000236844782 1036984586 /nfs/dbraw/zinc/98/45/86/1036984586.db2.gz MCGKSJGROTXSTB-UHFFFAOYSA-N 1 3 304.453 3.783 20 0 DHADHO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CS1 ZINC000488428732 1037016000 /nfs/dbraw/zinc/01/60/00/1037016000.db2.gz DLBRGXJJEBMTLQ-MSOLQXFVSA-N 1 3 310.551 3.761 20 0 DHADHO CC(C)[C@@H]1C[C@@H](NC2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000488428732 1037016017 /nfs/dbraw/zinc/01/60/17/1037016017.db2.gz DLBRGXJJEBMTLQ-MSOLQXFVSA-N 1 3 310.551 3.761 20 0 DHADHO Cc1ccc(C)c(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309651722 1037168335 /nfs/dbraw/zinc/16/83/35/1037168335.db2.gz GXMGKXHPZJIHGB-FQEVSTJZSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1ccc(C)c(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309651722 1037168343 /nfs/dbraw/zinc/16/83/43/1037168343.db2.gz GXMGKXHPZJIHGB-FQEVSTJZSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000309786042 1037179813 /nfs/dbraw/zinc/17/98/13/1037179813.db2.gz MXFVISSASPJUEK-NQIIRXRSSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1cccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309786042 1037179821 /nfs/dbraw/zinc/17/98/21/1037179821.db2.gz MXFVISSASPJUEK-NQIIRXRSSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1cccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309786042 1037179830 /nfs/dbraw/zinc/17/98/30/1037179830.db2.gz MXFVISSASPJUEK-NQIIRXRSSA-N 1 3 308.469 3.995 20 0 DHADHO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000310292521 1037226000 /nfs/dbraw/zinc/22/60/00/1037226000.db2.gz ZOEKFGVOVCHCGD-PXNSSMCTSA-N 1 3 324.468 3.695 20 0 DHADHO COc1ccc2cc([C@H](C)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2c1 ZINC000322927522 1037257467 /nfs/dbraw/zinc/25/74/67/1037257467.db2.gz NMCRZXMGRGRSFP-YZVOILCLSA-N 1 3 312.457 3.982 20 0 DHADHO COc1ccc2cc([C@H](C)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2c1 ZINC000322927522 1037257485 /nfs/dbraw/zinc/25/74/85/1037257485.db2.gz NMCRZXMGRGRSFP-YZVOILCLSA-N 1 3 312.457 3.982 20 0 DHADHO C[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C(C)(C)C ZINC000670266916 1037488243 /nfs/dbraw/zinc/48/82/43/1037488243.db2.gz HDTNDRPNXRTNLB-IEBWSBKVSA-N 1 3 302.506 3.823 20 0 DHADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000493945418 1037604097 /nfs/dbraw/zinc/60/40/97/1037604097.db2.gz QYLABNCHMNPCMG-LNLFQRSKSA-N 1 3 304.478 3.617 20 0 DHADHO C[NH+](C)CCCCN[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000924856256 1037797298 /nfs/dbraw/zinc/79/72/98/1037797298.db2.gz VSFLSVBLOSPXME-SFHVURJKSA-N 1 3 317.864 3.756 20 0 DHADHO CC[C@@H](NCCOCC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000219307794 1037832737 /nfs/dbraw/zinc/83/27/37/1037832737.db2.gz CBMSZBZDPAZUML-OAHLLOKOSA-N 1 3 319.276 3.612 20 0 DHADHO CSCCCN1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001201695759 1037842533 /nfs/dbraw/zinc/84/25/33/1037842533.db2.gz DJIRPKFUVPVAEX-LJQANCHMSA-N 1 3 318.530 3.728 20 0 DHADHO CSCCCN1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001201695759 1037842553 /nfs/dbraw/zinc/84/25/53/1037842553.db2.gz DJIRPKFUVPVAEX-LJQANCHMSA-N 1 3 318.530 3.728 20 0 DHADHO CC1(C)CCC(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629563400 1037946826 /nfs/dbraw/zinc/94/68/26/1037946826.db2.gz PLXFDZMGSMVBIG-ZIAGYGMSSA-N 1 3 306.416 3.662 20 0 DHADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CCSCC1 ZINC000187114058 1037948090 /nfs/dbraw/zinc/94/80/90/1037948090.db2.gz IFEVVXVUFGGBSO-OAHLLOKOSA-N 1 3 310.551 3.762 20 0 DHADHO c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000570926724 1038052218 /nfs/dbraw/zinc/05/22/18/1038052218.db2.gz HJVBUGCNWKXYIP-FQEVSTJZSA-N 1 3 306.453 3.973 20 0 DHADHO c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000570926724 1038052239 /nfs/dbraw/zinc/05/22/39/1038052239.db2.gz HJVBUGCNWKXYIP-FQEVSTJZSA-N 1 3 306.453 3.973 20 0 DHADHO Cc1nc2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2s1 ZINC000494367076 1038063339 /nfs/dbraw/zinc/06/33/39/1038063339.db2.gz JSWVEWOMZPMLGQ-UHFFFAOYSA-N 1 3 315.486 3.569 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCSC)ccc1OC ZINC000775364904 1038274489 /nfs/dbraw/zinc/27/44/89/1038274489.db2.gz MVFCFTJHNOGVEQ-CQSZACIVSA-N 1 3 310.507 3.551 20 0 DHADHO COc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000572047915 1038322293 /nfs/dbraw/zinc/32/22/93/1038322293.db2.gz ZYJCWBZDGCNJIY-OAHLLOKOSA-N 1 3 322.880 3.512 20 0 DHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC000572205351 1038352495 /nfs/dbraw/zinc/35/24/95/1038352495.db2.gz FDZUUCJCROIIRQ-BRWVUGGUSA-N 1 3 304.478 3.507 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCSC2)ccc1OC ZINC000775412980 1038383506 /nfs/dbraw/zinc/38/35/06/1038383506.db2.gz SXLUNXVYBFTEOM-PBHICJAKSA-N 1 3 322.518 3.693 20 0 DHADHO C[C@H]1SCCN(Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C ZINC001191022160 1038421995 /nfs/dbraw/zinc/42/19/95/1038421995.db2.gz PWSPZKKPZHUYHS-DLBZAZTESA-N 1 3 318.530 3.998 20 0 DHADHO CC(C)[N@H+](C)CC1CCN(CCSc2ccccc2F)CC1 ZINC000590786712 1038705381 /nfs/dbraw/zinc/70/53/81/1038705381.db2.gz KFINJCONDDQCOB-UHFFFAOYSA-N 1 3 324.509 3.970 20 0 DHADHO CC(C)[N@@H+](C)CC1CCN(CCSc2ccccc2F)CC1 ZINC000590786712 1038705389 /nfs/dbraw/zinc/70/53/89/1038705389.db2.gz KFINJCONDDQCOB-UHFFFAOYSA-N 1 3 324.509 3.970 20 0 DHADHO CCC(CC)N1CCC([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168413797 1038859264 /nfs/dbraw/zinc/85/92/64/1038859264.db2.gz AUEFSJHRWUPXFY-IBGZPJMESA-N 1 3 318.480 3.926 20 0 DHADHO COc1cccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1F ZINC000669679780 1038970061 /nfs/dbraw/zinc/97/00/61/1038970061.db2.gz PMYUDDQSFPJGMO-HOTGVXAUSA-N 1 3 322.468 3.682 20 0 DHADHO C[C@@H](CNc1ccnc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000599457123 1039160969 /nfs/dbraw/zinc/16/09/69/1039160969.db2.gz OALGUWTZXUIUIM-AWEZNQCLSA-N 1 3 323.465 3.577 20 0 DHADHO C[C@@H](CNc1ccnc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000599457123 1039160973 /nfs/dbraw/zinc/16/09/73/1039160973.db2.gz OALGUWTZXUIUIM-AWEZNQCLSA-N 1 3 323.465 3.577 20 0 DHADHO CC(C)(C)[C@@H](NC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000592495862 1039215135 /nfs/dbraw/zinc/21/51/35/1039215135.db2.gz SYWVERFSXQEZGS-DOMZBBRYSA-N 1 3 314.395 3.992 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168405667 1039913279 /nfs/dbraw/zinc/91/32/79/1039913279.db2.gz TVLAFNCIQNBBKV-HNAYVOBHSA-N 1 3 304.453 3.537 20 0 DHADHO Cc1ccc(CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000608578062 1040555615 /nfs/dbraw/zinc/55/56/15/1040555615.db2.gz LNDQMZAURQSGFB-QFIPXVFZSA-N 1 3 322.496 3.991 20 0 DHADHO Cc1ccc(CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000608578062 1040555635 /nfs/dbraw/zinc/55/56/35/1040555635.db2.gz LNDQMZAURQSGFB-QFIPXVFZSA-N 1 3 322.496 3.991 20 0 DHADHO c1ccc2c(c1)cccc2CN1CCN(c2cc[nH+]cc2)CC1 ZINC000601566064 1040692650 /nfs/dbraw/zinc/69/26/50/1040692650.db2.gz LBHWPZSXKXUWBM-UHFFFAOYSA-N 1 3 303.409 3.557 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1(C)C ZINC001168412170 1040905270 /nfs/dbraw/zinc/90/52/70/1040905270.db2.gz KVAGPSDOZFUZST-KRWDZBQOSA-N 1 3 318.480 3.924 20 0 DHADHO CCCN1CCC([N@H+](C)C/C=C/c2ccccc2OC)CC1 ZINC000092165623 193170045 /nfs/dbraw/zinc/17/00/45/193170045.db2.gz WCCZCCUTBJAVNS-VQHVLOKHSA-N 1 3 302.462 3.515 20 0 DHADHO CCCN1CCC([N@@H+](C)C/C=C/c2ccccc2OC)CC1 ZINC000092165623 193170047 /nfs/dbraw/zinc/17/00/47/193170047.db2.gz WCCZCCUTBJAVNS-VQHVLOKHSA-N 1 3 302.462 3.515 20 0 DHADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152378387 335035588 /nfs/dbraw/zinc/03/55/88/335035588.db2.gz PSPYQIAITBIXAY-BIENJYKASA-N 1 3 302.437 3.523 20 0 DHADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152378387 335035589 /nfs/dbraw/zinc/03/55/89/335035589.db2.gz PSPYQIAITBIXAY-BIENJYKASA-N 1 3 302.437 3.523 20 0 DHADHO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)[C@@H]1CCCN(C2CCC2)C1 ZINC000272668931 130051344 /nfs/dbraw/zinc/05/13/44/130051344.db2.gz JXRFNMVVSLWRKV-MAUKXSAKSA-N 1 3 311.473 3.911 20 0 DHADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(Cl)cn1 ZINC000274976405 130278669 /nfs/dbraw/zinc/27/86/69/130278669.db2.gz YPBZWBJCMCXZLU-HNNXBMFYSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCOC2(C)C)C1 ZINC000340183793 131018315 /nfs/dbraw/zinc/01/83/15/131018315.db2.gz FOBLSAYAGNAULC-VQIMIIECSA-N 1 3 316.489 3.576 20 0 DHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CCOC2(C)C)C1 ZINC000340183793 131018317 /nfs/dbraw/zinc/01/83/17/131018317.db2.gz FOBLSAYAGNAULC-VQIMIIECSA-N 1 3 316.489 3.576 20 0 DHADHO CC[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C)c1 ZINC000286292699 131229159 /nfs/dbraw/zinc/22/91/59/131229159.db2.gz WHBSOKYWJWPDRB-FXAWDEMLSA-N 1 3 316.489 3.537 20 0 DHADHO Clc1ccc2c(ccn2CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000287532293 131285028 /nfs/dbraw/zinc/28/50/28/131285028.db2.gz PAAMKYPTSZEBDS-SJORKVTESA-N 1 3 317.864 3.511 20 0 DHADHO Clc1ccc2c(ccn2CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000287532293 131285030 /nfs/dbraw/zinc/28/50/30/131285030.db2.gz PAAMKYPTSZEBDS-SJORKVTESA-N 1 3 317.864 3.511 20 0 DHADHO C[N@@H+]1CC[C@@H](NCc2ccc3c(c2)COC3)C[C@@H]1c1ccccc1 ZINC000340307298 131368849 /nfs/dbraw/zinc/36/88/49/131368849.db2.gz UNQJTEFOKVTZML-NHCUHLMSSA-N 1 3 322.452 3.642 20 0 DHADHO C[N@H+]1CC[C@@H](NCc2ccc3c(c2)COC3)C[C@@H]1c1ccccc1 ZINC000340307298 131368850 /nfs/dbraw/zinc/36/88/50/131368850.db2.gz UNQJTEFOKVTZML-NHCUHLMSSA-N 1 3 322.452 3.642 20 0 DHADHO CCC[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000297439981 132015798 /nfs/dbraw/zinc/01/57/98/132015798.db2.gz WBIKTHMBVOWCGU-HAGHYFMRSA-N 1 3 316.489 3.587 20 0 DHADHO CCC[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000297439981 132015799 /nfs/dbraw/zinc/01/57/99/132015799.db2.gz WBIKTHMBVOWCGU-HAGHYFMRSA-N 1 3 316.489 3.587 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000297913830 132039692 /nfs/dbraw/zinc/03/96/92/132039692.db2.gz WSXBRLSSKLJHGD-GOEBONIOSA-N 1 3 321.896 3.822 20 0 DHADHO C[C@@H](CC[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298330513 132056582 /nfs/dbraw/zinc/05/65/82/132056582.db2.gz ITCRHRARIYOUFP-KRWDZBQOSA-N 1 3 309.457 3.834 20 0 DHADHO CC[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298507497 132065921 /nfs/dbraw/zinc/06/59/21/132065921.db2.gz QSSKLIMYFJEHFD-QGZVFWFLSA-N 1 3 309.457 3.834 20 0 DHADHO Cc1[nH]c2c(cc(C)cc2CNC2CC[NH+](C3CC3)CC2)c1C ZINC000298569885 132068803 /nfs/dbraw/zinc/06/88/03/132068803.db2.gz WYTYVRQEEBTFMP-UHFFFAOYSA-N 1 3 311.473 3.810 20 0 DHADHO C[NH+](C)Cc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000171133713 332867497 /nfs/dbraw/zinc/86/74/97/332867497.db2.gz UOVNPANCGRYBPA-IBGZPJMESA-N 1 3 310.441 3.752 20 0 DHADHO CC[NH+]1CCC(CNCc2cc3ccccc3cc2OC)CC1 ZINC000583975066 331507697 /nfs/dbraw/zinc/50/76/97/331507697.db2.gz WJUNNLBOPZTVMU-UHFFFAOYSA-N 1 3 312.457 3.670 20 0 DHADHO CC[C@H](c1ccc(Cl)cc1)N1CCC(OCCC[NH3+])CC1 ZINC000094070081 331991287 /nfs/dbraw/zinc/99/12/87/331991287.db2.gz KGHGEVKKKQCKHI-QGZVFWFLSA-N 1 3 310.869 3.621 20 0 DHADHO CC1=C[C@H](C)C[C@H](C[NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000569395654 332075320 /nfs/dbraw/zinc/07/53/20/332075320.db2.gz DVYQZPZKXGVNSN-LPHOPBHVSA-N 1 3 313.489 3.880 20 0 DHADHO COc1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC000092253937 332123125 /nfs/dbraw/zinc/12/31/25/332123125.db2.gz PSJPHDDLSVGUEJ-INIZCTEOSA-N 1 3 312.457 3.622 20 0 DHADHO COc1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c2ccccc12 ZINC000092253937 332123127 /nfs/dbraw/zinc/12/31/27/332123127.db2.gz PSJPHDDLSVGUEJ-INIZCTEOSA-N 1 3 312.457 3.622 20 0 DHADHO C[NH+](C)CCC1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000092381257 332127819 /nfs/dbraw/zinc/12/78/19/332127819.db2.gz SDLRVXHICXYUAO-UHFFFAOYSA-N 1 3 316.489 3.639 20 0 DHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CCO)CCCC2)CC1 ZINC000363758240 332241734 /nfs/dbraw/zinc/24/17/34/332241734.db2.gz GVMSTIJDUFJVTI-HKUYNNGSSA-N 1 3 322.537 3.562 20 0 DHADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(CCO)CCCC2)CC1 ZINC000363758240 332241735 /nfs/dbraw/zinc/24/17/35/332241735.db2.gz GVMSTIJDUFJVTI-HKUYNNGSSA-N 1 3 322.537 3.562 20 0 DHADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000566244884 332276303 /nfs/dbraw/zinc/27/63/03/332276303.db2.gz AWUDYUBUYOOLHC-GFCCVEGCSA-N 1 3 324.346 3.895 20 0 DHADHO COc1cc(C)cc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559787060 332282024 /nfs/dbraw/zinc/28/20/24/332282024.db2.gz MHSULWANCKTXAX-FPOVZHCZSA-N 1 3 324.468 3.929 20 0 DHADHO COc1cc(C)cc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559787060 332282025 /nfs/dbraw/zinc/28/20/25/332282025.db2.gz MHSULWANCKTXAX-FPOVZHCZSA-N 1 3 324.468 3.929 20 0 DHADHO CCCN(CC)C[C@@H](C)[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000559854739 332285366 /nfs/dbraw/zinc/28/53/66/332285366.db2.gz LEMVHNMMLVXZAC-HOJAQTOUSA-N 1 3 317.521 3.532 20 0 DHADHO COc1cccc2c1CC[C@@H](NCCC[NH+](C(C)C)C(C)C)C2 ZINC000426075194 335100629 /nfs/dbraw/zinc/10/06/29/335100629.db2.gz FMZSQKNWKKTTGH-GOSISDBHSA-N 1 3 318.505 3.651 20 0 DHADHO C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000449528879 332372508 /nfs/dbraw/zinc/37/25/08/332372508.db2.gz SRKDVFLOUWVZTH-UHFFFAOYSA-N 1 3 318.383 3.621 20 0 DHADHO CN1CCC2(CC1)C[C@@H]([NH2+]C1(C3CC3)CC1)c1ccccc1O2 ZINC000562363568 332584627 /nfs/dbraw/zinc/58/46/27/332584627.db2.gz BGRPLSODHMIIFV-QGZVFWFLSA-N 1 3 312.457 3.507 20 0 DHADHO c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000261679127 332640278 /nfs/dbraw/zinc/64/02/78/332640278.db2.gz HVZRBHVIAPTABV-MISYRCLQSA-N 1 3 311.473 3.611 20 0 DHADHO Cc1nsc(C)c1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000580211863 333011995 /nfs/dbraw/zinc/01/19/95/333011995.db2.gz MUNFIMLJZVRHMS-UHFFFAOYSA-N 1 3 321.534 3.848 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccccc1C(F)(F)F ZINC000019993102 333294571 /nfs/dbraw/zinc/29/45/71/333294571.db2.gz DHFRSUWRMNZNCK-CYBMUJFWSA-N 1 3 300.368 3.842 20 0 DHADHO CCCN1CCC([N@H+](C)CCOc2ccc(Cl)cc2)CC1 ZINC000531378502 333347566 /nfs/dbraw/zinc/34/75/66/333347566.db2.gz PCIZSHKLGXEULH-UHFFFAOYSA-N 1 3 310.869 3.525 20 0 DHADHO CCCN1CCC([N@@H+](C)CCOc2ccc(Cl)cc2)CC1 ZINC000531378502 333347568 /nfs/dbraw/zinc/34/75/68/333347568.db2.gz PCIZSHKLGXEULH-UHFFFAOYSA-N 1 3 310.869 3.525 20 0 DHADHO C[C@@H]1CC[C@@H](C)N1Cc1cncc(C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000565344699 333391099 /nfs/dbraw/zinc/39/10/99/333391099.db2.gz JDDQFKXOSXBLLX-QBPKDAKJSA-N 1 3 301.478 3.827 20 0 DHADHO COc1ccccc1C[C@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000124029161 333486297 /nfs/dbraw/zinc/48/62/97/333486297.db2.gz ORTLZHBJGWVDCK-AWEZNQCLSA-N 1 3 304.478 3.525 20 0 DHADHO CCOc1cccc2cc([C@H](C)NCC3=CC[N@H+](C)CC3)oc21 ZINC000271820660 334027261 /nfs/dbraw/zinc/02/72/61/334027261.db2.gz CFYRUVRDZZKYBS-AWEZNQCLSA-N 1 3 314.429 3.744 20 0 DHADHO CCOc1cccc2cc([C@H](C)NCC3=CC[N@@H+](C)CC3)oc21 ZINC000271820660 334027263 /nfs/dbraw/zinc/02/72/63/334027263.db2.gz CFYRUVRDZZKYBS-AWEZNQCLSA-N 1 3 314.429 3.744 20 0 DHADHO C[C@@]1(c2ccccc2)CC[C@@H](N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000414649818 334054522 /nfs/dbraw/zinc/05/45/22/334054522.db2.gz ALJMERRYVMRAQC-NHCUHLMSSA-N 1 3 312.501 3.961 20 0 DHADHO COc1cc(-c2ccccc2)ccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000414663528 334061834 /nfs/dbraw/zinc/06/18/34/334061834.db2.gz BFERZCGYFJRDAJ-YSIASYRMSA-N 1 3 322.452 3.531 20 0 DHADHO C[C@@H]1C[C@H](CN2CCCC[C@@H]2c2nc3ccccc3o2)CC[NH2+]1 ZINC000414760102 334086928 /nfs/dbraw/zinc/08/69/28/334086928.db2.gz XUBJLWBXMXAODJ-BFYDXBDKSA-N 1 3 313.445 3.743 20 0 DHADHO FC(F)(F)c1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414777301 334092049 /nfs/dbraw/zinc/09/20/49/334092049.db2.gz HZEPQUYNELCWHA-VXGBXAGGSA-N 1 3 318.408 3.588 20 0 DHADHO c1ccc(CC[C@@H](Cc2ccccc2)[NH2+]C2CCNCC2)cc1 ZINC000414783236 334094887 /nfs/dbraw/zinc/09/48/87/334094887.db2.gz QEVYPNSVSBQTPW-NRFANRHFSA-N 1 3 308.469 3.572 20 0 DHADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414791349 334097989 /nfs/dbraw/zinc/09/79/89/334097989.db2.gz HSXBUYJOJZAREV-GXFFZTMASA-N 1 3 306.759 3.576 20 0 DHADHO Cc1nc2ccc(CNCc3ccc([C@H](C)[NH3+])cc3)cc2s1 ZINC000414808198 334104475 /nfs/dbraw/zinc/10/44/75/334104475.db2.gz DQWQOEZVMNYOIA-LBPRGKRZSA-N 1 3 311.454 3.914 20 0 DHADHO COc1ccc(C2CCC([NH2+][C@H]3CCCC[C@H]3CN)CC2)cc1 ZINC000414809880 334104783 /nfs/dbraw/zinc/10/47/83/334104783.db2.gz UUAQQIJQZBRVLJ-DJANBRAMSA-N 1 3 316.489 3.829 20 0 DHADHO CCC([NH3+])(CC)CN[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414808172 334104842 /nfs/dbraw/zinc/10/48/42/334104842.db2.gz KOKIOIRAOUONAN-GFCCVEGCSA-N 1 3 302.384 3.744 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414812549 334106334 /nfs/dbraw/zinc/10/63/34/334106334.db2.gz XKBDKAVQFKAWKZ-IVMMDQJWSA-N 1 3 314.395 3.744 20 0 DHADHO C[NH2+]C[C@H](C)CNCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414832082 334110825 /nfs/dbraw/zinc/11/08/25/334110825.db2.gz DSGUWFHQOZFBFO-AWEZNQCLSA-N 1 3 318.411 3.542 20 0 DHADHO CNC[C@H](C)C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414832082 334110827 /nfs/dbraw/zinc/11/08/27/334110827.db2.gz DSGUWFHQOZFBFO-AWEZNQCLSA-N 1 3 318.411 3.542 20 0 DHADHO C[C@@H](NCc1cc(-c2ccccc2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000414853543 334127662 /nfs/dbraw/zinc/12/76/62/334127662.db2.gz KYKGGMKWVIOBCT-GDBMZVCRSA-N 1 3 300.471 3.893 20 0 DHADHO CNCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414862175 334133047 /nfs/dbraw/zinc/13/30/47/334133047.db2.gz VCSWEQIYUPAHQD-CABCVRRESA-N 1 3 300.368 3.541 20 0 DHADHO C[NH2+]CCCN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414862175 334133049 /nfs/dbraw/zinc/13/30/49/334133049.db2.gz VCSWEQIYUPAHQD-CABCVRRESA-N 1 3 300.368 3.541 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414906134 334169361 /nfs/dbraw/zinc/16/93/61/334169361.db2.gz MBJVGUVHSKWFBN-DOMZBBRYSA-N 1 3 300.899 3.702 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000414916537 334177542 /nfs/dbraw/zinc/17/75/42/334177542.db2.gz OTAHFWQFJMTGNT-VXGBXAGGSA-N 1 3 301.261 3.656 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414941262 334202454 /nfs/dbraw/zinc/20/24/54/334202454.db2.gz LHTJSQADSRLIFU-UEKVPHQBSA-N 1 3 301.261 3.512 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414941262 334202455 /nfs/dbraw/zinc/20/24/55/334202455.db2.gz LHTJSQADSRLIFU-UEKVPHQBSA-N 1 3 301.261 3.512 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000414945828 334205046 /nfs/dbraw/zinc/20/50/46/334205046.db2.gz SFHWUYCYMUBFLR-WBMJQRKESA-N 1 3 315.288 3.904 20 0 DHADHO CC(C)[C@H](NCCCCC[NH+]1CCCC1)c1ccc(F)cn1 ZINC000340474742 334211681 /nfs/dbraw/zinc/21/16/81/334211681.db2.gz UXFOYMNJCVXOKV-SFHVURJKSA-N 1 3 307.457 3.774 20 0 DHADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414962396 334213090 /nfs/dbraw/zinc/21/30/90/334213090.db2.gz CKZHHPHFROSOLV-KRWDZBQOSA-N 1 3 300.471 3.893 20 0 DHADHO C[C@@H](C[NH2+][C@H]1CCNCC1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000414967837 334215324 /nfs/dbraw/zinc/21/53/24/334215324.db2.gz HSQGXMOMQCSZMJ-WFASDCNBSA-N 1 3 314.395 3.787 20 0 DHADHO C[C@@H](CN[C@H]1CC[NH2+]CC1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000414967837 334215325 /nfs/dbraw/zinc/21/53/25/334215325.db2.gz HSQGXMOMQCSZMJ-WFASDCNBSA-N 1 3 314.395 3.787 20 0 DHADHO c1ccc2c(c1)cccc2OCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415082277 334273242 /nfs/dbraw/zinc/27/32/42/334273242.db2.gz DBHBUCSUCJTKST-AQNXPRMDSA-N 1 3 324.468 3.729 20 0 DHADHO C[C@@H](CCNC[C@@]1(C)CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415086299 334273310 /nfs/dbraw/zinc/27/33/10/334273310.db2.gz JKSHVUWSACYESP-XJKSGUPXSA-N 1 3 314.395 3.788 20 0 DHADHO FC(F)Oc1ccc(Cl)cc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414983307 334227000 /nfs/dbraw/zinc/22/70/00/334227000.db2.gz ZJIBPNLHCBJVFZ-ZDUSSCGKSA-N 1 3 318.795 3.563 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](CNCc2c(Cl)cccc2N2CCCC2)C1 ZINC000414991214 334230845 /nfs/dbraw/zinc/23/08/45/334230845.db2.gz ATDALXHXHUUMSE-CABCVRRESA-N 1 3 321.896 3.547 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](CNCc2csc(-c3ccc(F)cc3)n2)C1 ZINC000414992461 334231148 /nfs/dbraw/zinc/23/11/48/334231148.db2.gz KMRDOVCBWSAJIB-SWLSCSKDSA-N 1 3 319.449 3.556 20 0 DHADHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000415007952 334250445 /nfs/dbraw/zinc/25/04/45/334250445.db2.gz RZNKVCXLNDLMPU-TWKWOARYSA-N 1 3 304.453 3.687 20 0 DHADHO Fc1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Cl)c1Cl ZINC000415011945 334258303 /nfs/dbraw/zinc/25/83/03/334258303.db2.gz RORGVNSWPPXRKM-WCQYABFASA-N 1 3 317.235 3.610 20 0 DHADHO c1sc2ccccc2c1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415038513 334260790 /nfs/dbraw/zinc/26/07/90/334260790.db2.gz HWGWHJKRRAZSMD-RHSMWYFYSA-N 1 3 300.471 3.865 20 0 DHADHO c1cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000415041747 334261060 /nfs/dbraw/zinc/26/10/60/334261060.db2.gz LQNRRDRNHHJZIM-SFTDATJTSA-N 1 3 321.468 3.713 20 0 DHADHO c1ccc(OCCCCCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415060112 334261927 /nfs/dbraw/zinc/26/19/27/334261927.db2.gz XXNWDHGBQROBAT-QUCCMNQESA-N 1 3 316.489 3.700 20 0 DHADHO [NH3+]CCC[C@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000415058529 334262001 /nfs/dbraw/zinc/26/20/01/334262001.db2.gz TXZXIYJJEJDPNJ-IBGZPJMESA-N 1 3 320.440 3.647 20 0 DHADHO [NH3+]CCC[C@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000415058529 334262003 /nfs/dbraw/zinc/26/20/03/334262003.db2.gz TXZXIYJJEJDPNJ-IBGZPJMESA-N 1 3 320.440 3.647 20 0 DHADHO CC(C)Cc1ncc(CN[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000415059670 334262006 /nfs/dbraw/zinc/26/20/06/334262006.db2.gz VIAREOZARCDXKJ-KRWDZBQOSA-N 1 3 317.502 3.911 20 0 DHADHO CCC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccsc1 ZINC000187691933 334268119 /nfs/dbraw/zinc/26/81/19/334268119.db2.gz SHVAKOVSXZWUHL-KRWDZBQOSA-N 1 3 310.507 3.680 20 0 DHADHO C[C@@H]([NH2+][C@H]1CCCNCC1)C(c1ccccc1)c1ccccc1 ZINC000415094757 334280741 /nfs/dbraw/zinc/28/07/41/334280741.db2.gz YEQUTIYQINNEDV-XLIONFOSSA-N 1 3 308.469 3.939 20 0 DHADHO Fc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000415095055 334280894 /nfs/dbraw/zinc/28/08/94/334280894.db2.gz YSZBBKGNYYKRKX-OIISXLGYSA-N 1 3 310.844 3.532 20 0 DHADHO CC[C@H](C)[C@@H](C)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000531949495 334303619 /nfs/dbraw/zinc/30/36/19/334303619.db2.gz DWMBNPHAMPVADQ-DLBZAZTESA-N 1 3 318.505 3.931 20 0 DHADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1)C(C)C ZINC000531949669 334303802 /nfs/dbraw/zinc/30/38/02/334303802.db2.gz RYQQFJILZPQFED-HXUWFJFHSA-N 1 3 318.505 3.931 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(Oc2ccccc2)cc1 ZINC000531962005 334312436 /nfs/dbraw/zinc/31/24/36/334312436.db2.gz KUEKSKZEQOGWFZ-OXJNMPFZSA-N 1 3 310.441 3.909 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(Oc2ccccc2)cc1 ZINC000531962005 334312438 /nfs/dbraw/zinc/31/24/38/334312438.db2.gz KUEKSKZEQOGWFZ-OXJNMPFZSA-N 1 3 310.441 3.909 20 0 DHADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c(OC(C)(C)C)c1 ZINC000531979433 334350632 /nfs/dbraw/zinc/35/06/32/334350632.db2.gz LYQXJDATZRRWST-LZLYRXPVSA-N 1 3 318.505 3.991 20 0 DHADHO Clc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000534973439 334351243 /nfs/dbraw/zinc/35/12/43/334351243.db2.gz ROXKLNUBTHRYTK-FZKQIMNGSA-N 1 3 304.865 3.791 20 0 DHADHO Clc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000534973439 334351244 /nfs/dbraw/zinc/35/12/44/334351244.db2.gz ROXKLNUBTHRYTK-FZKQIMNGSA-N 1 3 304.865 3.791 20 0 DHADHO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342822056 334581185 /nfs/dbraw/zinc/58/11/85/334581185.db2.gz FGSCMVQYEWRYIA-JKSUJKDBSA-N 1 3 304.478 3.684 20 0 DHADHO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@H](C)CN(C)C)cc1F ZINC000425954680 334820416 /nfs/dbraw/zinc/82/04/16/334820416.db2.gz WOSYGIVPTCOKQH-QILLFSRXSA-N 1 3 322.468 3.648 20 0 DHADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[NH+](C)C)cc1)CCC2 ZINC000344706126 335274172 /nfs/dbraw/zinc/27/41/72/335274172.db2.gz XURNXRWPOHROHU-OAQYLSRUSA-N 1 3 324.468 3.924 20 0 DHADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[NH+](C)C)cc1)CCC2 ZINC000344706119 335274196 /nfs/dbraw/zinc/27/41/96/335274196.db2.gz XURNXRWPOHROHU-NRFANRHFSA-N 1 3 324.468 3.924 20 0 DHADHO CC(C)N(CC1(C[N@H+](C(C)C)C2CCC2)COC1)C1CCC1 ZINC000345434764 335329675 /nfs/dbraw/zinc/32/96/75/335329675.db2.gz JVASOYCIWFZIPY-UHFFFAOYSA-N 1 3 308.510 3.529 20 0 DHADHO CC(C)N(CC1(C[N@@H+](C(C)C)C2CCC2)COC1)C1CCC1 ZINC000345434764 335329677 /nfs/dbraw/zinc/32/96/77/335329677.db2.gz JVASOYCIWFZIPY-UHFFFAOYSA-N 1 3 308.510 3.529 20 0 DHADHO CC[C@@H](C(=O)Nc1cccc(C[NH+](CC)CC)c1)N(CC)CC ZINC000345799590 335352114 /nfs/dbraw/zinc/35/21/14/335352114.db2.gz NZVBDXSRRWXZFA-SFHVURJKSA-N 1 3 319.493 3.587 20 0 DHADHO C[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)[C@@H]1CCCO1 ZINC000346463642 335409754 /nfs/dbraw/zinc/40/97/54/335409754.db2.gz QEEQVUMGPDLWRA-PXNSSMCTSA-N 1 3 316.489 3.576 20 0 DHADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cccc(OC(F)(F)F)c1 ZINC000519402084 335844261 /nfs/dbraw/zinc/84/42/61/335844261.db2.gz XIGYHIGPTSNPPR-GFCCVEGCSA-N 1 3 324.346 3.895 20 0 DHADHO c1ccc([C@H]2C[C@@H]2C[NH2+]CC2CCN(c3ccncc3)CC2)cc1 ZINC000417955219 336031149 /nfs/dbraw/zinc/03/11/49/336031149.db2.gz CUXKTWKSIOISGA-TZIWHRDSSA-N 1 3 321.468 3.691 20 0 DHADHO CSCc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000526107717 336125884 /nfs/dbraw/zinc/12/58/84/336125884.db2.gz VSLOXDJTOQTBPJ-UHFFFAOYSA-N 1 3 304.503 3.514 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000333342016 336202134 /nfs/dbraw/zinc/20/21/34/336202134.db2.gz YHTIGSRUVJJYOR-ZJPYXAASSA-N 1 3 301.478 3.523 20 0 DHADHO CC[C@@H]1CCC[N@@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000352651135 336228754 /nfs/dbraw/zinc/22/87/54/336228754.db2.gz DUMAWEBMTXTQJU-GOSISDBHSA-N 1 3 315.505 3.591 20 0 DHADHO CC[C@@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000352651135 336228755 /nfs/dbraw/zinc/22/87/55/336228755.db2.gz DUMAWEBMTXTQJU-GOSISDBHSA-N 1 3 315.505 3.591 20 0 DHADHO CC(C)CN1CCC([NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000532451799 336249967 /nfs/dbraw/zinc/24/99/67/336249967.db2.gz QPIJBRIDQLZEKS-AUUYWEPGSA-N 1 3 304.453 3.769 20 0 DHADHO C[NH+]1CCC(C)(CNCc2cscc2C(F)(F)F)CC1 ZINC000352835836 336272126 /nfs/dbraw/zinc/27/21/26/336272126.db2.gz LHULPMGPLKRVSK-UHFFFAOYSA-N 1 3 306.397 3.588 20 0 DHADHO FC(F)(F)c1cscc1CNCC1CC[NH+](C2CC2)CC1 ZINC000352862524 336282411 /nfs/dbraw/zinc/28/24/11/336282411.db2.gz OILSUARICITFKN-UHFFFAOYSA-N 1 3 318.408 3.731 20 0 DHADHO Fc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000192922331 336284340 /nfs/dbraw/zinc/28/43/40/336284340.db2.gz SMCVINXEHTWQCO-KRWDZBQOSA-N 1 3 316.395 3.577 20 0 DHADHO Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ccccc2n1 ZINC000301770643 336328790 /nfs/dbraw/zinc/32/87/90/336328790.db2.gz IZTDUVUGGQHYKI-UZLBHIALSA-N 1 3 321.468 3.996 20 0 DHADHO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2ccccc2n1 ZINC000301770643 336328791 /nfs/dbraw/zinc/32/87/91/336328791.db2.gz IZTDUVUGGQHYKI-UZLBHIALSA-N 1 3 321.468 3.996 20 0 DHADHO CCc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2n1 ZINC000301775044 336328967 /nfs/dbraw/zinc/32/89/67/336328967.db2.gz GCHLEJIBQQGHHE-HNAYVOBHSA-N 1 3 309.457 3.718 20 0 DHADHO CCc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2n1 ZINC000301775044 336328968 /nfs/dbraw/zinc/32/89/68/336328968.db2.gz GCHLEJIBQQGHHE-HNAYVOBHSA-N 1 3 309.457 3.718 20 0 DHADHO CCCc1cc(N2CC[C@@H](C[N@H+](C)CC)C2)c2ccccc2n1 ZINC000301797678 336330614 /nfs/dbraw/zinc/33/06/14/336330614.db2.gz QRUPVDVSBVWWON-INIZCTEOSA-N 1 3 311.473 3.965 20 0 DHADHO CCCc1cc(N2CC[C@@H](C[N@@H+](C)CC)C2)c2ccccc2n1 ZINC000301797678 336330615 /nfs/dbraw/zinc/33/06/15/336330615.db2.gz QRUPVDVSBVWWON-INIZCTEOSA-N 1 3 311.473 3.965 20 0 DHADHO Cc1nc2ccccc2c(N2CCC[C@H]([NH+]3CCCC3)C2)c1C ZINC000302089451 336347939 /nfs/dbraw/zinc/34/79/39/336347939.db2.gz ORXGTXJORVTGIC-KRWDZBQOSA-N 1 3 309.457 3.916 20 0 DHADHO Cc1nc2ccccc2c(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000302109864 336349009 /nfs/dbraw/zinc/34/90/09/336349009.db2.gz ZAPLCRWEVMCJQG-VQIMIIECSA-N 1 3 309.457 3.772 20 0 DHADHO Cc1nc2ccccc2c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000302109864 336349010 /nfs/dbraw/zinc/34/90/10/336349010.db2.gz ZAPLCRWEVMCJQG-VQIMIIECSA-N 1 3 309.457 3.772 20 0 DHADHO C/C(=C\c1cccc(C(F)(F)F)c1)CNC1CC[NH+](C)CC1 ZINC000563998078 336395031 /nfs/dbraw/zinc/39/50/31/336395031.db2.gz QWHXUKFXOLBHDB-JLHYYAGUSA-N 1 3 312.379 3.793 20 0 DHADHO COC1(C[NH2+]CC2CCN(Cc3cccs3)CC2)CCCC1 ZINC000359762746 336686900 /nfs/dbraw/zinc/68/69/00/336686900.db2.gz AGKASVCQZJFOKX-UHFFFAOYSA-N 1 3 322.518 3.509 20 0 DHADHO CN(C)Cc1ccc(C[NH2+]C2CC(OCc3ccccc3)C2)cc1 ZINC000361915162 336777864 /nfs/dbraw/zinc/77/78/64/336777864.db2.gz UHHDXLRAHBLRER-UHFFFAOYSA-N 1 3 324.468 3.586 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000582421351 336971896 /nfs/dbraw/zinc/97/18/96/336971896.db2.gz ZHGYLBVPXFHFKV-BYCMXARLSA-N 1 3 315.383 3.620 20 0 DHADHO CC[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000122301827 337003897 /nfs/dbraw/zinc/00/38/97/337003897.db2.gz VIYAHTQMVDBLHW-LJQANCHMSA-N 1 3 312.457 3.868 20 0 DHADHO Fc1ccc(/C=C/C[NH2+]C2CC(N3CCCCC3)C2)cc1F ZINC000377157866 337047770 /nfs/dbraw/zinc/04/77/70/337047770.db2.gz MYEHDWNTLMBELV-SNAWJCMRSA-N 1 3 306.400 3.585 20 0 DHADHO c1ccc(C[N@H+]2CCC3(C2)CCN(Cc2cccnc2)CC3)cc1 ZINC000377194453 337048525 /nfs/dbraw/zinc/04/85/25/337048525.db2.gz AQQJDEFOUYMAQU-UHFFFAOYSA-N 1 3 321.468 3.570 20 0 DHADHO c1ccc(C[N@@H+]2CCC3(C2)CCN(Cc2cccnc2)CC3)cc1 ZINC000377194453 337048526 /nfs/dbraw/zinc/04/85/26/337048526.db2.gz AQQJDEFOUYMAQU-UHFFFAOYSA-N 1 3 321.468 3.570 20 0 DHADHO C[N@@H+]1CC[C@@H](CNCc2cccc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000377763566 337060431 /nfs/dbraw/zinc/06/04/31/337060431.db2.gz RILJHZDSKWUFGC-GHTZIAJQSA-N 1 3 319.452 3.951 20 0 DHADHO C[N@H+]1CC[C@@H](CNCc2cccc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000377763566 337060432 /nfs/dbraw/zinc/06/04/32/337060432.db2.gz RILJHZDSKWUFGC-GHTZIAJQSA-N 1 3 319.452 3.951 20 0 DHADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834083 337062141 /nfs/dbraw/zinc/06/21/41/337062141.db2.gz IYJDYHXVXBAHOO-LEWJYISDSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834083 337062142 /nfs/dbraw/zinc/06/21/42/337062142.db2.gz IYJDYHXVXBAHOO-LEWJYISDSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834083 337062143 /nfs/dbraw/zinc/06/21/43/337062143.db2.gz IYJDYHXVXBAHOO-LEWJYISDSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc(-c3cccnc3)c2)C1 ZINC000377834083 337062144 /nfs/dbraw/zinc/06/21/44/337062144.db2.gz IYJDYHXVXBAHOO-LEWJYISDSA-N 1 3 321.468 3.665 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(CO)c1 ZINC000378515303 337074885 /nfs/dbraw/zinc/07/48/85/337074885.db2.gz GKDJXSXVHWAQNY-ORYQWCPZSA-N 1 3 324.468 3.523 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccc(CO)c1 ZINC000378515303 337074886 /nfs/dbraw/zinc/07/48/86/337074886.db2.gz GKDJXSXVHWAQNY-ORYQWCPZSA-N 1 3 324.468 3.523 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000178413249 337164549 /nfs/dbraw/zinc/16/45/49/337164549.db2.gz QZQDSXPVGDKQON-GJZGRUSLSA-N 1 3 317.502 3.864 20 0 DHADHO C[C@H](NCCC[NH+]1CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000178413249 337164550 /nfs/dbraw/zinc/16/45/50/337164550.db2.gz QZQDSXPVGDKQON-GJZGRUSLSA-N 1 3 317.502 3.864 20 0 DHADHO CC(C)N1CCC([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000180405711 337174176 /nfs/dbraw/zinc/17/41/76/337174176.db2.gz NBFIVQAOFHKDLE-KRWDZBQOSA-N 1 3 320.452 3.890 20 0 DHADHO CCO[C@H](CC[NH+](C)C)CNC1c2ccccc2-c2ccccc21 ZINC000183863515 337195041 /nfs/dbraw/zinc/19/50/41/337195041.db2.gz QRDQCEURIUHVPX-MRXNPFEDSA-N 1 3 324.468 3.703 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cccc(-c3cccnc3)c2)[C@@H]2CCC[C@H]21 ZINC000583220734 337277682 /nfs/dbraw/zinc/27/76/82/337277682.db2.gz VAVKAZGOHUCAKB-PCCBWWKXSA-N 1 3 321.468 3.711 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cccc(-c3cccnc3)c2)[C@@H]2CCC[C@H]21 ZINC000583220734 337277683 /nfs/dbraw/zinc/27/76/83/337277683.db2.gz VAVKAZGOHUCAKB-PCCBWWKXSA-N 1 3 321.468 3.711 20 0 DHADHO CC(C)OC1CC([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000189527986 337280096 /nfs/dbraw/zinc/28/00/96/337280096.db2.gz JHIOFNUCLYUACM-UHFFFAOYSA-N 1 3 322.518 3.506 20 0 DHADHO Cc1c[nH+]ccc1NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000192622560 337305859 /nfs/dbraw/zinc/30/58/59/337305859.db2.gz HTVZQVRQRLUYFE-YOEHRIQHSA-N 1 3 301.459 3.947 20 0 DHADHO Cc1c2cc(F)ccc2oc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000192735382 337307039 /nfs/dbraw/zinc/30/70/39/337307039.db2.gz JRNPSQDKEZUQOE-GOOCMWNKSA-N 1 3 302.393 3.595 20 0 DHADHO CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccccc1Cl ZINC000192931829 337308615 /nfs/dbraw/zinc/30/86/15/337308615.db2.gz LMTJOKAEJFRXEA-WTXIUTQJSA-N 1 3 322.880 3.712 20 0 DHADHO CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccccc1Cl ZINC000192931829 337308616 /nfs/dbraw/zinc/30/86/16/337308616.db2.gz LMTJOKAEJFRXEA-WTXIUTQJSA-N 1 3 322.880 3.712 20 0 DHADHO C/C(=C\c1ccccc1OC(F)F)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000584439450 337325804 /nfs/dbraw/zinc/32/58/04/337325804.db2.gz WKXTZKSSCFOOEN-RNTKJRCOSA-N 1 3 324.415 3.764 20 0 DHADHO C/C(=C\c1ccccc1OC(F)F)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000584439450 337325805 /nfs/dbraw/zinc/32/58/05/337325805.db2.gz WKXTZKSSCFOOEN-RNTKJRCOSA-N 1 3 324.415 3.764 20 0 DHADHO NC1(C[NH2+]Cc2cccc(-c3ccncc3)c2)CCCCCC1 ZINC000583740314 337327796 /nfs/dbraw/zinc/32/77/96/337327796.db2.gz HKFFJPLDGUMJLS-UHFFFAOYSA-N 1 3 309.457 3.890 20 0 DHADHO C[C@H](c1ccc(Cl)cc1)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420386942 337500465 /nfs/dbraw/zinc/50/04/65/337500465.db2.gz VJKKOVIFYXQFQX-XWIAVFTESA-N 1 3 322.880 3.619 20 0 DHADHO Cc1ccsc1[C@@H](Cc1ccccc1)NC[C@@H]1CC[NH2+]C1 ZINC000420406336 337500705 /nfs/dbraw/zinc/50/07/05/337500705.db2.gz NRIWYCKGEUKTGN-IAGOWNOFSA-N 1 3 300.471 3.539 20 0 DHADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1sccc1Br ZINC000572272704 337602125 /nfs/dbraw/zinc/60/21/25/337602125.db2.gz RRXFBCFCMJDAQY-JTQLQIEISA-N 1 3 317.296 3.551 20 0 DHADHO C[NH2+]CCC1CCN(Cc2ccc(SC(F)F)cc2)CC1 ZINC000262023018 337614367 /nfs/dbraw/zinc/61/43/67/337614367.db2.gz YQIPFWQGBRFFEZ-UHFFFAOYSA-N 1 3 314.445 3.823 20 0 DHADHO CCC[C@](C)(N)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000262091159 337615033 /nfs/dbraw/zinc/61/50/33/337615033.db2.gz AGPFQTSEBHQZEK-IBGZPJMESA-N 1 3 317.477 3.519 20 0 DHADHO Cc1ccc2c(c1)[C@@H](NCc1cccc(OCC[NH+](C)C)c1)CC2 ZINC000162577385 337640535 /nfs/dbraw/zinc/64/05/35/337640535.db2.gz WCOHKPHQYUERMW-NRFANRHFSA-N 1 3 324.468 3.713 20 0 DHADHO Clc1ccc(C2(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422707124 337683595 /nfs/dbraw/zinc/68/35/95/337683595.db2.gz VSQITINDBRXQPT-RCCFBDPRSA-N 1 3 318.892 3.882 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000422710901 337683729 /nfs/dbraw/zinc/68/37/29/337683729.db2.gz LVXVREXGVZCXME-RYGJVYDSSA-N 1 3 309.457 3.836 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000422729273 337684289 /nfs/dbraw/zinc/68/42/89/337684289.db2.gz KGMWGCNQGABICU-YMFLFHJQSA-N 1 3 303.494 3.960 20 0 DHADHO COc1cccc(CN[C@H](C)CCCC[NH3+])c1OC1CCCC1 ZINC000422737068 337684533 /nfs/dbraw/zinc/68/45/33/337684533.db2.gz XCERKGDHDIQAKD-OAHLLOKOSA-N 1 3 320.477 3.624 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1cccs1 ZINC000422738626 337684614 /nfs/dbraw/zinc/68/46/14/337684614.db2.gz JYRHPINPDNPXHN-GFCCVEGCSA-N 1 3 303.475 3.539 20 0 DHADHO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)s1 ZINC000422761764 337685483 /nfs/dbraw/zinc/68/54/83/337685483.db2.gz MEZGZOQXGGARNX-WCQYABFASA-N 1 3 303.475 3.500 20 0 DHADHO COC[C@H](N[C@H](C)CCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422773000 337685909 /nfs/dbraw/zinc/68/59/09/337685909.db2.gz ZZZITFCSZMOYRL-DOMZBBRYSA-N 1 3 318.383 3.500 20 0 DHADHO C[C@H](OCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422786021 337686610 /nfs/dbraw/zinc/68/66/10/337686610.db2.gz NZBRBCBAONTHET-NBYUQASBSA-N 1 3 316.489 3.665 20 0 DHADHO Clc1ccc(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000422808112 337687517 /nfs/dbraw/zinc/68/75/17/337687517.db2.gz AHEZLJSZYATDAG-YIONKMFJSA-N 1 3 313.272 3.799 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000422810177 337687702 /nfs/dbraw/zinc/68/77/02/337687702.db2.gz SZRSCKCYFUDRSQ-PBHICJAKSA-N 1 3 309.457 3.619 20 0 DHADHO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000422815449 337687862 /nfs/dbraw/zinc/68/78/62/337687862.db2.gz BTJRECLWVNHMOW-IVMMDQJWSA-N 1 3 307.507 3.564 20 0 DHADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422856768 337689143 /nfs/dbraw/zinc/68/91/43/337689143.db2.gz GCCJMAPMZWKBCB-ZEIJEMSESA-N 1 3 313.272 3.797 20 0 DHADHO Cc1ccccc1C(C)(C)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422862852 337689217 /nfs/dbraw/zinc/68/92/17/337689217.db2.gz QNZYGIJXTJUPEY-HNNXBMFYSA-N 1 3 311.473 3.786 20 0 DHADHO C[C@@H]([NH2+]C(CCc1ccccc1)CCc1ccccc1)C1CNC1 ZINC000422890936 337690282 /nfs/dbraw/zinc/69/02/82/337690282.db2.gz JOYQATIIBMOZHX-GOSISDBHSA-N 1 3 322.496 3.818 20 0 DHADHO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)c(C)c1 ZINC000422890221 337690299 /nfs/dbraw/zinc/69/02/99/337690299.db2.gz ROGCMNVVONCLSZ-CVEARBPZSA-N 1 3 311.473 3.747 20 0 DHADHO CC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(C)c1 ZINC000422917608 337691225 /nfs/dbraw/zinc/69/12/25/337691225.db2.gz FFFWGHGXPYAWRZ-VBSBHUPXSA-N 1 3 316.489 3.663 20 0 DHADHO C[C@H](CCC[NH3+])NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000422931614 337692093 /nfs/dbraw/zinc/69/20/93/337692093.db2.gz CASTYVIBTQMGQV-CYBMUJFWSA-N 1 3 304.384 3.771 20 0 DHADHO Clc1cccc(CCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422943822 337692871 /nfs/dbraw/zinc/69/28/71/337692871.db2.gz LAHHMCQGXNTRBS-KZNAEPCWSA-N 1 3 306.881 3.783 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422951060 337694558 /nfs/dbraw/zinc/69/45/58/337694558.db2.gz XGUYMHIEBLNCNM-KKUMJFAQSA-N 1 3 308.466 3.651 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000422956664 337694746 /nfs/dbraw/zinc/69/47/46/337694746.db2.gz QBUQMFNOHCDRRF-NSHDSACASA-N 1 3 321.827 3.535 20 0 DHADHO Cc1cccc([C@@H](NC2CCC(C[NH3+])CC2)c2ccccn2)c1 ZINC000423020866 337695994 /nfs/dbraw/zinc/69/59/94/337695994.db2.gz CZVASNJPIOIUMZ-OUNSHVDWSA-N 1 3 309.457 3.587 20 0 DHADHO CC(C)c1ccc2c(c1)[C@@H](N[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])CCC2 ZINC000423027646 337696268 /nfs/dbraw/zinc/69/62/68/337696268.db2.gz RSDDOMPFJYQLNH-QRKUABHPSA-N 1 3 316.489 3.529 20 0 DHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423083258 337698615 /nfs/dbraw/zinc/69/86/15/337698615.db2.gz YLUGCBLTKCFPRC-VBSBHUPXSA-N 1 3 316.489 3.665 20 0 DHADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423122259 337700492 /nfs/dbraw/zinc/70/04/92/337700492.db2.gz BZFXNFAZEOEAGK-GPFWEFOESA-N 1 3 302.437 3.582 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423128582 337700733 /nfs/dbraw/zinc/70/07/33/337700733.db2.gz LDJBAYXZZRCTIM-JLTOFOAXSA-N 1 3 309.457 3.693 20 0 DHADHO FC(F)(F)[C@H](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423138209 337701251 /nfs/dbraw/zinc/70/12/51/337701251.db2.gz SLKZHHLXRRFNJO-VFSICIBPSA-N 1 3 312.379 3.595 20 0 DHADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423167577 337702222 /nfs/dbraw/zinc/70/22/22/337702222.db2.gz SKVMJNCROUCETO-UWIFEVILSA-N 1 3 306.881 3.954 20 0 DHADHO COc1ccc(-c2nc(C)c([C@H](C)NCC[C@H](C)[NH3+])s2)cc1 ZINC000423226059 337705851 /nfs/dbraw/zinc/70/58/51/337705851.db2.gz PGTCEUDVVHSQQT-RYUDHWBXSA-N 1 3 319.474 3.515 20 0 DHADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cc(Br)cs1 ZINC000423278380 337709007 /nfs/dbraw/zinc/70/90/07/337709007.db2.gz PSHPWSUCKNYYHN-UMNHJUIQSA-N 1 3 317.296 3.679 20 0 DHADHO Cc1ccc(-c2nc3c(s2)[C@H](NC[C@@H](C)C[NH3+])CCC3)cc1 ZINC000423296122 337710735 /nfs/dbraw/zinc/71/07/35/337710735.db2.gz GEURHPMRICMBOB-DZGCQCFKSA-N 1 3 315.486 3.680 20 0 DHADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423306829 337711302 /nfs/dbraw/zinc/71/13/02/337711302.db2.gz MBCBBHSZDFEVPX-UXIGCNINSA-N 1 3 300.368 3.526 20 0 DHADHO C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@@H](C)c1nc2ccccc2s1 ZINC000423356645 337714035 /nfs/dbraw/zinc/71/40/35/337714035.db2.gz HBCMDDGPNRFTPV-MGPQQGTHSA-N 1 3 303.475 3.520 20 0 DHADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000423369012 337715037 /nfs/dbraw/zinc/71/50/37/337715037.db2.gz DRAXKJYDXDOACT-UHTWSYAYSA-N 1 3 302.340 3.506 20 0 DHADHO COc1ccccc1[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000423407353 337716154 /nfs/dbraw/zinc/71/61/54/337716154.db2.gz ZYUWSPDFPDQWRR-FRQCXROJSA-N 1 3 302.462 3.786 20 0 DHADHO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423377802 337717493 /nfs/dbraw/zinc/71/74/93/337717493.db2.gz KJSFJLKKTDVVLF-OWCLPIDISA-N 1 3 313.489 3.954 20 0 DHADHO [NH3+]C[C@H]1CC[C@H](CN[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000423434326 337718961 /nfs/dbraw/zinc/71/89/61/337718961.db2.gz XSAAYWVQKZUUBQ-MBOZVWFJSA-N 1 3 309.457 3.526 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CCCC1 ZINC000423463417 337720627 /nfs/dbraw/zinc/72/06/27/337720627.db2.gz FXNKFWLAFBLRDB-UCLAIMLFSA-N 1 3 304.453 3.687 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1C[C@@H]1C ZINC000423467511 337720941 /nfs/dbraw/zinc/72/09/41/337720941.db2.gz JCWYYBPIAVNNPC-PKEBMLEUSA-N 1 3 304.453 3.543 20 0 DHADHO C[C@@H]([NH2+]CC1(C2CC2)CCC1)c1cccc(OCCN(C)C)c1 ZINC000536836544 337735970 /nfs/dbraw/zinc/73/59/70/337735970.db2.gz BEFYUYJBLVOYAF-MRXNPFEDSA-N 1 3 316.489 3.858 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)C1 ZINC000536848257 337744311 /nfs/dbraw/zinc/74/43/11/337744311.db2.gz XBMMZJFEXCSCNS-NEWSRXKRSA-N 1 3 320.521 3.721 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424296818 337816983 /nfs/dbraw/zinc/81/69/83/337816983.db2.gz FZNKGDCUYHVIMW-VTYCOLDWSA-N 1 3 322.537 3.680 20 0 DHADHO C[NH+](C)CCCC1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000093688714 337920205 /nfs/dbraw/zinc/92/02/05/337920205.db2.gz STTDRKSXFJRSPA-UHFFFAOYSA-N 1 3 321.534 3.964 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000515634047 337994076 /nfs/dbraw/zinc/99/40/76/337994076.db2.gz GXWMBKREYXQNAR-HNNXBMFYSA-N 1 3 311.473 3.865 20 0 DHADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000425923939 338019003 /nfs/dbraw/zinc/01/90/03/338019003.db2.gz MFFWCFVYWMQJIU-BBRMVZONSA-N 1 3 300.437 3.664 20 0 DHADHO CC[NH+](CC)CCCC1CCN([C@@H](C)c2cnc(C)cn2)CC1 ZINC000428365724 338049103 /nfs/dbraw/zinc/04/91/03/338049103.db2.gz VMVHZAQBXDBZQZ-KRWDZBQOSA-N 1 3 318.509 3.680 20 0 DHADHO CN(C)[C@@H]1CCC[N@H+](CCCOc2cccc(Cl)c2)CC1 ZINC000429530733 338083140 /nfs/dbraw/zinc/08/31/40/338083140.db2.gz UASYLVHPJNHCSR-MRXNPFEDSA-N 1 3 310.869 3.525 20 0 DHADHO CN(C)[C@@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)CC1 ZINC000429530733 338083141 /nfs/dbraw/zinc/08/31/41/338083141.db2.gz UASYLVHPJNHCSR-MRXNPFEDSA-N 1 3 310.869 3.525 20 0 DHADHO Fc1ccccc1-c1ccc(CN2CCC3(CC[NH2+]C3)CC2)o1 ZINC000430930798 338118987 /nfs/dbraw/zinc/11/89/87/338118987.db2.gz UKNLATSQJODHIY-UHFFFAOYSA-N 1 3 314.404 3.661 20 0 DHADHO CN(Cc1ccc(C(F)(F)F)s1)CC1CC[NH+](C)CC1 ZINC000432745362 338165773 /nfs/dbraw/zinc/16/57/73/338165773.db2.gz BJTQENNIKZZIMV-UHFFFAOYSA-N 1 3 306.397 3.541 20 0 DHADHO CCc1ccc([C@@H]2CCN(CCC[NH+]3CCCCC3)C2)cc1 ZINC000433056843 338179121 /nfs/dbraw/zinc/17/91/21/338179121.db2.gz JENRVVFEBHBPDR-HXUWFJFHSA-N 1 3 300.490 3.914 20 0 DHADHO COc1ccccc1-c1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000435375326 338238240 /nfs/dbraw/zinc/23/82/40/338238240.db2.gz LZLCHDKQNWKYMY-CRAIPNDOSA-N 1 3 310.441 3.531 20 0 DHADHO CCN(Cc1cccc(-c2cccnc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435389485 338238714 /nfs/dbraw/zinc/23/87/14/338238714.db2.gz KPZYOJAYTOYIHS-FQEVSTJZSA-N 1 3 309.457 3.713 20 0 DHADHO Cc1ccc(CCCNC[C@@H]2CCC[N@@H+]2C2CCCCC2)cn1 ZINC000437343226 338307439 /nfs/dbraw/zinc/30/74/39/338307439.db2.gz CGCVTAHBMVKHSM-FQEVSTJZSA-N 1 3 315.505 3.709 20 0 DHADHO Cc1ccc(CCCNC[C@@H]2CCC[N@H+]2C2CCCCC2)cn1 ZINC000437343226 338307440 /nfs/dbraw/zinc/30/74/40/338307440.db2.gz CGCVTAHBMVKHSM-FQEVSTJZSA-N 1 3 315.505 3.709 20 0 DHADHO C[C@H](CN1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000438100036 338331415 /nfs/dbraw/zinc/33/14/15/338331415.db2.gz YHYVESADGKAGOO-APWZRJJASA-N 1 3 304.453 3.880 20 0 DHADHO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000438117886 338333075 /nfs/dbraw/zinc/33/30/75/338333075.db2.gz MLDJSXHVJTWEJK-GIVPXCGWSA-N 1 3 312.501 3.915 20 0 DHADHO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000438117886 338333076 /nfs/dbraw/zinc/33/30/76/338333076.db2.gz MLDJSXHVJTWEJK-GIVPXCGWSA-N 1 3 312.501 3.915 20 0 DHADHO Cc1ccc2cc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)ccc2n1 ZINC000438187199 338335635 /nfs/dbraw/zinc/33/56/35/338335635.db2.gz PLURDEBIIALKSD-IBGZPJMESA-N 1 3 313.489 3.999 20 0 DHADHO CCC[C@](C)(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449145169 338596778 /nfs/dbraw/zinc/59/67/78/338596778.db2.gz KRTOZODMQUROCY-IBGZPJMESA-N 1 3 312.542 3.806 20 0 DHADHO COCC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000449171436 338598971 /nfs/dbraw/zinc/59/89/71/338598971.db2.gz AFQCKSZEKVOBRA-UHFFFAOYSA-N 1 3 308.510 3.578 20 0 DHADHO CC[C@H](C)[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)OC ZINC000449403692 338621396 /nfs/dbraw/zinc/62/13/96/338621396.db2.gz RBLIEONQHRDNGO-DKKFBQAASA-N 1 3 310.526 3.680 20 0 DHADHO C[C@@H](CCCc1cccnc1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000453075327 338790753 /nfs/dbraw/zinc/79/07/53/338790753.db2.gz HLTKZUZFNWLBKU-HNNXBMFYSA-N 1 3 303.494 3.692 20 0 DHADHO CC[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccncc1 ZINC000453092332 338792822 /nfs/dbraw/zinc/79/28/22/338792822.db2.gz QIGJGOUAIOXXIR-FQEVSTJZSA-N 1 3 309.457 3.918 20 0 DHADHO c1csc([C@H]([NH2+]C2CCN(c3ccncc3)CC2)C2CC2)c1 ZINC000459397577 339027087 /nfs/dbraw/zinc/02/70/87/339027087.db2.gz XOWTWAGFCSLOSM-GOSISDBHSA-N 1 3 313.470 3.853 20 0 DHADHO CCCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459409625 339027646 /nfs/dbraw/zinc/02/76/46/339027646.db2.gz RDTLIIQUULVOQU-LPHOPBHVSA-N 1 3 301.478 3.999 20 0 DHADHO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459434229 339028913 /nfs/dbraw/zinc/02/89/13/339028913.db2.gz HKHNJVVHBWITLG-YJBOKZPZSA-N 1 3 301.478 3.855 20 0 DHADHO Cc1cccc([C@H](C)C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459438876 339029235 /nfs/dbraw/zinc/02/92/35/339029235.db2.gz SGYVZXAEIRKHJJ-QGZVFWFLSA-N 1 3 309.457 3.752 20 0 DHADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000459670598 339042044 /nfs/dbraw/zinc/04/20/44/339042044.db2.gz UEVKDHJNDRKVHQ-SHUKQUCYSA-N 1 3 310.844 3.655 20 0 DHADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000459670598 339042045 /nfs/dbraw/zinc/04/20/45/339042045.db2.gz UEVKDHJNDRKVHQ-SHUKQUCYSA-N 1 3 310.844 3.655 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(F)cc2C(F)(F)F)C1 ZINC000459722425 339044227 /nfs/dbraw/zinc/04/42/27/339044227.db2.gz BHWRUSBBLDLRNW-GFCCVEGCSA-N 1 3 318.358 3.666 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2ccc(F)cc2C(F)(F)F)C1 ZINC000459722425 339044228 /nfs/dbraw/zinc/04/42/28/339044228.db2.gz BHWRUSBBLDLRNW-GFCCVEGCSA-N 1 3 318.358 3.666 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2csc(Cl)c2Cl)C1 ZINC000459723566 339044326 /nfs/dbraw/zinc/04/43/26/339044326.db2.gz ADFQPKBUVXEXFM-SNVBAGLBSA-N 1 3 307.290 3.876 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2csc(Cl)c2Cl)C1 ZINC000459723566 339044327 /nfs/dbraw/zinc/04/43/27/339044327.db2.gz ADFQPKBUVXEXFM-SNVBAGLBSA-N 1 3 307.290 3.876 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2cnc(-c3ccsc3)s2)C1 ZINC000459730528 339044861 /nfs/dbraw/zinc/04/48/61/339044861.db2.gz KNAXFTDFWMILHI-ZDUSSCGKSA-N 1 3 321.515 3.693 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2cnc(-c3ccsc3)s2)C1 ZINC000459730528 339044862 /nfs/dbraw/zinc/04/48/62/339044862.db2.gz KNAXFTDFWMILHI-ZDUSSCGKSA-N 1 3 321.515 3.693 20 0 DHADHO COc1ccc2ccccc2c1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459731988 339044924 /nfs/dbraw/zinc/04/49/24/339044924.db2.gz LRJYJXRQQFOWGO-MRXNPFEDSA-N 1 3 312.457 3.670 20 0 DHADHO COc1ccc2ccccc2c1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459731988 339044925 /nfs/dbraw/zinc/04/49/25/339044925.db2.gz LRJYJXRQQFOWGO-MRXNPFEDSA-N 1 3 312.457 3.670 20 0 DHADHO COc1ccc2ccccc2c1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459731986 339045057 /nfs/dbraw/zinc/04/50/57/339045057.db2.gz LRJYJXRQQFOWGO-INIZCTEOSA-N 1 3 312.457 3.670 20 0 DHADHO COc1ccc2ccccc2c1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459731986 339045058 /nfs/dbraw/zinc/04/50/58/339045058.db2.gz LRJYJXRQQFOWGO-INIZCTEOSA-N 1 3 312.457 3.670 20 0 DHADHO CC[C@H]1CCC[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1 ZINC000462750875 339086904 /nfs/dbraw/zinc/08/69/04/339086904.db2.gz RQMRVIGLVYNHNO-PKOBYXMFSA-N 1 3 318.505 3.728 20 0 DHADHO FCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000462816453 339091594 /nfs/dbraw/zinc/09/15/94/339091594.db2.gz LOPUJZKXNDGICN-GBESFXJTSA-N 1 3 304.453 3.626 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000463542024 339120829 /nfs/dbraw/zinc/12/08/29/339120829.db2.gz IOFQMNQRHCWEEZ-NZSAHSFTSA-N 1 3 300.490 3.890 20 0 DHADHO CN(CCc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464857085 339158348 /nfs/dbraw/zinc/15/83/48/339158348.db2.gz VKSUHJFECSTRTB-OAQYLSRUSA-N 1 3 308.469 3.683 20 0 DHADHO CN(CCc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464857085 339158349 /nfs/dbraw/zinc/15/83/49/339158349.db2.gz VKSUHJFECSTRTB-OAQYLSRUSA-N 1 3 308.469 3.683 20 0 DHADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2cccc(F)c2)s1 ZINC000469857218 339302906 /nfs/dbraw/zinc/30/29/06/339302906.db2.gz SLGVESJXSQEIMT-QWHCGFSZSA-N 1 3 304.434 3.723 20 0 DHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4ccc(F)cc4)s3)C[C@H]12 ZINC000469871378 339303361 /nfs/dbraw/zinc/30/33/61/339303361.db2.gz RUCOLJBCENEEPY-XOKHGSTOSA-N 1 3 316.445 3.723 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OCC(C)C)[C@H](C)C1 ZINC000471238847 339340881 /nfs/dbraw/zinc/34/08/81/339340881.db2.gz MTYHPPDLVSWMJP-MJGOQNOKSA-N 1 3 318.505 3.884 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OCC(C)C)[C@H](C)C1 ZINC000471238847 339340882 /nfs/dbraw/zinc/34/08/82/339340882.db2.gz MTYHPPDLVSWMJP-MJGOQNOKSA-N 1 3 318.505 3.884 20 0 DHADHO CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)c2cccc(Cl)c2)C1 ZINC000472267208 339368266 /nfs/dbraw/zinc/36/82/66/339368266.db2.gz CLVPEDWZYGIIEO-CRAIPNDOSA-N 1 3 324.896 3.834 20 0 DHADHO CN(C)c1cccc([C@H]2CCCN2CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000472584798 339374410 /nfs/dbraw/zinc/37/44/10/339374410.db2.gz IVTRJHJBMXKGGZ-UYAOXDASSA-N 1 3 315.505 3.764 20 0 DHADHO CN(C)c1cccc([C@H]2CCCN2CC[C@H]2CCCC[N@H+]2C)c1 ZINC000472584798 339374411 /nfs/dbraw/zinc/37/44/11/339374411.db2.gz IVTRJHJBMXKGGZ-UYAOXDASSA-N 1 3 315.505 3.764 20 0 DHADHO CCSc1cccc(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000473130176 339381561 /nfs/dbraw/zinc/38/15/61/339381561.db2.gz AFKYHIKZHXZRJU-UHFFFAOYSA-N 1 3 306.519 3.962 20 0 DHADHO C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)CN1CCCCC1 ZINC000474048991 339399154 /nfs/dbraw/zinc/39/91/54/339399154.db2.gz ZBMMFZJEHALSMI-GJZGRUSLSA-N 1 3 302.453 3.912 20 0 DHADHO CCCN(CCC)CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000474052848 339399400 /nfs/dbraw/zinc/39/94/00/339399400.db2.gz NMNRQYVPUAENFK-GBESFXJTSA-N 1 3 310.526 3.683 20 0 DHADHO C1CCC(N2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)C1 ZINC000474056526 339399702 /nfs/dbraw/zinc/39/97/02/339399702.db2.gz NPHVAVVRBONIEV-PWIZWCRZSA-N 1 3 320.521 3.578 20 0 DHADHO C1CCC(N2CCC([NH2+][C@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)C1 ZINC000474056518 339399750 /nfs/dbraw/zinc/39/97/50/339399750.db2.gz NPHVAVVRBONIEV-AHRSYUTCSA-N 1 3 320.521 3.578 20 0 DHADHO CC[NH+](CC)Cc1ccc(CNC/C=C/c2ccncc2)cc1 ZINC000486930952 339738490 /nfs/dbraw/zinc/73/84/90/339738490.db2.gz DJPBHAILBZHUAE-AATRIKPKSA-N 1 3 309.457 3.726 20 0 DHADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000516583887 340085748 /nfs/dbraw/zinc/08/57/48/340085748.db2.gz KZAFYZNWGCNCAL-HBMCJLEFSA-N 1 3 308.469 3.872 20 0 DHADHO COc1ccc2cc(C[N@H+](C)CC[C@@H]3CCCN3C)ccc2c1 ZINC000502694917 340110926 /nfs/dbraw/zinc/11/09/26/340110926.db2.gz UJBDKYGLVFMFIO-IBGZPJMESA-N 1 3 312.457 3.765 20 0 DHADHO COc1ccc2cc(C[N@@H+](C)CC[C@@H]3CCCN3C)ccc2c1 ZINC000502694917 340110927 /nfs/dbraw/zinc/11/09/27/340110927.db2.gz UJBDKYGLVFMFIO-IBGZPJMESA-N 1 3 312.457 3.765 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000503037982 340119404 /nfs/dbraw/zinc/11/94/04/340119404.db2.gz UPUNRLKEDOULED-PZJWPPBQSA-N 1 3 324.468 3.520 20 0 DHADHO CC[NH+](CC)CC1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000506877119 340203118 /nfs/dbraw/zinc/20/31/18/340203118.db2.gz UGXJXHKBNSBFFD-WAYWQWQTSA-N 1 3 304.453 3.893 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2coc3ccccc23)CC1 ZINC000506944489 340204057 /nfs/dbraw/zinc/20/40/57/340204057.db2.gz LQMPSPDVQBDIEX-UHFFFAOYSA-N 1 3 300.446 3.987 20 0 DHADHO CCC[C@H](C)[N@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000507000975 340205197 /nfs/dbraw/zinc/20/51/97/340205197.db2.gz GTXYPMBMFADAKX-KRWDZBQOSA-N 1 3 317.521 3.837 20 0 DHADHO CCC[C@H](C)[N@@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000507000975 340205198 /nfs/dbraw/zinc/20/51/98/340205198.db2.gz GTXYPMBMFADAKX-KRWDZBQOSA-N 1 3 317.521 3.837 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CNC/C(C)=C\c2ccccc2COC)C1 ZINC000510122342 340289617 /nfs/dbraw/zinc/28/96/17/340289617.db2.gz VQIUBGWCRBXHEI-FSEPTYSPSA-N 1 3 316.489 3.558 20 0 DHADHO CCC[N@H+]1CC[C@@H](CNC/C(C)=C\c2ccccc2COC)C1 ZINC000510122342 340289618 /nfs/dbraw/zinc/28/96/18/340289618.db2.gz VQIUBGWCRBXHEI-FSEPTYSPSA-N 1 3 316.489 3.558 20 0 DHADHO C[NH+](C)Cc1ccc(CNC/C=C/c2ccc(F)c(F)c2)cc1 ZINC000510207302 340292586 /nfs/dbraw/zinc/29/25/86/340292586.db2.gz DNZOKZHVKMLBEB-ONEGZZNKSA-N 1 3 316.395 3.829 20 0 DHADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000510668409 340305724 /nfs/dbraw/zinc/30/57/24/340305724.db2.gz IWEKTFSGPQDGGW-HLAWJBBLSA-N 1 3 312.501 3.719 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510753224 340309679 /nfs/dbraw/zinc/30/96/79/340309679.db2.gz QHJQUKAMHNOBOQ-HOTGVXAUSA-N 1 3 324.459 3.996 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H](CO)CC3CCCC3)CC2)C1 ZINC000511036042 340318887 /nfs/dbraw/zinc/31/88/87/340318887.db2.gz ZOYLUUZXNXQFIV-UXPWSPDFSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H](CO)CC3CCCC3)CC2)C1 ZINC000511036042 340318888 /nfs/dbraw/zinc/31/88/88/340318888.db2.gz ZOYLUUZXNXQFIV-UXPWSPDFSA-N 1 3 322.537 3.560 20 0 DHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(O)CCCCCC2)CC1 ZINC000513207655 340397171 /nfs/dbraw/zinc/39/71/71/340397171.db2.gz CWLXIYUYQGLDEY-PKOBYXMFSA-N 1 3 322.537 3.704 20 0 DHADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC2(O)CCCCCC2)CC1 ZINC000513207655 340397172 /nfs/dbraw/zinc/39/71/72/340397172.db2.gz CWLXIYUYQGLDEY-PKOBYXMFSA-N 1 3 322.537 3.704 20 0 DHADHO CC(C)CC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000513234311 340398658 /nfs/dbraw/zinc/39/86/58/340398658.db2.gz VORVUWHSSRMIQH-RLLQIKCJSA-N 1 3 324.553 3.806 20 0 DHADHO CC(C)CC[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000513234311 340398659 /nfs/dbraw/zinc/39/86/59/340398659.db2.gz VORVUWHSSRMIQH-RLLQIKCJSA-N 1 3 324.553 3.806 20 0 DHADHO COc1cccc([C@@H](C)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000175636133 340415965 /nfs/dbraw/zinc/41/59/65/340415965.db2.gz QKMKWYCMZWDSGP-MRXNPFEDSA-N 1 3 302.462 3.564 20 0 DHADHO C[C@H](C[NH2+]Cc1cccc(OCCN(C)C)c1)c1ccccc1 ZINC000237551259 340672062 /nfs/dbraw/zinc/67/20/62/340672062.db2.gz JUVQHTLHLUXULX-QGZVFWFLSA-N 1 3 312.457 3.520 20 0 DHADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CC(F)(F)C1 ZINC000529542292 340761625 /nfs/dbraw/zinc/76/16/25/340761625.db2.gz IXSRNMHLKXPZFJ-ZDUSSCGKSA-N 1 3 300.437 3.807 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000530207169 340782564 /nfs/dbraw/zinc/78/25/64/340782564.db2.gz CCDLQTSJGQAMTI-ZFCXZMRBSA-N 1 3 323.278 3.569 20 0 DHADHO N[C@@H]1CCC[C@@H]([NH2+]CC/C=C\c2ccc(Br)cc2)C1 ZINC000530214289 340782606 /nfs/dbraw/zinc/78/26/06/340782606.db2.gz XDABDAPRWCNTRJ-DWVOHPGLSA-N 1 3 323.278 3.712 20 0 DHADHO C[C@@H]1C[C@@H]1c1ccc(CN2CCC(CCC[NH+](C)C)CC2)o1 ZINC000538752478 340847963 /nfs/dbraw/zinc/84/79/63/340847963.db2.gz OERGOVZMCKVQKQ-QAPCUYQASA-N 1 3 304.478 3.957 20 0 DHADHO C[C@H]([NH2+]CC1(C2CC2)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000539053331 340868168 /nfs/dbraw/zinc/86/81/68/340868168.db2.gz SLGOLHMPBNUENC-INIZCTEOSA-N 1 3 316.489 3.858 20 0 DHADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000540172272 340920372 /nfs/dbraw/zinc/92/03/72/340920372.db2.gz XPQUFGLSJMXIJM-QRVBRYPASA-N 1 3 318.505 3.843 20 0 DHADHO C[C@@H]([NH2+]CCCCC(F)(F)F)[C@@H]1CCCN(C2CCC2)C1 ZINC000542533378 341012433 /nfs/dbraw/zinc/01/24/33/341012433.db2.gz UXTWCWIUBUJKSI-ZIAGYGMSSA-N 1 3 306.416 3.962 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000134165673 341208199 /nfs/dbraw/zinc/20/81/99/341208199.db2.gz SHIZQFLEOYVEGM-UHFFFAOYSA-N 1 3 320.525 3.651 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000134165673 341208200 /nfs/dbraw/zinc/20/82/00/341208200.db2.gz SHIZQFLEOYVEGM-UHFFFAOYSA-N 1 3 320.525 3.651 20 0 DHADHO Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000548155756 341250004 /nfs/dbraw/zinc/25/00/04/341250004.db2.gz QIBIQQYOMOKXHZ-PKOBYXMFSA-N 1 3 312.457 3.631 20 0 DHADHO Cc1ccc(CCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000548155756 341250005 /nfs/dbraw/zinc/25/00/05/341250005.db2.gz QIBIQQYOMOKXHZ-PKOBYXMFSA-N 1 3 312.457 3.631 20 0 DHADHO Cc1ccc(CCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000548155756 341250006 /nfs/dbraw/zinc/25/00/06/341250006.db2.gz QIBIQQYOMOKXHZ-PKOBYXMFSA-N 1 3 312.457 3.631 20 0 DHADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935406 341281490 /nfs/dbraw/zinc/28/14/90/341281490.db2.gz KPMXHBNFOPKRSR-CABCVRRESA-N 1 3 318.427 3.915 20 0 DHADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935406 341281491 /nfs/dbraw/zinc/28/14/91/341281491.db2.gz KPMXHBNFOPKRSR-CABCVRRESA-N 1 3 318.427 3.915 20 0 DHADHO C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)CN1CCCCC1 ZINC000549147032 341287255 /nfs/dbraw/zinc/28/72/55/341287255.db2.gz CQYIYVVOKVYNOZ-JYBIWHBTSA-N 1 3 300.490 3.890 20 0 DHADHO Cc1cc(Cl)cc(CNC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000549762102 341302601 /nfs/dbraw/zinc/30/26/01/341302601.db2.gz ZSYHXLCXRDBMHC-UHFFFAOYSA-N 1 3 324.896 3.627 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCCC23CCCC3)C[C@@H](C)O1 ZINC000550629085 341319950 /nfs/dbraw/zinc/31/99/50/341319950.db2.gz OJLOHALSBDDEKS-QRVBRYPASA-N 1 3 322.537 3.968 20 0 DHADHO COc1cc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccc1C ZINC000551014202 341329283 /nfs/dbraw/zinc/32/92/83/341329283.db2.gz KECBWWTWOQCTGP-VQTJNVASSA-N 1 3 324.468 3.929 20 0 DHADHO COc1cc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccc1C ZINC000551014202 341329284 /nfs/dbraw/zinc/32/92/84/341329284.db2.gz KECBWWTWOQCTGP-VQTJNVASSA-N 1 3 324.468 3.929 20 0 DHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000246337154 341342771 /nfs/dbraw/zinc/34/27/71/341342771.db2.gz HKPWYDZDICIVFQ-OLZOCXBDSA-N 1 3 316.367 3.530 20 0 DHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000246337154 341342772 /nfs/dbraw/zinc/34/27/72/341342772.db2.gz HKPWYDZDICIVFQ-OLZOCXBDSA-N 1 3 316.367 3.530 20 0 DHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000551540172 341344886 /nfs/dbraw/zinc/34/48/86/341344886.db2.gz BPSDDNQJTVPACV-WOUAJJJCSA-N 1 3 316.489 3.509 20 0 DHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1 ZINC000246822570 341357374 /nfs/dbraw/zinc/35/73/74/341357374.db2.gz AABWRRRDUBBGNA-BZUAXINKSA-N 1 3 324.896 3.880 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(OC(F)F)cc1 ZINC000246981441 341359515 /nfs/dbraw/zinc/35/95/15/341359515.db2.gz IWFPDCOFQGPQTN-NWANDNLSSA-N 1 3 312.404 3.811 20 0 DHADHO CC(C)c1ccc(OCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247190196 341362079 /nfs/dbraw/zinc/36/20/79/341362079.db2.gz ZYQPPJXWHDERET-FRQCXROJSA-N 1 3 304.478 3.507 20 0 DHADHO CC(C)c1ccc(OCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000247190196 341362080 /nfs/dbraw/zinc/36/20/80/341362080.db2.gz ZYQPPJXWHDERET-FRQCXROJSA-N 1 3 304.478 3.507 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000247970763 341371752 /nfs/dbraw/zinc/37/17/52/341371752.db2.gz HHWYAMZVUOGJNC-GDBMZVCRSA-N 1 3 312.379 3.622 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000247970763 341371753 /nfs/dbraw/zinc/37/17/53/341371753.db2.gz HHWYAMZVUOGJNC-GDBMZVCRSA-N 1 3 312.379 3.622 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000248143549 341373867 /nfs/dbraw/zinc/37/38/67/341373867.db2.gz PXICJSQTPRUXLI-FUHWJXTLSA-N 1 3 306.881 3.689 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000248143549 341373868 /nfs/dbraw/zinc/37/38/68/341373868.db2.gz PXICJSQTPRUXLI-FUHWJXTLSA-N 1 3 306.881 3.689 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000248143549 341373869 /nfs/dbraw/zinc/37/38/69/341373869.db2.gz PXICJSQTPRUXLI-FUHWJXTLSA-N 1 3 306.881 3.689 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000248143549 341373870 /nfs/dbraw/zinc/37/38/70/341373870.db2.gz PXICJSQTPRUXLI-FUHWJXTLSA-N 1 3 306.881 3.689 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000248143551 341373889 /nfs/dbraw/zinc/37/38/89/341373889.db2.gz PXICJSQTPRUXLI-SJLPKXTDSA-N 1 3 306.881 3.689 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000248143551 341373890 /nfs/dbraw/zinc/37/38/90/341373890.db2.gz PXICJSQTPRUXLI-SJLPKXTDSA-N 1 3 306.881 3.689 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000248143551 341373891 /nfs/dbraw/zinc/37/38/91/341373891.db2.gz PXICJSQTPRUXLI-SJLPKXTDSA-N 1 3 306.881 3.689 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000248143551 341373892 /nfs/dbraw/zinc/37/38/92/341373892.db2.gz PXICJSQTPRUXLI-SJLPKXTDSA-N 1 3 306.881 3.689 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Oc1ccccc1Cl ZINC000552276164 341383307 /nfs/dbraw/zinc/38/33/07/341383307.db2.gz NOUXDTOGEFXPMD-YALNPMBYSA-N 1 3 322.880 3.570 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Oc1ccccc1Cl ZINC000552276164 341383308 /nfs/dbraw/zinc/38/33/08/341383308.db2.gz NOUXDTOGEFXPMD-YALNPMBYSA-N 1 3 322.880 3.570 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)C1 ZINC000249376479 341396776 /nfs/dbraw/zinc/39/67/76/341396776.db2.gz KIPPFTXCEWQFDZ-SJORKVTESA-N 1 3 304.478 3.714 20 0 DHADHO C[C@H](C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1cccc(Cl)c1 ZINC000249465953 341398012 /nfs/dbraw/zinc/39/80/12/341398012.db2.gz GQFLJFAEAUQQBY-KYJSFNMBSA-N 1 3 306.881 3.860 20 0 DHADHO C[C@H](C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1cccc(Cl)c1 ZINC000249465953 341398013 /nfs/dbraw/zinc/39/80/13/341398013.db2.gz GQFLJFAEAUQQBY-KYJSFNMBSA-N 1 3 306.881 3.860 20 0 DHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCC1CC1)c1ccccc1O2 ZINC000553491790 341430470 /nfs/dbraw/zinc/43/04/70/341430470.db2.gz PQIFHOZQZSADAV-GOSISDBHSA-N 1 3 314.473 3.754 20 0 DHADHO c1c[nH]c([C@H](NCCCCC[NH+]2CCCC2)C2CCCCC2)n1 ZINC000566611172 341563113 /nfs/dbraw/zinc/56/31/13/341563113.db2.gz GUSVVVCFLSAWFJ-GOSISDBHSA-N 1 3 318.509 3.887 20 0 DHADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000577759187 341935044 /nfs/dbraw/zinc/93/50/44/341935044.db2.gz OEILRJGTUHXSBL-ROUUACIJSA-N 1 3 306.519 3.984 20 0 DHADHO CC(C)OC[C@@H](C)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000337348217 519771158 /nfs/dbraw/zinc/77/11/58/519771158.db2.gz YTMIBTFGNVCNGE-GOSISDBHSA-N 1 3 318.505 3.822 20 0 DHADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000129222854 521923702 /nfs/dbraw/zinc/92/37/02/521923702.db2.gz OSSFXGDTPVWWAF-JKSUJKDBSA-N 1 3 314.395 3.959 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337340777 524109250 /nfs/dbraw/zinc/10/92/50/524109250.db2.gz PSJSPMZXRNUXAV-GGPKGHCWSA-N 1 3 315.505 3.962 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2ccsc2S1 ZINC000336826933 525269122 /nfs/dbraw/zinc/26/91/22/525269122.db2.gz YKQFTJCDQCTQNA-TYNCELHUSA-N 1 3 308.516 3.747 20 0 DHADHO C[C@@H](NCc1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000131761222 525523616 /nfs/dbraw/zinc/52/36/16/525523616.db2.gz ILEGOVPAXTUSSH-OAHLLOKOSA-N 1 3 316.420 3.617 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2cccnc2)cc1 ZINC000157869425 525617081 /nfs/dbraw/zinc/61/70/81/525617081.db2.gz UFJSVOXGQSNXHN-FTRWYGJKSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2cccnc2)cc1 ZINC000157869425 525617089 /nfs/dbraw/zinc/61/70/89/525617089.db2.gz UFJSVOXGQSNXHN-FTRWYGJKSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2cccnc2)cc1 ZINC000157869291 525617944 /nfs/dbraw/zinc/61/79/44/525617944.db2.gz UFJSVOXGQSNXHN-GUXCAODWSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2cccnc2)cc1 ZINC000157869291 525617952 /nfs/dbraw/zinc/61/79/52/525617952.db2.gz UFJSVOXGQSNXHN-GUXCAODWSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000156166592 525641798 /nfs/dbraw/zinc/64/17/98/525641798.db2.gz OISYIJKCSDNSGI-YWPYICTPSA-N 1 3 311.267 3.582 20 0 DHADHO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000156166592 525641805 /nfs/dbraw/zinc/64/18/05/525641805.db2.gz OISYIJKCSDNSGI-YWPYICTPSA-N 1 3 311.267 3.582 20 0 DHADHO C[C@@H](c1ccccc1Br)N1CCC[C@@H](CC[NH3+])C1 ZINC000226325645 526099174 /nfs/dbraw/zinc/09/91/74/526099174.db2.gz HHLOFNLEMGWKEI-STQMWFEESA-N 1 3 311.267 3.571 20 0 DHADHO [NH3+]C1CCN(CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000339408277 527144285 /nfs/dbraw/zinc/14/42/85/527144285.db2.gz XGWJUGYZJBEDRX-UHFFFAOYSA-N 1 3 301.261 3.739 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000284586513 534958610 /nfs/dbraw/zinc/95/86/10/534958610.db2.gz ZMFORDMIVSEAQW-XNFNUYLZSA-N 1 3 316.489 3.509 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000284586503 534959056 /nfs/dbraw/zinc/95/90/56/534959056.db2.gz ZMFORDMIVSEAQW-LNKGRISISA-N 1 3 316.489 3.509 20 0 DHADHO CC1CC[NH+](Cc2cccc(CN[C@@H]3CCOC3(C)C)c2)CC1 ZINC000340229289 535281753 /nfs/dbraw/zinc/28/17/53/535281753.db2.gz UCOMHCNCZHULRS-LJQANCHMSA-N 1 3 316.489 3.576 20 0 DHADHO CC1CCN(Cc2cccc(C[NH2+][C@@H]3CCOC3(C)C)c2)CC1 ZINC000340229289 535281755 /nfs/dbraw/zinc/28/17/55/535281755.db2.gz UCOMHCNCZHULRS-LJQANCHMSA-N 1 3 316.489 3.576 20 0 DHADHO CC[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc(C)c1 ZINC000286109623 535897050 /nfs/dbraw/zinc/89/70/50/535897050.db2.gz NNRLSUZFYHLYIJ-IBGZPJMESA-N 1 3 316.489 3.681 20 0 DHADHO CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000284424587 536643248 /nfs/dbraw/zinc/64/32/48/536643248.db2.gz OVGCVSZJLGLTLT-ILZDJORESA-N 1 3 316.489 3.617 20 0 DHADHO COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CCN(CC(C)C)CC1 ZINC000289237475 537021787 /nfs/dbraw/zinc/02/17/87/537021787.db2.gz MNISTHVLUODNBU-QGZVFWFLSA-N 1 3 320.452 3.532 20 0 DHADHO CCCN(Cc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000037539031 1013181921 /nfs/dbraw/zinc/18/19/21/1013181921.db2.gz TYKQUMKDRJLDHK-UHFFFAOYSA-N 1 3 300.368 3.669 20 0 DHADHO CCC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CCNCC1 ZINC000037539031 1013181932 /nfs/dbraw/zinc/18/19/32/1013181932.db2.gz TYKQUMKDRJLDHK-UHFFFAOYSA-N 1 3 300.368 3.669 20 0 DHADHO CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CCNCC1 ZINC000037539031 1013181939 /nfs/dbraw/zinc/18/19/39/1013181939.db2.gz TYKQUMKDRJLDHK-UHFFFAOYSA-N 1 3 300.368 3.669 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000037644072 1013200866 /nfs/dbraw/zinc/20/08/66/1013200866.db2.gz KWIRTMCTVYZWOB-STQMWFEESA-N 1 3 300.368 3.698 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000037643908 1013201357 /nfs/dbraw/zinc/20/13/57/1013201357.db2.gz ZEUVYHUCROTTOA-STQMWFEESA-N 1 3 300.368 3.698 20 0 DHADHO Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCS2 ZINC000037649411 1013206501 /nfs/dbraw/zinc/20/65/01/1013206501.db2.gz RULDNJQMCZAOLM-WBMJQRKESA-N 1 3 322.905 3.951 20 0 DHADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649362 1013207126 /nfs/dbraw/zinc/20/71/26/1013207126.db2.gz KUQGXZZMFQPLSD-QWHCGFSZSA-N 1 3 323.278 3.584 20 0 DHADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649362 1013207130 /nfs/dbraw/zinc/20/71/30/1013207130.db2.gz KUQGXZZMFQPLSD-QWHCGFSZSA-N 1 3 323.278 3.584 20 0 DHADHO Cc1ccccc1CN(Cc1cccnc1)CC1CC[NH+](C)CC1 ZINC000894458563 1013372032 /nfs/dbraw/zinc/37/20/32/1013372032.db2.gz VQBPCHZENXHZEK-UHFFFAOYSA-N 1 3 323.484 3.734 20 0 DHADHO C[C@@H]1SCC[N@H+](CC[C@H]2CCCN2C)[C@H]1c1ccccc1 ZINC000340372230 1013525053 /nfs/dbraw/zinc/52/50/53/1013525053.db2.gz WLRUNVNIGNSZDS-CGTJXYLNSA-N 1 3 304.503 3.649 20 0 DHADHO C[C@@H]1SCC[N@@H+](CC[C@H]2CCCN2C)[C@H]1c1ccccc1 ZINC000340372230 1013525059 /nfs/dbraw/zinc/52/50/59/1013525059.db2.gz WLRUNVNIGNSZDS-CGTJXYLNSA-N 1 3 304.503 3.649 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)[C@H]1CCCN(C2CCC2)C1 ZINC000519768838 1013601492 /nfs/dbraw/zinc/60/14/92/1013601492.db2.gz HUAHGJPTKHIPGW-JENIJYKNSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H](NC[C@H]1CCC2(CCCC2)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519768838 1013601495 /nfs/dbraw/zinc/60/14/95/1013601495.db2.gz HUAHGJPTKHIPGW-JENIJYKNSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H](NC[C@H]1CCC2(CCCC2)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000519768838 1013601501 /nfs/dbraw/zinc/60/15/01/1013601501.db2.gz HUAHGJPTKHIPGW-JENIJYKNSA-N 1 3 320.521 3.721 20 0 DHADHO [NH3+]Cc1ccc(CN[C@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000579110374 1013639739 /nfs/dbraw/zinc/63/97/39/1013639739.db2.gz LUMGQHKUGHQKCK-KRWDZBQOSA-N 1 3 316.832 3.802 20 0 DHADHO CC(C)c1cccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655756605 1013691972 /nfs/dbraw/zinc/69/19/72/1013691972.db2.gz HNEPTROQFFDZHD-FQEVSTJZSA-N 1 3 316.489 3.543 20 0 DHADHO c1ccc(C[C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167995761 1013794575 /nfs/dbraw/zinc/79/45/75/1013794575.db2.gz PWXSIGIQGGNQCM-IZCSPVGOSA-N 1 3 324.512 3.956 20 0 DHADHO c1ccc(C[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167995761 1013794579 /nfs/dbraw/zinc/79/45/79/1013794579.db2.gz PWXSIGIQGGNQCM-IZCSPVGOSA-N 1 3 324.512 3.956 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC000122342732 1013816219 /nfs/dbraw/zinc/81/62/19/1013816219.db2.gz ZAGRSGWCBSBBDV-HBFSDRIKSA-N 1 3 318.505 3.783 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC000122342732 1013816228 /nfs/dbraw/zinc/81/62/28/1013816228.db2.gz ZAGRSGWCBSBBDV-HBFSDRIKSA-N 1 3 318.505 3.783 20 0 DHADHO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312782929 1014086266 /nfs/dbraw/zinc/08/62/66/1014086266.db2.gz HXPSIYRJGVXWGD-FPMFFAJLSA-N 1 3 313.272 3.986 20 0 DHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(F)cc1 ZINC000398043746 1014116895 /nfs/dbraw/zinc/11/68/95/1014116895.db2.gz QNVGXPISMYGWGF-OXJNMPFZSA-N 1 3 312.432 3.826 20 0 DHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(F)cc1 ZINC000398043746 1014116896 /nfs/dbraw/zinc/11/68/96/1014116896.db2.gz QNVGXPISMYGWGF-OXJNMPFZSA-N 1 3 312.432 3.826 20 0 DHADHO CCCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000580602127 1014245979 /nfs/dbraw/zinc/24/59/79/1014245979.db2.gz AZGVMRDNMXWFMN-DFNIBXOVSA-N 1 3 316.489 3.923 20 0 DHADHO CCCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000580602127 1014245988 /nfs/dbraw/zinc/24/59/88/1014245988.db2.gz AZGVMRDNMXWFMN-DFNIBXOVSA-N 1 3 316.489 3.923 20 0 DHADHO CC[C@H](C[C@](C)(O)CC)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000926119492 1014327612 /nfs/dbraw/zinc/32/76/12/1014327612.db2.gz KOGHXNPRBVAEBQ-YWTNHNAXSA-N 1 3 310.526 3.559 20 0 DHADHO C[C@@H]([NH2+]CC1(N)CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000665249524 1014553635 /nfs/dbraw/zinc/55/36/35/1014553635.db2.gz RXQMVMWOZVLWSI-QWHCGFSZSA-N 1 3 303.475 3.649 20 0 DHADHO C[C@@H](CCC(F)(F)F)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257503 1014587123 /nfs/dbraw/zinc/58/71/23/1014587123.db2.gz LLSNRRHCIBVYRG-NILFDRSVSA-N 1 3 318.358 3.592 20 0 DHADHO C[C@@H]([NH2+]CC12CC(C1)CN2)C(c1ccccc1)c1ccccc1 ZINC000665277554 1014652517 /nfs/dbraw/zinc/65/25/17/1014652517.db2.gz FIIUXVXJYLUFER-ZGGTZUKQSA-N 1 3 306.453 3.549 20 0 DHADHO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000581269460 1014665549 /nfs/dbraw/zinc/66/55/49/1014665549.db2.gz PSWVOHXQOVIWLS-PXTPFGJHSA-N 1 3 316.464 3.767 20 0 DHADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000665281106 1014668179 /nfs/dbraw/zinc/66/81/79/1014668179.db2.gz UTHARJYPYSBJQS-IUODEOHRSA-N 1 3 318.383 3.652 20 0 DHADHO [NH3+]CC[C@@H]1CCCN(Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000442918509 1014772438 /nfs/dbraw/zinc/77/24/38/1014772438.db2.gz GZYSQNMPQBERIA-NSHDSACASA-N 1 3 318.795 3.502 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC(C)(C)CN(C)C ZINC000442999662 1014786467 /nfs/dbraw/zinc/78/64/67/1014786467.db2.gz MYXAALVNYOENMD-UHFFFAOYSA-N 1 3 302.384 3.691 20 0 DHADHO CC(C)c1ccc([C@@H](NC[C@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000522038173 1014870968 /nfs/dbraw/zinc/87/09/68/1014870968.db2.gz WDLSGPDQISMIHA-PMACEKPBSA-N 1 3 318.505 3.552 20 0 DHADHO CC(C)c1ccc([C@@H](NC[C@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000522038173 1014870983 /nfs/dbraw/zinc/87/09/83/1014870983.db2.gz WDLSGPDQISMIHA-PMACEKPBSA-N 1 3 318.505 3.552 20 0 DHADHO COc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1OC ZINC000341185701 1014970764 /nfs/dbraw/zinc/97/07/64/1014970764.db2.gz MKJHKIUGXBGYNT-CVEARBPZSA-N 1 3 320.477 3.537 20 0 DHADHO Clc1ccc([C@@H]2C[C@H]2CN2CCC([NH+]3CCC3)CC2)cc1 ZINC001207196452 1015040099 /nfs/dbraw/zinc/04/00/99/1015040099.db2.gz LSACQULSMYMMQP-YJBOKZPZSA-N 1 3 304.865 3.614 20 0 DHADHO C[NH+]1CCC(CNC(C)(C)c2nc3cc(Cl)ccc3o2)CC1 ZINC000895698412 1015267916 /nfs/dbraw/zinc/26/79/16/1015267916.db2.gz DVQZODFTJIFQTE-UHFFFAOYSA-N 1 3 321.852 3.648 20 0 DHADHO CN1CCC[C@@H](C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000115617437 1015349588 /nfs/dbraw/zinc/34/95/88/1015349588.db2.gz NCCNZQULJVUWBO-ZDUSSCGKSA-N 1 3 320.383 3.656 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474891620 1015689201 /nfs/dbraw/zinc/68/92/01/1015689201.db2.gz YUUAXOGIDLWWHN-MELADBBJSA-N 1 3 312.910 3.969 20 0 DHADHO Fc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000131676133 1015783561 /nfs/dbraw/zinc/78/35/61/1015783561.db2.gz QEMNDQQRWPKDGL-UHFFFAOYSA-N 1 3 304.453 3.755 20 0 DHADHO Fc1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000131676133 1015783566 /nfs/dbraw/zinc/78/35/66/1015783566.db2.gz QEMNDQQRWPKDGL-UHFFFAOYSA-N 1 3 304.453 3.755 20 0 DHADHO CCC[N@H+](C)C[C@@H]1CCN(CC[C@H](C)OCc2ccccc2)C1 ZINC000475040108 1015793183 /nfs/dbraw/zinc/79/31/83/1015793183.db2.gz USKNZKCJPZBECP-ICSRJNTNSA-N 1 3 318.505 3.646 20 0 DHADHO CCC[N@@H+](C)C[C@@H]1CCN(CC[C@H](C)OCc2ccccc2)C1 ZINC000475040108 1015793186 /nfs/dbraw/zinc/79/31/86/1015793186.db2.gz USKNZKCJPZBECP-ICSRJNTNSA-N 1 3 318.505 3.646 20 0 DHADHO Cc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000443961855 1015791559 /nfs/dbraw/zinc/79/15/59/1015791559.db2.gz FOBZUUVQUPKSPI-IYBDPMFKSA-N 1 3 324.896 3.627 20 0 DHADHO [NH3+]Cc1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000582421203 1016727957 /nfs/dbraw/zinc/72/79/57/1016727957.db2.gz FBWNDEQCWMPHIA-KRWDZBQOSA-N 1 3 316.832 3.802 20 0 DHADHO C[C@H](CC[NH2+]Cc1cc2ccncc2s1)N1CCCCC1 ZINC000657433030 1016766681 /nfs/dbraw/zinc/76/66/81/1016766681.db2.gz NACJTMZXESJCPP-CQSZACIVSA-N 1 3 303.475 3.650 20 0 DHADHO COc1ccc([C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000623343265 1016973244 /nfs/dbraw/zinc/97/32/44/1016973244.db2.gz JKWWAYMXXUWMKV-AEFFLSMTSA-N 1 3 304.478 3.855 20 0 DHADHO COc1ccc([C@@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000623343265 1016973257 /nfs/dbraw/zinc/97/32/57/1016973257.db2.gz JKWWAYMXXUWMKV-AEFFLSMTSA-N 1 3 304.478 3.855 20 0 DHADHO CCCOCc1ccccc1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623362377 1016988246 /nfs/dbraw/zinc/98/82/46/1016988246.db2.gz QMZXLGRPCNUWDV-SFHVURJKSA-N 1 3 304.478 3.576 20 0 DHADHO CN1CC[C@@H]([NH2+]Cc2cccc(COC(C)(C)C)c2)CC1(C)C ZINC000623395618 1017019259 /nfs/dbraw/zinc/01/92/59/1017019259.db2.gz RXEUSUSXGUHFDC-GOSISDBHSA-N 1 3 318.505 3.964 20 0 DHADHO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000666922902 1032246014 /nfs/dbraw/zinc/24/60/14/1032246014.db2.gz RCKVULLCYWQAOF-UCLAIMLFSA-N 1 3 304.453 3.687 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000121228677 1032429952 /nfs/dbraw/zinc/42/99/52/1032429952.db2.gz RQDBJKJVNZVEEH-STQMWFEESA-N 1 3 316.367 3.578 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000121228677 1032429960 /nfs/dbraw/zinc/42/99/60/1032429960.db2.gz RQDBJKJVNZVEEH-STQMWFEESA-N 1 3 316.367 3.578 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171340599 1032453097 /nfs/dbraw/zinc/45/30/97/1032453097.db2.gz KJVLABJVRGVONS-YOEHRIQHSA-N 1 3 322.443 3.676 20 0 DHADHO CC[C@H](NCc1ccccc1OCC[NH+](C)C)c1cccs1 ZINC000122326485 1032524781 /nfs/dbraw/zinc/52/47/81/1032524781.db2.gz PXVLNQARUPDKTP-INIZCTEOSA-N 1 3 318.486 3.929 20 0 DHADHO CC1(C)C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC000773107180 1032562194 /nfs/dbraw/zinc/56/21/94/1032562194.db2.gz MAHHWPGMCKTORK-SFHVURJKSA-N 1 3 308.510 3.578 20 0 DHADHO C[C@@H]1CC2(CN1Cc1ccc(C(F)(F)F)s1)CC[NH2+]CC2 ZINC000424373047 1012014080 /nfs/dbraw/zinc/01/40/80/1012014080.db2.gz GKXZZZULNKPRJL-LLVKDONJSA-N 1 3 318.408 3.731 20 0 DHADHO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)sc1Br ZINC000424375306 1012014310 /nfs/dbraw/zinc/01/43/10/1012014310.db2.gz MRBLJJNXXOHJHD-GMTAPVOTSA-N 1 3 317.296 3.740 20 0 DHADHO CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546092 1012093320 /nfs/dbraw/zinc/09/33/20/1012093320.db2.gz IFLAGHRWAHAIJI-MOPGFXCFSA-N 1 3 300.490 3.908 20 0 DHADHO COc1ccc([C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C(C)C)cc1 ZINC000643548622 1012119505 /nfs/dbraw/zinc/11/95/05/1012119505.db2.gz RZQCERGFLWXEFD-WMZOPIPTSA-N 1 3 302.462 3.657 20 0 DHADHO Cc1ccccc1[C@@H](C)NCc1ccccc1OCC[NH+](C)C ZINC000122366798 1032605024 /nfs/dbraw/zinc/60/50/24/1032605024.db2.gz PLCIQFSJIZNFEF-QGZVFWFLSA-N 1 3 312.457 3.786 20 0 DHADHO Cc1cc(C)cc(OCCCN(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000514009142 1012246502 /nfs/dbraw/zinc/24/65/02/1012246502.db2.gz ZPEOAQQRAXDFSI-UHFFFAOYSA-N 1 3 318.505 3.877 20 0 DHADHO CN(CCc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208612529 1012466361 /nfs/dbraw/zinc/46/63/61/1012466361.db2.gz BLRLYFWUGXKUKI-OAHLLOKOSA-N 1 3 314.395 3.522 20 0 DHADHO CN(CCc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208612529 1012466369 /nfs/dbraw/zinc/46/63/69/1012466369.db2.gz BLRLYFWUGXKUKI-OAHLLOKOSA-N 1 3 314.395 3.522 20 0 DHADHO CC(C)(CC[NH+]1CCN(c2ccncc2)CC1)c1ccccc1 ZINC001208663075 1012503002 /nfs/dbraw/zinc/50/30/02/1012503002.db2.gz HGMNUXQAJIVJKF-UHFFFAOYSA-N 1 3 309.457 3.572 20 0 DHADHO CN1CCC[C@H]1CC[N@H+](C)CCCOc1cccc(Cl)c1 ZINC001167094613 1012926884 /nfs/dbraw/zinc/92/68/84/1012926884.db2.gz WIFZZPMUDLZFBN-INIZCTEOSA-N 1 3 310.869 3.525 20 0 DHADHO CN1CCC[C@H]1CC[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC001167094613 1012926886 /nfs/dbraw/zinc/92/68/86/1012926886.db2.gz WIFZZPMUDLZFBN-INIZCTEOSA-N 1 3 310.869 3.525 20 0 DHADHO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)CN(C)C)CCCO2 ZINC000425929363 1012960959 /nfs/dbraw/zinc/96/09/59/1012960959.db2.gz XIVGUIFSWVWGKK-QAPCUYQASA-N 1 3 304.478 3.811 20 0 DHADHO C[C@H](C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1)CN(C)C ZINC000425944017 1012986624 /nfs/dbraw/zinc/98/66/24/1012986624.db2.gz UYLGNVCEAPSZHA-KGLIPLIRSA-N 1 3 316.411 3.814 20 0 DHADHO CC[C@H](OCCN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623558807 1017109794 /nfs/dbraw/zinc/10/97/94/1017109794.db2.gz JOPDUASCNYTHBK-ROUUACIJSA-N 1 3 304.478 3.617 20 0 DHADHO CC[C@H](OCCN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623558807 1017109803 /nfs/dbraw/zinc/10/98/03/1017109803.db2.gz JOPDUASCNYTHBK-ROUUACIJSA-N 1 3 304.478 3.617 20 0 DHADHO Cc1cccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000178041125 1017151472 /nfs/dbraw/zinc/15/14/72/1017151472.db2.gz ISDFNPZJDFOPKA-FGTMMUONSA-N 1 3 304.478 3.535 20 0 DHADHO FC(F)(F)CCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716680219 1032703382 /nfs/dbraw/zinc/70/33/82/1032703382.db2.gz GVRQWGPOEBVTCB-JYJNAYRXSA-N 1 3 312.379 3.582 20 0 DHADHO FC(F)(F)CCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716680219 1032703398 /nfs/dbraw/zinc/70/33/98/1032703398.db2.gz GVRQWGPOEBVTCB-JYJNAYRXSA-N 1 3 312.379 3.582 20 0 DHADHO Cc1cc(C)cc([C@@H]2CCN(CCC[NH+]3CCCCC3)C2)c1 ZINC000444604229 1017587371 /nfs/dbraw/zinc/58/73/71/1017587371.db2.gz APGRBGJQGVQPIZ-LJQANCHMSA-N 1 3 300.490 3.969 20 0 DHADHO C[C@@H]1CN(CCC[NH+]2CCCCC2)CC[C@H]1c1ccccc1 ZINC000444598771 1017591986 /nfs/dbraw/zinc/59/19/86/1017591986.db2.gz PLZNPWCWABXWMC-UYAOXDASSA-N 1 3 300.490 3.988 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@H]1CCc2ccc(Cl)nc21 ZINC000857902878 1032711045 /nfs/dbraw/zinc/71/10/45/1032711045.db2.gz WOXQMZIAYDLASL-ZBFHGGJFSA-N 1 3 321.896 3.967 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@H]1CCc2ccc(Cl)nc21 ZINC000857902878 1032711056 /nfs/dbraw/zinc/71/10/56/1032711056.db2.gz WOXQMZIAYDLASL-ZBFHGGJFSA-N 1 3 321.896 3.967 20 0 DHADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624119694 1017691494 /nfs/dbraw/zinc/69/14/94/1017691494.db2.gz HGLUCZKRVMLQFH-IAGOWNOFSA-N 1 3 304.478 3.858 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000624122446 1017695164 /nfs/dbraw/zinc/69/51/64/1017695164.db2.gz RJKRAMBSNADBHO-NXVRBGIVSA-N 1 3 306.881 3.908 20 0 DHADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000624122670 1017695246 /nfs/dbraw/zinc/69/52/46/1017695246.db2.gz YGBROSRVOLXFMR-ATZDWAIDSA-N 1 3 304.453 3.783 20 0 DHADHO Cc1cccc([C@@H](N[C@@H](C)C2CC[NH+](C)CC2)c2ccccn2)c1 ZINC000090946759 1017834145 /nfs/dbraw/zinc/83/41/45/1017834145.db2.gz PTBGDBKWDHCCCD-LAUBAEHRSA-N 1 3 323.484 3.799 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CCC2(CCC[N@H+]2C)CC1 ZINC000445599153 1017921889 /nfs/dbraw/zinc/92/18/89/1017921889.db2.gz GBXXPETYDSEAEC-UHFFFAOYSA-N 1 3 309.457 3.916 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CCC2(CCC[N@@H+]2C)CC1 ZINC000445599153 1017921895 /nfs/dbraw/zinc/92/18/95/1017921895.db2.gz GBXXPETYDSEAEC-UHFFFAOYSA-N 1 3 309.457 3.916 20 0 DHADHO CCCN1CC[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000367308125 1018102560 /nfs/dbraw/zinc/10/25/60/1018102560.db2.gz NGGPQBNRUOSLED-UQHVZDHRSA-N 1 3 308.416 3.532 20 0 DHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccs1 ZINC000658168525 1018202460 /nfs/dbraw/zinc/20/24/60/1018202460.db2.gz URKBWHOXXFJUMX-HNNXBMFYSA-N 1 3 315.486 3.706 20 0 DHADHO c1coc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000447519308 1018402329 /nfs/dbraw/zinc/40/23/29/1018402329.db2.gz GMPDLEZNAOQIST-REPLKXPHSA-N 1 3 310.441 3.607 20 0 DHADHO c1coc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000447519308 1018402337 /nfs/dbraw/zinc/40/23/37/1018402337.db2.gz GMPDLEZNAOQIST-REPLKXPHSA-N 1 3 310.441 3.607 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2cnoc2C)CC1)CC(C)C ZINC000526083271 1018454112 /nfs/dbraw/zinc/45/41/12/1018454112.db2.gz XFPKMMMYOLGTOF-UHFFFAOYSA-N 1 3 307.482 3.563 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2cnoc2C)CC1)CC(C)C ZINC000526083271 1018454118 /nfs/dbraw/zinc/45/41/18/1018454118.db2.gz XFPKMMMYOLGTOF-UHFFFAOYSA-N 1 3 307.482 3.563 20 0 DHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCCc3ccco3)CC2)C1 ZINC000658327012 1018477684 /nfs/dbraw/zinc/47/76/84/1018477684.db2.gz MEWMORXUUNEBOK-WMZOPIPTSA-N 1 3 304.478 3.845 20 0 DHADHO C[C@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1CCC(F)(F)CC1 ZINC000635003880 1018509746 /nfs/dbraw/zinc/50/97/46/1018509746.db2.gz BPERHHQPCCLLOG-WMLDXEAASA-N 1 3 310.432 3.750 20 0 DHADHO Cc1ccccc1[C@@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635011241 1018511303 /nfs/dbraw/zinc/51/13/03/1018511303.db2.gz DJBSSWIQPRFTER-OZOXKJRCSA-N 1 3 322.452 3.902 20 0 DHADHO C[NH2+]Cc1ccccc1CNCc1cc(C)c2ncccc2c1 ZINC000650719233 1018565784 /nfs/dbraw/zinc/56/57/84/1018565784.db2.gz ISIQWYJWQZDNMP-UHFFFAOYSA-N 1 3 305.425 3.552 20 0 DHADHO C[C@@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccncc1 ZINC000675928375 1018633355 /nfs/dbraw/zinc/63/33/55/1018633355.db2.gz SNESPPGOZJUKQR-FUHIMQAGSA-N 1 3 315.505 3.818 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000650758273 1018694718 /nfs/dbraw/zinc/69/47/18/1018694718.db2.gz MFVBWPNNLQRCGT-ZDUSSCGKSA-N 1 3 320.383 3.858 20 0 DHADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 ZINC000676414300 1018725736 /nfs/dbraw/zinc/72/57/36/1018725736.db2.gz SOJSHZGEAMKXGG-HXUWFJFHSA-N 1 3 310.441 3.574 20 0 DHADHO COC[C@@H](CC(C)C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000765454050 1018797404 /nfs/dbraw/zinc/79/74/04/1018797404.db2.gz XZHHUQKVRAZHHD-LJQANCHMSA-N 1 3 310.526 3.682 20 0 DHADHO COC[C@@H](CC(C)C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000765454050 1018797416 /nfs/dbraw/zinc/79/74/16/1018797416.db2.gz XZHHUQKVRAZHHD-LJQANCHMSA-N 1 3 310.526 3.682 20 0 DHADHO C[NH+]1C(C)(C)CC(N[C@H]2CSc3ccccc3C2)CC1(C)C ZINC001171630311 1032794413 /nfs/dbraw/zinc/79/44/13/1032794413.db2.gz MCQZSBBQLUVYQK-OAHLLOKOSA-N 1 3 318.530 3.944 20 0 DHADHO Cc1cc(CNCc2ccc(C[NH3+])cc2)ccc1C(F)(F)F ZINC000584173153 1018998235 /nfs/dbraw/zinc/99/82/35/1018998235.db2.gz VWTZQGYJZMUZPE-UHFFFAOYSA-N 1 3 308.347 3.762 20 0 DHADHO C[NH+]1C(C)(C)CC(NCCc2ccc(F)c(F)c2)CC1(C)C ZINC001171624786 1032806069 /nfs/dbraw/zinc/80/60/69/1032806069.db2.gz XQCZOJSFYUQRDR-UHFFFAOYSA-N 1 3 310.432 3.748 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@H]2CCc3ccccc3C2)CC1(C)C ZINC001171623117 1032806849 /nfs/dbraw/zinc/80/68/49/1032806849.db2.gz LAFWBYUFHHPUOL-KRWDZBQOSA-N 1 3 300.490 3.785 20 0 DHADHO CC1(C)SC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000338773820 1019166962 /nfs/dbraw/zinc/16/69/62/1019166962.db2.gz GECJQLSTVXAUCK-HQSKLWIPSA-N 1 3 316.514 3.666 20 0 DHADHO CC1(C)SC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000338773820 1019166966 /nfs/dbraw/zinc/16/69/66/1019166966.db2.gz GECJQLSTVXAUCK-HQSKLWIPSA-N 1 3 316.514 3.666 20 0 DHADHO CCOCCC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000090457390 1019391485 /nfs/dbraw/zinc/39/14/85/1019391485.db2.gz LEISCTJUTDVSOG-UHFFFAOYSA-N 1 3 322.537 3.970 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(-c4ccncc4)c3)CC[C@@H]21 ZINC000092043406 1019501886 /nfs/dbraw/zinc/50/18/86/1019501886.db2.gz JBPACQJKZGQMBW-RTWAWAEBSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc(-c4ccncc4)c3)CC[C@@H]21 ZINC000092043406 1019501896 /nfs/dbraw/zinc/50/18/96/1019501896.db2.gz JBPACQJKZGQMBW-RTWAWAEBSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc(-c4ccncc4)c3)CC[C@@H]21 ZINC000092043406 1019501901 /nfs/dbraw/zinc/50/19/01/1019501901.db2.gz JBPACQJKZGQMBW-RTWAWAEBSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)CC[C@@H]21 ZINC000092043406 1019501911 /nfs/dbraw/zinc/50/19/11/1019501911.db2.gz JBPACQJKZGQMBW-RTWAWAEBSA-N 1 3 321.468 3.665 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2scnc2C2CC2)CC1 ZINC000495078772 1019574883 /nfs/dbraw/zinc/57/48/83/1019574883.db2.gz KXPGLSCKVSTTDQ-UHFFFAOYSA-N 1 3 321.534 3.964 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2scnc2C2CC2)CC1 ZINC000495078772 1019574911 /nfs/dbraw/zinc/57/49/11/1019574911.db2.gz KXPGLSCKVSTTDQ-UHFFFAOYSA-N 1 3 321.534 3.964 20 0 DHADHO CCN1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000685421360 1019807854 /nfs/dbraw/zinc/80/78/54/1019807854.db2.gz VPQAZQPPUMLNGZ-KGLIPLIRSA-N 1 3 314.395 3.740 20 0 DHADHO C[C@@H](NC1(c2c(F)cccc2F)CCC1)C1CC[NH+](C)CC1 ZINC000624344547 1019855664 /nfs/dbraw/zinc/85/56/64/1019855664.db2.gz MRUJKMJEADIROE-CYBMUJFWSA-N 1 3 308.416 3.664 20 0 DHADHO C[C@H](NC1(c2c(F)cccc2F)CCC1)C1CC[NH+](C)CC1 ZINC000624344548 1019857414 /nfs/dbraw/zinc/85/74/14/1019857414.db2.gz MRUJKMJEADIROE-ZDUSSCGKSA-N 1 3 308.416 3.664 20 0 DHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC000708563982 1019882917 /nfs/dbraw/zinc/88/29/17/1019882917.db2.gz RBKIUFGFGQXFFC-YLJYHZDGSA-N 1 3 300.490 3.924 20 0 DHADHO Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1C ZINC000657612651 1019969626 /nfs/dbraw/zinc/96/96/26/1019969626.db2.gz NYXNSCBYVZNKPN-UHFFFAOYSA-N 1 3 323.484 3.700 20 0 DHADHO Cc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658167405 1020199870 /nfs/dbraw/zinc/19/98/70/1020199870.db2.gz OUXBBJRJVWRNDD-GOSISDBHSA-N 1 3 323.484 3.953 20 0 DHADHO C[C@@H](CC[NH2+][C@H]1CCCNc2ccccc21)N1CCCCC1 ZINC000193281394 1020393903 /nfs/dbraw/zinc/39/39/03/1020393903.db2.gz XUBKXLACGZKPND-LPHOPBHVSA-N 1 3 301.478 3.788 20 0 DHADHO CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@@H]1CCCCO1 ZINC000655849409 1020423442 /nfs/dbraw/zinc/42/34/42/1020423442.db2.gz OOCXBAUBZOBMDH-LMCOJAPRSA-N 1 3 322.537 3.967 20 0 DHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)[C@@H]1CCCCO1 ZINC000655849409 1020423446 /nfs/dbraw/zinc/42/34/46/1020423446.db2.gz OOCXBAUBZOBMDH-LMCOJAPRSA-N 1 3 322.537 3.967 20 0 DHADHO CN(C)C1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177023938 1020510202 /nfs/dbraw/zinc/51/02/02/1020510202.db2.gz XAQUTBIWIXXPIB-UHFFFAOYSA-N 1 3 314.395 3.664 20 0 DHADHO Clc1n[nH]c(C2CC2)c1CNCCCCC[NH+]1CCCCC1 ZINC000921738355 1020601288 /nfs/dbraw/zinc/60/12/88/1020601288.db2.gz RZLFFNHCAJRXTK-UHFFFAOYSA-N 1 3 324.900 3.686 20 0 DHADHO CC1(C)C[C@@H](NCCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC001171962090 1032932410 /nfs/dbraw/zinc/93/24/10/1032932410.db2.gz BHOLWMQRKRKIBL-SFHVURJKSA-N 1 3 312.457 3.855 20 0 DHADHO CC1(C)C[C@@H](NCCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC001171962090 1032932415 /nfs/dbraw/zinc/93/24/15/1032932415.db2.gz BHOLWMQRKRKIBL-SFHVURJKSA-N 1 3 312.457 3.855 20 0 DHADHO C[C@@H](NCCCC[NH+](C)C)c1csc(-c2ccccc2)n1 ZINC000414083963 1020863123 /nfs/dbraw/zinc/86/31/23/1020863123.db2.gz WSCDMLGRBLBQBU-CQSZACIVSA-N 1 3 303.475 3.803 20 0 DHADHO CC1(C)C[C@H]([NH2+]Cc2cccc(O)c2)CCN1Cc1ccccc1 ZINC001171967791 1032936755 /nfs/dbraw/zinc/93/67/55/1032936755.db2.gz NFAPZWAVVHCTGJ-LJQANCHMSA-N 1 3 324.468 3.925 20 0 DHADHO CN(C/C=C\C[N@H+](C)Cc1ccsc1)Cc1ccsc1 ZINC000613433016 1020956941 /nfs/dbraw/zinc/95/69/41/1020956941.db2.gz YGKAWTZDIMXBKJ-ARJAWSKDSA-N 1 3 306.500 3.930 20 0 DHADHO CN(C/C=C\C[N@@H+](C)Cc1ccsc1)Cc1ccsc1 ZINC000613433016 1020956950 /nfs/dbraw/zinc/95/69/50/1020956950.db2.gz YGKAWTZDIMXBKJ-ARJAWSKDSA-N 1 3 306.500 3.930 20 0 DHADHO CO[C@](C)([C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000414231594 1021018002 /nfs/dbraw/zinc/01/80/02/1021018002.db2.gz HJGPSEQCKINLKP-HNAYVOBHSA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@](C)([C@H](C)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000414231594 1021018007 /nfs/dbraw/zinc/01/80/07/1021018007.db2.gz HJGPSEQCKINLKP-HNAYVOBHSA-N 1 3 308.510 3.577 20 0 DHADHO COc1ccc([C@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)C2CC2)cc1 ZINC000091333247 1021277227 /nfs/dbraw/zinc/27/72/27/1021277227.db2.gz VFQUQQIYLCKUHH-OXJNMPFZSA-N 1 3 316.489 3.856 20 0 DHADHO COc1ccc([C@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)C2CC2)cc1 ZINC000091333247 1021277234 /nfs/dbraw/zinc/27/72/34/1021277234.db2.gz VFQUQQIYLCKUHH-OXJNMPFZSA-N 1 3 316.489 3.856 20 0 DHADHO COc1ccc([C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C2CC2)cc1 ZINC000091333247 1021277246 /nfs/dbraw/zinc/27/72/46/1021277246.db2.gz VFQUQQIYLCKUHH-OXJNMPFZSA-N 1 3 316.489 3.856 20 0 DHADHO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C2CC2)cc1 ZINC000091367783 1021280423 /nfs/dbraw/zinc/28/04/23/1021280423.db2.gz NAPKGBZFALKERV-ZIFCJYIRSA-N 1 3 302.462 3.609 20 0 DHADHO N[C@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1F ZINC001206154418 1032979178 /nfs/dbraw/zinc/97/91/78/1032979178.db2.gz IXQSOFVYKDOSPI-OALUTQOASA-N 1 3 314.404 3.740 20 0 DHADHO N[C@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1F ZINC001206154418 1032979187 /nfs/dbraw/zinc/97/91/87/1032979187.db2.gz IXQSOFVYKDOSPI-OALUTQOASA-N 1 3 314.404 3.740 20 0 DHADHO C[C@@H](N)c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172074431 1032981259 /nfs/dbraw/zinc/98/12/59/1032981259.db2.gz VHMMSUZGIQDIIK-YSHGAJCASA-N 1 3 324.472 3.661 20 0 DHADHO C[C@@H](N)c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172074431 1032981289 /nfs/dbraw/zinc/98/12/89/1032981289.db2.gz VHMMSUZGIQDIIK-YSHGAJCASA-N 1 3 324.472 3.661 20 0 DHADHO C[C@H](CC(C)(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850514909 1021573110 /nfs/dbraw/zinc/57/31/10/1021573110.db2.gz RVLXSUGZNZLUMT-MRXNPFEDSA-N 1 3 303.494 3.708 20 0 DHADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(C(F)(F)F)c1 ZINC000181617884 1021574534 /nfs/dbraw/zinc/57/45/34/1021574534.db2.gz KXUXRCYOKIONHR-IUODEOHRSA-N 1 3 300.368 3.840 20 0 DHADHO CCOc1ccccc1[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000892779104 1021613252 /nfs/dbraw/zinc/61/32/52/1021613252.db2.gz KQAULRNYLYAOAM-MMNRESRNSA-N 1 3 302.462 3.751 20 0 DHADHO CC1(C)CNCC[C@@H]1[NH2+]CCCc1ccc(C(F)(F)F)cc1 ZINC000643075757 1021622088 /nfs/dbraw/zinc/62/20/88/1021622088.db2.gz ABJKZYCDCVSYFJ-HNNXBMFYSA-N 1 3 314.395 3.616 20 0 DHADHO C[C@@H](N)c1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068381 1032993413 /nfs/dbraw/zinc/99/34/13/1032993413.db2.gz QKJVITOYPRMJDH-YSHGAJCASA-N 1 3 324.472 3.661 20 0 DHADHO C[C@@H](N)c1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068381 1032993421 /nfs/dbraw/zinc/99/34/21/1032993421.db2.gz QKJVITOYPRMJDH-YSHGAJCASA-N 1 3 324.472 3.661 20 0 DHADHO CCCN1CCC([N@H+](C)C/C=C\c2ccccc2OC)CC1 ZINC000254950024 1021774966 /nfs/dbraw/zinc/77/49/66/1021774966.db2.gz WCCZCCUTBJAVNS-CLFYSBASSA-N 1 3 302.462 3.515 20 0 DHADHO CCCN1CCC([N@@H+](C)C/C=C\c2ccccc2OC)CC1 ZINC000254950024 1021774982 /nfs/dbraw/zinc/77/49/82/1021774982.db2.gz WCCZCCUTBJAVNS-CLFYSBASSA-N 1 3 302.462 3.515 20 0 DHADHO CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000556589034 1021781446 /nfs/dbraw/zinc/78/14/46/1021781446.db2.gz HHDUDCZTYQZMJX-IRXDYDNUSA-N 1 3 304.478 3.858 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1cccnc1Cl)C1CC1)C2 ZINC001172110513 1033008995 /nfs/dbraw/zinc/00/89/95/1033008995.db2.gz NUXZRGMLZPPTTH-PNBKFKSVSA-N 1 3 319.880 3.791 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000556869356 1021911910 /nfs/dbraw/zinc/91/19/10/1021911910.db2.gz GXIIACHHAMNDJE-GJZGRUSLSA-N 1 3 310.432 3.607 20 0 DHADHO CC(C)CCN1CCC([NH2+][C@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000893098485 1021915371 /nfs/dbraw/zinc/91/53/71/1021915371.db2.gz PDKWEDKIJTWGGH-GOSISDBHSA-N 1 3 320.525 3.607 20 0 DHADHO C[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001205995962 1022183628 /nfs/dbraw/zinc/18/36/28/1022183628.db2.gz SISHRKKYDPIDNO-VXGBXAGGSA-N 1 3 318.358 3.651 20 0 DHADHO Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1C(F)(F)F ZINC001169098090 1022243420 /nfs/dbraw/zinc/24/34/20/1022243420.db2.gz FSGCPFLLMBMODK-QDMKHBRRSA-N 1 3 312.379 3.729 20 0 DHADHO CO[C@]1(C)C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000155128908 1022369593 /nfs/dbraw/zinc/36/95/93/1022369593.db2.gz RIDAVCMDSDGMKK-IEBWSBKVSA-N 1 3 308.510 3.577 20 0 DHADHO CCC[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000132736495 1033057871 /nfs/dbraw/zinc/05/78/71/1033057871.db2.gz NPRBYBWPIHNJJH-FXAWDEMLSA-N 1 3 316.489 3.618 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157052598 1022517483 /nfs/dbraw/zinc/51/74/83/1022517483.db2.gz ULNWCKGPBVOBHH-JKSUJKDBSA-N 1 3 304.478 3.856 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157052598 1022517493 /nfs/dbraw/zinc/51/74/93/1022517493.db2.gz ULNWCKGPBVOBHH-JKSUJKDBSA-N 1 3 304.478 3.856 20 0 DHADHO Cc1ccc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nc1 ZINC000157079209 1022519240 /nfs/dbraw/zinc/51/92/40/1022519240.db2.gz KQKMMMKTPFHUQU-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1ccc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nc1 ZINC000157079209 1022519246 /nfs/dbraw/zinc/51/92/46/1022519246.db2.gz KQKMMMKTPFHUQU-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H](c2cccc(F)c2)C(C)C)CC1 ZINC001172246707 1033065521 /nfs/dbraw/zinc/06/55/21/1033065521.db2.gz QJUMLXVXKCPVRR-LJQANCHMSA-N 1 3 322.468 3.613 20 0 DHADHO C[C@@H]1CN(Cc2csc(C(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001206024371 1022590246 /nfs/dbraw/zinc/59/02/46/1022590246.db2.gz IXKRCYSIHRHLPZ-PWSUYJOCSA-N 1 3 306.397 3.574 20 0 DHADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417324364 1022684652 /nfs/dbraw/zinc/68/46/52/1022684652.db2.gz CMNLBQQOLZWQRU-HRCADAONSA-N 1 3 306.519 3.952 20 0 DHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000584807370 1022759876 /nfs/dbraw/zinc/75/98/76/1022759876.db2.gz VTOJVZBOMFLZQD-YJVWJLORSA-N 1 3 308.416 3.673 20 0 DHADHO CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CCCCC1 ZINC000660256402 1022823604 /nfs/dbraw/zinc/82/36/04/1022823604.db2.gz LUKLUUMDBYMTSA-ILZDJORESA-N 1 3 322.537 3.824 20 0 DHADHO CO[C@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CCCCC1 ZINC000660256402 1022823624 /nfs/dbraw/zinc/82/36/24/1022823624.db2.gz LUKLUUMDBYMTSA-ILZDJORESA-N 1 3 322.537 3.824 20 0 DHADHO CO[C@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCCCC1 ZINC000660256402 1022823642 /nfs/dbraw/zinc/82/36/42/1022823642.db2.gz LUKLUUMDBYMTSA-ILZDJORESA-N 1 3 322.537 3.824 20 0 DHADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc(O)c(F)c1 ZINC000893327730 1022910963 /nfs/dbraw/zinc/91/09/63/1022910963.db2.gz NYJKMSVNWKOCRC-UHFFFAOYSA-N 1 3 316.420 3.661 20 0 DHADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc(O)c(F)c1 ZINC000893327730 1022910974 /nfs/dbraw/zinc/91/09/74/1022910974.db2.gz NYJKMSVNWKOCRC-UHFFFAOYSA-N 1 3 316.420 3.661 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000165315527 1022977825 /nfs/dbraw/zinc/97/78/25/1022977825.db2.gz QRKBBQMJJLUEDA-ZACQAIPSSA-N 1 3 304.478 3.509 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000165315399 1022977975 /nfs/dbraw/zinc/97/79/75/1022977975.db2.gz QRKBBQMJJLUEDA-BBWFWOEESA-N 1 3 304.478 3.509 20 0 DHADHO CCCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000294734124 1022986229 /nfs/dbraw/zinc/98/62/29/1022986229.db2.gz DMBGGJVMXUOJEW-AYHJJNSGSA-N 1 3 302.462 3.580 20 0 DHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@]1(C)CC1(Cl)Cl ZINC000859212766 1033100865 /nfs/dbraw/zinc/10/08/65/1033100865.db2.gz OSKAYRXBLYIHDW-HNNXBMFYSA-N 1 3 315.288 3.764 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000643514101 1033104887 /nfs/dbraw/zinc/10/48/87/1033104887.db2.gz XSQFYKMACXZDES-ZMZPIMSZSA-N 1 3 302.368 3.762 20 0 DHADHO CN1CC[C@]2(C1)CCC[N@H+](CCOc1ccc3ccccc3c1)C2 ZINC000660653549 1023364414 /nfs/dbraw/zinc/36/44/14/1023364414.db2.gz SOLFWLXKUVXYAE-NRFANRHFSA-N 1 3 324.468 3.636 20 0 DHADHO CN1CC[C@]2(C1)CCC[N@@H+](CCOc1ccc3ccccc3c1)C2 ZINC000660653549 1023364420 /nfs/dbraw/zinc/36/44/20/1023364420.db2.gz SOLFWLXKUVXYAE-NRFANRHFSA-N 1 3 324.468 3.636 20 0 DHADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C[C@@H]1C ZINC001172368895 1033148902 /nfs/dbraw/zinc/14/89/02/1033148902.db2.gz KJSLEFJQQKNPEZ-ZIFCJYIRSA-N 1 3 315.505 3.708 20 0 DHADHO CC[C@H](OCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000652235725 1023709777 /nfs/dbraw/zinc/70/97/77/1023709777.db2.gz QGKGBPZGGLCWLA-YRPNKDGESA-N 1 3 316.489 3.617 20 0 DHADHO CSC1(C[NH2+]C2CCN(CC3CCCCC3)CC2)CCC1 ZINC000788607938 1023912154 /nfs/dbraw/zinc/91/21/54/1023912154.db2.gz ZSCCRBPXXZODAS-UHFFFAOYSA-N 1 3 310.551 3.906 20 0 DHADHO CC[C@H](CC(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001172393205 1033176382 /nfs/dbraw/zinc/17/63/82/1033176382.db2.gz ISLMJEMSJGKPDJ-LJQANCHMSA-N 1 3 303.494 3.708 20 0 DHADHO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000876896698 1033178389 /nfs/dbraw/zinc/17/83/89/1033178389.db2.gz LBABJRKZKRGXSM-XFQAVAEZSA-N 1 3 318.442 3.564 20 0 DHADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(O)c1 ZINC000194840325 1024016437 /nfs/dbraw/zinc/01/64/37/1024016437.db2.gz MHEJONBXNVPOLM-MRXNPFEDSA-N 1 3 310.441 3.839 20 0 DHADHO CCCOc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000193507981 1024157293 /nfs/dbraw/zinc/15/72/93/1024157293.db2.gz JDVRBYRNJNJCKB-HOTGVXAUSA-N 1 3 302.462 3.610 20 0 DHADHO CCCOc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000193507981 1024157298 /nfs/dbraw/zinc/15/72/98/1024157298.db2.gz JDVRBYRNJNJCKB-HOTGVXAUSA-N 1 3 302.462 3.610 20 0 DHADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001170118983 1024161955 /nfs/dbraw/zinc/16/19/55/1024161955.db2.gz VLNXEJATRNWDKM-QAPCUYQASA-N 1 3 304.453 3.816 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3ccc(O)cc3)CC2)C1 ZINC000268841711 1024177663 /nfs/dbraw/zinc/17/76/63/1024177663.db2.gz ZRGNBIHAYUGVAQ-APWZRJJASA-N 1 3 316.489 3.567 20 0 DHADHO Cc1cc(N2CC[NH+]([C@@H]3CC[C@@H](C)C3)CC2)c2ccccc2n1 ZINC001170132843 1024274218 /nfs/dbraw/zinc/27/42/18/1024274218.db2.gz OGXBMBIDXGRRIX-NVXWUHKLSA-N 1 3 309.457 3.854 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000531714619 1024279613 /nfs/dbraw/zinc/27/96/13/1024279613.db2.gz BQEDPQUAOIQMLM-SJORKVTESA-N 1 3 309.457 3.741 20 0 DHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000531714619 1024279624 /nfs/dbraw/zinc/27/96/24/1024279624.db2.gz BQEDPQUAOIQMLM-SJORKVTESA-N 1 3 309.457 3.741 20 0 DHADHO c1cc(CN2CCC(C[NH2+][C@H]3CCCC4(CC4)C3)CC2)ccn1 ZINC000883234877 1024308597 /nfs/dbraw/zinc/30/85/97/1024308597.db2.gz ODXUQBYHBXNWDO-IBGZPJMESA-N 1 3 313.489 3.606 20 0 DHADHO c1ccc(CN2CC[C@H]([NH2+]Cc3cccnc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453061273 1024311375 /nfs/dbraw/zinc/31/13/75/1024311375.db2.gz SNPKHEPVVWKMNX-ACRUOGEOSA-N 1 3 321.468 3.614 20 0 DHADHO CC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CC(F)(F)C1 ZINC000883250649 1024320233 /nfs/dbraw/zinc/32/02/33/1024320233.db2.gz HWCIGYIERLDSJQ-UHFFFAOYSA-N 1 3 300.437 3.809 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccncc1 ZINC000453106315 1024334201 /nfs/dbraw/zinc/33/42/01/1024334201.db2.gz IQCPGDJMIIJTNZ-PZJWPPBQSA-N 1 3 323.484 3.687 20 0 DHADHO CC[C@H](NCC(C)(C)C[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000790749427 1024370171 /nfs/dbraw/zinc/37/01/71/1024370171.db2.gz DHCNMOGZXTVAKO-SFHVURJKSA-N 1 3 316.489 3.784 20 0 DHADHO FC(F)[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000663464219 1024398807 /nfs/dbraw/zinc/39/88/07/1024398807.db2.gz RDGIBZIVPQFNFR-KRWDZBQOSA-N 1 3 308.416 3.760 20 0 DHADHO Clc1csc(CNCCCCCCC[NH+]2CCCC2)n1 ZINC000877019845 1033208521 /nfs/dbraw/zinc/20/85/21/1033208521.db2.gz FPIPVQZWYXPKIT-UHFFFAOYSA-N 1 3 315.914 3.932 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000663466230 1024401456 /nfs/dbraw/zinc/40/14/56/1024401456.db2.gz PSASQULZODCZOI-HOCLYGCPSA-N 1 3 314.464 3.912 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000663466228 1024402719 /nfs/dbraw/zinc/40/27/19/1024402719.db2.gz PSASQULZODCZOI-GDBMZVCRSA-N 1 3 314.464 3.912 20 0 DHADHO C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466459 1024404851 /nfs/dbraw/zinc/40/48/51/1024404851.db2.gz TZAAELXVVNEVMR-YLJYHZDGSA-N 1 3 315.505 3.504 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@@H](C)c1ccccc1 ZINC000663467973 1024404946 /nfs/dbraw/zinc/40/49/46/1024404946.db2.gz JCJVDOYKZJKWQB-ZIFCJYIRSA-N 1 3 300.490 3.890 20 0 DHADHO FC1(F)CC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453210862 1024405687 /nfs/dbraw/zinc/40/56/87/1024405687.db2.gz MOYUUWDOFYNLDM-KURKYZTESA-N 1 3 320.427 3.817 20 0 DHADHO FC1(F)CC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453210862 1024405694 /nfs/dbraw/zinc/40/56/94/1024405694.db2.gz MOYUUWDOFYNLDM-KURKYZTESA-N 1 3 320.427 3.817 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453235197 1024419138 /nfs/dbraw/zinc/41/91/38/1024419138.db2.gz TYMBVWNZRCVADP-MDMSPXHWSA-N 1 3 320.427 3.673 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453235197 1024419143 /nfs/dbraw/zinc/41/91/43/1024419143.db2.gz TYMBVWNZRCVADP-MDMSPXHWSA-N 1 3 320.427 3.673 20 0 DHADHO CC(C)COCC[C@@H](C)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172454725 1033210883 /nfs/dbraw/zinc/21/08/83/1033210883.db2.gz BSFGFTFABJRTPI-MJGOQNOKSA-N 1 3 306.494 3.720 20 0 DHADHO [NH3+]CC[C@@H]1CCCCN1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883428601 1024434297 /nfs/dbraw/zinc/43/42/97/1024434297.db2.gz YBNIFEPQZIWAPY-IPMKNSEASA-N 1 3 302.462 3.500 20 0 DHADHO CSC1(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CCCCC1 ZINC000925778393 1024436855 /nfs/dbraw/zinc/43/68/55/1024436855.db2.gz VMOLEYJARSDYPP-ZDUSSCGKSA-N 1 3 307.507 3.565 20 0 DHADHO CC(C)Cc1cccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000925778610 1024438983 /nfs/dbraw/zinc/43/89/83/1024438983.db2.gz UDYVQFMTXVISCX-YOEHRIQHSA-N 1 3 310.432 3.781 20 0 DHADHO Cc1cc2c(cc1C)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3C)CCCO2 ZINC000453366864 1024490535 /nfs/dbraw/zinc/49/05/35/1024490535.db2.gz TURVPFIAGDRNFC-PHSGOXPASA-N 1 3 314.473 3.732 20 0 DHADHO CO[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000532237011 1024585931 /nfs/dbraw/zinc/58/59/31/1024585931.db2.gz SKJYAVLCQURKBH-QGZVFWFLSA-N 1 3 324.896 3.880 20 0 DHADHO CC[C@@H]1C[C@@H](N2CCC([NH3+])(c3cccc(Cl)c3)CC2)CCO1 ZINC001170198521 1024698215 /nfs/dbraw/zinc/69/82/15/1024698215.db2.gz XOBITIMZVHDEJW-DLBZAZTESA-N 1 3 322.880 3.547 20 0 DHADHO CC[C@@H]1C[C@@H](N2CCC([N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC001170223699 1024709689 /nfs/dbraw/zinc/70/96/89/1024709689.db2.gz QUIBLDQBKRCKCH-VQTJNVASSA-N 1 3 316.489 3.540 20 0 DHADHO CC[C@@H]1C[C@@H](N2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC001170223699 1024709697 /nfs/dbraw/zinc/70/96/97/1024709697.db2.gz QUIBLDQBKRCKCH-VQTJNVASSA-N 1 3 316.489 3.540 20 0 DHADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001168163620 1024733813 /nfs/dbraw/zinc/73/38/13/1024733813.db2.gz ARLXEZBXQJHEGO-AWEZNQCLSA-N 1 3 306.881 3.864 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3ccccc32)C[C@@H](C)O1 ZINC000162874266 1024917169 /nfs/dbraw/zinc/91/71/69/1024917169.db2.gz YVTLTIOYPQUOKT-MBOZVWFJSA-N 1 3 316.489 3.543 20 0 DHADHO CCc1ccc([C@@H](C)NCc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000120986743 1025068064 /nfs/dbraw/zinc/06/80/64/1025068064.db2.gz BUCNUWRJRDKJQL-CYBMUJFWSA-N 1 3 304.409 3.894 20 0 DHADHO COc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)c(C)c1OC ZINC000353457505 1025075574 /nfs/dbraw/zinc/07/55/74/1025075574.db2.gz ZLTVZUJLDCCUML-INIZCTEOSA-N 1 3 320.477 3.539 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000040622755 1025242441 /nfs/dbraw/zinc/24/24/41/1025242441.db2.gz JTYYTJMBLJTCTC-NXVRBGIVSA-N 1 3 306.881 3.906 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ccccc1-c1ccccc1 ZINC000539093430 1033271505 /nfs/dbraw/zinc/27/15/05/1033271505.db2.gz PRIXGXNFJPRURA-YLJYHZDGSA-N 1 3 324.468 3.662 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccccc1-c1ccccc1 ZINC000539093430 1033271515 /nfs/dbraw/zinc/27/15/15/1033271515.db2.gz PRIXGXNFJPRURA-YLJYHZDGSA-N 1 3 324.468 3.662 20 0 DHADHO Cc1ccncc1CNCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000279854302 1025291976 /nfs/dbraw/zinc/29/19/76/1025291976.db2.gz IPSVQECIFMKINU-UHFFFAOYSA-N 1 3 323.484 3.912 20 0 DHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CC1(Cl)Cl ZINC000859995596 1033281058 /nfs/dbraw/zinc/28/10/58/1033281058.db2.gz KUBSBUPBKNNSCM-HNNXBMFYSA-N 1 3 315.288 3.764 20 0 DHADHO CO[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000885954382 1025416969 /nfs/dbraw/zinc/41/69/69/1025416969.db2.gz WPUVLBUSAPKYTP-AZUAARDMSA-N 1 3 322.537 3.968 20 0 DHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000877314980 1033281599 /nfs/dbraw/zinc/28/15/99/1033281599.db2.gz GYEFPGZIPKBHSQ-QYWGDWMGSA-N 1 3 318.442 3.564 20 0 DHADHO CO[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000886008573 1025436528 /nfs/dbraw/zinc/43/65/28/1025436528.db2.gz PWVHVGOZRFPRCM-VQIMIIECSA-N 1 3 308.510 3.721 20 0 DHADHO Cc1nc2c(s1)[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)CCC2 ZINC000125629473 1025484380 /nfs/dbraw/zinc/48/43/80/1025484380.db2.gz KROIOIZEOVQVAJ-ZFWWWQNUSA-N 1 3 307.507 3.541 20 0 DHADHO Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CCC2 ZINC000125921723 1025498075 /nfs/dbraw/zinc/49/80/75/1025498075.db2.gz NVCBHOGCSAUNLR-LSDHHAIUSA-N 1 3 307.507 3.539 20 0 DHADHO CCc1nc2c(s1)[C@H]([NH2+]CC1(CN(C)C)CCCC1)CCC2 ZINC000355035903 1025588421 /nfs/dbraw/zinc/58/84/21/1025588421.db2.gz IYQVBRPYXDJSCO-CQSZACIVSA-N 1 3 321.534 3.795 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccncc1 ZINC000136601589 1025872130 /nfs/dbraw/zinc/87/21/30/1025872130.db2.gz UITKDPRQSRCCQM-LNLFQRSKSA-N 1 3 309.457 3.643 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccncc1 ZINC000136601556 1025873122 /nfs/dbraw/zinc/87/31/22/1025873122.db2.gz UITKDPRQSRCCQM-AOIWGVFYSA-N 1 3 309.457 3.643 20 0 DHADHO C[N@H+](CCCNCc1cccc2cc[nH]c21)Cc1ccccc1 ZINC000237084342 1026003176 /nfs/dbraw/zinc/00/31/76/1026003176.db2.gz WILONHPYFXAXPA-UHFFFAOYSA-N 1 3 307.441 3.780 20 0 DHADHO C[N@@H+](CCCNCc1cccc2cc[nH]c21)Cc1ccccc1 ZINC000237084342 1026003187 /nfs/dbraw/zinc/00/31/87/1026003187.db2.gz WILONHPYFXAXPA-UHFFFAOYSA-N 1 3 307.441 3.780 20 0 DHADHO C[N@@H+]1CCC[C@@H](CCNCc2cccc(Cl)c2Cl)C1 ZINC001308432677 1026055212 /nfs/dbraw/zinc/05/52/12/1026055212.db2.gz LIAFPLDJBREQAN-LBPRGKRZSA-N 1 3 301.261 3.815 20 0 DHADHO C[N@H+]1CCC[C@@H](CCNCc2cccc(Cl)c2Cl)C1 ZINC001308432677 1026055230 /nfs/dbraw/zinc/05/52/30/1026055230.db2.gz LIAFPLDJBREQAN-LBPRGKRZSA-N 1 3 301.261 3.815 20 0 DHADHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccnc1 ZINC000245659128 1026116925 /nfs/dbraw/zinc/11/69/25/1026116925.db2.gz FFKMSHBGOZOKCJ-RZXSNQJFSA-N 1 3 321.468 3.928 20 0 DHADHO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000532968427 1026152974 /nfs/dbraw/zinc/15/29/74/1026152974.db2.gz CUSVIBUAXVFEQB-AZUAARDMSA-N 1 3 300.490 3.816 20 0 DHADHO C[C@@H](CCc1ccccc1)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000532968427 1026152981 /nfs/dbraw/zinc/15/29/81/1026152981.db2.gz CUSVIBUAXVFEQB-AZUAARDMSA-N 1 3 300.490 3.816 20 0 DHADHO Cc1ccsc1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000513464344 1026514077 /nfs/dbraw/zinc/51/40/77/1026514077.db2.gz XCVSOYMHOMHMGN-UHFFFAOYSA-N 1 3 306.519 3.986 20 0 DHADHO Cc1ccsc1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000513464344 1026514084 /nfs/dbraw/zinc/51/40/84/1026514084.db2.gz XCVSOYMHOMHMGN-UHFFFAOYSA-N 1 3 306.519 3.986 20 0 DHADHO Cc1ccc(CNCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000513544744 1026537687 /nfs/dbraw/zinc/53/76/87/1026537687.db2.gz LWNAGSUBTSNWDX-LPHOPBHVSA-N 1 3 312.457 3.978 20 0 DHADHO Cc1ccc(CNCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000513544744 1026537695 /nfs/dbraw/zinc/53/76/95/1026537695.db2.gz LWNAGSUBTSNWDX-LPHOPBHVSA-N 1 3 312.457 3.978 20 0 DHADHO Cc1ccc(CNCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000513544745 1026538522 /nfs/dbraw/zinc/53/85/22/1026538522.db2.gz LWNAGSUBTSNWDX-QFBILLFUSA-N 1 3 312.457 3.978 20 0 DHADHO Cc1ccc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000513544745 1026538529 /nfs/dbraw/zinc/53/85/29/1026538529.db2.gz LWNAGSUBTSNWDX-QFBILLFUSA-N 1 3 312.457 3.978 20 0 DHADHO CN1CC[C@H]([NH2+]CCOc2ccc3ccccc3c2)[C@H]2CCC[C@H]21 ZINC000513656537 1026550490 /nfs/dbraw/zinc/55/04/90/1026550490.db2.gz UVXAFUJZCYACAO-QHAWAJNXSA-N 1 3 324.468 3.681 20 0 DHADHO COc1ccccc1-c1ccc(C[N@H+](C[C@H](C)N)C(C)C)cc1 ZINC000420296790 1026795038 /nfs/dbraw/zinc/79/50/38/1026795038.db2.gz DWWZFMYJXVYEFC-INIZCTEOSA-N 1 3 312.457 3.920 20 0 DHADHO COc1ccccc1-c1ccc(C[N@@H+](C[C@H](C)N)C(C)C)cc1 ZINC000420296790 1026795047 /nfs/dbraw/zinc/79/50/47/1026795047.db2.gz DWWZFMYJXVYEFC-INIZCTEOSA-N 1 3 312.457 3.920 20 0 DHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000420302872 1026799189 /nfs/dbraw/zinc/79/91/89/1026799189.db2.gz JUSUVJFKQYTRBW-FPOVZHCZSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000420302872 1026799212 /nfs/dbraw/zinc/79/92/12/1026799212.db2.gz JUSUVJFKQYTRBW-FPOVZHCZSA-N 1 3 324.468 3.883 20 0 DHADHO COc1ccc([C@@H](C[NH3+])CN(C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000420321325 1026803593 /nfs/dbraw/zinc/80/35/93/1026803593.db2.gz RGUQWRBBGHGSJM-PBHICJAKSA-N 1 3 316.420 3.570 20 0 DHADHO CC(C)Oc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1Cl ZINC000420325904 1026806946 /nfs/dbraw/zinc/80/69/46/1026806946.db2.gz CAJVOVZGXJRIES-UHFFFAOYSA-N 1 3 322.880 3.703 20 0 DHADHO C[C@H](c1ccccc1Cl)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420382068 1026811580 /nfs/dbraw/zinc/81/15/80/1026811580.db2.gz DILDKIQFNXDEED-SIIHOXLZSA-N 1 3 322.880 3.619 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421823967 1027056500 /nfs/dbraw/zinc/05/65/00/1027056500.db2.gz GEZLQRBYQWIEKL-KBPBESRZSA-N 1 3 312.860 3.732 20 0 DHADHO COc1ccc([C@@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)C(C)C)c(F)c1 ZINC000421820248 1027066128 /nfs/dbraw/zinc/06/61/28/1027066128.db2.gz LNKKPDLSYLWSQS-LIRRHRJNSA-N 1 3 320.452 3.605 20 0 DHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000561956509 1027142492 /nfs/dbraw/zinc/14/24/92/1027142492.db2.gz HRGURFJVPFUQJU-RBUKOAKNSA-N 1 3 323.569 3.549 20 0 DHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000561956509 1027142506 /nfs/dbraw/zinc/14/25/06/1027142506.db2.gz HRGURFJVPFUQJU-RBUKOAKNSA-N 1 3 323.569 3.549 20 0 DHADHO Cc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C1CC1 ZINC000422712381 1027300581 /nfs/dbraw/zinc/30/05/81/1027300581.db2.gz NXVJDAKOIATQAE-MGPUTAFESA-N 1 3 309.457 3.959 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000422749010 1027310176 /nfs/dbraw/zinc/31/01/76/1027310176.db2.gz WZYMYBVNAWMPPK-NWDGAFQWSA-N 1 3 303.837 3.914 20 0 DHADHO N[C@@H]1C[C@@H]([NH2+]CCSCc2ccccc2F)c2ccccc21 ZINC000422773660 1027314255 /nfs/dbraw/zinc/31/42/55/1027314255.db2.gz UMCMNMSWFRYCMB-QZTJIDSGSA-N 1 3 316.445 3.793 20 0 DHADHO [NH3+][C@H]1C[C@H](NCCCCOc2ccc(F)cc2)c2ccccc21 ZINC000422829758 1027334353 /nfs/dbraw/zinc/33/43/53/1027334353.db2.gz HXJVHLOAZWAYPX-OALUTQOASA-N 1 3 314.404 3.719 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCCCCOc2ccc(F)cc2)c2ccccc21 ZINC000422829759 1027336224 /nfs/dbraw/zinc/33/62/24/1027336224.db2.gz HXJVHLOAZWAYPX-RBUKOAKNSA-N 1 3 314.404 3.719 20 0 DHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)c1ccccc1F ZINC000422848786 1027339116 /nfs/dbraw/zinc/33/91/16/1027339116.db2.gz KKUXLUAFTTVSOI-HNAYVOBHSA-N 1 3 314.448 3.651 20 0 DHADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000422862930 1027343707 /nfs/dbraw/zinc/34/37/07/1027343707.db2.gz OFKYSRHEMXCETL-SFTDATJTSA-N 1 3 324.468 3.620 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1ccccc1F ZINC000422845896 1027347542 /nfs/dbraw/zinc/34/75/42/1027347542.db2.gz CXTBXCAWELDDKC-ZDUSSCGKSA-N 1 3 315.436 3.616 20 0 DHADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000422870376 1027352809 /nfs/dbraw/zinc/35/28/09/1027352809.db2.gz YRCCWSWWFSNIQS-LEWJYISDSA-N 1 3 324.468 3.620 20 0 DHADHO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423011736 1027389442 /nfs/dbraw/zinc/38/94/42/1027389442.db2.gz BLBGJFISCBXFQQ-RCUQFMMVSA-N 1 3 314.404 3.636 20 0 DHADHO CC[C@H](CSc1ccc(C)c(C)c1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423007874 1027391782 /nfs/dbraw/zinc/39/17/82/1027391782.db2.gz YWLWRDWASSVVMN-GVDBMIGSSA-N 1 3 306.519 3.762 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423095557 1027415441 /nfs/dbraw/zinc/41/54/41/1027415441.db2.gz FKPZFLMZYXTXOC-LYIQGSDWSA-N 1 3 301.261 3.955 20 0 DHADHO CCC(CC)[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000423043641 1027399382 /nfs/dbraw/zinc/39/93/82/1027399382.db2.gz PKUVUFORYHPGNJ-FDPIWHGQSA-N 1 3 302.462 3.705 20 0 DHADHO CC[C@H](N[C@H](C)C[C@H](C)[NH3+])c1cc(F)cc(Br)c1 ZINC000423062828 1027404410 /nfs/dbraw/zinc/40/44/10/1027404410.db2.gz NVOMBZDWYFWJEE-RBZYPMLTSA-N 1 3 317.246 3.755 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423125386 1027420921 /nfs/dbraw/zinc/42/09/21/1027420921.db2.gz HYSXSHHISSLDTR-TZMCWYRMSA-N 1 3 311.420 3.715 20 0 DHADHO CSc1ccc([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423107538 1027424192 /nfs/dbraw/zinc/42/41/92/1027424192.db2.gz SIRHYBWMBMFPCT-QWHCGFSZSA-N 1 3 315.486 3.982 20 0 DHADHO Clc1ccc(CC2(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC000423132220 1027425508 /nfs/dbraw/zinc/42/55/08/1027425508.db2.gz OWWRVWQQBWXGSJ-SJPCQFCGSA-N 1 3 304.865 3.678 20 0 DHADHO C[C@H](NCC1(c2cccc(Cl)c2)CCCCC1)C1C[NH2+]C1 ZINC000423147006 1027428315 /nfs/dbraw/zinc/42/83/15/1027428315.db2.gz BQMWSNFUVRGBGG-AWEZNQCLSA-N 1 3 306.881 3.739 20 0 DHADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423184548 1027439236 /nfs/dbraw/zinc/43/92/36/1027439236.db2.gz IHJNWTDEWKGPIH-AWEZNQCLSA-N 1 3 303.837 3.566 20 0 DHADHO NC1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCCC1 ZINC000423179950 1027442614 /nfs/dbraw/zinc/44/26/14/1027442614.db2.gz NAKFIQYIJBERTD-YJBOKZPZSA-N 1 3 320.452 3.545 20 0 DHADHO Fc1ccc(C[C@H](NC[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423218746 1027462382 /nfs/dbraw/zinc/46/23/82/1027462382.db2.gz VYPHGMRCBLUEHD-PXNSSMCTSA-N 1 3 312.432 3.699 20 0 DHADHO C[C@@H](C[NH3+])CN[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423293524 1027486522 /nfs/dbraw/zinc/48/65/22/1027486522.db2.gz ABRPCONSUZTHSH-FZMZJTMJSA-N 1 3 319.449 3.511 20 0 DHADHO Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423277522 1027494580 /nfs/dbraw/zinc/49/45/80/1027494580.db2.gz OJBIXCNNIHLBGT-FPMFFAJLSA-N 1 3 309.523 3.917 20 0 DHADHO C[C@H](C[NH3+])CN[C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000423316371 1027501218 /nfs/dbraw/zinc/50/12/18/1027501218.db2.gz ZZGMHUMXPSLCQM-DOMZBBRYSA-N 1 3 308.878 3.870 20 0 DHADHO CCCC[C@H](C[NH3+])N[C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423297558 1027501979 /nfs/dbraw/zinc/50/19/79/1027501979.db2.gz KVBPLHHSSDZPRJ-MGPQQGTHSA-N 1 3 305.491 3.895 20 0 DHADHO COc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1F ZINC000423295318 1027503598 /nfs/dbraw/zinc/50/35/98/1027503598.db2.gz WLNIHMZGIMLGCY-STQMWFEESA-N 1 3 302.393 3.705 20 0 DHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC[C@H](C)C[NH3+] ZINC000423295768 1027504584 /nfs/dbraw/zinc/50/45/84/1027504584.db2.gz FOYBVMAZJAUWGJ-GHMZBOCLSA-N 1 3 307.438 3.503 20 0 DHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC1(N)CCC1 ZINC000423325704 1027510475 /nfs/dbraw/zinc/51/04/75/1027510475.db2.gz LIFBGZPITQXZMP-LLVKDONJSA-N 1 3 319.449 3.790 20 0 DHADHO Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423374207 1027517968 /nfs/dbraw/zinc/51/79/68/1027517968.db2.gz IBAOJKHKEZRBOK-IBGZPJMESA-N 1 3 308.425 3.602 20 0 DHADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000423369011 1027523791 /nfs/dbraw/zinc/52/37/91/1027523791.db2.gz DRAXKJYDXDOACT-DRZSPHRISA-N 1 3 302.340 3.506 20 0 DHADHO C[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)cc(F)c1 ZINC000296042201 1027525678 /nfs/dbraw/zinc/52/56/78/1027525678.db2.gz OBFRDYHOHPMSIU-GUPASQGTSA-N 1 3 308.416 3.625 20 0 DHADHO C[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(F)c1 ZINC000296042201 1027525689 /nfs/dbraw/zinc/52/56/89/1027525689.db2.gz OBFRDYHOHPMSIU-GUPASQGTSA-N 1 3 308.416 3.625 20 0 DHADHO CC(C)[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423384679 1027528853 /nfs/dbraw/zinc/52/88/53/1027528853.db2.gz GGHDSJCYAULUDI-KCXAZCMYSA-N 1 3 314.395 3.990 20 0 DHADHO Cc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CCCO2 ZINC000423375746 1027534148 /nfs/dbraw/zinc/53/41/48/1027534148.db2.gz IUYKMYQWTYQTFR-IBGZPJMESA-N 1 3 308.425 3.602 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423409335 1027541497 /nfs/dbraw/zinc/54/14/97/1027541497.db2.gz YSVUIKXUGFRFKX-KCXAZCMYSA-N 1 3 300.471 3.866 20 0 DHADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCCc2c3ccccc3sc21 ZINC000423409335 1027541506 /nfs/dbraw/zinc/54/15/06/1027541506.db2.gz YSVUIKXUGFRFKX-KCXAZCMYSA-N 1 3 300.471 3.866 20 0 DHADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423452405 1027546215 /nfs/dbraw/zinc/54/62/15/1027546215.db2.gz WFJFAHHTNOVJMJ-ILXRZTDVSA-N 1 3 316.420 3.791 20 0 DHADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)N ZINC000423452113 1027546327 /nfs/dbraw/zinc/54/63/27/1027546327.db2.gz VYMMTUZGTWOUFL-VWYCJHECSA-N 1 3 307.438 3.644 20 0 DHADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423440114 1027552972 /nfs/dbraw/zinc/55/29/72/1027552972.db2.gz ANXJMHNBVNCTDA-UONOGXRCSA-N 1 3 301.459 3.514 20 0 DHADHO Cc1cc(N)cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000423471876 1027559523 /nfs/dbraw/zinc/55/95/23/1027559523.db2.gz FOMYVSRTUKRJGG-YLJYHZDGSA-N 1 3 323.484 3.577 20 0 DHADHO Cc1cc(N)cc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000423471876 1027559534 /nfs/dbraw/zinc/55/95/34/1027559534.db2.gz FOMYVSRTUKRJGG-YLJYHZDGSA-N 1 3 323.484 3.577 20 0 DHADHO Cc1cc(N)cc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000423471876 1027559541 /nfs/dbraw/zinc/55/95/41/1027559541.db2.gz FOMYVSRTUKRJGG-YLJYHZDGSA-N 1 3 323.484 3.577 20 0 DHADHO CC(C)C1CC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000423480859 1027560967 /nfs/dbraw/zinc/56/09/67/1027560967.db2.gz WEHPKIXECPNQQX-DHRZBBNESA-N 1 3 304.453 3.543 20 0 DHADHO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1OCCC ZINC000423453001 1027565190 /nfs/dbraw/zinc/56/51/90/1027565190.db2.gz WYJKCJYLZOIVDH-KKUMJFAQSA-N 1 3 308.466 3.651 20 0 DHADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423509334 1027575150 /nfs/dbraw/zinc/57/51/50/1027575150.db2.gz JMMBOCCBBANMKM-KDJJVYBXSA-N 1 3 306.453 3.524 20 0 DHADHO C[C@@H](CCc1ccsc1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423517228 1027576350 /nfs/dbraw/zinc/57/63/50/1027576350.db2.gz BHWGKVXKUFFQAK-RLWQEURSSA-N 1 3 318.530 3.812 20 0 DHADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000423539736 1027582984 /nfs/dbraw/zinc/58/29/84/1027582984.db2.gz PFABIORGBPOVOQ-CQSZACIVSA-N 1 3 313.470 3.771 20 0 DHADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562775604 1027599350 /nfs/dbraw/zinc/59/93/50/1027599350.db2.gz VBXSWFXHQJCNRU-ZBFHGGJFSA-N 1 3 312.379 3.622 20 0 DHADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562775604 1027599355 /nfs/dbraw/zinc/59/93/55/1027599355.db2.gz VBXSWFXHQJCNRU-ZBFHGGJFSA-N 1 3 312.379 3.622 20 0 DHADHO Cc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccn1 ZINC000527666394 1027814587 /nfs/dbraw/zinc/81/45/87/1027814587.db2.gz NLGVMIFUWVLZRK-FUHWJXTLSA-N 1 3 315.486 3.624 20 0 DHADHO Cc1cc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccn1 ZINC000527666394 1027814608 /nfs/dbraw/zinc/81/46/08/1027814608.db2.gz NLGVMIFUWVLZRK-FUHWJXTLSA-N 1 3 315.486 3.624 20 0 DHADHO CC(C)CC[NH+]1CCC(CNCc2ccncc2Cl)CC1 ZINC000527671432 1027817672 /nfs/dbraw/zinc/81/76/72/1027817672.db2.gz RMGFZAFYCVGPJT-UHFFFAOYSA-N 1 3 309.885 3.583 20 0 DHADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@H]1OCCc2sccc21 ZINC000366527954 1028094434 /nfs/dbraw/zinc/09/44/34/1028094434.db2.gz JWVIGMQOPRDXEK-SUMWQHHRSA-N 1 3 322.518 3.603 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000578617379 1028196389 /nfs/dbraw/zinc/19/63/89/1028196389.db2.gz JWTMJFFWDQUOJL-SNRMKQJTSA-N 1 3 323.484 3.911 20 0 DHADHO FC(F)(F)C1(C[NH2+]C2CCN(C3CCCC3)CC2)CCC1 ZINC000367533464 1028198260 /nfs/dbraw/zinc/19/82/60/1028198260.db2.gz LEIXYWJHYVADQD-UHFFFAOYSA-N 1 3 304.400 3.716 20 0 DHADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC000578871225 1028262887 /nfs/dbraw/zinc/26/28/87/1028262887.db2.gz ULFVYMMQHRXENU-HOJAQTOUSA-N 1 3 300.490 3.951 20 0 DHADHO CC(C)CCOc1ccc(CNCc2ccc(C[NH3+])cc2)cc1 ZINC000578988219 1028294036 /nfs/dbraw/zinc/29/40/36/1028294036.db2.gz ODRRGSAJWKHDBV-UHFFFAOYSA-N 1 3 312.457 3.860 20 0 DHADHO c1ccc2c(c1)-c1ccccc1C2N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579007952 1028299427 /nfs/dbraw/zinc/29/94/27/1028299427.db2.gz IRQAUSZQVUNXEU-NRFANRHFSA-N 1 3 304.437 3.832 20 0 DHADHO C[C@@H](Cn1ccnc1)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449079218 1028339589 /nfs/dbraw/zinc/33/95/89/1028339589.db2.gz XWXJGDRQVMFEAQ-INIZCTEOSA-N 1 3 320.525 3.540 20 0 DHADHO C[NH+](C)CCOc1cccc(CNCc2cccc3ccoc32)c1 ZINC000449091079 1028362759 /nfs/dbraw/zinc/36/27/59/1028362759.db2.gz PGNQSANYJDIXPH-UHFFFAOYSA-N 1 3 324.424 3.663 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CNCc2cccc3c(OC)cccc23)C1 ZINC000449095111 1028369034 /nfs/dbraw/zinc/36/90/34/1028369034.db2.gz WGVRVWIJIJHMJO-INIZCTEOSA-N 1 3 312.457 3.670 20 0 DHADHO CCC[N@H+]1CC[C@@H](CNCc2cccc3c(OC)cccc23)C1 ZINC000449095111 1028369050 /nfs/dbraw/zinc/36/90/50/1028369050.db2.gz WGVRVWIJIJHMJO-INIZCTEOSA-N 1 3 312.457 3.670 20 0 DHADHO CSCC1CCC([NH2+]C[C@H]2CCCN(CC(C)C)C2)CC1 ZINC000449208783 1028446025 /nfs/dbraw/zinc/44/60/25/1028446025.db2.gz OJBWAPTXRQTGGG-LXPRWKDFSA-N 1 3 312.567 3.866 20 0 DHADHO C[C@@H](CN1CCCC12CC[NH+](C)CC2)c1cc(F)cc(F)c1 ZINC000449266253 1028495208 /nfs/dbraw/zinc/49/52/08/1028495208.db2.gz UNRUKPCOAPEGCS-AWEZNQCLSA-N 1 3 308.416 3.629 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1cncc(F)c1 ZINC000369854752 1028539660 /nfs/dbraw/zinc/53/96/60/1028539660.db2.gz ZVWBRAZLDHFANZ-URLQWDBASA-N 1 3 313.420 3.564 20 0 DHADHO C[C@H]1CC(C[NH2+]C2CCN(CC3CCCCC3)CC2)C[C@H](C)O1 ZINC000369862714 1028542392 /nfs/dbraw/zinc/54/23/92/1028542392.db2.gz JUZGESSZMVZHNT-IRXDYDNUSA-N 1 3 322.537 3.824 20 0 DHADHO CCN(CC)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000565227004 1028560420 /nfs/dbraw/zinc/56/04/20/1028560420.db2.gz SWPBRYJDHYTVDG-RLFYNMQTSA-N 1 3 323.912 3.582 20 0 DHADHO c1ccc(C[N@H+]2CCC3(C2)CCN(Cc2ccccn2)CC3)cc1 ZINC000371354056 1028694539 /nfs/dbraw/zinc/69/45/39/1028694539.db2.gz KPLSNCVCTPGRPV-UHFFFAOYSA-N 1 3 321.468 3.570 20 0 DHADHO c1ccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccccn2)CC3)cc1 ZINC000371354056 1028694556 /nfs/dbraw/zinc/69/45/56/1028694556.db2.gz KPLSNCVCTPGRPV-UHFFFAOYSA-N 1 3 321.468 3.570 20 0 DHADHO C[C@@H](NC1CC[NH+](CCc2ccncc2)CC1)c1ccsc1 ZINC000372064423 1028802573 /nfs/dbraw/zinc/80/25/73/1028802573.db2.gz CWELZCCDMSECAX-OAHLLOKOSA-N 1 3 315.486 3.501 20 0 DHADHO C[C@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCO[C@@H]1C1CC1 ZINC000372097501 1028807312 /nfs/dbraw/zinc/80/73/12/1028807312.db2.gz ZUUSHDFMSYNQBZ-WOJBJXKFSA-N 1 3 320.521 3.578 20 0 DHADHO C[C@H](N[C@H]1C[C@H]1c1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411520835 1029148611 /nfs/dbraw/zinc/14/86/11/1029148611.db2.gz XCNJWNTUMXHIJH-ZXUOCUECSA-N 1 3 316.464 3.924 20 0 DHADHO C[C@H](N[C@H]1C[C@H]1c1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411520835 1029148619 /nfs/dbraw/zinc/14/86/19/1029148619.db2.gz XCNJWNTUMXHIJH-ZXUOCUECSA-N 1 3 316.464 3.924 20 0 DHADHO C[C@H]([NH2+][C@H]1C[C@H]1c1cccc(F)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000411520835 1029148627 /nfs/dbraw/zinc/14/86/27/1029148627.db2.gz XCNJWNTUMXHIJH-ZXUOCUECSA-N 1 3 316.464 3.924 20 0 DHADHO [NH3+]C[C@@H]1CC[C@@H](NCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000569199918 1029193979 /nfs/dbraw/zinc/19/39/79/1029193979.db2.gz ARCXAJZKJHPTQT-BXUZGUMPSA-N 1 3 321.877 3.681 20 0 DHADHO N[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)c2ccccc21 ZINC000817895612 1029270669 /nfs/dbraw/zinc/27/06/69/1029270669.db2.gz ZJSBZRYVJXCZIR-NJYVYQBISA-N 1 3 322.452 3.889 20 0 DHADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1nccc2ccccc21 ZINC000817947873 1029287550 /nfs/dbraw/zinc/28/75/50/1029287550.db2.gz DGNFGYWNGOOTHS-OAHLLOKOSA-N 1 3 305.425 3.587 20 0 DHADHO COc1cccc2cc([C@@H](C)NCc3ccc(CC[NH3+])cc3)oc21 ZINC000817947232 1029291170 /nfs/dbraw/zinc/29/11/70/1029291170.db2.gz AOEFTYNSCRJIEO-CQSZACIVSA-N 1 3 324.424 3.793 20 0 DHADHO C[C@@H]([NH2+][C@H]1CCCc2cc(SC(F)F)ccc21)[C@H](C)N ZINC000817978226 1029317447 /nfs/dbraw/zinc/31/74/47/1029317447.db2.gz YROMGNYXWZJOQM-RBZYPMLTSA-N 1 3 300.418 3.704 20 0 DHADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)nc1 ZINC000817980899 1029318487 /nfs/dbraw/zinc/31/84/87/1029318487.db2.gz FPNFOYJDUBLPKA-CJNGLKHVSA-N 1 3 303.837 3.866 20 0 DHADHO Cc1cncc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000629527931 1029357947 /nfs/dbraw/zinc/35/79/47/1029357947.db2.gz JTKYTMGFBQMFEN-SFTDATJTSA-N 1 3 323.484 3.562 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CC23CC3)ccc1OC ZINC000818356279 1029382943 /nfs/dbraw/zinc/38/29/43/1029382943.db2.gz MXOROIFPEHIRPE-RDTXWAMCSA-N 1 3 302.462 3.740 20 0 DHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170948499 1029733731 /nfs/dbraw/zinc/73/37/31/1029733731.db2.gz HMUQJCJUGCOCGL-JFIYKMOQSA-N 1 3 318.480 3.641 20 0 DHADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001170955118 1029787030 /nfs/dbraw/zinc/78/70/30/1029787030.db2.gz FKFZKCMXQOMPGM-OAHLLOKOSA-N 1 3 304.453 3.663 20 0 DHADHO CC1(C)CC([NH3+])CC(C)(C)N1[C@@H]1CCc2cccc(F)c2C1 ZINC001170955118 1029787036 /nfs/dbraw/zinc/78/70/36/1029787036.db2.gz FKFZKCMXQOMPGM-OAHLLOKOSA-N 1 3 304.453 3.663 20 0 DHADHO CCSCCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121808364 1029858896 /nfs/dbraw/zinc/85/88/96/1029858896.db2.gz HHYFLMMGECPEIG-SJLPKXTDSA-N 1 3 306.519 3.724 20 0 DHADHO CCSCCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121808364 1029858904 /nfs/dbraw/zinc/85/89/04/1029858904.db2.gz HHYFLMMGECPEIG-SJLPKXTDSA-N 1 3 306.519 3.724 20 0 DHADHO Fc1cccc2c1C[C@@H](N[C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC001170977697 1029939673 /nfs/dbraw/zinc/93/96/73/1029939673.db2.gz ZPNMQINZAXOYSK-DLBZAZTESA-N 1 3 316.464 3.680 20 0 DHADHO Fc1cccc2c1C[C@@H](N[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC001170977697 1029939690 /nfs/dbraw/zinc/93/96/90/1029939690.db2.gz ZPNMQINZAXOYSK-DLBZAZTESA-N 1 3 316.464 3.680 20 0 DHADHO Fc1cccc(CCNC2CC[NH+](C3CCCCC3)CC2)c1F ZINC000557267553 1030075595 /nfs/dbraw/zinc/07/55/95/1030075595.db2.gz FTZJYSOQLAYGEM-UHFFFAOYSA-N 1 3 322.443 3.894 20 0 DHADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccc(C)cc1 ZINC000924546035 1030119518 /nfs/dbraw/zinc/11/95/18/1030119518.db2.gz FTSGQJSLPWCQTL-NXEWRWPSSA-N 1 3 316.489 3.678 20 0 DHADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccc(C)cc1 ZINC000924546035 1030119523 /nfs/dbraw/zinc/11/95/23/1030119523.db2.gz FTSGQJSLPWCQTL-NXEWRWPSSA-N 1 3 316.489 3.678 20 0 DHADHO COCc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924611588 1030138535 /nfs/dbraw/zinc/13/85/35/1030138535.db2.gz YIZVWUPUOHGMBK-MRXNPFEDSA-N 1 3 312.457 3.745 20 0 DHADHO CC1CC[NH+](CCCCN[C@@H]2CCc3c2nccc3Cl)CC1 ZINC000924681032 1030157884 /nfs/dbraw/zinc/15/78/84/1030157884.db2.gz KNFOGVAFMDQABC-QGZVFWFLSA-N 1 3 321.896 3.824 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171013895 1030259127 /nfs/dbraw/zinc/25/91/27/1030259127.db2.gz RSIUPNYCBHYAFP-KRWDZBQOSA-N 1 3 320.908 3.909 20 0 DHADHO Cc1ncc2c(n1)CCC[C@H]2N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925082240 1030267573 /nfs/dbraw/zinc/26/75/73/1030267573.db2.gz IRSCRDMLXDMSTG-IFXJQAMLSA-N 1 3 324.472 3.575 20 0 DHADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1 ZINC000358049349 1030300222 /nfs/dbraw/zinc/30/02/22/1030300222.db2.gz RELZGRLFYXYFCS-WSTZPKSXSA-N 1 3 318.505 3.925 20 0 DHADHO CC(C)[NH+]1CCC(CCN[C@H](C)c2cccnc2Cl)CC1 ZINC000866468067 1030311230 /nfs/dbraw/zinc/31/12/30/1030311230.db2.gz ZMGNRTDCEBQBIH-CQSZACIVSA-N 1 3 309.885 3.896 20 0 DHADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C[C@H](C)O1 ZINC000823747568 1030383463 /nfs/dbraw/zinc/38/34/63/1030383463.db2.gz FLWQSTOOKXKKRJ-MNZLEMJZSA-N 1 3 308.510 3.577 20 0 DHADHO c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925532007 1030389745 /nfs/dbraw/zinc/38/97/45/1030389745.db2.gz UIBRDVQONIJBDP-WOJBJXKFSA-N 1 3 323.484 3.535 20 0 DHADHO CCOCCC1(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CCCC1 ZINC000925556127 1030401244 /nfs/dbraw/zinc/40/12/44/1030401244.db2.gz KLTDBXSPADSEHX-MOPGFXCFSA-N 1 3 322.537 3.731 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCCc2nc(C3CCCCC3)cs2)C12CCC2 ZINC000925571744 1030408993 /nfs/dbraw/zinc/40/89/93/1030408993.db2.gz NIHZLFFVBGXTSI-HZPDHXFCSA-N 1 3 319.518 3.593 20 0 DHADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925662544 1030445294 /nfs/dbraw/zinc/44/52/94/1030445294.db2.gz JDCBFIKLJNYHJU-JOMSHVRNSA-N 1 3 304.865 3.705 20 0 DHADHO c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925678407 1030449997 /nfs/dbraw/zinc/44/99/97/1030449997.db2.gz DSTIHOKVVGZWJY-CGTJXYLNSA-N 1 3 316.514 3.634 20 0 DHADHO CC(C)(C)c1ccncc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925697957 1030458727 /nfs/dbraw/zinc/45/87/27/1030458727.db2.gz QAYXEVHNSNLWKH-IBGZPJMESA-N 1 3 311.473 3.949 20 0 DHADHO C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(C(F)(F)F)nc1 ZINC000925733152 1030470357 /nfs/dbraw/zinc/47/03/57/1030470357.db2.gz SXHGGXMRUSEILX-WCFLWFBJSA-N 1 3 315.383 3.657 20 0 DHADHO C[C@H](NCCC(C)(C)[NH3+])c1ccc(SCC(F)F)cc1 ZINC000925739620 1030472050 /nfs/dbraw/zinc/47/20/50/1030472050.db2.gz ANBRSRQSZTYHAU-NSHDSACASA-N 1 3 302.434 3.822 20 0 DHADHO COc1cc([C@@H](C)NCCC(C)(C)[NH3+])ccc1SC(F)F ZINC000925741264 1030474246 /nfs/dbraw/zinc/47/42/46/1030474246.db2.gz OEHCWMXEOPYUPO-SNVBAGLBSA-N 1 3 318.433 3.788 20 0 DHADHO CC(C)[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc2ccccc2o1 ZINC000925780394 1030494447 /nfs/dbraw/zinc/49/44/47/1030494447.db2.gz FNMQHQKGPHULKD-RHSMWYFYSA-N 1 3 322.399 3.964 20 0 DHADHO FC1(F)CCNC[C@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000925786969 1030498413 /nfs/dbraw/zinc/49/84/13/1030498413.db2.gz YHIZHFBHISCNKY-ZFWWWQNUSA-N 1 3 314.807 3.626 20 0 DHADHO FC1(F)CC[NH2+]C[C@@H]1CN[C@@H](c1cccs1)C1CCCC1 ZINC000925787241 1030499150 /nfs/dbraw/zinc/49/91/50/1030499150.db2.gz ZKGCTELREWNFBI-UKRRQHHQSA-N 1 3 314.445 3.814 20 0 DHADHO [NH3+][C@@H]1CC[C@H](CN[C@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000925881659 1030531289 /nfs/dbraw/zinc/53/12/89/1030531289.db2.gz DFMRXWIMPYPDGB-NQYLQCIDSA-N 1 3 321.424 3.634 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246900490 1030662363 /nfs/dbraw/zinc/66/23/63/1030662363.db2.gz FVJOXIRTJLPQGG-IAGOWNOFSA-N 1 3 309.457 3.741 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246900490 1030662371 /nfs/dbraw/zinc/66/23/71/1030662371.db2.gz FVJOXIRTJLPQGG-IAGOWNOFSA-N 1 3 309.457 3.741 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246900490 1030662376 /nfs/dbraw/zinc/66/23/76/1030662376.db2.gz FVJOXIRTJLPQGG-IAGOWNOFSA-N 1 3 309.457 3.741 20 0 DHADHO Cc1ccc([C@H](NCCCC[N@@H+](C)C2CC2)c2ccccn2)cc1 ZINC000926559131 1030798118 /nfs/dbraw/zinc/79/81/18/1030798118.db2.gz MFWFDIPBSOJQCZ-NRFANRHFSA-N 1 3 323.484 3.943 20 0 DHADHO Cc1ccc([C@H](NCCCC[N@H+](C)C2CC2)c2ccccn2)cc1 ZINC000926559131 1030798135 /nfs/dbraw/zinc/79/81/35/1030798135.db2.gz MFWFDIPBSOJQCZ-NRFANRHFSA-N 1 3 323.484 3.943 20 0 DHADHO Cc1ccc([C@@H](NCCCC[N@@H+](C)C2CC2)c2ccccn2)cc1 ZINC000926559135 1030798919 /nfs/dbraw/zinc/79/89/19/1030798919.db2.gz MFWFDIPBSOJQCZ-OAQYLSRUSA-N 1 3 323.484 3.943 20 0 DHADHO Cc1ccc([C@@H](NCCCC[N@H+](C)C2CC2)c2ccccn2)cc1 ZINC000926559135 1030798937 /nfs/dbraw/zinc/79/89/37/1030798937.db2.gz MFWFDIPBSOJQCZ-OAQYLSRUSA-N 1 3 323.484 3.943 20 0 DHADHO C[C@H](NCc1ccc2c(c1)C[C@H](C)O2)c1cccc(C[NH+](C)C)c1 ZINC000926920212 1030993872 /nfs/dbraw/zinc/99/38/72/1030993872.db2.gz PPUQUXZXZFFGIS-HOTGVXAUSA-N 1 3 324.468 3.922 20 0 DHADHO Cc1c[nH+]ccc1NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000359562721 1031031127 /nfs/dbraw/zinc/03/11/27/1031031127.db2.gz GYVPDMYFESOJJS-MRXNPFEDSA-N 1 3 323.362 3.546 20 0 DHADHO C[C@H](NC1CCC(C)([NH+]2CCC2)CC1)c1ccncc1Cl ZINC000927036505 1031044338 /nfs/dbraw/zinc/04/43/38/1031044338.db2.gz IJLWGQOVWXBGSA-CBCUQQMYSA-N 1 3 307.869 3.793 20 0 DHADHO Cc1c(CN2CCC3(C[NH+](C)C3)CC2)cccc1C(F)(F)F ZINC001143930687 1031104893 /nfs/dbraw/zinc/10/48/93/1031104893.db2.gz TXYDTDADHYPJJL-UHFFFAOYSA-N 1 3 312.379 3.541 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2cccc(C)n2)CC1 ZINC000359877693 1031177799 /nfs/dbraw/zinc/17/77/99/1031177799.db2.gz QEXIUKTWUWTDAG-UHFFFAOYSA-N 1 3 303.494 3.724 20 0 DHADHO C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCCCO1 ZINC000347401813 1031224024 /nfs/dbraw/zinc/22/40/24/1031224024.db2.gz SGWATBOOYXILFJ-OALUTQOASA-N 1 3 308.510 3.534 20 0 DHADHO CCC[C@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000360430053 1031424045 /nfs/dbraw/zinc/42/40/45/1031424045.db2.gz VTDOBSSJKHMIEE-LPHOPBHVSA-N 1 3 304.478 3.858 20 0 DHADHO [NH3+][C@H](C[C@H]1CCCN(Cc2cc(C3CC3)no2)C1)C1CCCC1 ZINC000872158629 1031542091 /nfs/dbraw/zinc/54/20/91/1031542091.db2.gz WKIWJFWSVTYXTL-RDTXWAMCSA-N 1 3 317.477 3.672 20 0 DHADHO CCc1onc(C)c1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000930080793 1031693225 /nfs/dbraw/zinc/69/32/25/1031693225.db2.gz XVAKRIDDYJTFII-UHFFFAOYSA-N 1 3 319.493 3.633 20 0 DHADHO c1cc([C@H]2CCCN2Cc2cc3c(s2)CC[NH2+]C3)cs1 ZINC000873202974 1031758858 /nfs/dbraw/zinc/75/88/58/1031758858.db2.gz KHFXHAPPPLMLBM-OAHLLOKOSA-N 1 3 304.484 3.792 20 0 DHADHO COc1ccc([C@@H](C)N(C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873202585 1031758943 /nfs/dbraw/zinc/75/89/43/1031758943.db2.gz UCIINFDJILDWLA-CYBMUJFWSA-N 1 3 316.470 3.595 20 0 DHADHO CC(C)(C)[C@]1(CN)CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000873223688 1031764787 /nfs/dbraw/zinc/76/47/87/1031764787.db2.gz RDTKNBKZWNXJKE-NRFANRHFSA-N 1 3 323.484 3.946 20 0 DHADHO CC(C)(C)[C@]1(CN)CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000873223688 1031764804 /nfs/dbraw/zinc/76/48/04/1031764804.db2.gz RDTKNBKZWNXJKE-NRFANRHFSA-N 1 3 323.484 3.946 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CCC[C@H]2CC2(Cl)Cl)CC1 ZINC000846111391 1031862265 /nfs/dbraw/zinc/86/22/65/1031862265.db2.gz SOUMQJGHWYKNGD-LBPRGKRZSA-N 1 3 307.309 3.813 20 0 DHADHO C[C@H](Cc1cccnc1)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000897971548 1031885321 /nfs/dbraw/zinc/88/53/21/1031885321.db2.gz ZMPSSYAJSKPDGN-HLIPFELVSA-N 1 3 315.505 3.645 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000044534501 1032056447 /nfs/dbraw/zinc/05/64/47/1032056447.db2.gz PYLNMGGJYFWOIC-CHWSQXEVSA-N 1 3 300.368 3.698 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000044534501 1032056457 /nfs/dbraw/zinc/05/64/57/1032056457.db2.gz PYLNMGGJYFWOIC-CHWSQXEVSA-N 1 3 300.368 3.698 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCS[C@@H](C)C3)CC2)C1 ZINC000927028920 1033340183 /nfs/dbraw/zinc/34/01/83/1033340183.db2.gz BSPZCYGUADQKCB-ATLSCFEFSA-N 1 3 310.551 3.903 20 0 DHADHO CCCOC1CCC([N@@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001173094390 1033524185 /nfs/dbraw/zinc/52/41/85/1033524185.db2.gz JLWDZGODVDYJIJ-KKXNLOMOSA-N 1 3 318.505 3.821 20 0 DHADHO CCCOC1CCC([N@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001173094390 1033524188 /nfs/dbraw/zinc/52/41/88/1033524188.db2.gz JLWDZGODVDYJIJ-KKXNLOMOSA-N 1 3 318.505 3.821 20 0 DHADHO COCCC[NH+]1CCC(N[C@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000153514735 1033580805 /nfs/dbraw/zinc/58/08/05/1033580805.db2.gz ZLRCXPKTCPDPAQ-LPHOPBHVSA-N 1 3 316.489 3.634 20 0 DHADHO CCCC[C@H](CC(C)C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001173257211 1033628431 /nfs/dbraw/zinc/62/84/31/1033628431.db2.gz RLEZBUNZEQMSMQ-GUDVDZBRSA-N 1 3 310.526 3.824 20 0 DHADHO [NH3+][C@@H]1CCN(Cc2ccc(Cc3ccccc3)cc2)CC[C@@H]1F ZINC001206199077 1033723158 /nfs/dbraw/zinc/72/31/58/1033723158.db2.gz NQPXAHZGZXETNU-VQTJNVASSA-N 1 3 312.432 3.539 20 0 DHADHO C[C@H](CN)C[N@H+](C)[C@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173553581 1033769232 /nfs/dbraw/zinc/76/92/32/1033769232.db2.gz ZVGZILRUQQLIFJ-VXGBXAGGSA-N 1 3 303.277 3.841 20 0 DHADHO C[C@H](CN)C[N@@H+](C)[C@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173553581 1033769249 /nfs/dbraw/zinc/76/92/49/1033769249.db2.gz ZVGZILRUQQLIFJ-VXGBXAGGSA-N 1 3 303.277 3.841 20 0 DHADHO CC[N@H+](Cc1ccnn1-c1ccncc1)Cc1ccc(C)cc1 ZINC000667503866 1033779356 /nfs/dbraw/zinc/77/93/56/1033779356.db2.gz ZWVJTXHOCMOSPZ-UHFFFAOYSA-N 1 3 306.413 3.598 20 0 DHADHO CC[N@@H+](Cc1ccnn1-c1ccncc1)Cc1ccc(C)cc1 ZINC000667503866 1033779368 /nfs/dbraw/zinc/77/93/68/1033779368.db2.gz ZWVJTXHOCMOSPZ-UHFFFAOYSA-N 1 3 306.413 3.598 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000863546579 1034127538 /nfs/dbraw/zinc/12/75/38/1034127538.db2.gz GLXQOPXJIQFIHY-KPZWWZAWSA-N 1 3 315.848 3.840 20 0 DHADHO CC(C)O[C@@H](C[NH+]1CCC(C)(N2CCC2)CC1)c1ccccc1 ZINC000880474878 1034343945 /nfs/dbraw/zinc/34/39/45/1034343945.db2.gz NCEHTCUGQUNCHQ-IBGZPJMESA-N 1 3 316.489 3.713 20 0 DHADHO COc1ccc([C@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)c(F)c1 ZINC000480606443 1034350697 /nfs/dbraw/zinc/35/06/97/1034350697.db2.gz ANQKEUMSTOVVNG-HOTGVXAUSA-N 1 3 322.468 3.997 20 0 DHADHO COc1ccc([C@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)c(F)c1 ZINC000480606443 1034350708 /nfs/dbraw/zinc/35/07/08/1034350708.db2.gz ANQKEUMSTOVVNG-HOTGVXAUSA-N 1 3 322.468 3.997 20 0 DHADHO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889097 1034392562 /nfs/dbraw/zinc/39/25/62/1034392562.db2.gz GCUVXHARBYDTIL-PBHICJAKSA-N 1 3 321.534 3.963 20 0 DHADHO C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889097 1034392570 /nfs/dbraw/zinc/39/25/70/1034392570.db2.gz GCUVXHARBYDTIL-PBHICJAKSA-N 1 3 321.534 3.963 20 0 DHADHO Clc1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157350734 1034863746 /nfs/dbraw/zinc/86/37/46/1034863746.db2.gz CBAYTMIUNPYFSM-XYQBIQKZSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157350734 1034863759 /nfs/dbraw/zinc/86/37/59/1034863759.db2.gz CBAYTMIUNPYFSM-XYQBIQKZSA-N 1 3 304.865 3.802 20 0 DHADHO C[C@H](NCCc1c(F)cccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000645853629 1035014326 /nfs/dbraw/zinc/01/43/26/1035014326.db2.gz AHALVPXPGKLNHH-GJZGRUSLSA-N 1 3 322.443 3.750 20 0 DHADHO C[C@H](NCCc1c(F)cccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000645853629 1035014335 /nfs/dbraw/zinc/01/43/35/1035014335.db2.gz AHALVPXPGKLNHH-GJZGRUSLSA-N 1 3 322.443 3.750 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)[C@@H](C)C1 ZINC000482003808 1035043632 /nfs/dbraw/zinc/04/36/32/1035043632.db2.gz VSFSBMGZQPECAS-OXJNMPFZSA-N 1 3 313.489 3.947 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)[C@@H](C)C1 ZINC000482003808 1035043637 /nfs/dbraw/zinc/04/36/37/1035043637.db2.gz VSFSBMGZQPECAS-OXJNMPFZSA-N 1 3 313.489 3.947 20 0 DHADHO C[C@H]1C[C@@H](NC2CC(F)(c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000482075966 1035055608 /nfs/dbraw/zinc/05/56/08/1035055608.db2.gz NCHIVTGSBZGIBY-SUHNOJJYSA-N 1 3 310.844 3.740 20 0 DHADHO C[C@H]1C[C@@H](NC2CC(F)(c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000482075966 1035055616 /nfs/dbraw/zinc/05/56/16/1035055616.db2.gz NCHIVTGSBZGIBY-SUHNOJJYSA-N 1 3 310.844 3.740 20 0 DHADHO C[C@@H]1C[C@@H](NC2CC(F)(c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000482075960 1035056486 /nfs/dbraw/zinc/05/64/86/1035056486.db2.gz NCHIVTGSBZGIBY-SDRHGIJQSA-N 1 3 310.844 3.740 20 0 DHADHO C[C@@H]1C[C@@H](NC2CC(F)(c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000482075960 1035056480 /nfs/dbraw/zinc/05/64/80/1035056480.db2.gz NCHIVTGSBZGIBY-SDRHGIJQSA-N 1 3 310.844 3.740 20 0 DHADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1C ZINC000482330908 1035085458 /nfs/dbraw/zinc/08/54/58/1035085458.db2.gz JDVPLIUTJIEGQF-PJIJBLCYSA-N 1 3 313.489 3.911 20 0 DHADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1C ZINC000482330908 1035085467 /nfs/dbraw/zinc/08/54/67/1035085467.db2.gz JDVPLIUTJIEGQF-PJIJBLCYSA-N 1 3 313.489 3.911 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000482354670 1035087101 /nfs/dbraw/zinc/08/71/01/1035087101.db2.gz GCPLMYYXWCIRPA-DLBZAZTESA-N 1 3 300.490 3.946 20 0 DHADHO COc1cccc2c1CC[C@@H]2N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000483208651 1035241789 /nfs/dbraw/zinc/24/17/89/1035241789.db2.gz ZBAUBTDVAHICRJ-WMZOPIPTSA-N 1 3 304.478 3.639 20 0 DHADHO COC1(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000483299644 1035254364 /nfs/dbraw/zinc/25/43/64/1035254364.db2.gz SQGVPEPVWZXQKE-GOSISDBHSA-N 1 3 308.510 3.534 20 0 DHADHO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000484468684 1035337307 /nfs/dbraw/zinc/33/73/07/1035337307.db2.gz CIFDEWMDZZECSS-CGTJXYLNSA-N 1 3 304.478 3.999 20 0 DHADHO C[C@@]1(C[NH3+])CCCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC001206305444 1035378947 /nfs/dbraw/zinc/37/89/47/1035378947.db2.gz ZMAWOYCZLBLPRJ-OAHLLOKOSA-N 1 3 301.261 3.944 20 0 DHADHO c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195135166 1035415147 /nfs/dbraw/zinc/41/51/47/1035415147.db2.gz HUJDSJOGAXURGY-PKOBYXMFSA-N 1 3 310.441 3.769 20 0 DHADHO Fc1ccc2c(c1)CC[C@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195137781 1035416398 /nfs/dbraw/zinc/41/63/98/1035416398.db2.gz LXZOBRMFHFXMAG-LAUBAEHRSA-N 1 3 324.443 3.925 20 0 DHADHO Fc1ccc2c(c1)CC[C@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195137781 1035416400 /nfs/dbraw/zinc/41/64/00/1035416400.db2.gz LXZOBRMFHFXMAG-LAUBAEHRSA-N 1 3 324.443 3.925 20 0 DHADHO C[C@@H]1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205617743 1035536120 /nfs/dbraw/zinc/53/61/20/1035536120.db2.gz NBBDUCRTCUYHBH-DGCLKSJQSA-N 1 3 318.358 3.651 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C12CCCCC2 ZINC000539497461 1035756257 /nfs/dbraw/zinc/75/62/57/1035756257.db2.gz XLCYPFDXRHFICT-CEXWTWQISA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H](CC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2)N1CCCCC1 ZINC001180811552 1035767525 /nfs/dbraw/zinc/76/75/25/1035767525.db2.gz SEGRRZXUKHSCFO-FGTMMUONSA-N 1 3 322.537 3.967 20 0 DHADHO CC(C)C(C[NH2+]C1CCC(C)(N2CCOCC2)CC1)C(C)C ZINC001180995179 1035811306 /nfs/dbraw/zinc/81/13/06/1035811306.db2.gz JNOJDXOLTMPKLQ-UHFFFAOYSA-N 1 3 310.526 3.538 20 0 DHADHO CCN(CC)CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001194133004 1035840518 /nfs/dbraw/zinc/84/05/18/1035840518.db2.gz OFFKAFROYSQKOH-ZCNNSNEGSA-N 1 3 300.490 3.986 20 0 DHADHO CCN(CC)CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001194133004 1035840537 /nfs/dbraw/zinc/84/05/37/1035840537.db2.gz OFFKAFROYSQKOH-ZCNNSNEGSA-N 1 3 300.490 3.986 20 0 DHADHO C[C@H](CC[NH2+]C1CC(OCc2ccccc2)C1)N1CCCCC1 ZINC000494749501 1035862752 /nfs/dbraw/zinc/86/27/52/1035862752.db2.gz QEPCVQXBSUFDNG-QHGAOEGBSA-N 1 3 316.489 3.588 20 0 DHADHO C[C@H](N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000906589725 1036011424 /nfs/dbraw/zinc/01/14/24/1036011424.db2.gz XCNJWNTUMXHIJH-YDGZCJQPSA-N 1 3 316.464 3.924 20 0 DHADHO C[C@H](N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000906589725 1036011440 /nfs/dbraw/zinc/01/14/40/1036011440.db2.gz XCNJWNTUMXHIJH-YDGZCJQPSA-N 1 3 316.464 3.924 20 0 DHADHO C[C@H]([NH2+][C@@H]1C[C@@H]1c1cccc(F)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000906589725 1036011463 /nfs/dbraw/zinc/01/14/63/1036011463.db2.gz XCNJWNTUMXHIJH-YDGZCJQPSA-N 1 3 316.464 3.924 20 0 DHADHO Clc1cccc2c1CCC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000541744886 1036411632 /nfs/dbraw/zinc/41/16/32/1036411632.db2.gz QPQOIJDJXKXABA-FZKQIMNGSA-N 1 3 304.865 3.791 20 0 DHADHO Clc1cccc2c1CCC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000541744886 1036411635 /nfs/dbraw/zinc/41/16/35/1036411635.db2.gz QPQOIJDJXKXABA-FZKQIMNGSA-N 1 3 304.865 3.791 20 0 DHADHO CCCCOc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206542065 1036460742 /nfs/dbraw/zinc/46/07/42/1036460742.db2.gz QNMXOVLZUKAIKN-IBGZPJMESA-N 1 3 304.478 3.816 20 0 DHADHO CCCCCOc1ccc(CN2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205265315 1036572082 /nfs/dbraw/zinc/57/20/82/1036572082.db2.gz PTLXLARCBZNFJT-LJQANCHMSA-N 1 3 304.478 3.959 20 0 DHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000495421059 1036635905 /nfs/dbraw/zinc/63/59/05/1036635905.db2.gz NMEWJWXDJHICAG-NJAFHUGGSA-N 1 3 322.537 3.965 20 0 DHADHO C[C@H]([NH2+]C/C=C/c1ccncc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000487566657 1036684988 /nfs/dbraw/zinc/68/49/88/1036684988.db2.gz WQPCUSJSIDOXCZ-QSSYGXSSSA-N 1 3 321.468 3.595 20 0 DHADHO C[C@@H]1CN(CCCC2CCCCC2)CCN1c1cc[nH+]cc1 ZINC001197378418 1036771267 /nfs/dbraw/zinc/77/12/67/1036771267.db2.gz ZBOMZBZXISEARV-QGZVFWFLSA-N 1 3 301.478 3.953 20 0 DHADHO C[C@@H]1C[N@H+](CCCC2CCCCC2)CCN1c1ccncc1 ZINC001197378418 1036771285 /nfs/dbraw/zinc/77/12/85/1036771285.db2.gz ZBOMZBZXISEARV-QGZVFWFLSA-N 1 3 301.478 3.953 20 0 DHADHO C[C@@H]1C[N@@H+](CCCC2CCCCC2)CCN1c1ccncc1 ZINC001197378418 1036771293 /nfs/dbraw/zinc/77/12/93/1036771293.db2.gz ZBOMZBZXISEARV-QGZVFWFLSA-N 1 3 301.478 3.953 20 0 DHADHO C[C@H]1CCN(CCCc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC001205296666 1036839551 /nfs/dbraw/zinc/83/95/51/1036839551.db2.gz SHTPZHQEWBATTC-GXTWGEPZSA-N 1 3 315.288 3.843 20 0 DHADHO C[C@H]1CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@H]1CN ZINC001205296666 1036839578 /nfs/dbraw/zinc/83/95/78/1036839578.db2.gz SHTPZHQEWBATTC-GXTWGEPZSA-N 1 3 315.288 3.843 20 0 DHADHO C[C@H]1CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@H]1CN ZINC001205296666 1036839588 /nfs/dbraw/zinc/83/95/88/1036839588.db2.gz SHTPZHQEWBATTC-GXTWGEPZSA-N 1 3 315.288 3.843 20 0 DHADHO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000492425395 1036870617 /nfs/dbraw/zinc/87/06/17/1036870617.db2.gz ROWHVHBQBDGMFE-DZKIICNBSA-N 1 3 314.395 3.685 20 0 DHADHO C[NH+](C)Cc1cccc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000073650499 1036979589 /nfs/dbraw/zinc/97/95/89/1036979589.db2.gz GCFNDQHSYWGSHS-UHFFFAOYSA-N 1 3 320.383 3.639 20 0 DHADHO Cc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c2ccccc2n1 ZINC000488719954 1037118292 /nfs/dbraw/zinc/11/82/92/1037118292.db2.gz ZNRVDLMLFNLHCE-YZVOILCLSA-N 1 3 309.457 3.710 20 0 DHADHO Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c2ccccc2n1 ZINC000488719954 1037118297 /nfs/dbraw/zinc/11/82/97/1037118297.db2.gz ZNRVDLMLFNLHCE-YZVOILCLSA-N 1 3 309.457 3.710 20 0 DHADHO c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCc4ccccc43)C2)cc1 ZINC000309696549 1037171833 /nfs/dbraw/zinc/17/18/33/1037171833.db2.gz FEHMCYWYSOPNOL-WIYYLYMNSA-N 1 3 306.453 3.786 20 0 DHADHO c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCc4ccccc43)C2)cc1 ZINC000309696549 1037171842 /nfs/dbraw/zinc/17/18/42/1037171842.db2.gz FEHMCYWYSOPNOL-WIYYLYMNSA-N 1 3 306.453 3.786 20 0 DHADHO C[C@H]([NH2+]CCOc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000393832518 1037232668 /nfs/dbraw/zinc/23/26/68/1037232668.db2.gz LBZXCVHUGKXOKT-ICSRJNTNSA-N 1 3 324.468 3.566 20 0 DHADHO Cc1cccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC001199320135 1037246253 /nfs/dbraw/zinc/24/62/53/1037246253.db2.gz INHLXEBKLMNMNO-IYBDPMFKSA-N 1 3 306.469 3.982 20 0 DHADHO Cc1cccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC001199320135 1037246266 /nfs/dbraw/zinc/24/62/66/1037246266.db2.gz INHLXEBKLMNMNO-IYBDPMFKSA-N 1 3 306.469 3.982 20 0 DHADHO Fc1c(CNCCCCC[NH+]2CCCCC2)ccnc1Cl ZINC000823795300 1037327277 /nfs/dbraw/zinc/32/72/77/1037327277.db2.gz NHTNOVNJSCKMAZ-UHFFFAOYSA-N 1 3 313.848 3.620 20 0 DHADHO CC[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000490178273 1037630090 /nfs/dbraw/zinc/63/00/90/1037630090.db2.gz KWQWNUOUQVDGOD-WBVHZDCISA-N 1 3 307.457 3.916 20 0 DHADHO CC[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000490178273 1037630093 /nfs/dbraw/zinc/63/00/93/1037630093.db2.gz KWQWNUOUQVDGOD-WBVHZDCISA-N 1 3 307.457 3.916 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000125891216 1037975229 /nfs/dbraw/zinc/97/52/29/1037975229.db2.gz BHUZQYNPIBEPOY-FGTMMUONSA-N 1 3 318.505 3.897 20 0 DHADHO CN(C)C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000646059342 1038243190 /nfs/dbraw/zinc/24/31/90/1038243190.db2.gz CORCFLPWJVLHTD-UHFFFAOYSA-N 1 3 308.469 3.845 20 0 DHADHO C[NH+](C)C1CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC000646059342 1038243202 /nfs/dbraw/zinc/24/32/02/1038243202.db2.gz CORCFLPWJVLHTD-UHFFFAOYSA-N 1 3 308.469 3.845 20 0 DHADHO CC(C)[NH2+]CCCN[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000571789547 1038254634 /nfs/dbraw/zinc/25/46/34/1038254634.db2.gz PSXWNKCDDRAHAP-CYBMUJFWSA-N 1 3 302.384 3.614 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCSC)ccc1OC ZINC000775364894 1038275204 /nfs/dbraw/zinc/27/52/04/1038275204.db2.gz MVFCFTJHNOGVEQ-AWEZNQCLSA-N 1 3 310.507 3.551 20 0 DHADHO CCN(Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCCO1 ZINC001190731470 1038373954 /nfs/dbraw/zinc/37/39/54/1038373954.db2.gz PSLNPWCBCLYLKF-HXUWFJFHSA-N 1 3 316.489 3.673 20 0 DHADHO CCCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000572888865 1038511187 /nfs/dbraw/zinc/51/11/87/1038511187.db2.gz NDQOPENCSGRGIU-QFBILLFUSA-N 1 3 304.478 3.638 20 0 DHADHO CCCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000572888865 1038511192 /nfs/dbraw/zinc/51/11/92/1038511192.db2.gz NDQOPENCSGRGIU-QFBILLFUSA-N 1 3 304.478 3.638 20 0 DHADHO CCC(CC)[C@@H](C[NH2+]Cc1ccc2[nH]cnc2c1)N1CCCC1 ZINC000589640777 1038526386 /nfs/dbraw/zinc/52/63/86/1038526386.db2.gz WSHYVSRHQNJWJQ-LJQANCHMSA-N 1 3 314.477 3.553 20 0 DHADHO C[C@@H]([NH2+]CCNc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775513306 1038606279 /nfs/dbraw/zinc/60/62/79/1038606279.db2.gz WERFHAATHNBIID-UYAOXDASSA-N 1 3 323.484 3.599 20 0 DHADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cn2ccccc2n1 ZINC000573386330 1038930516 /nfs/dbraw/zinc/93/05/16/1038930516.db2.gz ZWDFWDJOIRTPQK-DLBZAZTESA-N 1 3 314.477 3.640 20 0 DHADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cn2ccccc2n1 ZINC000573386330 1038930526 /nfs/dbraw/zinc/93/05/26/1038930526.db2.gz ZWDFWDJOIRTPQK-DLBZAZTESA-N 1 3 314.477 3.640 20 0 DHADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cn2ccccc2n1 ZINC000573386332 1038932184 /nfs/dbraw/zinc/93/21/84/1038932184.db2.gz ZWDFWDJOIRTPQK-IRXDYDNUSA-N 1 3 314.477 3.640 20 0 DHADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cn2ccccc2n1 ZINC000573386332 1038932201 /nfs/dbraw/zinc/93/22/01/1038932201.db2.gz ZWDFWDJOIRTPQK-IRXDYDNUSA-N 1 3 314.477 3.640 20 0 DHADHO CC(C)Oc1ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000604770838 1039535433 /nfs/dbraw/zinc/53/54/33/1039535433.db2.gz NKYPLGCQOXKYJP-GOSISDBHSA-N 1 3 306.494 3.930 20 0 DHADHO CCCOc1ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000604771114 1039536536 /nfs/dbraw/zinc/53/65/36/1039536536.db2.gz XTCZYEWWIQYRGJ-SFHVURJKSA-N 1 3 306.494 3.931 20 0 DHADHO Cc1nc(C)c(CN2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000607726598 1040261461 /nfs/dbraw/zinc/26/14/61/1040261461.db2.gz APDAJMZLKWYVBZ-UHFFFAOYSA-N 1 3 321.534 3.848 20 0 DHADHO CN(CCc1cccs1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400483 1040634571 /nfs/dbraw/zinc/63/45/71/1040634571.db2.gz CSOKKNXVZHPLJX-GOSISDBHSA-N 1 3 314.498 3.745 20 0 DHADHO CN(CCc1cccs1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400483 1040634578 /nfs/dbraw/zinc/63/45/78/1040634578.db2.gz CSOKKNXVZHPLJX-GOSISDBHSA-N 1 3 314.498 3.745 20 0 DHADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000534347213 1040815966 /nfs/dbraw/zinc/81/59/66/1040815966.db2.gz AZAACRKHXAFDRR-YJBOKZPZSA-N 1 3 304.478 3.955 20 0 DHADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000534347213 1040815977 /nfs/dbraw/zinc/81/59/77/1040815977.db2.gz AZAACRKHXAFDRR-YJBOKZPZSA-N 1 3 304.478 3.955 20 0 DHADHO C[C@@H]([NH2+]CCCC(C)(F)F)c1cccc(OCCN(C)C)c1 ZINC000297472035 132017682 /nfs/dbraw/zinc/01/76/82/132017682.db2.gz YREKMXGUYIUAHY-CQSZACIVSA-N 1 3 314.420 3.713 20 0 DHADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H](C)c1ccccc1 ZINC000297592149 132024453 /nfs/dbraw/zinc/02/44/53/132024453.db2.gz JGYZOUUOHSUWGD-IAGOWNOFSA-N 1 3 309.457 3.832 20 0 DHADHO c1ccc(C2CC(C[NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000298138864 132047159 /nfs/dbraw/zinc/04/71/59/132047159.db2.gz QPJVKFDDOCYJHK-UHFFFAOYSA-N 1 3 321.468 3.834 20 0 DHADHO c1ccc2c(c1)CCC[C@H]2C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298385967 132060261 /nfs/dbraw/zinc/06/02/61/132060261.db2.gz LFXYEFZLTJLCGX-SFHVURJKSA-N 1 3 321.468 3.760 20 0 DHADHO CCOc1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000171128007 332855147 /nfs/dbraw/zinc/85/51/47/332855147.db2.gz VFVIOEPMFLVQPV-MRXNPFEDSA-N 1 3 312.457 3.998 20 0 DHADHO C[NH2+]CCC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000070188735 331658285 /nfs/dbraw/zinc/65/82/85/331658285.db2.gz QXVKJBRIRIGALC-UHFFFAOYSA-N 1 3 300.368 3.527 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c(F)c1 ZINC000131783378 332033707 /nfs/dbraw/zinc/03/37/07/332033707.db2.gz IWHRFOLKVIAMFN-AVOUXACISA-N 1 3 306.425 3.500 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CC[C@@H]2CCc3ccccc32)CC1 ZINC000449381084 332099244 /nfs/dbraw/zinc/09/92/44/332099244.db2.gz XPQBBZNIXFAYFQ-KRWDZBQOSA-N 1 3 300.490 3.959 20 0 DHADHO CC(C)(C)[NH+]1CCC(NCC[C@@H]2CCc3ccccc32)CC1 ZINC000449381084 332099245 /nfs/dbraw/zinc/09/92/45/332099245.db2.gz XPQBBZNIXFAYFQ-KRWDZBQOSA-N 1 3 300.490 3.959 20 0 DHADHO CC[C@H](C)[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)OC ZINC000449402077 332135834 /nfs/dbraw/zinc/13/58/34/332135834.db2.gz JOPGKTVWJKATIP-NEPXVJNWSA-N 1 3 310.526 3.680 20 0 DHADHO CC[C@H](C)[C@H](C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)OC ZINC000449402077 332135836 /nfs/dbraw/zinc/13/58/36/332135836.db2.gz JOPGKTVWJKATIP-NEPXVJNWSA-N 1 3 310.526 3.680 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2cc3ccccc3s2)[C@H]2CCC[C@@H]21 ZINC000559878505 332288814 /nfs/dbraw/zinc/28/88/14/332288814.db2.gz SUODTMPWGWONAK-IKGGRYGDSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cc3ccccc3s2)[C@H]2CCC[C@@H]21 ZINC000559878505 332288815 /nfs/dbraw/zinc/28/88/15/332288815.db2.gz SUODTMPWGWONAK-IKGGRYGDSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cc3ccccc3s2)[C@H]2CCC[C@@H]21 ZINC000559878505 332288816 /nfs/dbraw/zinc/28/88/16/332288816.db2.gz SUODTMPWGWONAK-IKGGRYGDSA-N 1 3 300.471 3.864 20 0 DHADHO COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000237247989 332329178 /nfs/dbraw/zinc/32/91/78/332329178.db2.gz VPFREAGWHSQUKK-ZWKOTPCHSA-N 1 3 318.505 3.728 20 0 DHADHO CC(C)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000560530318 332352584 /nfs/dbraw/zinc/35/25/84/332352584.db2.gz XXCRGFTXJNMWFH-XUVXKRRUSA-N 1 3 316.489 3.684 20 0 DHADHO CC(C)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000560530318 332352586 /nfs/dbraw/zinc/35/25/86/332352586.db2.gz XXCRGFTXJNMWFH-XUVXKRRUSA-N 1 3 316.489 3.684 20 0 DHADHO CC(C)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000560530318 332352588 /nfs/dbraw/zinc/35/25/88/332352588.db2.gz XXCRGFTXJNMWFH-XUVXKRRUSA-N 1 3 316.489 3.684 20 0 DHADHO CCC[C@H](C[N@@H+]1CC[C@H](CN2CCCC2)C1)c1ccccc1 ZINC000538281398 333124161 /nfs/dbraw/zinc/12/41/61/333124161.db2.gz AXWSOYMGAWAOOW-UYAOXDASSA-N 1 3 300.490 3.988 20 0 DHADHO CCC[C@H](C[N@H+]1CC[C@H](CN2CCCC2)C1)c1ccccc1 ZINC000538281398 333124163 /nfs/dbraw/zinc/12/41/63/333124163.db2.gz AXWSOYMGAWAOOW-UYAOXDASSA-N 1 3 300.490 3.988 20 0 DHADHO CCC[C@H](CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000538281398 333124165 /nfs/dbraw/zinc/12/41/65/333124165.db2.gz AXWSOYMGAWAOOW-UYAOXDASSA-N 1 3 300.490 3.988 20 0 DHADHO CC[C@H](NCc1cccc(C[N@H+](C)C(C)C)c1)c1cnn(C)c1 ZINC000177976697 333133673 /nfs/dbraw/zinc/13/36/73/333133673.db2.gz BKTWCBOPJGRSHO-IBGZPJMESA-N 1 3 314.477 3.501 20 0 DHADHO CC[C@H](NCc1cccc(C[N@@H+](C)C(C)C)c1)c1cnn(C)c1 ZINC000177976697 333133675 /nfs/dbraw/zinc/13/36/75/333133675.db2.gz BKTWCBOPJGRSHO-IBGZPJMESA-N 1 3 314.477 3.501 20 0 DHADHO COc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000183186729 333183515 /nfs/dbraw/zinc/18/35/15/333183515.db2.gz IFDGSNBLKCYBFO-SOLBZPMBSA-N 1 3 316.489 3.999 20 0 DHADHO CC(C)SCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000390738827 333322367 /nfs/dbraw/zinc/32/23/67/333322367.db2.gz AKMGLLFLINTSAA-IPMKNSEASA-N 1 3 318.530 3.628 20 0 DHADHO C[NH+]1CCC([C@@H]2CCN(C/C=C/c3ccc(F)cc3F)C2)CC1 ZINC000583467928 333359990 /nfs/dbraw/zinc/35/99/90/333359990.db2.gz ZSDRRRBJKVVHLC-RCAFFNEUSA-N 1 3 320.427 3.642 20 0 DHADHO Cc1ccncc1[C@@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000271384247 334022402 /nfs/dbraw/zinc/02/24/02/334022402.db2.gz IWDRUOSARFQHCA-QGZVFWFLSA-N 1 3 309.457 3.837 20 0 DHADHO C[N@H+]1CC=C(CNCc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000271912160 334028597 /nfs/dbraw/zinc/02/85/97/334028597.db2.gz SFFOWGCSWIUHBD-UHFFFAOYSA-N 1 3 318.770 3.710 20 0 DHADHO C[N@@H+]1CC=C(CNCc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000271912160 334028598 /nfs/dbraw/zinc/02/85/98/334028598.db2.gz SFFOWGCSWIUHBD-UHFFFAOYSA-N 1 3 318.770 3.710 20 0 DHADHO COc1ccccc1-c1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000414656792 334057818 /nfs/dbraw/zinc/05/78/18/334057818.db2.gz GDKLVPUEGUNLOP-DOTOQJQBSA-N 1 3 310.441 3.531 20 0 DHADHO COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](CN)C[C@@H]2C)cc1 ZINC000414656792 334057820 /nfs/dbraw/zinc/05/78/20/334057820.db2.gz GDKLVPUEGUNLOP-DOTOQJQBSA-N 1 3 310.441 3.531 20 0 DHADHO COc1ccccc1-c1ccc(C[N@H+]2C[C@@H](CN)C[C@@H]2C)cc1 ZINC000414656792 334057821 /nfs/dbraw/zinc/05/78/21/334057821.db2.gz GDKLVPUEGUNLOP-DOTOQJQBSA-N 1 3 310.441 3.531 20 0 DHADHO COc1ccccc1-c1ccc(CN2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000414666985 334062240 /nfs/dbraw/zinc/06/22/40/334062240.db2.gz XFPVTZUFKBQJHB-LPHOPBHVSA-N 1 3 324.468 3.921 20 0 DHADHO CC[NH2+]CC1CCN(Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414665338 334062262 /nfs/dbraw/zinc/06/22/62/334062262.db2.gz UXVWDMDOIICFPC-UHFFFAOYSA-N 1 3 314.395 3.835 20 0 DHADHO COc1ccc(-c2ccccc2)cc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000414669125 334063915 /nfs/dbraw/zinc/06/39/15/334063915.db2.gz KEFBFVNHFGSCTA-IHPCNDPISA-N 1 3 322.452 3.531 20 0 DHADHO COc1ccc(-c2ccccc2)cc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000414677618 334067023 /nfs/dbraw/zinc/06/70/23/334067023.db2.gz UWCIVZCVBRUFQT-MRXNPFEDSA-N 1 3 324.468 3.921 20 0 DHADHO CCOc1c(Cl)cccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781493 334093491 /nfs/dbraw/zinc/09/34/91/334093491.db2.gz MZZGQXMCMVRMHE-LSDHHAIUSA-N 1 3 322.880 3.560 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414792050 334098314 /nfs/dbraw/zinc/09/83/14/334098314.db2.gz BWFLQIMLAPIFCY-MBNYWOFBSA-N 1 3 300.899 3.830 20 0 DHADHO CC(C)[C@@H]([NH3+])CN[C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414800605 334101402 /nfs/dbraw/zinc/10/14/02/334101402.db2.gz SFSIRAOGUZEPNR-WFASDCNBSA-N 1 3 302.384 3.599 20 0 DHADHO COc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1SC ZINC000414807727 334104252 /nfs/dbraw/zinc/10/42/52/334104252.db2.gz JMEIAXIIPNUEPD-ZDUSSCGKSA-N 1 3 316.470 3.727 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)c1ccc(C(F)(F)F)cc1 ZINC000414808347 334104971 /nfs/dbraw/zinc/10/49/71/334104971.db2.gz SFGWXTJGAASNKQ-KYOSRNDESA-N 1 3 300.368 3.526 20 0 DHADHO C[C@@H]([NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCNC1 ZINC000414824156 334108752 /nfs/dbraw/zinc/10/87/52/334108752.db2.gz QDAKHWIVSFGIIF-UMVBOHGHSA-N 1 3 314.395 3.787 20 0 DHADHO Fc1ccccc1-c1ccc(CNCC[C@@H]2CCC[NH2+]C2)o1 ZINC000414847773 334120225 /nfs/dbraw/zinc/12/02/25/334120225.db2.gz JODBOJYEXXTIAK-AWEZNQCLSA-N 1 3 302.393 3.565 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)NCC1([NH3+])CCCCC1 ZINC000414849528 334121815 /nfs/dbraw/zinc/12/18/15/334121815.db2.gz XSKOAUGBZPDLRY-CYBMUJFWSA-N 1 3 314.395 3.888 20 0 DHADHO CC1(CNCc2cc(C(F)(F)F)ccc2Cl)CC[NH2+]CC1 ZINC000414896439 334160449 /nfs/dbraw/zinc/16/04/49/334160449.db2.gz BSPQUYVEXLQIRV-UHFFFAOYSA-N 1 3 320.786 3.838 20 0 DHADHO c1ccc(CC(C[NH2+][C@H]2CCCNCC2)Cc2ccccc2)cc1 ZINC000414915400 334176809 /nfs/dbraw/zinc/17/68/09/334176809.db2.gz MNMXXKGAOYZLPU-QFIPXVFZSA-N 1 3 322.496 3.820 20 0 DHADHO C[C@H](CC1CCOCC1)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414931947 334195135 /nfs/dbraw/zinc/19/51/35/334195135.db2.gz CDBBDIRECLBYAI-QRWLVFNGSA-N 1 3 312.457 3.634 20 0 DHADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414931729 334195279 /nfs/dbraw/zinc/19/52/79/334195279.db2.gz BZSRPJHPWBXVHV-ZENOOKHLSA-N 1 3 314.395 3.614 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000414941601 334202676 /nfs/dbraw/zinc/20/26/76/334202676.db2.gz LSJDREOBHLLXAU-COPCDDAFSA-N 1 3 322.496 3.818 20 0 DHADHO C[C@H](CC[NH2+]C[C@H]1CCCNC1)c1cccc(C(F)(F)F)c1 ZINC000415083834 334272491 /nfs/dbraw/zinc/27/24/91/334272491.db2.gz FVFOJZHJQCSRTM-KGLIPLIRSA-N 1 3 314.395 3.788 20 0 DHADHO C[C@H](CCNC[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415083834 334272492 /nfs/dbraw/zinc/27/24/92/334272492.db2.gz FVFOJZHJQCSRTM-KGLIPLIRSA-N 1 3 314.395 3.788 20 0 DHADHO C[C@H]1CNCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414956032 334208410 /nfs/dbraw/zinc/20/84/10/334208410.db2.gz MULWXRNCJSDJLB-BLLLJJGKSA-N 1 3 304.434 3.642 20 0 DHADHO FC(F)(F)c1ccc(Cl)c(CNCCC[C@@H]2CCC[NH2+]2)c1 ZINC000414969850 334215847 /nfs/dbraw/zinc/21/58/47/334215847.db2.gz JSMYAWGAAMXTLQ-CYBMUJFWSA-N 1 3 320.786 3.981 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415082345 334273120 /nfs/dbraw/zinc/27/31/20/334273120.db2.gz OFSWLIIVMKSSAA-DVOMOZLQSA-N 1 3 314.395 3.757 20 0 DHADHO Clc1ccc(OCC2CC2)c(CNCCC[C@@H]2CCC[NH2+]2)c1 ZINC000414969249 334218144 /nfs/dbraw/zinc/21/81/44/334218144.db2.gz SRRRGEVUEGTMBS-QGZVFWFLSA-N 1 3 322.880 3.751 20 0 DHADHO c1ccc([C@H]2C[C@H](NCc3ccc4c(c3)CCCN4)CC[NH2+]2)cc1 ZINC000414983457 334227408 /nfs/dbraw/zinc/22/74/08/334227408.db2.gz TZFZZPGMNZLZDP-TZIWHRDSSA-N 1 3 321.468 3.628 20 0 DHADHO [NH3+][C@H]1CCC[C@H](CNCc2c(Cl)cccc2N2CCCC2)C1 ZINC000414991216 334230785 /nfs/dbraw/zinc/23/07/85/334230785.db2.gz ATDALXHXHUUMSE-GJZGRUSLSA-N 1 3 321.896 3.547 20 0 DHADHO c1ccc([C@H]2C[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000298116368 334246640 /nfs/dbraw/zinc/24/66/40/334246640.db2.gz ORTNTHINWHVOEV-UAPYVXQJSA-N 1 3 307.441 3.586 20 0 DHADHO Cc1ccc(-c2nc(CN[C@@H](C)CCCC[NH3+])cs2)cc1 ZINC000415016059 334258850 /nfs/dbraw/zinc/25/88/50/334258850.db2.gz PAGKWIHVVFFGDC-AWEZNQCLSA-N 1 3 303.475 3.726 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415049579 334259148 /nfs/dbraw/zinc/25/91/48/334259148.db2.gz DLYJRJAEJUKZOK-XJKCOSOUSA-N 1 3 314.395 3.553 20 0 DHADHO C[C@H](CCCC[NH3+])NCc1ccc(Br)cc1Cl ZINC000415018155 334259167 /nfs/dbraw/zinc/25/91/67/334259167.db2.gz TWPOWIBKPKSXDX-SNVBAGLBSA-N 1 3 319.674 3.710 20 0 DHADHO c1ccc(-c2cccc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)nc1 ZINC000415033828 334260226 /nfs/dbraw/zinc/26/02/26/334260226.db2.gz CCGFTSDVNZLTJN-FPOVZHCZSA-N 1 3 321.468 3.713 20 0 DHADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1nc(C(F)(F)F)cs1 ZINC000453390696 334264596 /nfs/dbraw/zinc/26/45/96/334264596.db2.gz DDUDAIKNKUJFGT-SNVBAGLBSA-N 1 3 321.412 3.687 20 0 DHADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1nc(C(F)(F)F)cs1 ZINC000453390696 334264597 /nfs/dbraw/zinc/26/45/97/334264597.db2.gz DDUDAIKNKUJFGT-SNVBAGLBSA-N 1 3 321.412 3.687 20 0 DHADHO c1ccc2c(c1)C1C[C@H](CN[C@H]3CCC[NH2+]C3)C2c2ccccc21 ZINC000415100090 334279736 /nfs/dbraw/zinc/27/97/36/334279736.db2.gz HJRYAQHCUGHCOM-QHGUSXPKSA-N 1 3 318.464 3.625 20 0 DHADHO C[C@@H](CNC[C@]1(C)CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415089817 334280071 /nfs/dbraw/zinc/28/00/71/334280071.db2.gz YDQNKXWGFQJBOV-XHDPSFHLSA-N 1 3 301.261 3.686 20 0 DHADHO Brc1ccc([C@@H]([NH2+]C2CCNCC2)C2CCC2)cc1 ZINC000415090200 334280091 /nfs/dbraw/zinc/28/00/91/334280091.db2.gz YPDLCRMTORCIHN-INIZCTEOSA-N 1 3 323.278 3.632 20 0 DHADHO c1ccc(C[C@H](C[NH2+][C@@H]2CCCNCC2)c2ccccc2)cc1 ZINC000415113685 334282156 /nfs/dbraw/zinc/28/21/56/334282156.db2.gz FDZNYHSOASPABU-NHCUHLMSSA-N 1 3 308.469 3.745 20 0 DHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccccc2)CC1 ZINC000531932739 334297184 /nfs/dbraw/zinc/29/71/84/334297184.db2.gz RZBNZDYSHRHZJZ-FXAWDEMLSA-N 1 3 300.490 3.862 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000531956307 334307920 /nfs/dbraw/zinc/30/79/20/334307920.db2.gz UYSMBANTPQVTQH-JFIYKMOQSA-N 1 3 304.478 3.856 20 0 DHADHO CCCC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccccc1 ZINC000344003467 335211974 /nfs/dbraw/zinc/21/19/74/335211974.db2.gz IUQRKVRILQWKPN-FQEVSTJZSA-N 1 3 317.521 3.535 20 0 DHADHO CC[C@H](NCC1=CC[N@H+](C)CC1)c1cc(Cl)ccc1OC ZINC000344340797 335242556 /nfs/dbraw/zinc/24/25/56/335242556.db2.gz ZILYFALEAGPMRO-INIZCTEOSA-N 1 3 308.853 3.651 20 0 DHADHO CC[C@H](NCC1=CC[N@@H+](C)CC1)c1cc(Cl)ccc1OC ZINC000344340797 335242558 /nfs/dbraw/zinc/24/25/58/335242558.db2.gz ZILYFALEAGPMRO-INIZCTEOSA-N 1 3 308.853 3.651 20 0 DHADHO C[C@H](c1nc2ccccc2o1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863732 335248203 /nfs/dbraw/zinc/24/82/03/335248203.db2.gz HHSODGFJAQATKI-OAHLLOKOSA-N 1 3 313.445 3.697 20 0 DHADHO Cc1cc(C[N@@H+](C)CC[C@@H]2CCCCN2C)cc2cccnc12 ZINC000346184838 335378973 /nfs/dbraw/zinc/37/89/73/335378973.db2.gz XTVKGEIITAGAPC-IBGZPJMESA-N 1 3 311.473 3.849 20 0 DHADHO Cc1cc(C[N@H+](C)CC[C@@H]2CCCCN2C)cc2cccnc12 ZINC000346184838 335378974 /nfs/dbraw/zinc/37/89/74/335378974.db2.gz XTVKGEIITAGAPC-IBGZPJMESA-N 1 3 311.473 3.849 20 0 DHADHO C[C@@H](NCCCC[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000348049074 335548070 /nfs/dbraw/zinc/54/80/70/335548070.db2.gz UFOONOWLJLIHDQ-CQSZACIVSA-N 1 3 303.475 3.803 20 0 DHADHO CSCc1cc(F)ccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000167116601 336019588 /nfs/dbraw/zinc/01/95/88/336019588.db2.gz IDKQXFMOOKCLLP-PBFPGSCMSA-N 1 3 310.482 3.507 20 0 DHADHO C[NH+]1CCC([C@H]2CCN(C/C=C/c3ccc(F)c(F)c3)C2)CC1 ZINC000583661433 336035701 /nfs/dbraw/zinc/03/57/01/336035701.db2.gz NSNBMXISENANKB-YATRRXNKSA-N 1 3 320.427 3.642 20 0 DHADHO CC1(C)[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000167572800 336195358 /nfs/dbraw/zinc/19/53/58/336195358.db2.gz NUZNSZGZDUPFAM-QRVBRYPASA-N 1 3 320.521 3.577 20 0 DHADHO CC1(C)[C@H](NC2CC[NH+](C3CCCCC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000167572800 336195359 /nfs/dbraw/zinc/19/53/59/336195359.db2.gz NUZNSZGZDUPFAM-QRVBRYPASA-N 1 3 320.521 3.577 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H](NCC2([NH3+])CCCCC2)C1 ZINC000333337878 336202072 /nfs/dbraw/zinc/20/20/72/336202072.db2.gz XKSJMXSTFKSCIG-SJORKVTESA-N 1 3 301.478 3.667 20 0 DHADHO CCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000352744176 336234284 /nfs/dbraw/zinc/23/42/84/336234284.db2.gz YVNCNHJDEJRVTO-FXAWDEMLSA-N 1 3 323.484 3.644 20 0 DHADHO CCc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000352744177 336234382 /nfs/dbraw/zinc/23/43/82/336234382.db2.gz YVNCNHJDEJRVTO-PXNSSMCTSA-N 1 3 323.484 3.644 20 0 DHADHO C[C@@H](c1cccnc1)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352831589 336269535 /nfs/dbraw/zinc/26/95/35/336269535.db2.gz LXSBMQPJLPHFRL-GHTZIAJQSA-N 1 3 321.468 3.741 20 0 DHADHO C[C@@H](c1cccnc1)[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352831589 336269536 /nfs/dbraw/zinc/26/95/36/336269536.db2.gz LXSBMQPJLPHFRL-GHTZIAJQSA-N 1 3 321.468 3.741 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1cccc(OC(F)F)c1 ZINC000192925213 336284564 /nfs/dbraw/zinc/28/45/64/336284564.db2.gz PXOLCFBLIARNLJ-CQSZACIVSA-N 1 3 312.404 3.815 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@H]21 ZINC000514104552 336352332 /nfs/dbraw/zinc/35/23/32/336352332.db2.gz KSOUJFIQRDMXHU-OWCLPIDISA-N 1 3 312.379 3.668 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@H]21 ZINC000514104552 336352333 /nfs/dbraw/zinc/35/23/33/336352333.db2.gz KSOUJFIQRDMXHU-OWCLPIDISA-N 1 3 312.379 3.668 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@H]21 ZINC000514104552 336352334 /nfs/dbraw/zinc/35/23/34/336352334.db2.gz KSOUJFIQRDMXHU-OWCLPIDISA-N 1 3 312.379 3.668 20 0 DHADHO CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000514633826 336387070 /nfs/dbraw/zinc/38/70/70/336387070.db2.gz OKYMETAVQYGXMH-LJQANCHMSA-N 1 3 316.489 3.638 20 0 DHADHO CC(C)Oc1cccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000514633826 336387071 /nfs/dbraw/zinc/38/70/71/336387071.db2.gz OKYMETAVQYGXMH-LJQANCHMSA-N 1 3 316.489 3.638 20 0 DHADHO C[NH+](C)CCCCN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000353844631 336443626 /nfs/dbraw/zinc/44/36/26/336443626.db2.gz UONKDSRPXRQJCU-HXUWFJFHSA-N 1 3 323.440 3.849 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000358052712 336608750 /nfs/dbraw/zinc/60/87/50/336608750.db2.gz YQRVGAFZCNAZMH-BXWFABGCSA-N 1 3 322.468 3.756 20 0 DHADHO CO[C@H](C)[C@@H](C)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000360692158 336719061 /nfs/dbraw/zinc/71/90/61/336719061.db2.gz UWJGLPFLEOKQQH-IAGOWNOFSA-N 1 3 304.478 3.576 20 0 DHADHO C[NH+](C)Cc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000360820327 336723130 /nfs/dbraw/zinc/72/31/30/336723130.db2.gz JENJIDSPYZCMLY-HXUWFJFHSA-N 1 3 309.457 3.774 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccc(O)cc2)CC1 ZINC000368446048 336844996 /nfs/dbraw/zinc/84/49/96/336844996.db2.gz RUXAOJUDMRVIHL-OXQOHEQNSA-N 1 3 316.489 3.567 20 0 DHADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCCc2ccccc21 ZINC000122382852 337005557 /nfs/dbraw/zinc/00/55/57/337005557.db2.gz ITNNVSGSGMCECU-HXUWFJFHSA-N 1 3 324.468 3.794 20 0 DHADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CCCc2ccccc21 ZINC000122383039 337005619 /nfs/dbraw/zinc/00/56/19/337005619.db2.gz ITNNVSGSGMCECU-FQEVSTJZSA-N 1 3 324.468 3.794 20 0 DHADHO CCCC[NH+]1CCC(NCCSCc2ccccc2)CC1 ZINC000193904424 337080042 /nfs/dbraw/zinc/08/00/42/337080042.db2.gz MSSFHPXXUXEGQN-UHFFFAOYSA-N 1 3 306.519 3.774 20 0 DHADHO C[NH+](C)CCC1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000582633002 337116457 /nfs/dbraw/zinc/11/64/57/337116457.db2.gz KUOOJSKXLHCYMU-ARJAWSKDSA-N 1 3 308.416 3.642 20 0 DHADHO CC(C)Oc1ccc2ccccc2c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000582725968 337125961 /nfs/dbraw/zinc/12/59/61/337125961.db2.gz IGOMXFHQJQGOGO-XKGZKEIXSA-N 1 3 324.468 3.796 20 0 DHADHO Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CCN(C(C)C)CC1)CCCO2 ZINC000180404383 337174193 /nfs/dbraw/zinc/17/41/93/337174193.db2.gz GGXLSKYEUJNQOA-IBGZPJMESA-N 1 3 316.489 3.980 20 0 DHADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000182127951 337186800 /nfs/dbraw/zinc/18/68/00/337186800.db2.gz OCXZLRONOPGAQF-CQSZACIVSA-N 1 3 317.477 3.559 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000583170607 337251030 /nfs/dbraw/zinc/25/10/30/337251030.db2.gz FONCQUWJUPCEOS-AYBZRNKSSA-N 1 3 304.453 3.563 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000583170607 337251031 /nfs/dbraw/zinc/25/10/31/337251031.db2.gz FONCQUWJUPCEOS-AYBZRNKSSA-N 1 3 304.453 3.563 20 0 DHADHO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1F ZINC000321272715 337253685 /nfs/dbraw/zinc/25/36/85/337253685.db2.gz MPDABNYHRNSVFC-OAHLLOKOSA-N 1 3 313.420 3.849 20 0 DHADHO Cc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)c(C)n1 ZINC000187319695 337264091 /nfs/dbraw/zinc/26/40/91/337264091.db2.gz CDHQAXHBPVIUOB-UHFFFAOYSA-N 1 3 315.505 3.786 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cccc(OCCN(C)C)c1 ZINC000429447654 337492172 /nfs/dbraw/zinc/49/21/72/337492172.db2.gz JXARPQCPTBZHBG-CRAIPNDOSA-N 1 3 302.462 3.610 20 0 DHADHO Fc1ccc([C@@H](CC(F)(F)F)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420374961 337500142 /nfs/dbraw/zinc/50/01/42/337500142.db2.gz OLACIQUJSHNSFP-SWLSCSKDSA-N 1 3 318.358 3.799 20 0 DHADHO Fc1ccc([C@@H](CC(F)(F)F)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000420374959 337500196 /nfs/dbraw/zinc/50/01/96/337500196.db2.gz OLACIQUJSHNSFP-IUODEOHRSA-N 1 3 318.358 3.799 20 0 DHADHO Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422704386 337683604 /nfs/dbraw/zinc/68/36/04/337683604.db2.gz KMIXEDQQFXJMFU-OAHLLOKOSA-N 1 3 311.473 3.786 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000422719544 337684076 /nfs/dbraw/zinc/68/40/76/337684076.db2.gz YQANPIXCQGYVSH-ZBFHGGJFSA-N 1 3 311.473 3.866 20 0 DHADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000422734162 337684538 /nfs/dbraw/zinc/68/45/38/337684538.db2.gz SCUNBVMFGKEJPE-UWVGGRQHSA-N 1 3 323.239 3.537 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NCc1ccccc1COCc1ccccc1 ZINC000422852428 337688981 /nfs/dbraw/zinc/68/89/81/337688981.db2.gz ANOXBOSDGQLFRA-IRXDYDNUSA-N 1 3 312.457 3.619 20 0 DHADHO c1ccc(SC2(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422909700 337691005 /nfs/dbraw/zinc/69/10/05/337691005.db2.gz OTQXKNMFYVWNBA-KZNAEPCWSA-N 1 3 316.514 3.822 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000422913876 337691044 /nfs/dbraw/zinc/69/10/44/337691044.db2.gz RATISLINRCHPCR-QRWLVFNGSA-N 1 3 309.457 3.521 20 0 DHADHO [NH3+]CC1CCC(N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000422924956 337691740 /nfs/dbraw/zinc/69/17/40/337691740.db2.gz ZLTOFRNXJJEYPN-SRHKJQAYSA-N 1 3 315.244 3.534 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1ccccc1-c1ccccc1 ZINC000422939428 337692498 /nfs/dbraw/zinc/69/24/98/337692498.db2.gz RMDCIIFFEKUCPN-FXAWDEMLSA-N 1 3 324.468 3.710 20 0 DHADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422939237 337692554 /nfs/dbraw/zinc/69/25/54/337692554.db2.gz IAJOFHUUFBTPDI-TZMCWYRMSA-N 1 3 301.261 3.643 20 0 DHADHO c1ccc(-c2cccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)nc1 ZINC000422994956 337694136 /nfs/dbraw/zinc/69/41/36/337694136.db2.gz JAGLXBYZMBHJNB-CEWLAPEOSA-N 1 3 321.468 3.759 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000422956663 337694823 /nfs/dbraw/zinc/69/48/23/337694823.db2.gz QBUQMFNOHCDRRF-LLVKDONJSA-N 1 3 321.827 3.535 20 0 DHADHO Fc1ccc(C2=CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423048485 337697227 /nfs/dbraw/zinc/69/72/27/337697227.db2.gz WMGMHRNLPQBNAX-KAKFPZCNSA-N 1 3 300.421 3.634 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423057626 337697606 /nfs/dbraw/zinc/69/76/06/337697606.db2.gz HNVSNTQXVGIHJJ-XJKCOSOUSA-N 1 3 314.395 3.787 20 0 DHADHO Fc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)c(F)c1 ZINC000423059972 337697734 /nfs/dbraw/zinc/69/77/34/337697734.db2.gz HAPICCDIFSLJSA-XYPWUTKMSA-N 1 3 320.427 3.649 20 0 DHADHO Cc1cccc(OCCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1C ZINC000423085068 337698792 /nfs/dbraw/zinc/69/87/92/337698792.db2.gz JFRBTRYHCNTUGK-IPMKNSEASA-N 1 3 316.489 3.583 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423093739 337699187 /nfs/dbraw/zinc/69/91/87/337699187.db2.gz AFZMDSFYVWDMMF-WFGGJUAMSA-N 1 3 313.272 3.956 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423098536 337699324 /nfs/dbraw/zinc/69/93/24/337699324.db2.gz SCQIUBXCDNWTQZ-ZCHDIUTGSA-N 1 3 310.844 3.645 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423138768 337701318 /nfs/dbraw/zinc/70/13/18/337701318.db2.gz TZXKLKUMYGMHDD-UAOJZALGSA-N 1 3 309.457 3.693 20 0 DHADHO Cc1cccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423160079 337701928 /nfs/dbraw/zinc/70/19/28/337701928.db2.gz GUJMOTKSKVZMPL-LRQRDZAKSA-N 1 3 322.452 3.902 20 0 DHADHO Clc1ccc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CCCNC3)C2)cc1 ZINC000423212719 337704589 /nfs/dbraw/zinc/70/45/89/337704589.db2.gz MEGVRDFAWPUVKL-KYJSFNMBSA-N 1 3 306.881 3.955 20 0 DHADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423226732 337705834 /nfs/dbraw/zinc/70/58/34/337705834.db2.gz RZIOTJHVYDWLRP-QWRGUYRKSA-N 1 3 306.397 3.729 20 0 DHADHO Cc1ccc(-c2nc3c(s2)[C@@H](NC[C@@H](C)C[NH3+])CCC3)cc1 ZINC000423296125 337710698 /nfs/dbraw/zinc/71/06/98/337710698.db2.gz GEURHPMRICMBOB-ZFWWWQNUSA-N 1 3 315.486 3.680 20 0 DHADHO COc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1F ZINC000423295315 337710755 /nfs/dbraw/zinc/71/07/55/337710755.db2.gz WLNIHMZGIMLGCY-CHWSQXEVSA-N 1 3 302.393 3.705 20 0 DHADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)C(c1ccccc1)c1ccccc1 ZINC000423398453 337715669 /nfs/dbraw/zinc/71/56/69/337715669.db2.gz OYQUVDGJIUUISH-UWVAXJGDSA-N 1 3 308.469 3.795 20 0 DHADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423405839 337715953 /nfs/dbraw/zinc/71/59/53/337715953.db2.gz UBLZCEGIYITBAK-ZENOOKHLSA-N 1 3 314.395 3.614 20 0 DHADHO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423377804 337717512 /nfs/dbraw/zinc/71/75/12/337717512.db2.gz KJSFJLKKTDVVLF-PMPSAXMXSA-N 1 3 313.489 3.954 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423391808 337718320 /nfs/dbraw/zinc/71/83/20/337718320.db2.gz LBKXXJAEHVDJAN-SIUPPRGNSA-N 1 3 306.881 3.954 20 0 DHADHO COc1ccc([C@H](NCc2ccc3c(c2)C[NH2+]C3)C(C)C)cc1 ZINC000423394331 337718558 /nfs/dbraw/zinc/71/85/58/337718558.db2.gz RFRPHHIGYIYGLZ-HXUWFJFHSA-N 1 3 310.441 3.785 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000423393103 337718627 /nfs/dbraw/zinc/71/86/27/337718627.db2.gz QJIUYGRVFWZHLJ-XIRDDKMYSA-N 1 3 320.477 3.795 20 0 DHADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1nc(-c2ccccc2)cs1 ZINC000423473299 337721334 /nfs/dbraw/zinc/72/13/34/337721334.db2.gz GRVRVCGYWHIZLW-GOEBONIOSA-N 1 3 315.486 3.993 20 0 DHADHO C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000423494987 337722776 /nfs/dbraw/zinc/72/27/76/337722776.db2.gz TUPAYDQKRYXATC-IVZWLZJFSA-N 1 3 305.224 3.911 20 0 DHADHO Cc1cc(C)cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000536855427 337746112 /nfs/dbraw/zinc/74/61/12/337746112.db2.gz AFNUXUHUQKTUQT-QRVBRYPASA-N 1 3 318.505 3.843 20 0 DHADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000044515455 337810122 /nfs/dbraw/zinc/81/01/22/337810122.db2.gz SPIINIYAWZDOMD-LLVKDONJSA-N 1 3 301.261 3.986 20 0 DHADHO c1ncc(C[NH+]2CCCCCC2)cc1CN1CCCCCC1 ZINC000515594503 337993692 /nfs/dbraw/zinc/99/36/92/337993692.db2.gz LNBBKKPKXMPFPH-UHFFFAOYSA-N 1 3 301.478 3.834 20 0 DHADHO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H](C)CN(C)C ZINC000425938051 338019012 /nfs/dbraw/zinc/01/90/12/338019012.db2.gz VDDNGDWBRRIQSW-YJBOKZPZSA-N 1 3 304.478 3.811 20 0 DHADHO C[C@@H](C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1)CN(C)C ZINC000425949348 338019159 /nfs/dbraw/zinc/01/91/59/338019159.db2.gz FLLPPQGIVYSDJW-KBPBESRZSA-N 1 3 316.411 3.814 20 0 DHADHO Cc1ccc(C(C)(C)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000426318844 338026724 /nfs/dbraw/zinc/02/67/24/338026724.db2.gz SQPBEVKSMDZHQB-ROUUACIJSA-N 1 3 300.490 3.797 20 0 DHADHO Cc1ccc(C(C)(C)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000426318844 338026725 /nfs/dbraw/zinc/02/67/25/338026725.db2.gz SQPBEVKSMDZHQB-ROUUACIJSA-N 1 3 300.490 3.797 20 0 DHADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429143681 338071905 /nfs/dbraw/zinc/07/19/05/338071905.db2.gz RMWQERNZVXDCTI-NVXWUHKLSA-N 1 3 324.921 3.991 20 0 DHADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429143681 338071906 /nfs/dbraw/zinc/07/19/06/338071906.db2.gz RMWQERNZVXDCTI-NVXWUHKLSA-N 1 3 324.921 3.991 20 0 DHADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCOc2cccc3ccccc32)C1 ZINC000430551432 338108543 /nfs/dbraw/zinc/10/85/43/338108543.db2.gz PSVMOOXDNLLDMY-FUHWJXTLSA-N 1 3 312.457 3.668 20 0 DHADHO C[C@H]([NH3+])C1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000430922666 338118950 /nfs/dbraw/zinc/11/89/50/338118950.db2.gz BUYQYMGDKNQJDX-LBPRGKRZSA-N 1 3 319.836 3.554 20 0 DHADHO C[NH+]1CCC(CCNCc2csc(Cl)c2Cl)CC1 ZINC000432249811 338150666 /nfs/dbraw/zinc/15/06/66/338150666.db2.gz HNDCMFPSAJXZMA-UHFFFAOYSA-N 1 3 307.290 3.876 20 0 DHADHO CC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000432423561 338155993 /nfs/dbraw/zinc/15/59/93/338155993.db2.gz KOUMQCCWHFOPBF-QAPCUYQASA-N 1 3 324.896 3.882 20 0 DHADHO CC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000432423561 338155994 /nfs/dbraw/zinc/15/59/94/338155994.db2.gz KOUMQCCWHFOPBF-QAPCUYQASA-N 1 3 324.896 3.882 20 0 DHADHO COc1ccc2cc(C[N@@H+]3CCC[C@H](N(C)C)CC3)ccc2c1 ZINC000432795783 338168230 /nfs/dbraw/zinc/16/82/30/338168230.db2.gz YXWZNQOPJPECNP-IBGZPJMESA-N 1 3 312.457 3.765 20 0 DHADHO COc1ccc2cc(C[N@H+]3CCC[C@H](N(C)C)CC3)ccc2c1 ZINC000432795783 338168231 /nfs/dbraw/zinc/16/82/31/338168231.db2.gz YXWZNQOPJPECNP-IBGZPJMESA-N 1 3 312.457 3.765 20 0 DHADHO CN(C)[C@@H]1CCC[N@H+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000432797172 338168276 /nfs/dbraw/zinc/16/82/76/338168276.db2.gz DCETXPQXBSOUDS-HXUWFJFHSA-N 1 3 309.457 3.665 20 0 DHADHO CN(C)[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000432797172 338168277 /nfs/dbraw/zinc/16/82/77/338168277.db2.gz DCETXPQXBSOUDS-HXUWFJFHSA-N 1 3 309.457 3.665 20 0 DHADHO CN1CCCC[C@@H]1CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434493917 338218302 /nfs/dbraw/zinc/21/83/02/338218302.db2.gz BPPFXYKMMQQTTF-GOSISDBHSA-N 1 3 304.453 3.822 20 0 DHADHO COc1ccccc1-c1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000435381863 338238369 /nfs/dbraw/zinc/23/83/69/338238369.db2.gz YJUIYQHVPLTWLE-DFQSSKMNSA-N 1 3 322.452 3.531 20 0 DHADHO CCN(Cc1ccc(Cl)c2cccnc12)[C@H]1CCC[NH2+]CC1 ZINC000435625037 338243739 /nfs/dbraw/zinc/24/37/39/338243739.db2.gz GZHXEFHXZINSGH-HNNXBMFYSA-N 1 3 317.864 3.852 20 0 DHADHO C[NH+](C)CC[C@@H](NCc1cc2c(cccc2F)[nH]1)C(C)(C)C ZINC000436241343 338263138 /nfs/dbraw/zinc/26/31/38/338263138.db2.gz KRBJAIIMFSJOQZ-QGZVFWFLSA-N 1 3 305.441 3.763 20 0 DHADHO COCCC1(C[NH2+]CCCN2CCCC[C@@H]2C)CCCCC1 ZINC000436270010 338264571 /nfs/dbraw/zinc/26/45/71/338264571.db2.gz MXOGRBZORRQGNG-SFHVURJKSA-N 1 3 310.526 3.828 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3c(cccc3F)[nH]2)C[C@@H]1C ZINC000438104715 338331919 /nfs/dbraw/zinc/33/19/19/338331919.db2.gz YIEPUTNUKSZKIR-DZGCQCFKSA-N 1 3 303.425 3.612 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(cccc3F)[nH]2)C[C@@H]1C ZINC000438104715 338331920 /nfs/dbraw/zinc/33/19/20/338331920.db2.gz YIEPUTNUKSZKIR-DZGCQCFKSA-N 1 3 303.425 3.612 20 0 DHADHO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000438117888 338333114 /nfs/dbraw/zinc/33/31/14/338333114.db2.gz MLDJSXHVJTWEJK-JBACZVJFSA-N 1 3 312.501 3.915 20 0 DHADHO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000438117888 338333115 /nfs/dbraw/zinc/33/31/15/338333115.db2.gz MLDJSXHVJTWEJK-JBACZVJFSA-N 1 3 312.501 3.915 20 0 DHADHO CN1CCCN(CCC[NH2+][C@@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000439010939 338358415 /nfs/dbraw/zinc/35/84/15/338358415.db2.gz ZFUISIBBXHPHTD-RBUKOAKNSA-N 1 3 323.569 3.599 20 0 DHADHO Cc1ccccc1CCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000440332680 338385856 /nfs/dbraw/zinc/38/58/56/338385856.db2.gz RRDABJCRPPHDRH-IBGZPJMESA-N 1 3 300.490 3.735 20 0 DHADHO Cc1ccccc1CCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000440332680 338385857 /nfs/dbraw/zinc/38/58/57/338385857.db2.gz RRDABJCRPPHDRH-IBGZPJMESA-N 1 3 300.490 3.735 20 0 DHADHO Cc1ccccc1CCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000440332680 338385858 /nfs/dbraw/zinc/38/58/58/338385858.db2.gz RRDABJCRPPHDRH-IBGZPJMESA-N 1 3 300.490 3.735 20 0 DHADHO CCC[NH+](CCC)CCCN[C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442779617 338430684 /nfs/dbraw/zinc/43/06/84/338430684.db2.gz MHPGRGSKBMHTAX-INIZCTEOSA-N 1 3 313.489 3.737 20 0 DHADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000449252337 338606951 /nfs/dbraw/zinc/60/69/51/338606951.db2.gz QIQNUJYRXKDNKN-LJQANCHMSA-N 1 3 301.478 3.856 20 0 DHADHO CC[C@H](C)[C@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)OC ZINC000449403694 338621378 /nfs/dbraw/zinc/62/13/78/338621378.db2.gz RBLIEONQHRDNGO-NBMJBFSESA-N 1 3 310.526 3.680 20 0 DHADHO Cc1cccc(C(C)(C)C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459395468 339026864 /nfs/dbraw/zinc/02/68/64/339026864.db2.gz YMYYBQKBUKUUIC-UHFFFAOYSA-N 1 3 323.484 3.926 20 0 DHADHO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccncc3)CC1)[C@@H](C)C2 ZINC000459469390 339031070 /nfs/dbraw/zinc/03/10/70/339031070.db2.gz SENXVNNWYDNBQL-HRAATJIYSA-N 1 3 321.468 3.882 20 0 DHADHO CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459500530 339032946 /nfs/dbraw/zinc/03/29/46/339032946.db2.gz CGFAUQUPWYJWNJ-OAHLLOKOSA-N 1 3 315.383 3.617 20 0 DHADHO c1cc(N2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)ccn1 ZINC000459515096 339033626 /nfs/dbraw/zinc/03/36/26/339033626.db2.gz GOOSPQOYMXKKDO-UHFFFAOYSA-N 1 3 307.441 3.718 20 0 DHADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000459561114 339035810 /nfs/dbraw/zinc/03/58/10/339035810.db2.gz MHEOVFFWQRZMLM-YESZJQIVSA-N 1 3 301.478 3.855 20 0 DHADHO COC1CCC([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000459667629 339041749 /nfs/dbraw/zinc/04/17/49/339041749.db2.gz BGHMRFDYGLMLJQ-NHFHULPWSA-N 1 3 308.510 3.577 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2cnc(C3CCCC3)s2)C1 ZINC000459723840 339044453 /nfs/dbraw/zinc/04/44/53/339044453.db2.gz DBAVNZVUICJZNS-CQSZACIVSA-N 1 3 307.507 3.622 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2cnc(C3CCCC3)s2)C1 ZINC000459723840 339044454 /nfs/dbraw/zinc/04/44/54/339044454.db2.gz DBAVNZVUICJZNS-CQSZACIVSA-N 1 3 307.507 3.622 20 0 DHADHO CC(C)COc1ccccc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459780911 339048188 /nfs/dbraw/zinc/04/81/88/339048188.db2.gz LVVJMPBJKGGYEP-KRWDZBQOSA-N 1 3 304.478 3.543 20 0 DHADHO CC(C)COc1ccccc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459780911 339048189 /nfs/dbraw/zinc/04/81/89/339048189.db2.gz LVVJMPBJKGGYEP-KRWDZBQOSA-N 1 3 304.478 3.543 20 0 DHADHO CO[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C12CCC2 ZINC000459782652 339048312 /nfs/dbraw/zinc/04/83/12/339048312.db2.gz MTPNEEDCSXDCDC-OQIJWPOYSA-N 1 3 320.521 3.577 20 0 DHADHO CO[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)C12CCC2 ZINC000459782652 339048313 /nfs/dbraw/zinc/04/83/13/339048313.db2.gz MTPNEEDCSXDCDC-OQIJWPOYSA-N 1 3 320.521 3.577 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000462481481 339079709 /nfs/dbraw/zinc/07/97/09/339079709.db2.gz AMIPTVFEMMAGBM-AEFFLSMTSA-N 1 3 309.457 3.772 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000462481481 339079710 /nfs/dbraw/zinc/07/97/10/339079710.db2.gz AMIPTVFEMMAGBM-AEFFLSMTSA-N 1 3 309.457 3.772 20 0 DHADHO CN(C)CCOc1ccc(CC[NH2+]C2CCC(C)(C)CC2)cc1 ZINC000462748874 339086788 /nfs/dbraw/zinc/08/67/88/339086788.db2.gz GACGGKZPTRDJMH-UHFFFAOYSA-N 1 3 318.505 3.728 20 0 DHADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000463014136 339100488 /nfs/dbraw/zinc/10/04/88/339100488.db2.gz UFRKMKASLLFBDL-MOPGFXCFSA-N 1 3 322.537 3.965 20 0 DHADHO CC(C)O[C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000463014136 339100489 /nfs/dbraw/zinc/10/04/89/339100489.db2.gz UFRKMKASLLFBDL-MOPGFXCFSA-N 1 3 322.537 3.965 20 0 DHADHO C1CCC(N2CCC([NH2+][C@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)C1 ZINC000466347977 339200307 /nfs/dbraw/zinc/20/03/07/339200307.db2.gz UTZAHIHOJBATPY-SCTDSRPQSA-N 1 3 320.521 3.578 20 0 DHADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccc(OC4CCCC4)c3)C[C@@H]21 ZINC000469871227 339303281 /nfs/dbraw/zinc/30/32/81/339303281.db2.gz LJQKBPKXVCRIIW-FFZOFVMBSA-N 1 3 314.473 3.567 20 0 DHADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccccc3OC3CCCC3)C[C@@H]21 ZINC000469871989 339303306 /nfs/dbraw/zinc/30/33/06/339303306.db2.gz JHYHYIAWYGIZNZ-ZYSHUDEJSA-N 1 3 314.473 3.567 20 0 DHADHO CC(C)c1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000469982144 339306865 /nfs/dbraw/zinc/30/68/65/339306865.db2.gz MUGYVWPJJVQQHC-PMACEKPBSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CC[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000469982144 339306866 /nfs/dbraw/zinc/30/68/66/339306866.db2.gz MUGYVWPJJVQQHC-PMACEKPBSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000469982144 339306867 /nfs/dbraw/zinc/30/68/67/339306867.db2.gz MUGYVWPJJVQQHC-PMACEKPBSA-N 1 3 300.490 3.769 20 0 DHADHO CC(C)c1ccc(CCN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000469982144 339306868 /nfs/dbraw/zinc/30/68/68/339306868.db2.gz MUGYVWPJJVQQHC-PMACEKPBSA-N 1 3 300.490 3.769 20 0 DHADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)C1CCC(F)(F)CC1 ZINC000474032211 339397836 /nfs/dbraw/zinc/39/78/36/339397836.db2.gz JJOAHMFUPKEXEB-HNNXBMFYSA-N 1 3 302.453 3.912 20 0 DHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000474052672 339399357 /nfs/dbraw/zinc/39/93/57/339399357.db2.gz BPTXLAFIQJAIDL-CLCXKQKWSA-N 1 3 316.489 3.880 20 0 DHADHO CCCN(CCC)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000474052851 339399436 /nfs/dbraw/zinc/39/94/36/339399436.db2.gz NMNRQYVPUAENFK-IPMKNSEASA-N 1 3 310.526 3.683 20 0 DHADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000474057037 339399628 /nfs/dbraw/zinc/39/96/28/339399628.db2.gz VXYJYPRLOQMVMT-USYVTKNRSA-N 1 3 322.537 3.539 20 0 DHADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000479864090 339551352 /nfs/dbraw/zinc/55/13/52/339551352.db2.gz HKNYSZCNDQXWKK-GJYPPUQNSA-N 1 3 304.478 3.856 20 0 DHADHO C[C@H](CN1CC[C@@H](C[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500122525 340050723 /nfs/dbraw/zinc/05/07/23/340050723.db2.gz IVRVQDKAILCYRG-KGLIPLIRSA-N 1 3 314.395 3.692 20 0 DHADHO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CC1=CCN(C)CC1 ZINC000500424243 340058123 /nfs/dbraw/zinc/05/81/23/340058123.db2.gz CRUGUAMVSCCXBX-SDNWHVSQSA-N 1 3 324.390 3.960 20 0 DHADHO COC1(C)CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000500773436 340066966 /nfs/dbraw/zinc/06/69/66/340066966.db2.gz PMNDLNMNFCHRII-UHFFFAOYSA-N 1 3 318.505 3.646 20 0 DHADHO COC1(C)CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000500773436 340066967 /nfs/dbraw/zinc/06/69/67/340066967.db2.gz PMNDLNMNFCHRII-UHFFFAOYSA-N 1 3 318.505 3.646 20 0 DHADHO C[NH+](C)CCCC1CCN(CCc2ccccc2Cl)CC1 ZINC000501770103 340087815 /nfs/dbraw/zinc/08/78/15/340087815.db2.gz MLIWYGNTDQXTNS-UHFFFAOYSA-N 1 3 308.897 3.936 20 0 DHADHO CCC[N@H+](CC[C@@H]1CCCN1C)[C@H](C)c1ccccc1OC ZINC000502716544 340112167 /nfs/dbraw/zinc/11/21/67/340112167.db2.gz PDEZGNLOAZNTFU-SJORKVTESA-N 1 3 304.478 3.953 20 0 DHADHO CCC[N@@H+](CC[C@@H]1CCCN1C)[C@H](C)c1ccccc1OC ZINC000502716544 340112168 /nfs/dbraw/zinc/11/21/68/340112168.db2.gz PDEZGNLOAZNTFU-SJORKVTESA-N 1 3 304.478 3.953 20 0 DHADHO CN(C)CCOc1ccccc1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503015888 340118737 /nfs/dbraw/zinc/11/87/37/340118737.db2.gz QZUODZVNXWSMGV-UXHICEINSA-N 1 3 324.468 3.520 20 0 DHADHO CC[NH+](CC)CC1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000506865218 340203023 /nfs/dbraw/zinc/20/30/23/340203023.db2.gz DTAISEBNHAMVAG-UHFFFAOYSA-N 1 3 314.473 3.516 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN([C@H]3CCCc4ccc(F)cc43)CC[C@H]21 ZINC000510393959 340297808 /nfs/dbraw/zinc/29/78/08/340297808.db2.gz HMQFTGNEXNRDMU-LZQZEXGQSA-N 1 3 302.437 3.619 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN([C@H]3CCCc4ccc(F)cc43)CC[C@H]21 ZINC000510393959 340297809 /nfs/dbraw/zinc/29/78/09/340297809.db2.gz HMQFTGNEXNRDMU-LZQZEXGQSA-N 1 3 302.437 3.619 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+]([C@H]3CCCc4ccc(F)cc43)CC[C@H]21 ZINC000510393959 340297810 /nfs/dbraw/zinc/29/78/10/340297810.db2.gz HMQFTGNEXNRDMU-LZQZEXGQSA-N 1 3 302.437 3.619 20 0 DHADHO CN1CCC[C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)CC[C@H]21 ZINC000510393959 340297811 /nfs/dbraw/zinc/29/78/11/340297811.db2.gz HMQFTGNEXNRDMU-LZQZEXGQSA-N 1 3 302.437 3.619 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000510688740 340306658 /nfs/dbraw/zinc/30/66/58/340306658.db2.gz SIGHSBDPNQGRNJ-XWIAVFTESA-N 1 3 308.416 3.502 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000510688740 340306659 /nfs/dbraw/zinc/30/66/59/340306659.db2.gz SIGHSBDPNQGRNJ-XWIAVFTESA-N 1 3 308.416 3.502 20 0 DHADHO CN(C)CC1(C[NH2+]C/C=C\c2ccc(F)c(F)c2)CCCC1 ZINC000511910249 340342613 /nfs/dbraw/zinc/34/26/13/340342613.db2.gz IFIVZQNRLQVLSJ-WAYWQWQTSA-N 1 3 308.416 3.690 20 0 DHADHO COc1ccc([C@@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000173422599 340364633 /nfs/dbraw/zinc/36/46/33/340364633.db2.gz WKOXRCFXRHYSTR-RDTXWAMCSA-N 1 3 322.493 3.721 20 0 DHADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCCC(F)(F)F)CC2)C1 ZINC000513030739 340389655 /nfs/dbraw/zinc/38/96/55/340389655.db2.gz VCXBZHKZYXNXGX-ZFWWWQNUSA-N 1 3 306.416 3.962 20 0 DHADHO COC1CCC(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000513334098 340402853 /nfs/dbraw/zinc/40/28/53/340402853.db2.gz DWPWOXDPUAKRDS-KTLDDFEXSA-N 1 3 322.537 3.824 20 0 DHADHO COc1ccsc1[C@H](C)NCCCC[NH+]1CCC(C)CC1 ZINC000186110608 340508305 /nfs/dbraw/zinc/50/83/05/340508305.db2.gz YDFVJJPILHKUMV-HNNXBMFYSA-N 1 3 310.507 3.919 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)CN1CCCCC1 ZINC000222437186 340536646 /nfs/dbraw/zinc/53/66/46/340536646.db2.gz BZYUKWJWYGBCQZ-KFWWJZLASA-N 1 3 306.416 3.819 20 0 DHADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1ccc(OC)cc1F ZINC000123778954 340794876 /nfs/dbraw/zinc/79/48/76/340794876.db2.gz HYZADNPCYZYYFD-LSDHHAIUSA-N 1 3 310.457 3.995 20 0 DHADHO Cc1ccc(CCCN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000542278919 341003285 /nfs/dbraw/zinc/00/32/85/341003285.db2.gz XBUVWPFJUMDUGG-HXUWFJFHSA-N 1 3 300.490 3.735 20 0 DHADHO Cc1ccc(CCC[N@@H+]2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000542278919 341003286 /nfs/dbraw/zinc/00/32/86/341003286.db2.gz XBUVWPFJUMDUGG-HXUWFJFHSA-N 1 3 300.490 3.735 20 0 DHADHO Cc1ccc(CCC[N@H+]2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000542278919 341003287 /nfs/dbraw/zinc/00/32/87/341003287.db2.gz XBUVWPFJUMDUGG-HXUWFJFHSA-N 1 3 300.490 3.735 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000543092887 341031486 /nfs/dbraw/zinc/03/14/86/341031486.db2.gz HBSMWVRVTMHDJF-LPHOPBHVSA-N 1 3 318.480 3.811 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000543092887 341031487 /nfs/dbraw/zinc/03/14/87/341031487.db2.gz HBSMWVRVTMHDJF-LPHOPBHVSA-N 1 3 318.480 3.811 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000543092887 341031488 /nfs/dbraw/zinc/03/14/88/341031488.db2.gz HBSMWVRVTMHDJF-LPHOPBHVSA-N 1 3 318.480 3.811 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000543092887 341031489 /nfs/dbraw/zinc/03/14/89/341031489.db2.gz HBSMWVRVTMHDJF-LPHOPBHVSA-N 1 3 318.480 3.811 20 0 DHADHO C[NH+](C)CCC1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000543140706 341033763 /nfs/dbraw/zinc/03/37/63/341033763.db2.gz RLLGYUDPBUQOGF-GOSISDBHSA-N 1 3 306.881 3.991 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000544021518 341066892 /nfs/dbraw/zinc/06/68/92/341066892.db2.gz XBDSHNKRLSLWDH-PKOBYXMFSA-N 1 3 318.480 3.955 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000544021518 341066893 /nfs/dbraw/zinc/06/68/93/341066893.db2.gz XBDSHNKRLSLWDH-PKOBYXMFSA-N 1 3 318.480 3.955 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000544021518 341066894 /nfs/dbraw/zinc/06/68/94/341066894.db2.gz XBDSHNKRLSLWDH-PKOBYXMFSA-N 1 3 318.480 3.955 20 0 DHADHO COc1cc(C)ccc1[C@@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000546936392 341187500 /nfs/dbraw/zinc/18/75/00/341187500.db2.gz WQGZUWKPKXYGRR-MRXNPFEDSA-N 1 3 304.478 3.776 20 0 DHADHO Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000548155753 341249887 /nfs/dbraw/zinc/24/98/87/341249887.db2.gz QIBIQQYOMOKXHZ-HKUYNNGSSA-N 1 3 312.457 3.631 20 0 DHADHO Cc1ccc(CCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000548155753 341249888 /nfs/dbraw/zinc/24/98/88/341249888.db2.gz QIBIQQYOMOKXHZ-HKUYNNGSSA-N 1 3 312.457 3.631 20 0 DHADHO Cc1ccc(CCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000548155753 341249889 /nfs/dbraw/zinc/24/98/89/341249889.db2.gz QIBIQQYOMOKXHZ-HKUYNNGSSA-N 1 3 312.457 3.631 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OC(C)C)[C@@H](C)C1 ZINC000245413473 341292279 /nfs/dbraw/zinc/29/22/79/341292279.db2.gz BLRWIFKOGNTPCG-WMZOPIPTSA-N 1 3 304.478 3.636 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OC(C)C)[C@@H](C)C1 ZINC000245413473 341292280 /nfs/dbraw/zinc/29/22/80/341292280.db2.gz BLRWIFKOGNTPCG-WMZOPIPTSA-N 1 3 304.478 3.636 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)nc3ccccc23)[C@@H](C)C1 ZINC000245422488 341292709 /nfs/dbraw/zinc/29/27/09/341292709.db2.gz IWUQOYPFHQWHIA-MGPUTAFESA-N 1 3 311.473 3.705 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)nc3ccccc23)[C@@H](C)C1 ZINC000245422488 341292710 /nfs/dbraw/zinc/29/27/10/341292710.db2.gz IWUQOYPFHQWHIA-MGPUTAFESA-N 1 3 311.473 3.705 20 0 DHADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000261543599 341296631 /nfs/dbraw/zinc/29/66/31/341296631.db2.gz DBRWLBZUTRKYRE-CTNGQTDRSA-N 1 3 324.468 3.525 20 0 DHADHO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CCN(CC)C3)oc21 ZINC000245830162 341315671 /nfs/dbraw/zinc/31/56/71/341315671.db2.gz BNZSZTKXWJHOOH-CABCVRRESA-N 1 3 316.445 3.824 20 0 DHADHO CC[NH+](CC)Cc1cccc(CN[C@H]2COc3ccccc3C2)c1 ZINC000550621098 341319802 /nfs/dbraw/zinc/31/98/02/341319802.db2.gz BUZRMTHRLHOFDY-HXUWFJFHSA-N 1 3 324.468 3.622 20 0 DHADHO C[C@@H]([NH2+]C1(CN[C@@H]2CCOC2(C)C)CCCC1)c1ccccc1 ZINC000551051437 341330159 /nfs/dbraw/zinc/33/01/59/341330159.db2.gz OLPLLOSYPBLUGR-SJLPKXTDSA-N 1 3 316.489 3.807 20 0 DHADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(C)c1 ZINC000551084235 341331159 /nfs/dbraw/zinc/33/11/59/341331159.db2.gz TXYPAICHTHGXRE-TZIWHRDSSA-N 1 3 324.468 3.929 20 0 DHADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(C)c1 ZINC000551084235 341331160 /nfs/dbraw/zinc/33/11/60/341331160.db2.gz TXYPAICHTHGXRE-TZIWHRDSSA-N 1 3 324.468 3.929 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)C1 ZINC000246738267 341356623 /nfs/dbraw/zinc/35/66/23/341356623.db2.gz GNWLPCGZNOYYEL-PBHICJAKSA-N 1 3 322.880 3.794 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000247075957 341360615 /nfs/dbraw/zinc/36/06/15/341360615.db2.gz QMKLBTVAWSDDAK-UZLBHIALSA-N 1 3 316.489 3.783 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000247152972 341361540 /nfs/dbraw/zinc/36/15/40/341361540.db2.gz SYNNKRAFSVSWOA-BRWVUGGUSA-N 1 3 304.478 3.509 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)C1 ZINC000247153002 341361601 /nfs/dbraw/zinc/36/16/01/341361601.db2.gz SYNNKRAFSVSWOA-YESZJQIVSA-N 1 3 304.478 3.509 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000261558421 341372131 /nfs/dbraw/zinc/37/21/31/341372131.db2.gz SJFWPFQLXJWZRS-PZJWPPBQSA-N 1 3 324.468 3.525 20 0 DHADHO CCC[N@H+](C)C[C@H]1CCN([C@H](C)CCc2cccc(F)c2)C1 ZINC000248386417 341376124 /nfs/dbraw/zinc/37/61/24/341376124.db2.gz MNLQZMNNQDPVRI-SJLPKXTDSA-N 1 3 306.469 3.811 20 0 DHADHO CCC[N@@H+](C)C[C@H]1CCN([C@H](C)CCc2cccc(F)c2)C1 ZINC000248386417 341376125 /nfs/dbraw/zinc/37/61/25/341376125.db2.gz MNLQZMNNQDPVRI-SJLPKXTDSA-N 1 3 306.469 3.811 20 0 DHADHO CCCN(C)C[C@H]1CC[N@@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248386417 341376126 /nfs/dbraw/zinc/37/61/26/341376126.db2.gz MNLQZMNNQDPVRI-SJLPKXTDSA-N 1 3 306.469 3.811 20 0 DHADHO CCCN(C)C[C@H]1CC[N@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248386417 341376127 /nfs/dbraw/zinc/37/61/27/341376127.db2.gz MNLQZMNNQDPVRI-SJLPKXTDSA-N 1 3 306.469 3.811 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Oc1ccccc1Cl ZINC000552276161 341383386 /nfs/dbraw/zinc/38/33/86/341383386.db2.gz NOUXDTOGEFXPMD-MUIFIZLQSA-N 1 3 322.880 3.570 20 0 DHADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Oc1ccccc1Cl ZINC000552276161 341383387 /nfs/dbraw/zinc/38/33/87/341383387.db2.gz NOUXDTOGEFXPMD-MUIFIZLQSA-N 1 3 322.880 3.570 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000553331569 341426065 /nfs/dbraw/zinc/42/60/65/341426065.db2.gz MPVCGVAYZACUQX-DLBZAZTESA-N 1 3 309.457 3.915 20 0 DHADHO COc1cc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)ccc1OCC(C)C ZINC000567752733 341631715 /nfs/dbraw/zinc/63/17/15/341631715.db2.gz VYJAMCKTVFWYRK-XIRDDKMYSA-N 1 3 320.477 3.651 20 0 DHADHO COc1cccc([C@H]2C[C@H](N[C@H](C)C[C@@H]3CCCCC[NH2+]3)C2)c1 ZINC000423164205 518166704 /nfs/dbraw/zinc/16/67/04/518166704.db2.gz SIDQYCPQSLBYER-OQIJWPOYSA-N 1 3 316.489 3.842 20 0 DHADHO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCN(CC)C3)oc21 ZINC000181527231 521438082 /nfs/dbraw/zinc/43/80/82/521438082.db2.gz BNZSZTKXWJHOOH-GJZGRUSLSA-N 1 3 316.445 3.824 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000163316993 521717866 /nfs/dbraw/zinc/71/78/66/521717866.db2.gz FVJOXIRTJLPQGG-DLBZAZTESA-N 1 3 309.457 3.741 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000163316993 521717867 /nfs/dbraw/zinc/71/78/67/521717867.db2.gz FVJOXIRTJLPQGG-DLBZAZTESA-N 1 3 309.457 3.741 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000163316993 521717868 /nfs/dbraw/zinc/71/78/68/521717868.db2.gz FVJOXIRTJLPQGG-DLBZAZTESA-N 1 3 309.457 3.741 20 0 DHADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000338389412 523822240 /nfs/dbraw/zinc/82/22/40/523822240.db2.gz RYMSUCVHGBZHLP-KGLIPLIRSA-N 1 3 304.400 3.525 20 0 DHADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000338389412 523822247 /nfs/dbraw/zinc/82/22/47/523822247.db2.gz RYMSUCVHGBZHLP-KGLIPLIRSA-N 1 3 304.400 3.525 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(-c2cccnc2)c1 ZINC000364172115 524910056 /nfs/dbraw/zinc/91/00/56/524910056.db2.gz XDSKXXWEKPTINC-GUXCAODWSA-N 1 3 309.457 3.567 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(-c2cccnc2)c1 ZINC000364172115 524910065 /nfs/dbraw/zinc/91/00/65/524910065.db2.gz XDSKXXWEKPTINC-GUXCAODWSA-N 1 3 309.457 3.567 20 0 DHADHO C[C@H]1C[C@H](N[C@@H]2CCc3cc(Br)ccc32)CC[N@@H+]1C ZINC000156156479 524930271 /nfs/dbraw/zinc/93/02/71/524930271.db2.gz UBGDZCJEMMWINT-SGIREYDYSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@H]1C[C@H](N[C@@H]2CCc3cc(Br)ccc32)CC[N@H+]1C ZINC000156156479 524930286 /nfs/dbraw/zinc/93/02/86/524930286.db2.gz UBGDZCJEMMWINT-SGIREYDYSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@]1(CN)CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000339414387 525244930 /nfs/dbraw/zinc/24/49/30/525244930.db2.gz WQSQXPDRBHQTND-MRXNPFEDSA-N 1 3 314.395 3.699 20 0 DHADHO C[C@]1(CN)CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000339414387 525244932 /nfs/dbraw/zinc/24/49/32/525244932.db2.gz WQSQXPDRBHQTND-MRXNPFEDSA-N 1 3 314.395 3.699 20 0 DHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2cccn2C)cc1 ZINC000161651648 526251635 /nfs/dbraw/zinc/25/16/35/526251635.db2.gz VUVAIISDPZBFGM-KRWDZBQOSA-N 1 3 311.473 3.689 20 0 DHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2cccn2C)cc1 ZINC000161651648 526251637 /nfs/dbraw/zinc/25/16/37/526251637.db2.gz VUVAIISDPZBFGM-KRWDZBQOSA-N 1 3 311.473 3.689 20 0 DHADHO Cc1ncc([C@@H](C)NCC2CC[NH+](CCC(C)C)CC2)c(C)n1 ZINC000163580773 527305863 /nfs/dbraw/zinc/30/58/63/527305863.db2.gz AZYWOOFSRCUGCR-OAHLLOKOSA-N 1 3 318.509 3.502 20 0 DHADHO CN(C)Cc1ccc(C[NH2+]CCSCc2ccccc2)cc1 ZINC000340204726 536011246 /nfs/dbraw/zinc/01/12/46/536011246.db2.gz ZFGBLLRNCKEGNS-UHFFFAOYSA-N 1 3 314.498 3.771 20 0 DHADHO Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCS2 ZINC000037649410 1013207649 /nfs/dbraw/zinc/20/76/49/1013207649.db2.gz RULDNJQMCZAOLM-MLGOLLRUSA-N 1 3 322.905 3.951 20 0 DHADHO CCC[NH+]1CCC(NCc2cc3c(cccc3O)s2)CC1 ZINC000894385077 1013228703 /nfs/dbraw/zinc/22/87/03/1013228703.db2.gz QJUYQKIKSNHRRJ-UHFFFAOYSA-N 1 3 304.459 3.571 20 0 DHADHO CC(C)[N@H+](CCCN)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173082441 1033534378 /nfs/dbraw/zinc/53/43/78/1033534378.db2.gz MDLMKRPSMGZLGM-CYBMUJFWSA-N 1 3 318.383 3.575 20 0 DHADHO CC(C)[N@@H+](CCCN)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173082441 1033534392 /nfs/dbraw/zinc/53/43/92/1033534392.db2.gz MDLMKRPSMGZLGM-CYBMUJFWSA-N 1 3 318.383 3.575 20 0 DHADHO Fc1ccc([C@@H]2C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167969477 1013374715 /nfs/dbraw/zinc/37/47/15/1013374715.db2.gz CMAQOQJCVZHFTN-OLPBJYBYSA-N 1 3 314.448 3.677 20 0 DHADHO Fc1ccc([C@@H]2C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167969477 1013374723 /nfs/dbraw/zinc/37/47/23/1013374723.db2.gz CMAQOQJCVZHFTN-OLPBJYBYSA-N 1 3 314.448 3.677 20 0 DHADHO Fc1cccc(F)c1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167973909 1013412309 /nfs/dbraw/zinc/41/23/09/1013412309.db2.gz QUCGRWGXXGBCLX-MQVJKMGUSA-N 1 3 320.427 3.502 20 0 DHADHO Fc1cccc(F)c1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973909 1013412316 /nfs/dbraw/zinc/41/23/16/1013412316.db2.gz QUCGRWGXXGBCLX-MQVJKMGUSA-N 1 3 320.427 3.502 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@H]2CCc3c2cc(F)cc3F)c1 ZINC000120991780 1013427283 /nfs/dbraw/zinc/42/72/83/1013427283.db2.gz LCRQKXFZYFEPQN-IBGZPJMESA-N 1 3 316.395 3.804 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)[C@H]1CCCN(C2CCC2)C1 ZINC000519769011 1013600932 /nfs/dbraw/zinc/60/09/32/1013600932.db2.gz HUAHGJPTKHIPGW-LNLFQRSKSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H](NC[C@@H]1CCC2(CCCC2)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519769011 1013600935 /nfs/dbraw/zinc/60/09/35/1013600935.db2.gz HUAHGJPTKHIPGW-LNLFQRSKSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H](NC[C@@H]1CCC2(CCCC2)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000519769011 1013600938 /nfs/dbraw/zinc/60/09/38/1013600938.db2.gz HUAHGJPTKHIPGW-LNLFQRSKSA-N 1 3 320.521 3.721 20 0 DHADHO c1ccc2c(c1)nccc2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000520308207 1013703352 /nfs/dbraw/zinc/70/33/52/1013703352.db2.gz GFZIAJBXSWRZBG-UHFFFAOYSA-N 1 3 317.436 3.865 20 0 DHADHO c1coc([C@@H](CNc2ccnc3ccccc32)[NH+]2CCCCC2)c1 ZINC000520308841 1013703756 /nfs/dbraw/zinc/70/37/56/1013703756.db2.gz OQLXWJXHXGAALV-LJQANCHMSA-N 1 3 321.424 3.889 20 0 DHADHO Cc1ccc([C@H](CNc2ccnc3ccccc32)[NH+](C)C)cc1 ZINC000520318240 1013708040 /nfs/dbraw/zinc/70/80/40/1013708040.db2.gz FKTBVCAIHDFHTI-FQEVSTJZSA-N 1 3 305.425 3.680 20 0 DHADHO CC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000655847819 1013774617 /nfs/dbraw/zinc/77/46/17/1013774617.db2.gz DESIXWQGWMMVKS-MOPGFXCFSA-N 1 3 308.510 3.721 20 0 DHADHO CC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000655847819 1013774625 /nfs/dbraw/zinc/77/46/25/1013774625.db2.gz DESIXWQGWMMVKS-MOPGFXCFSA-N 1 3 308.510 3.721 20 0 DHADHO Cc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(Cl)c1 ZINC000655942667 1013838743 /nfs/dbraw/zinc/83/87/43/1013838743.db2.gz WXKXGRLSONURIC-KBAYOESNSA-N 1 3 322.880 3.509 20 0 DHADHO C[C@H](c1ccc(Cl)cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312628487 1013939327 /nfs/dbraw/zinc/93/93/27/1013939327.db2.gz BRMGSWZVPPVFNP-UPJWGTAASA-N 1 3 313.272 3.986 20 0 DHADHO c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001167429365 1014281500 /nfs/dbraw/zinc/28/15/00/1014281500.db2.gz ISPCXEMLFRJKFS-AZUAARDMSA-N 1 3 312.501 3.914 20 0 DHADHO c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001167429365 1014281505 /nfs/dbraw/zinc/28/15/05/1014281505.db2.gz ISPCXEMLFRJKFS-AZUAARDMSA-N 1 3 312.501 3.914 20 0 DHADHO c1ccc2c(c1)CC[C@@H]2CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001167429365 1014281511 /nfs/dbraw/zinc/28/15/11/1014281511.db2.gz ISPCXEMLFRJKFS-AZUAARDMSA-N 1 3 312.501 3.914 20 0 DHADHO COC[C@@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(C)C ZINC000580695194 1014293685 /nfs/dbraw/zinc/29/36/85/1014293685.db2.gz VAYHAHQKUYAHRL-QGZVFWFLSA-N 1 3 312.542 3.926 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)C2(c3ccccc3)CCCC2)C1 ZINC000520648502 1014400418 /nfs/dbraw/zinc/40/04/18/1014400418.db2.gz BVZHCVOLLMHGGP-MSOLQXFVSA-N 1 3 300.490 3.818 20 0 DHADHO C[NH+](C)CCCC1CCN(CCc2cccc(F)c2F)CC1 ZINC000580856401 1014408891 /nfs/dbraw/zinc/40/88/91/1014408891.db2.gz LFTQFQDFTHWMQR-UHFFFAOYSA-N 1 3 310.432 3.561 20 0 DHADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)[C@@H](C)C2 ZINC000665273447 1014636043 /nfs/dbraw/zinc/63/60/43/1014636043.db2.gz XGNJQTLAODYNCQ-XBHMSOGKSA-N 1 3 309.457 3.741 20 0 DHADHO N[C@@H]1C[C@H]([NH2+]CCc2nsc3ccccc32)c2ccccc21 ZINC000665276165 1014641019 /nfs/dbraw/zinc/64/10/19/1014641019.db2.gz ZLDYOFFPEDRVQQ-WBVHZDCISA-N 1 3 309.438 3.573 20 0 DHADHO CCOc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1OCC ZINC000665279374 1014662212 /nfs/dbraw/zinc/66/22/12/1014662212.db2.gz BBVWVTSYWCBUPB-GOEBONIOSA-N 1 3 308.466 3.508 20 0 DHADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000665281073 1014667156 /nfs/dbraw/zinc/66/71/56/1014667156.db2.gz TZJNMAUHMOGNIH-BXUZGUMPSA-N 1 3 304.356 3.609 20 0 DHADHO FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+]CC23CC(C2)CN3)c1 ZINC000665280193 1014669429 /nfs/dbraw/zinc/66/94/29/1014669429.db2.gz VKEREEDPCQOCAR-KDFVVIITSA-N 1 3 324.390 3.683 20 0 DHADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442712981 1014721177 /nfs/dbraw/zinc/72/11/77/1014721177.db2.gz HJWLXIQVNPKSJG-FXQLRMTLSA-N 1 3 302.453 3.768 20 0 DHADHO CC(C)c1ccc([C@@H](NC[C@@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000522038174 1014870407 /nfs/dbraw/zinc/87/04/07/1014870407.db2.gz WDLSGPDQISMIHA-UXHICEINSA-N 1 3 318.505 3.552 20 0 DHADHO CC(C)c1ccc([C@@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000522038174 1014870421 /nfs/dbraw/zinc/87/04/21/1014870421.db2.gz WDLSGPDQISMIHA-UXHICEINSA-N 1 3 318.505 3.552 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000166355023 1014973461 /nfs/dbraw/zinc/97/34/61/1014973461.db2.gz HXMLTLQNOPCATC-GQIGUUNPSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000166355023 1014973467 /nfs/dbraw/zinc/97/34/67/1014973467.db2.gz HXMLTLQNOPCATC-GQIGUUNPSA-N 1 3 309.457 3.882 20 0 DHADHO CCOC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(C)C ZINC000474087542 1014991575 /nfs/dbraw/zinc/99/15/75/1014991575.db2.gz GVERNENUIXMUBL-NZSAHSFTSA-N 1 3 310.526 3.680 20 0 DHADHO C[C@H](N)c1ccn(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001168023883 1015055214 /nfs/dbraw/zinc/05/52/14/1015055214.db2.gz YSAUFCJPJTZUCI-OAGGEKHMSA-N 1 3 312.461 3.517 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000033829383 1015152339 /nfs/dbraw/zinc/15/23/39/1015152339.db2.gz KGINNJCVISGZNG-PZJWPPBQSA-N 1 3 308.469 3.926 20 0 DHADHO COC1CCC(CN2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC000895932271 1015367402 /nfs/dbraw/zinc/36/74/02/1015367402.db2.gz LVRFZMSTVNTXRF-UHFFFAOYSA-N 1 3 308.510 3.532 20 0 DHADHO CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1OC ZINC000341435413 1015373343 /nfs/dbraw/zinc/37/33/43/1015373343.db2.gz RGFJHPZQFJQGPG-NVXWUHKLSA-N 1 3 320.477 3.619 20 0 DHADHO Cc1cc(C[N@@H+](C)C2CCN(C(C)C)CC2)c2c(n1)CCCC2 ZINC000891562201 1015394005 /nfs/dbraw/zinc/39/40/05/1015394005.db2.gz PJYCEIGPLWNKEA-UHFFFAOYSA-N 1 3 315.505 3.573 20 0 DHADHO Cc1cc(C[N@H+](C)C2CCN(C(C)C)CC2)c2c(n1)CCCC2 ZINC000891562201 1015394016 /nfs/dbraw/zinc/39/40/16/1015394016.db2.gz PJYCEIGPLWNKEA-UHFFFAOYSA-N 1 3 315.505 3.573 20 0 DHADHO Cc1nn(C(C)C)c(C)c1CN(C)CCCC[NH+]1CCCCC1 ZINC000896027822 1015418836 /nfs/dbraw/zinc/41/88/36/1015418836.db2.gz MCKJZFDBYBZMPF-UHFFFAOYSA-N 1 3 320.525 3.779 20 0 DHADHO CC[NH+](CC)CCCN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000276834571 1015695599 /nfs/dbraw/zinc/69/55/99/1015695599.db2.gz BNXIOYOLCAXXND-RTBURBONSA-N 1 3 322.468 3.710 20 0 DHADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000276834571 1015695602 /nfs/dbraw/zinc/69/56/02/1015695602.db2.gz BNXIOYOLCAXXND-RTBURBONSA-N 1 3 322.468 3.710 20 0 DHADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000276834571 1015695607 /nfs/dbraw/zinc/69/56/07/1015695607.db2.gz BNXIOYOLCAXXND-RTBURBONSA-N 1 3 322.468 3.710 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)C1 ZINC000281380577 1016482804 /nfs/dbraw/zinc/48/28/04/1016482804.db2.gz XFEXTOCPBQFEMX-GUDVDZBRSA-N 1 3 315.505 3.738 20 0 DHADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346632679 1016489452 /nfs/dbraw/zinc/48/94/52/1016489452.db2.gz DMQSMSMIDIXKPF-OLZOCXBDSA-N 1 3 304.434 3.723 20 0 DHADHO CCSCC[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000336711905 1016703339 /nfs/dbraw/zinc/70/33/39/1016703339.db2.gz LOLPLOIYWACIQE-SFHVURJKSA-N 1 3 306.519 3.631 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccc(OC)cc1 ZINC000336851241 1016720686 /nfs/dbraw/zinc/72/06/86/1016720686.db2.gz LPDLEYFFDXQKSS-VQIMIIECSA-N 1 3 304.478 3.858 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](CCCOC)c2ccc(F)cc2)C1 ZINC000281954430 1016831635 /nfs/dbraw/zinc/83/16/35/1016831635.db2.gz MHGFXGUNECBGKW-LPHOPBHVSA-N 1 3 322.468 3.615 20 0 DHADHO CCC[N@H+]1CC[C@@H](CN[C@@H](CCCOC)c2ccc(F)cc2)C1 ZINC000281954430 1016831648 /nfs/dbraw/zinc/83/16/48/1016831648.db2.gz MHGFXGUNECBGKW-LPHOPBHVSA-N 1 3 322.468 3.615 20 0 DHADHO Cc1ccccc1C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C1CC1 ZINC000671294815 1016865177 /nfs/dbraw/zinc/86/51/77/1016865177.db2.gz LHYASHJUUGTSIH-OXJNMPFZSA-N 1 3 300.490 3.638 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)C[C@H]1C ZINC001167586646 1016982376 /nfs/dbraw/zinc/98/23/76/1016982376.db2.gz PJRGNUYRQDPGPF-BGTYHANMSA-N 1 3 322.443 3.840 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)C[C@H]1C ZINC001167586646 1016982383 /nfs/dbraw/zinc/98/23/83/1016982383.db2.gz PJRGNUYRQDPGPF-BGTYHANMSA-N 1 3 322.443 3.840 20 0 DHADHO Cc1ccc2[nH]c(CN3CCCC34CC[NH+](C)CC4)cc2c1C ZINC000475131444 1016983000 /nfs/dbraw/zinc/98/30/00/1016983000.db2.gz UKWOZQALUHTISK-UHFFFAOYSA-N 1 3 311.473 3.845 20 0 DHADHO CCN1CC[C@H]([N@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)C[C@@H]1C ZINC001167586730 1016985861 /nfs/dbraw/zinc/98/58/61/1016985861.db2.gz PJRGNUYRQDPGPF-DKIMLUQUSA-N 1 3 322.443 3.840 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)C[C@H]2[C@H](c3ccccc3)C2(F)F)C[C@@H]1C ZINC001167586730 1016985872 /nfs/dbraw/zinc/98/58/72/1016985872.db2.gz PJRGNUYRQDPGPF-DKIMLUQUSA-N 1 3 322.443 3.840 20 0 DHADHO CCN(CC)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623356915 1016986473 /nfs/dbraw/zinc/98/64/73/1016986473.db2.gz OKYZEXIUIDCTDV-IRXDYDNUSA-N 1 3 323.550 3.593 20 0 DHADHO CCN(CC)[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623356915 1016986486 /nfs/dbraw/zinc/98/64/86/1016986486.db2.gz OKYZEXIUIDCTDV-IRXDYDNUSA-N 1 3 323.550 3.593 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1(C)C ZINC000623357257 1016993759 /nfs/dbraw/zinc/99/37/59/1016993759.db2.gz FSERKQQDHUPOIH-ZDUSSCGKSA-N 1 3 318.358 3.807 20 0 DHADHO C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(Cl)c1 ZINC000623432410 1017044318 /nfs/dbraw/zinc/04/43/18/1017044318.db2.gz QNCOXXVVCFCIFF-ZFWWWQNUSA-N 1 3 310.869 3.570 20 0 DHADHO C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Oc1cccc(Cl)c1 ZINC000623432410 1017044326 /nfs/dbraw/zinc/04/43/26/1017044326.db2.gz QNCOXXVVCFCIFF-ZFWWWQNUSA-N 1 3 310.869 3.570 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C)cc2C)[C@H](C)C1 ZINC000115628306 1017079610 /nfs/dbraw/zinc/07/96/10/1017079610.db2.gz HSNOWYDPHNBFTQ-QUCCMNQESA-N 1 3 318.505 3.530 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(C)cc2C)[C@H](C)C1 ZINC000115628306 1017079613 /nfs/dbraw/zinc/07/96/13/1017079613.db2.gz HSNOWYDPHNBFTQ-QUCCMNQESA-N 1 3 318.505 3.530 20 0 DHADHO CC1CCN(CCC[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171336535 1032433367 /nfs/dbraw/zinc/43/33/67/1032433367.db2.gz HMTSRBNOPXLBLG-KRWDZBQOSA-N 1 3 322.443 3.534 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171340550 1032452581 /nfs/dbraw/zinc/45/25/81/1032452581.db2.gz KJVLABJVRGVONS-PBHICJAKSA-N 1 3 322.443 3.676 20 0 DHADHO C[NH+](C)CCC1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000092381018 1032490084 /nfs/dbraw/zinc/49/00/84/1032490084.db2.gz XEHIREDCRWCBLS-UHFFFAOYSA-N 1 3 321.534 3.964 20 0 DHADHO CC1(C)C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC000773107177 1032562125 /nfs/dbraw/zinc/56/21/25/1032562125.db2.gz MAHHWPGMCKTORK-GOSISDBHSA-N 1 3 308.510 3.578 20 0 DHADHO COc1ccccc1-c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424367220 1012014024 /nfs/dbraw/zinc/01/40/24/1012014024.db2.gz KVQFZHCPYNXXEZ-RTBURBONSA-N 1 3 310.441 3.722 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(SCC(F)F)cc1 ZINC000424372911 1012014748 /nfs/dbraw/zinc/01/47/48/1012014748.db2.gz IUUKSMLYUDELLQ-NILFDRSVSA-N 1 3 314.445 3.964 20 0 DHADHO CC[C@@H]1CN(CCCOc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647936403 1012028060 /nfs/dbraw/zinc/02/80/60/1012028060.db2.gz DBGDEUZCAFFWEI-VQIMIIECSA-N 1 3 312.457 3.668 20 0 DHADHO CC(C)N1CCC([N@H+](C)CCOc2ccc(Cl)cc2)CC1 ZINC000514005827 1012249042 /nfs/dbraw/zinc/24/90/42/1012249042.db2.gz SUDMJGBCRZPDET-UHFFFAOYSA-N 1 3 310.869 3.523 20 0 DHADHO CC(C)N1CCC([N@@H+](C)CCOc2ccc(Cl)cc2)CC1 ZINC000514005827 1012249048 /nfs/dbraw/zinc/24/90/48/1012249048.db2.gz SUDMJGBCRZPDET-UHFFFAOYSA-N 1 3 310.869 3.523 20 0 DHADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(OC)cc2)c1 ZINC000123981903 1032668569 /nfs/dbraw/zinc/66/85/69/1032668569.db2.gz GKKAFXNBROBWLM-MRXNPFEDSA-N 1 3 312.457 3.998 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(OC)cc2)c1 ZINC000123981903 1032668589 /nfs/dbraw/zinc/66/85/89/1032668589.db2.gz GKKAFXNBROBWLM-MRXNPFEDSA-N 1 3 312.457 3.998 20 0 DHADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN(C)C)CCCO2 ZINC000425929362 1012960242 /nfs/dbraw/zinc/96/02/42/1012960242.db2.gz XIVGUIFSWVWGKK-MAUKXSAKSA-N 1 3 304.478 3.811 20 0 DHADHO COCc1ccccc1/C=C(/C)CNC[C@H]1CCCC[N@H+](C)C1 ZINC000623656751 1017154792 /nfs/dbraw/zinc/15/47/92/1017154792.db2.gz AWGTVCXBAVMMEF-XUDLPTGHSA-N 1 3 316.489 3.558 20 0 DHADHO COCc1ccccc1/C=C(/C)CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000623656751 1017154801 /nfs/dbraw/zinc/15/48/01/1017154801.db2.gz AWGTVCXBAVMMEF-XUDLPTGHSA-N 1 3 316.489 3.558 20 0 DHADHO FC1(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000716655862 1032699971 /nfs/dbraw/zinc/69/99/71/1032699971.db2.gz OSZIYIKSVLUOFG-OTWHNJEPSA-N 1 3 316.464 3.911 20 0 DHADHO FC1(F)CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716619396 1032700092 /nfs/dbraw/zinc/70/00/92/1032700092.db2.gz CVLPWZCHOXSVIQ-FJIDUMEYSA-N 1 3 320.427 3.817 20 0 DHADHO CC(C)(F)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716726675 1032702192 /nfs/dbraw/zinc/70/21/92/1032702192.db2.gz GEQOTLPLHGKUIS-BZSNNMDCSA-N 1 3 304.453 3.767 20 0 DHADHO CC(C)CC[NH+]1CCC(CN[C@H]2CCCc3scnc32)CC1 ZINC000623903859 1017571635 /nfs/dbraw/zinc/57/16/35/1017571635.db2.gz QFDVMVRVYOQJDZ-INIZCTEOSA-N 1 3 321.534 3.868 20 0 DHADHO C[C@@H]1CCC[C@@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613181 1017573259 /nfs/dbraw/zinc/57/32/59/1017573259.db2.gz HOBDPGMNNCZWMA-YLJYHZDGSA-N 1 3 315.505 3.710 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cnc2ccsc2c1 ZINC000624120542 1017692502 /nfs/dbraw/zinc/69/25/02/1017692502.db2.gz BLAGFXMGZIXHAM-KGLIPLIRSA-N 1 3 303.475 3.679 20 0 DHADHO CCC[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000624120620 1017693013 /nfs/dbraw/zinc/69/30/13/1017693013.db2.gz CNHQVSUGKCIGEN-QFBILLFUSA-N 1 3 304.478 3.858 20 0 DHADHO CCC[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000624120620 1017693019 /nfs/dbraw/zinc/69/30/19/1017693019.db2.gz CNHQVSUGKCIGEN-QFBILLFUSA-N 1 3 304.478 3.858 20 0 DHADHO CCC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(OC)cc1 ZINC000624120620 1017693027 /nfs/dbraw/zinc/69/30/27/1017693027.db2.gz CNHQVSUGKCIGEN-QFBILLFUSA-N 1 3 304.478 3.858 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123656 1017695818 /nfs/dbraw/zinc/69/58/18/1017695818.db2.gz PVZWJYUNSFAXFS-HUUCEWRRSA-N 1 3 310.432 3.607 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000624123267 1017696690 /nfs/dbraw/zinc/69/66/90/1017696690.db2.gz IVXZXZJWJCGLCZ-IPMKNSEASA-N 1 3 315.505 3.738 20 0 DHADHO CCc1ccc([C@H](C)NCc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000120986921 1017836231 /nfs/dbraw/zinc/83/62/31/1017836231.db2.gz BUCNUWRJRDKJQL-ZDUSSCGKSA-N 1 3 304.409 3.894 20 0 DHADHO CN1CCCC[C@H]1CC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528575256 1017911964 /nfs/dbraw/zinc/91/19/64/1017911964.db2.gz RJHYUUPQCFNKRA-KRWDZBQOSA-N 1 3 320.452 3.543 20 0 DHADHO C[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccccn1 ZINC000658063974 1018012538 /nfs/dbraw/zinc/01/25/38/1018012538.db2.gz MCCRVYGSCLJCGO-MBOZVWFJSA-N 1 3 315.505 3.818 20 0 DHADHO CC[NH+](CC)C[C@H]1CCN([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183361528 1018013829 /nfs/dbraw/zinc/01/38/29/1018013829.db2.gz OQZWNFALQDZWJC-FUHWJXTLSA-N 1 3 306.469 3.811 20 0 DHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ccn(C)c2)cc1 ZINC000123272388 1018058566 /nfs/dbraw/zinc/05/85/66/1018058566.db2.gz GJVWDQFEUSWQNI-KRWDZBQOSA-N 1 3 311.473 3.689 20 0 DHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccn(C)c2)cc1 ZINC000123272388 1018058581 /nfs/dbraw/zinc/05/85/81/1018058581.db2.gz GJVWDQFEUSWQNI-KRWDZBQOSA-N 1 3 311.473 3.689 20 0 DHADHO C[C@@H](c1cc(Cl)ccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380299061 1018141239 /nfs/dbraw/zinc/14/12/39/1018141239.db2.gz HKCOPYWDOGJOBF-RWMBFGLXSA-N 1 3 313.272 3.986 20 0 DHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(OC)cc2)c1 ZINC000123981664 1018143105 /nfs/dbraw/zinc/14/31/05/1018143105.db2.gz GKKAFXNBROBWLM-INIZCTEOSA-N 1 3 312.457 3.998 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(OC)cc2)c1 ZINC000123981664 1018143109 /nfs/dbraw/zinc/14/31/09/1018143109.db2.gz GKKAFXNBROBWLM-INIZCTEOSA-N 1 3 312.457 3.998 20 0 DHADHO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658162436 1018184881 /nfs/dbraw/zinc/18/48/81/1018184881.db2.gz DFFSLCVVCJFILW-PMACEKPBSA-N 1 3 315.505 3.852 20 0 DHADHO CCC(C)(C)[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164740 1018190020 /nfs/dbraw/zinc/19/00/20/1018190020.db2.gz OSVVBZUVRDWEDP-INIZCTEOSA-N 1 3 303.494 3.708 20 0 DHADHO CCC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCC1 ZINC000658163882 1018196285 /nfs/dbraw/zinc/19/62/85/1018196285.db2.gz LPMWWNQFAKZYMU-HXUWFJFHSA-N 1 3 315.505 3.852 20 0 DHADHO CC1CC[NH+](Cc2cccc(CNCc3ccn(C)c3)c2)CC1 ZINC000125017033 1018234091 /nfs/dbraw/zinc/23/40/91/1018234091.db2.gz ICRAZIIHMVVMFP-UHFFFAOYSA-N 1 3 311.473 3.547 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@]3(C)CC3(F)F)CC2)C1 ZINC000658217115 1018284579 /nfs/dbraw/zinc/28/45/79/1018284579.db2.gz DQTPZOXKDIRJIK-BMFZPTHFSA-N 1 3 300.437 3.664 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000447811144 1018482380 /nfs/dbraw/zinc/48/23/80/1018482380.db2.gz CWPVSJIPJJKBTE-IRXDYDNUSA-N 1 3 310.844 3.628 20 0 DHADHO Fc1cccc(Cl)c1CCCN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000447811144 1018482386 /nfs/dbraw/zinc/48/23/86/1018482386.db2.gz CWPVSJIPJJKBTE-IRXDYDNUSA-N 1 3 310.844 3.628 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCCc2cccc3cccnc32)c2ccccc21 ZINC000261843417 1018561010 /nfs/dbraw/zinc/56/10/10/1018561010.db2.gz IWOYUZVTTKVOQS-RTBURBONSA-N 1 3 303.409 3.512 20 0 DHADHO C[NH2+]Cc1ccccc1CNCc1cccc(C(F)(F)F)c1 ZINC000650718668 1018564361 /nfs/dbraw/zinc/56/43/61/1018564361.db2.gz SGTURUWVQFCODV-UHFFFAOYSA-N 1 3 308.347 3.715 20 0 DHADHO C[C@@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000647299432 1018567329 /nfs/dbraw/zinc/56/73/29/1018567329.db2.gz GUFVAIXUVMGQIF-KGLIPLIRSA-N 1 3 300.437 3.807 20 0 DHADHO CCC[NH+]1CCC(N[C@@H](C)COc2c(C)cccc2C)CC1 ZINC000675769614 1018584014 /nfs/dbraw/zinc/58/40/14/1018584014.db2.gz CAAKJQFUVITBNE-KRWDZBQOSA-N 1 3 304.478 3.535 20 0 DHADHO Cc1cccc2c1CC[C@H]([NH2+]CCCN1CCC(C)CC1)C2 ZINC001171549505 1032772599 /nfs/dbraw/zinc/77/25/99/1032772599.db2.gz BQCAHTAOMQOQAW-IBGZPJMESA-N 1 3 300.490 3.564 20 0 DHADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000650759530 1018700877 /nfs/dbraw/zinc/70/08/77/1018700877.db2.gz LNURSOZSHWVTPL-CYBMUJFWSA-N 1 3 320.383 3.858 20 0 DHADHO CCOc1cccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000765238246 1018726598 /nfs/dbraw/zinc/72/65/98/1018726598.db2.gz NOPHRQYWORUMBV-SJORKVTESA-N 1 3 304.478 3.858 20 0 DHADHO COc1c(C)cc([C@H](C)[NH2+]CC(C)(C)CN(C)C)cc1Cl ZINC000796664368 1018865931 /nfs/dbraw/zinc/86/59/31/1018865931.db2.gz WFJQWDAUTASFQX-ZDUSSCGKSA-N 1 3 312.885 3.895 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](F)C(F)(F)CC2)CC1(C)C ZINC001171629143 1032797014 /nfs/dbraw/zinc/79/70/14/1032797014.db2.gz NPYMPUBVUHIMMW-ZDUSSCGKSA-N 1 3 306.416 3.707 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CC[C@H](F)C(F)(F)CC2)CC1(C)C ZINC001171629143 1032797018 /nfs/dbraw/zinc/79/70/18/1032797018.db2.gz NPYMPUBVUHIMMW-ZDUSSCGKSA-N 1 3 306.416 3.707 20 0 DHADHO C[NH+]1C(C)(C)CC(N2CC[C@H](F)C(F)(F)CC2)CC1(C)C ZINC001171629143 1032797024 /nfs/dbraw/zinc/79/70/24/1032797024.db2.gz NPYMPUBVUHIMMW-ZDUSSCGKSA-N 1 3 306.416 3.707 20 0 DHADHO Clc1ccc(CNCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000063551724 1019054815 /nfs/dbraw/zinc/05/48/15/1019054815.db2.gz BGXCHGHWXSOKCR-UHFFFAOYSA-N 1 3 318.848 3.935 20 0 DHADHO CN1C(C)(C)CC([NH2+][C@H](c2ccncc2)C2CC2)CC1(C)C ZINC001171624835 1032806035 /nfs/dbraw/zinc/80/60/35/1032806035.db2.gz ZIVBRSFWUQIOFA-KRWDZBQOSA-N 1 3 301.478 3.774 20 0 DHADHO C[C@H](COc1ccccc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171625105 1032807431 /nfs/dbraw/zinc/80/74/31/1032807431.db2.gz BYNQFFHFFSVNSM-OAHLLOKOSA-N 1 3 304.478 3.695 20 0 DHADHO CC1(C)Cc2occc2[C@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000635011543 1019147537 /nfs/dbraw/zinc/14/75/37/1019147537.db2.gz QFUZQWQUVBDOFR-GOSISDBHSA-N 1 3 310.441 3.729 20 0 DHADHO CN1C(C)(C)CC([NH2+]C2(CC3CCC3)CCOCC2)CC1(C)C ZINC001171627332 1032810539 /nfs/dbraw/zinc/81/05/39/1032810539.db2.gz PSQOOLNPTPAAHC-UHFFFAOYSA-N 1 3 322.537 3.967 20 0 DHADHO CC(C)N1CCC([NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000624306903 1019275369 /nfs/dbraw/zinc/27/53/69/1019275369.db2.gz SWWHSPYFADGRRS-UHFFFAOYSA-N 1 3 314.395 3.754 20 0 DHADHO O[C@@H]1CCCC[C@H]1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090545487 1019407393 /nfs/dbraw/zinc/40/73/93/1019407393.db2.gz BJIFTCMWNIDJMQ-FXAWDEMLSA-N 1 3 322.537 3.704 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CCOC[C@@H]2C2CCCCC2)CC1(C)C ZINC001171640349 1032835867 /nfs/dbraw/zinc/83/58/67/1032835867.db2.gz DLXAUSRDLCJSDA-GOSISDBHSA-N 1 3 322.537 3.919 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CCOC[C@@H]2C2CCCCC2)CC1(C)C ZINC001171640349 1032835873 /nfs/dbraw/zinc/83/58/73/1032835873.db2.gz DLXAUSRDLCJSDA-GOSISDBHSA-N 1 3 322.537 3.919 20 0 DHADHO COc1ccc([C@@H](C)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647343655 1019764981 /nfs/dbraw/zinc/76/49/81/1019764981.db2.gz ZDJSVMVXFBZYRT-BSIFCXSSSA-N 1 3 324.468 3.691 20 0 DHADHO COc1ccc([C@@H](C)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647343655 1019764999 /nfs/dbraw/zinc/76/49/99/1019764999.db2.gz ZDJSVMVXFBZYRT-BSIFCXSSSA-N 1 3 324.468 3.691 20 0 DHADHO CCC[NH+]1CCC(N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166022153 1019767641 /nfs/dbraw/zinc/76/76/41/1019767641.db2.gz UXEZPXYHDCWWOV-XLIONFOSSA-N 1 3 316.489 3.618 20 0 DHADHO Cc1cc(N[C@@H]2CN(C)Cc3ccccc32)c2ccccc2[nH+]1 ZINC000534530568 1019796411 /nfs/dbraw/zinc/79/64/11/1019796411.db2.gz FSRDUXKWKZWXMN-HXUWFJFHSA-N 1 3 303.409 3.564 20 0 DHADHO c1nc2c(s1)CCC[C@@H]2NC1CCC([NH+]2CCCCC2)CC1 ZINC000858369057 1032863669 /nfs/dbraw/zinc/86/36/69/1032863669.db2.gz FYEQXUNUWMGQPG-GPANFISMSA-N 1 3 319.518 3.907 20 0 DHADHO COCC(C)(C)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000685632332 1019990517 /nfs/dbraw/zinc/99/05/17/1019990517.db2.gz ARFVOZUDLMGCBW-IBGZPJMESA-N 1 3 318.505 3.551 20 0 DHADHO Cc1cnc(Cl)c(CNC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000922505041 1020108124 /nfs/dbraw/zinc/10/81/24/1020108124.db2.gz ODMZXBDCGCEHEB-UHFFFAOYSA-N 1 3 321.896 3.930 20 0 DHADHO C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000309902982 1020180345 /nfs/dbraw/zinc/18/03/45/1020180345.db2.gz WWVRMEJGYGPPJO-KRWDZBQOSA-N 1 3 324.468 3.794 20 0 DHADHO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000309902982 1020180349 /nfs/dbraw/zinc/18/03/49/1020180349.db2.gz WWVRMEJGYGPPJO-KRWDZBQOSA-N 1 3 324.468 3.794 20 0 DHADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CC1(C)C ZINC000658167334 1020200265 /nfs/dbraw/zinc/20/02/65/1020200265.db2.gz XOZUDTIWXFUCHT-MOPGFXCFSA-N 1 3 315.505 3.708 20 0 DHADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166375 1020200585 /nfs/dbraw/zinc/20/05/85/1020200585.db2.gz UQXGSCURZPBZAF-RTBURBONSA-N 1 3 315.505 3.708 20 0 DHADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000658167340 1020200775 /nfs/dbraw/zinc/20/07/75/1020200775.db2.gz XOZUDTIWXFUCHT-RBUKOAKNSA-N 1 3 315.505 3.708 20 0 DHADHO CCSc1ccccc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922709197 1020224337 /nfs/dbraw/zinc/22/43/37/1020224337.db2.gz KKLOHALJESVLGQ-SJORKVTESA-N 1 3 304.503 3.558 20 0 DHADHO CCSc1ccccc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922709197 1020224347 /nfs/dbraw/zinc/22/43/47/1020224347.db2.gz KKLOHALJESVLGQ-SJORKVTESA-N 1 3 304.503 3.558 20 0 DHADHO c1ccc2c(c1)[nH]c1c2C[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000658229049 1020238342 /nfs/dbraw/zinc/23/83/42/1020238342.db2.gz OKNQWPHMMQDUMQ-CVEARBPZSA-N 1 3 323.484 3.632 20 0 DHADHO c1ccc2c(c1)[nH]c1c2C[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000658229049 1020238346 /nfs/dbraw/zinc/23/83/46/1020238346.db2.gz OKNQWPHMMQDUMQ-CVEARBPZSA-N 1 3 323.484 3.632 20 0 DHADHO CC(C)(C)N1CCC([NH2+]CCc2nsc3ccccc32)CC1 ZINC000658315857 1020298269 /nfs/dbraw/zinc/29/82/69/1020298269.db2.gz BOZDYFIIPTZKPY-UHFFFAOYSA-N 1 3 317.502 3.691 20 0 DHADHO CC(C)(C)[NH+]1CCC(NCCc2nsc3ccccc32)CC1 ZINC000658315857 1020298272 /nfs/dbraw/zinc/29/82/72/1020298272.db2.gz BOZDYFIIPTZKPY-UHFFFAOYSA-N 1 3 317.502 3.691 20 0 DHADHO COCc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340171041 1020368475 /nfs/dbraw/zinc/36/84/75/1020368475.db2.gz FMQNEMAHEZYDOR-NHCUHLMSSA-N 1 3 324.468 3.758 20 0 DHADHO COCc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340171041 1020368486 /nfs/dbraw/zinc/36/84/86/1020368486.db2.gz FMQNEMAHEZYDOR-NHCUHLMSSA-N 1 3 324.468 3.758 20 0 DHADHO C[N@@H+]1CC[C@@H](NCC2(C(F)(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000340395077 1020406934 /nfs/dbraw/zinc/40/69/34/1020406934.db2.gz UHADBUGVJDQCEF-HUUCEWRRSA-N 1 3 312.379 3.754 20 0 DHADHO C[N@H+]1CC[C@@H](NCC2(C(F)(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000340395077 1020406936 /nfs/dbraw/zinc/40/69/36/1020406936.db2.gz UHADBUGVJDQCEF-HUUCEWRRSA-N 1 3 312.379 3.754 20 0 DHADHO C[C@H](Cc1ccccn1)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000655836250 1020410464 /nfs/dbraw/zinc/41/04/64/1020410464.db2.gz GRQBJORKPOOGCA-MBOZVWFJSA-N 1 3 315.505 3.645 20 0 DHADHO COc1ccc(Cl)cc1C[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000734849380 1020667868 /nfs/dbraw/zinc/66/78/68/1020667868.db2.gz CYBIPVKBKGYPSC-INIZCTEOSA-N 1 3 312.885 3.805 20 0 DHADHO CC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2C)CC[C@H]1[NH3+] ZINC000647497551 1020770350 /nfs/dbraw/zinc/77/03/50/1020770350.db2.gz MAUWFWKVTLLGPD-IUODEOHRSA-N 1 3 300.368 3.573 20 0 DHADHO CCN1C[C@@H]2C[N@H+]([C@H](C)CSc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001172885613 1033457587 /nfs/dbraw/zinc/45/75/87/1033457587.db2.gz QYDZFRODNRPXAC-KFWWJZLASA-N 1 3 324.921 3.704 20 0 DHADHO CCN1C[C@@H]2C[N@@H+]([C@H](C)CSc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001172885613 1033457592 /nfs/dbraw/zinc/45/75/92/1033457592.db2.gz QYDZFRODNRPXAC-KFWWJZLASA-N 1 3 324.921 3.704 20 0 DHADHO C[C@@H](N)c1nccn1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967313 1032936577 /nfs/dbraw/zinc/93/65/77/1032936577.db2.gz YYRBHWQWHOCQIN-WBVHZDCISA-N 1 3 312.461 3.519 20 0 DHADHO C[C@@H](N)c1nccn1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967313 1032936588 /nfs/dbraw/zinc/93/65/88/1032936588.db2.gz YYRBHWQWHOCQIN-WBVHZDCISA-N 1 3 312.461 3.519 20 0 DHADHO CC[NH+]1CCC(NCc2cn(C(F)F)c3ccccc23)CC1 ZINC000858537998 1032937582 /nfs/dbraw/zinc/93/75/82/1032937582.db2.gz ZRHBQGLQTGVPET-UHFFFAOYSA-N 1 3 307.388 3.610 20 0 DHADHO CC1(C)C[C@@H]([NH2+]Cc2cncs2)CCN1Cc1ccccc1 ZINC001171965779 1032938328 /nfs/dbraw/zinc/93/83/28/1032938328.db2.gz RJSVKWJTKPCWTM-INIZCTEOSA-N 1 3 315.486 3.676 20 0 DHADHO Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000537881823 1032938381 /nfs/dbraw/zinc/93/83/81/1032938381.db2.gz BCBOMBWBKFCQTB-QUCCMNQESA-N 1 3 323.484 3.605 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414182375 1020969278 /nfs/dbraw/zinc/96/92/78/1020969278.db2.gz MYZKVJKCCJDRAS-ASUKHRCTSA-N 1 3 310.844 3.653 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414182375 1020969280 /nfs/dbraw/zinc/96/92/80/1020969280.db2.gz MYZKVJKCCJDRAS-ASUKHRCTSA-N 1 3 310.844 3.653 20 0 DHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCC[C@H]1F ZINC000414297079 1021069978 /nfs/dbraw/zinc/06/99/78/1021069978.db2.gz YGGOBKRSIFKUKP-JCHJZTRSSA-N 1 3 304.453 3.767 20 0 DHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCC[C@H]1F ZINC000414297079 1021069986 /nfs/dbraw/zinc/06/99/86/1021069986.db2.gz YGGOBKRSIFKUKP-JCHJZTRSSA-N 1 3 304.453 3.767 20 0 DHADHO COC1([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000414308504 1021078979 /nfs/dbraw/zinc/07/89/79/1021078979.db2.gz QLZGCADGRSZERL-XYJFISCASA-N 1 3 308.510 3.577 20 0 DHADHO COC1([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000414308504 1021078982 /nfs/dbraw/zinc/07/89/82/1021078982.db2.gz QLZGCADGRSZERL-XYJFISCASA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000537964264 1032955210 /nfs/dbraw/zinc/95/52/10/1032955210.db2.gz KZTMVMMDAMHWEH-KBXCAEBGSA-N 1 3 322.468 3.754 20 0 DHADHO Cc1ccc(C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)nc1 ZINC000134416831 1021155785 /nfs/dbraw/zinc/15/57/85/1021155785.db2.gz DKKPALFRLLDKCU-ROUUACIJSA-N 1 3 323.484 3.636 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000538059174 1032982036 /nfs/dbraw/zinc/98/20/36/1032982036.db2.gz NTVIBXNHXDDEEG-KXBFYZLASA-N 1 3 304.453 3.988 20 0 DHADHO CC(C)CN1CCC([NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850422754 1021525001 /nfs/dbraw/zinc/52/50/01/1021525001.db2.gz BRCRRNVUCVHVPS-MRXNPFEDSA-N 1 3 316.489 3.783 20 0 DHADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123221 1021556789 /nfs/dbraw/zinc/55/67/89/1021556789.db2.gz IFEYKCDUHCIXNB-KGLIPLIRSA-N 1 3 312.860 3.732 20 0 DHADHO CC(C)OCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064088 1032990329 /nfs/dbraw/zinc/99/03/29/1032990329.db2.gz FNOBBIBLUBUWDH-OWZKRDHZSA-N 1 3 316.489 3.587 20 0 DHADHO CC(C)OCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064088 1032990334 /nfs/dbraw/zinc/99/03/34/1032990334.db2.gz FNOBBIBLUBUWDH-OWZKRDHZSA-N 1 3 316.489 3.587 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(-c3ccccn3)c2)[C@H](C)C1 ZINC000093639320 1021637187 /nfs/dbraw/zinc/63/71/87/1021637187.db2.gz XXMJCPZHLNMRFO-DYESRHJHSA-N 1 3 323.484 3.911 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(-c3ccccn3)c2)[C@H](C)C1 ZINC000093639320 1021637193 /nfs/dbraw/zinc/63/71/93/1021637193.db2.gz XXMJCPZHLNMRFO-DYESRHJHSA-N 1 3 323.484 3.911 20 0 DHADHO Cc1ccc(CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000309796686 1021707431 /nfs/dbraw/zinc/70/74/31/1021707431.db2.gz IVXXURDKDPLSLX-NRFANRHFSA-N 1 3 308.469 3.997 20 0 DHADHO Cc1ccc(CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000309796686 1021707449 /nfs/dbraw/zinc/70/74/49/1021707449.db2.gz IVXXURDKDPLSLX-NRFANRHFSA-N 1 3 308.469 3.997 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](c1ccnc(Cl)c1)C1CC1)C2 ZINC001172109267 1033010326 /nfs/dbraw/zinc/01/03/26/1033010326.db2.gz JGXZUDCOSRILRC-KYHPRHEASA-N 1 3 319.880 3.791 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](c1ccnc(Cl)c1)C1CC1)C2 ZINC001172109267 1033010343 /nfs/dbraw/zinc/01/03/43/1033010343.db2.gz JGXZUDCOSRILRC-KYHPRHEASA-N 1 3 319.880 3.791 20 0 DHADHO COc1c(F)cccc1[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172115738 1033018763 /nfs/dbraw/zinc/01/87/63/1033018763.db2.gz ZTGWXKWXIYGOKU-APIJFGDWSA-N 1 3 306.425 3.500 20 0 DHADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000538305410 1033029370 /nfs/dbraw/zinc/02/93/70/1033029370.db2.gz QMYABZDPZAEHIC-UYAOXDASSA-N 1 3 302.506 3.919 20 0 DHADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000538305410 1033029382 /nfs/dbraw/zinc/02/93/82/1033029382.db2.gz QMYABZDPZAEHIC-UYAOXDASSA-N 1 3 302.506 3.919 20 0 DHADHO C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2F)CCC[C@H]1C[NH3+] ZINC001205993653 1022147240 /nfs/dbraw/zinc/14/72/40/1022147240.db2.gz IFCJDMBZRWHFGF-NEPJUHHUSA-N 1 3 318.358 3.651 20 0 DHADHO Cc1nc(CNC2CCC([NH+]3CCC(C)CC3)CC2)sc1C ZINC000893189683 1022197406 /nfs/dbraw/zinc/19/74/06/1022197406.db2.gz QYGQSUKTMVEUKC-UHFFFAOYSA-N 1 3 321.534 3.893 20 0 DHADHO Cc1cccc(CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000309907775 1022238716 /nfs/dbraw/zinc/23/87/16/1022238716.db2.gz QZXBHIKQXYSODN-NRFANRHFSA-N 1 3 308.469 3.997 20 0 DHADHO Cc1cccc(CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309907775 1022238729 /nfs/dbraw/zinc/23/87/29/1022238729.db2.gz QZXBHIKQXYSODN-NRFANRHFSA-N 1 3 308.469 3.997 20 0 DHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000659974484 1022274221 /nfs/dbraw/zinc/27/42/21/1022274221.db2.gz MWBIYSVPCZBBPM-ICSRJNTNSA-N 1 3 312.501 3.770 20 0 DHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000659974484 1022274230 /nfs/dbraw/zinc/27/42/30/1022274230.db2.gz MWBIYSVPCZBBPM-ICSRJNTNSA-N 1 3 312.501 3.770 20 0 DHADHO Cc1nc2ccc(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)cc2[nH]1 ZINC001169147165 1022277801 /nfs/dbraw/zinc/27/78/01/1022277801.db2.gz SQJDETSWRIQFEB-KSSFIOAISA-N 1 3 300.450 3.827 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H](Sc3ccc(F)cc3)C1)C2 ZINC001169155765 1022285264 /nfs/dbraw/zinc/28/52/64/1022285264.db2.gz UMXBPBCPCNANRG-LHHMISFZSA-N 1 3 320.477 3.617 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H](Sc3ccc(F)cc3)C1)C2 ZINC001169155765 1022285275 /nfs/dbraw/zinc/28/52/75/1022285275.db2.gz UMXBPBCPCNANRG-LHHMISFZSA-N 1 3 320.477 3.617 20 0 DHADHO CC[NH+]1CCC(N2CCC(Sc3ccccc3)CC2)CC1 ZINC001169261719 1022319230 /nfs/dbraw/zinc/31/92/30/1022319230.db2.gz MPUQIEZDKAIMIQ-UHFFFAOYSA-N 1 3 304.503 3.727 20 0 DHADHO CC(C)CO[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1(C)C ZINC000538394679 1033050954 /nfs/dbraw/zinc/05/09/54/1033050954.db2.gz KDCCUUPGCXIZRT-MOPGFXCFSA-N 1 3 322.537 3.823 20 0 DHADHO C[C@H]([NH2+]Cc1ccsc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272175968 1022493816 /nfs/dbraw/zinc/49/38/16/1022493816.db2.gz JBNBCYRTMUIOLI-YJBOKZPZSA-N 1 3 300.471 3.748 20 0 DHADHO C[NH+]1CCC(C)(CNCc2nc(-c3ccccc3)cs2)CC1 ZINC000272394868 1022501516 /nfs/dbraw/zinc/50/15/16/1022501516.db2.gz AGFWRZFOUGYKJQ-UHFFFAOYSA-N 1 3 315.486 3.632 20 0 DHADHO COCCC[NH+]1CCC(NC/C=C(\C)CCC=C(C)C)CC1 ZINC001172247746 1033065805 /nfs/dbraw/zinc/06/58/05/1033065805.db2.gz UTGAAMXUEFJSAC-GIJQJNRQSA-N 1 3 308.510 3.770 20 0 DHADHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000158230610 1022616877 /nfs/dbraw/zinc/61/68/77/1022616877.db2.gz LNQRUQIRYPXMGD-CJNGLKHVSA-N 1 3 312.404 3.671 20 0 DHADHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000158230610 1022616884 /nfs/dbraw/zinc/61/68/84/1022616884.db2.gz LNQRUQIRYPXMGD-CJNGLKHVSA-N 1 3 312.404 3.671 20 0 DHADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000159045927 1022684645 /nfs/dbraw/zinc/68/46/45/1022684645.db2.gz RALKNUIIDMFGRE-KRWDZBQOSA-N 1 3 318.505 3.962 20 0 DHADHO CC[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)CC(F)F ZINC000660256640 1022822796 /nfs/dbraw/zinc/82/27/96/1022822796.db2.gz MODKSAKMVICWSB-ILXRZTDVSA-N 1 3 302.453 3.910 20 0 DHADHO CC[C@H](C)OCC[C@@H](C)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001172320133 1033085769 /nfs/dbraw/zinc/08/57/69/1033085769.db2.gz VIUHVZOHWFWTSR-ZIFCJYIRSA-N 1 3 306.494 3.863 20 0 DHADHO Cc1cc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000621775524 1022870235 /nfs/dbraw/zinc/87/02/35/1022870235.db2.gz QVHXCGGCWKATSL-RTWAWAEBSA-N 1 3 323.484 3.562 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@H](CC)c2ccc3c(c2)CCCO3)C1 ZINC000768096350 1022881618 /nfs/dbraw/zinc/88/16/18/1022881618.db2.gz JEJFBKLKJFQPNK-VQIMIIECSA-N 1 3 316.489 3.784 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@H](CC)c2ccc3c(c2)CCCO3)C1 ZINC000768096350 1022881634 /nfs/dbraw/zinc/88/16/34/1022881634.db2.gz JEJFBKLKJFQPNK-VQIMIIECSA-N 1 3 316.489 3.784 20 0 DHADHO [NH3+]CCC[C@@H](NCc1scnc1C1CC1)c1ccccc1 ZINC000415046596 1023007440 /nfs/dbraw/zinc/00/74/40/1023007440.db2.gz CVHFPYFBJVHBEY-OAHLLOKOSA-N 1 3 301.459 3.590 20 0 DHADHO C[C@@H]1C[C@@H](N[C@H](CCC[NH3+])c2ccccc2)c2ccccc2O1 ZINC000925678378 1023088652 /nfs/dbraw/zinc/08/86/52/1023088652.db2.gz DCMWVXFUSBVRJK-ATZDWAIDSA-N 1 3 310.441 3.969 20 0 DHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H]1CCC=CO1 ZINC000194212527 1023159823 /nfs/dbraw/zinc/15/98/23/1023159823.db2.gz JALNTIIZLCVCLH-PXNSSMCTSA-N 1 3 314.473 3.843 20 0 DHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H]1CCC=CO1 ZINC000194212527 1023159828 /nfs/dbraw/zinc/15/98/28/1023159828.db2.gz JALNTIIZLCVCLH-PXNSSMCTSA-N 1 3 314.473 3.843 20 0 DHADHO COC[C@@H](CC(C)(C)C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000651728622 1023502308 /nfs/dbraw/zinc/50/23/08/1023502308.db2.gz DZQIVOCYJBUVRU-QGZVFWFLSA-N 1 3 310.526 3.824 20 0 DHADHO COC[C@@H](CC(C)(C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000651728622 1023502313 /nfs/dbraw/zinc/50/23/13/1023502313.db2.gz DZQIVOCYJBUVRU-QGZVFWFLSA-N 1 3 310.526 3.824 20 0 DHADHO C[C@@H](CN1CCC[C@H](CCF)C1)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661691124 1023665107 /nfs/dbraw/zinc/66/51/07/1023665107.db2.gz TWFWQAXNZPIEKI-BCDXTJNWSA-N 1 3 316.480 3.766 20 0 DHADHO C[C@@H](CN1CCC[C@H](CCF)C1)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000661691124 1023665109 /nfs/dbraw/zinc/66/51/09/1023665109.db2.gz TWFWQAXNZPIEKI-BCDXTJNWSA-N 1 3 316.480 3.766 20 0 DHADHO C[C@H](CN1CCC[C@@H](CCF)C1)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661691124 1023665112 /nfs/dbraw/zinc/66/51/12/1023665112.db2.gz TWFWQAXNZPIEKI-BCDXTJNWSA-N 1 3 316.480 3.766 20 0 DHADHO C[C@H](CN1CCC[C@@H](CCF)C1)C[N@H+]1CCC[C@H](CCF)C1 ZINC000661691124 1023665114 /nfs/dbraw/zinc/66/51/14/1023665114.db2.gz TWFWQAXNZPIEKI-BCDXTJNWSA-N 1 3 316.480 3.766 20 0 DHADHO C[C@H](c1nc2ccccc2s1)N(C)CC1CC[NH+](C)CC1 ZINC000788488630 1023893757 /nfs/dbraw/zinc/89/37/57/1023893757.db2.gz RKLBJUUNPGBGBC-CYBMUJFWSA-N 1 3 303.475 3.631 20 0 DHADHO C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662249166 1024028106 /nfs/dbraw/zinc/02/81/06/1024028106.db2.gz RJVLBIKFNLDWPC-ZDUSSCGKSA-N 1 3 316.395 3.804 20 0 DHADHO CCC[NH+]1CCC(N(C)CCCOc2ccccc2C)CC1 ZINC000531143660 1024034990 /nfs/dbraw/zinc/03/49/90/1024034990.db2.gz MTANGZBEHRUXAZ-UHFFFAOYSA-N 1 3 304.478 3.570 20 0 DHADHO CC(C)[C@@H](NCc1ccc2c(c1)C[NH2+]CC2)c1ccccc1F ZINC000662302891 1024085946 /nfs/dbraw/zinc/08/59/46/1024085946.db2.gz PEIYNVDDATYWHX-HXUWFJFHSA-N 1 3 312.432 3.958 20 0 DHADHO C[C@@H]1CCCN(Cc2coc(-c3cccs3)n2)[C@@H]1CCC[NH3+] ZINC000662314292 1024101001 /nfs/dbraw/zinc/10/10/01/1024101001.db2.gz PHBHNODNRKLDNM-UKRRQHHQSA-N 1 3 319.474 3.743 20 0 DHADHO CCN(C[C@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318703 1024107144 /nfs/dbraw/zinc/10/71/44/1024107144.db2.gz DTJPRNFQOFMMHU-HIFRSBDPSA-N 1 3 314.395 3.568 20 0 DHADHO CCCOc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000193507995 1024157338 /nfs/dbraw/zinc/15/73/38/1024157338.db2.gz JDVRBYRNJNJCKB-HZPDHXFCSA-N 1 3 302.462 3.610 20 0 DHADHO CCCOc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000193507995 1024157339 /nfs/dbraw/zinc/15/73/39/1024157339.db2.gz JDVRBYRNJNJCKB-HZPDHXFCSA-N 1 3 302.462 3.610 20 0 DHADHO C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001170118982 1024161402 /nfs/dbraw/zinc/16/14/02/1024161402.db2.gz VLNXEJATRNWDKM-MAUKXSAKSA-N 1 3 304.453 3.816 20 0 DHADHO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663343815 1024170835 /nfs/dbraw/zinc/17/08/35/1024170835.db2.gz FSXMPTMLJMBDBR-IEBWSBKVSA-N 1 3 300.490 3.638 20 0 DHADHO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663343816 1024171367 /nfs/dbraw/zinc/17/13/67/1024171367.db2.gz FSXMPTMLJMBDBR-MJGOQNOKSA-N 1 3 300.490 3.638 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1Cl ZINC000531699755 1024274533 /nfs/dbraw/zinc/27/45/33/1024274533.db2.gz GERCCMOFSODYBZ-ZDUSSCGKSA-N 1 3 322.880 3.874 20 0 DHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H](CO)CCC(C)(C)C)CC2)C1 ZINC000475682593 1024312632 /nfs/dbraw/zinc/31/26/32/1024312632.db2.gz SKSARVAQRQTKHS-NZSAHSFTSA-N 1 3 324.553 3.806 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H](CO)CCC(C)(C)C)CC2)C1 ZINC000475682593 1024312650 /nfs/dbraw/zinc/31/26/50/1024312650.db2.gz SKSARVAQRQTKHS-NZSAHSFTSA-N 1 3 324.553 3.806 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CCCc2cccnc2)C1 ZINC000453115940 1024342684 /nfs/dbraw/zinc/34/26/84/1024342684.db2.gz XIVRQGRTNJQQKO-PKOBYXMFSA-N 1 3 303.494 3.503 20 0 DHADHO C[C@@H](CCCc1cccnc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000453146578 1024352693 /nfs/dbraw/zinc/35/26/93/1024352693.db2.gz XFRKKVNCZPATMW-KRWDZBQOSA-N 1 3 315.505 3.789 20 0 DHADHO CC1CCC(O)(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000663464048 1024397694 /nfs/dbraw/zinc/39/76/94/1024397694.db2.gz IERNLZPMIMGCLC-NSPNGIHDSA-N 1 3 322.537 3.560 20 0 DHADHO FC(F)C1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000663466429 1024403017 /nfs/dbraw/zinc/40/30/17/1024403017.db2.gz SUATUWBGPBKWER-FHERZECASA-N 1 3 300.437 3.522 20 0 DHADHO C[C@H](CCc1ccsc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663464673 1024406071 /nfs/dbraw/zinc/40/60/71/1024406071.db2.gz FXDHHHIGBKKZFE-CRAIPNDOSA-N 1 3 306.519 3.781 20 0 DHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCC4(COC4)CC3)CC2)C1 ZINC000883379287 1024412078 /nfs/dbraw/zinc/41/20/78/1024412078.db2.gz VOHUANTVTAMQMO-VQIMIIECSA-N 1 3 320.521 3.578 20 0 DHADHO Cc1ccc(C2CC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663466569 1024412389 /nfs/dbraw/zinc/41/23/89/1024412389.db2.gz VPXUQNFTNFJEDE-PELRDEGISA-N 1 3 312.501 3.953 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453235198 1024418134 /nfs/dbraw/zinc/41/81/34/1024418134.db2.gz TYMBVWNZRCVADP-WKULXVSPSA-N 1 3 320.427 3.673 20 0 DHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453235198 1024418141 /nfs/dbraw/zinc/41/81/41/1024418141.db2.gz TYMBVWNZRCVADP-WKULXVSPSA-N 1 3 320.427 3.673 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC000925777864 1024430390 /nfs/dbraw/zinc/43/03/90/1024430390.db2.gz HPRKTINMCJLNAD-MFKMUULPSA-N 1 3 322.321 3.601 20 0 DHADHO CC(C)Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000925778601 1024439122 /nfs/dbraw/zinc/43/91/22/1024439122.db2.gz UDYVQFMTXVISCX-PBHICJAKSA-N 1 3 310.432 3.781 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc2ccccc2c1 ZINC000925781265 1024462489 /nfs/dbraw/zinc/46/24/89/1024462489.db2.gz XQINGXWAUDLSSL-GUYCJALGSA-N 1 3 304.384 3.735 20 0 DHADHO Cc1ccc(CCC[NH2+][C@H](C)c2ccc(CN)nc2C)c(C)c1 ZINC000643457113 1024470630 /nfs/dbraw/zinc/47/06/30/1024470630.db2.gz WCCJFEFNUIAGSU-MRXNPFEDSA-N 1 3 311.473 3.749 20 0 DHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N3CCC[C@@]4(CCOC4)C3)CC2)C1 ZINC000453346500 1024474016 /nfs/dbraw/zinc/47/40/16/1024474016.db2.gz FLLXTBZOUBHOSR-YZGWKJHDSA-N 1 3 320.521 3.532 20 0 DHADHO Clc1cccc(CC2(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453379125 1024496816 /nfs/dbraw/zinc/49/68/16/1024496816.db2.gz QKRUATIPINIGQF-IAGOWNOFSA-N 1 3 304.865 3.632 20 0 DHADHO Clc1cccc(CC2(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453379125 1024496826 /nfs/dbraw/zinc/49/68/26/1024496826.db2.gz QKRUATIPINIGQF-IAGOWNOFSA-N 1 3 304.865 3.632 20 0 DHADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc2c(c1)COC2 ZINC000271479587 1024517503 /nfs/dbraw/zinc/51/75/03/1024517503.db2.gz NBLOJSCQFNZNOH-AWEZNQCLSA-N 1 3 302.462 3.630 20 0 DHADHO CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925786520 1024522330 /nfs/dbraw/zinc/52/23/30/1024522330.db2.gz WRZXYMAAZYNEJB-STQMWFEESA-N 1 3 314.445 3.694 20 0 DHADHO Fc1ccc([C@H](N[C@H]2CC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC000643536504 1024539508 /nfs/dbraw/zinc/53/95/08/1024539508.db2.gz ULZZIXDZNABTRE-RBUKOAKNSA-N 1 3 310.416 3.647 20 0 DHADHO Cc1ccc(-c2nc(CN(C)C3CCC([NH3+])CC3)cs2)cc1 ZINC000317812818 1024643976 /nfs/dbraw/zinc/64/39/76/1024643976.db2.gz UPXNJEDJTNMLOS-UHFFFAOYSA-N 1 3 315.486 3.820 20 0 DHADHO CC[C@@H]1C[C@@H]([NH+]2CCC(N)(c3ccccc3Cl)CC2)CCO1 ZINC001170192262 1024686849 /nfs/dbraw/zinc/68/68/49/1024686849.db2.gz KCAFTVQPKYJFQT-LSDHHAIUSA-N 1 3 322.880 3.547 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666239423 1024824235 /nfs/dbraw/zinc/82/42/35/1024824235.db2.gz JPUMKSUTWUQASM-ZBFHGGJFSA-N 1 3 306.881 3.517 20 0 DHADHO Cc1ccc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)nc1 ZINC000350515696 1024824951 /nfs/dbraw/zinc/82/49/51/1024824951.db2.gz TUWZSNKCXYKPHF-PZJWPPBQSA-N 1 3 323.484 3.562 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000162874044 1024917472 /nfs/dbraw/zinc/91/74/72/1024917472.db2.gz YVTLTIOYPQUOKT-FUHIMQAGSA-N 1 3 316.489 3.543 20 0 DHADHO CC(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC001204089844 1033245788 /nfs/dbraw/zinc/24/57/88/1033245788.db2.gz RQVNXPYOOMIGAI-DFQSSKMNSA-N 1 3 316.489 3.541 20 0 DHADHO C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccccc1F ZINC000120813999 1025055187 /nfs/dbraw/zinc/05/51/87/1025055187.db2.gz FXQRVTBJABQYOE-CYBMUJFWSA-N 1 3 304.384 3.877 20 0 DHADHO CC[C@H](N[C@@H](C)CC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000353513083 1025103195 /nfs/dbraw/zinc/10/31/95/1025103195.db2.gz DXKNTNNDUFQQNF-WFASDCNBSA-N 1 3 318.383 3.966 20 0 DHADHO C[NH+](C)C1CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000353647702 1025173551 /nfs/dbraw/zinc/17/35/51/1025173551.db2.gz SARQYKBJWSCNIS-QLOJAFMTSA-N 1 3 309.457 3.633 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2c(C)oc3ccccc32)[C@@H](C)C1 ZINC000353746080 1025229499 /nfs/dbraw/zinc/22/94/99/1025229499.db2.gz KTIZPJQOGGXOQD-KBXCAEBGSA-N 1 3 300.446 3.903 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2c(C)oc3ccccc32)[C@@H](C)C1 ZINC000353746080 1025229504 /nfs/dbraw/zinc/22/95/04/1025229504.db2.gz KTIZPJQOGGXOQD-KBXCAEBGSA-N 1 3 300.446 3.903 20 0 DHADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000539094275 1033274686 /nfs/dbraw/zinc/27/46/86/1033274686.db2.gz UYHAINYUUPABIO-FZKQIMNGSA-N 1 3 304.453 3.912 20 0 DHADHO COc1ccc2cc([C@H](C)NC[C@@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000124354997 1025336733 /nfs/dbraw/zinc/33/67/33/1025336733.db2.gz UXLUVRGVOUXACJ-HOTGVXAUSA-N 1 3 324.468 3.983 20 0 DHADHO COc1ccc2cc([C@H](C)NC[C@@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000124354997 1025336748 /nfs/dbraw/zinc/33/67/48/1025336748.db2.gz UXLUVRGVOUXACJ-HOTGVXAUSA-N 1 3 324.468 3.983 20 0 DHADHO CC[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccccc1OC ZINC000123708349 1025393595 /nfs/dbraw/zinc/39/35/95/1025393595.db2.gz PFSTUFJYMWNYBL-LJQANCHMSA-N 1 3 312.457 3.998 20 0 DHADHO C[C@H]1CCCC[N@@H+]1CCCCN[C@H]1CCc2c1nccc2Cl ZINC000924684863 1033284403 /nfs/dbraw/zinc/28/44/03/1033284403.db2.gz GIIJJIOLTWXAFS-YOEHRIQHSA-N 1 3 321.896 3.967 20 0 DHADHO C[C@H]1CCCC[N@H+]1CCCCN[C@H]1CCc2c1nccc2Cl ZINC000924684863 1033284415 /nfs/dbraw/zinc/28/44/15/1033284415.db2.gz GIIJJIOLTWXAFS-YOEHRIQHSA-N 1 3 321.896 3.967 20 0 DHADHO CC(C)(C)OCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000354719548 1025489685 /nfs/dbraw/zinc/48/96/85/1025489685.db2.gz UZZROUZYTYADPZ-WMZOPIPTSA-N 1 3 308.510 3.530 20 0 DHADHO CC(C)(C)OCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000354719548 1025489688 /nfs/dbraw/zinc/48/96/88/1025489688.db2.gz UZZROUZYTYADPZ-WMZOPIPTSA-N 1 3 308.510 3.530 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000125792384 1025491379 /nfs/dbraw/zinc/49/13/79/1025491379.db2.gz YMEWQOSZNPPPBE-DOTOQJQBSA-N 1 3 304.503 3.934 20 0 DHADHO C[C@@H](CCN(C)CC[C@H]1CCCC[N@@H+]1C)OCc1ccccc1 ZINC000354870396 1025530871 /nfs/dbraw/zinc/53/08/71/1025530871.db2.gz ZFUBOZQOXLPMPI-AZUAARDMSA-N 1 3 318.505 3.788 20 0 DHADHO C[C@@H](CCN(C)CC[C@H]1CCCC[N@H+]1C)OCc1ccccc1 ZINC000354870396 1025530878 /nfs/dbraw/zinc/53/08/78/1025530878.db2.gz ZFUBOZQOXLPMPI-AZUAARDMSA-N 1 3 318.505 3.788 20 0 DHADHO C([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@H]1CCCN(CC2CC2)C1 ZINC000886166894 1025542613 /nfs/dbraw/zinc/54/26/13/1025542613.db2.gz UTULWKPEHPIMGU-RTBURBONSA-N 1 3 320.521 3.580 20 0 DHADHO Cc1nc(CNC2CCC(C)([NH+]3CCCC3)CC2)sc1C ZINC000886534781 1025684153 /nfs/dbraw/zinc/68/41/53/1025684153.db2.gz OLTCTBXLYFQDBF-UHFFFAOYSA-N 1 3 307.507 3.647 20 0 DHADHO CCC1(N2CCC2)CC[NH+](CCCOCc2ccccc2)CC1 ZINC000886715887 1025827984 /nfs/dbraw/zinc/82/79/84/1025827984.db2.gz HTYNUYNAONVZIB-UHFFFAOYSA-N 1 3 316.489 3.544 20 0 DHADHO CCC1(N2CCC2)CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000886719887 1025830445 /nfs/dbraw/zinc/83/04/45/1025830445.db2.gz KUERHLRZBOTUDJ-OAHLLOKOSA-N 1 3 300.437 3.762 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2cnc(C)s2)CC1)CC1CC1 ZINC000355898994 1025878354 /nfs/dbraw/zinc/87/83/54/1025878354.db2.gz HAANGAVJLAXCPU-UHFFFAOYSA-N 1 3 321.534 3.786 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2cnc(C)s2)CC1)CC1CC1 ZINC000355898994 1025878368 /nfs/dbraw/zinc/87/83/68/1025878368.db2.gz HAANGAVJLAXCPU-UHFFFAOYSA-N 1 3 321.534 3.786 20 0 DHADHO [NH3+]C1(c2ccc(C(F)(F)F)cc2)CCN([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917483 1025925133 /nfs/dbraw/zinc/92/51/33/1025925133.db2.gz MMBICYJUJONWRI-VIKVFOODSA-N 1 3 324.390 3.754 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2cnc3ccccc3c2)c1 ZINC000729682504 1025926387 /nfs/dbraw/zinc/92/63/87/1025926387.db2.gz XJJKFSXPWUJPFT-UHFFFAOYSA-N 1 3 319.452 3.976 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2cnc3ccccc3c2)c1 ZINC000729682504 1025926400 /nfs/dbraw/zinc/92/64/00/1025926400.db2.gz XJJKFSXPWUJPFT-UHFFFAOYSA-N 1 3 319.452 3.976 20 0 DHADHO [NH3+]C1CCN(CCc2cn(-c3ccccc3)c3ccccc23)CC1 ZINC001170525711 1026078536 /nfs/dbraw/zinc/07/85/36/1026078536.db2.gz MWWGWKSASGIVFX-UHFFFAOYSA-N 1 3 319.452 3.596 20 0 DHADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419341521 1026185636 /nfs/dbraw/zinc/18/56/36/1026185636.db2.gz YUWZBLZEFSQZFW-RBUKOAKNSA-N 1 3 323.569 3.549 20 0 DHADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419341521 1026185641 /nfs/dbraw/zinc/18/56/41/1026185641.db2.gz YUWZBLZEFSQZFW-RBUKOAKNSA-N 1 3 323.569 3.549 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(-c3cccnc3)c2)[C@@H](C)C1 ZINC000245763081 1026203870 /nfs/dbraw/zinc/20/38/70/1026203870.db2.gz QDUMJOOMASFQGJ-UWJYYQICSA-N 1 3 323.484 3.911 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(-c3cccnc3)c2)[C@@H](C)C1 ZINC000245763081 1026203882 /nfs/dbraw/zinc/20/38/82/1026203882.db2.gz QDUMJOOMASFQGJ-UWJYYQICSA-N 1 3 323.484 3.911 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000571431459 1026280350 /nfs/dbraw/zinc/28/03/50/1026280350.db2.gz HJQVIVLJRWZRLZ-HOTGVXAUSA-N 1 3 321.534 3.840 20 0 DHADHO C[C@H](Cc1ccc(O)cc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000513448356 1026509676 /nfs/dbraw/zinc/50/96/76/1026509676.db2.gz SCAMGHOMTQXUQZ-APWZRJJASA-N 1 3 316.489 3.710 20 0 DHADHO C[C@H](Cc1ccc(O)cc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000513448356 1026509683 /nfs/dbraw/zinc/50/96/83/1026509683.db2.gz SCAMGHOMTQXUQZ-APWZRJJASA-N 1 3 316.489 3.710 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@H](c2cccnc2)C2CCC2)c1 ZINC000280271369 1026622558 /nfs/dbraw/zinc/62/25/58/1026622558.db2.gz KTYYQTLHMTTYEN-FQEVSTJZSA-N 1 3 309.457 3.774 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](C)[C@H](C)OC)ccc1OC ZINC000810257213 1026730747 /nfs/dbraw/zinc/73/07/47/1026730747.db2.gz NHJAWQJXLKSFFJ-OAGGEKHMSA-N 1 3 322.493 3.611 20 0 DHADHO COc1ccc([C@@H](CN)C[NH2+][C@H](c2ccccc2)C2CCC2)cc1 ZINC000420294104 1026796008 /nfs/dbraw/zinc/79/60/08/1026796008.db2.gz ANYZMVXBYXOHLE-PZJWPPBQSA-N 1 3 324.468 3.869 20 0 DHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000420297386 1026796511 /nfs/dbraw/zinc/79/65/11/1026796511.db2.gz DBYXRTYUOMKVEX-WMZOPIPTSA-N 1 3 316.470 3.636 20 0 DHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000420297386 1026796519 /nfs/dbraw/zinc/79/65/19/1026796519.db2.gz DBYXRTYUOMKVEX-WMZOPIPTSA-N 1 3 316.470 3.636 20 0 DHADHO C[C@H](c1nc2ccccc2s1)N(C)CC[C@H]1CCC[NH2+]C1 ZINC000420300342 1026801234 /nfs/dbraw/zinc/80/12/34/1026801234.db2.gz KCFGSQLTTHIOIK-ZIAGYGMSSA-N 1 3 303.475 3.679 20 0 DHADHO CC[NH+]1CCC(CN[C@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000924954221 1027281122 /nfs/dbraw/zinc/28/11/22/1027281122.db2.gz GAOFVAHJGVKHAZ-OAQYLSRUSA-N 1 3 323.484 3.801 20 0 DHADHO Cc1ccccc1[C@H](C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422741376 1027309095 /nfs/dbraw/zinc/30/90/95/1027309095.db2.gz DJBSSWIQPRFTER-SCWSEQNSSA-N 1 3 322.452 3.902 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000422747094 1027311352 /nfs/dbraw/zinc/31/13/52/1027311352.db2.gz PDZRMXASCOECDR-NEPJUHHUSA-N 1 3 303.837 3.914 20 0 DHADHO Cc1cccc(O[C@H](C)CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422778090 1027318675 /nfs/dbraw/zinc/31/86/75/1027318675.db2.gz ABEPHPXWSOXBMF-GSEOLPGOSA-N 1 3 316.489 3.663 20 0 DHADHO Cc1cccc2c(CCN[C@H]3C[C@@H]([NH3+])c4ccccc43)c[nH]c21 ZINC000422783050 1027319845 /nfs/dbraw/zinc/31/98/45/1027319845.db2.gz MOYTYYQVSMQEPQ-MOPGFXCFSA-N 1 3 305.425 3.753 20 0 DHADHO COc1ccc([C@H](C)CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422785745 1027321902 /nfs/dbraw/zinc/32/19/02/1027321902.db2.gz RKWYOQWWKWSDJW-VOBQZIQPSA-N 1 3 310.441 3.923 20 0 DHADHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422789499 1027329492 /nfs/dbraw/zinc/32/94/92/1027329492.db2.gz WXZUPYLHUTXEHU-QKNQBKEWSA-N 1 3 322.452 3.983 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCCc2c[nH]c3cc(F)ccc23)c2ccccc21 ZINC000422830811 1027335474 /nfs/dbraw/zinc/33/54/74/1027335474.db2.gz DBXPBEURHJIAOZ-IEBWSBKVSA-N 1 3 309.388 3.584 20 0 DHADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422816950 1027338789 /nfs/dbraw/zinc/33/87/89/1027338789.db2.gz BTHSPBNNMULWAI-DOMZBBRYSA-N 1 3 301.261 3.643 20 0 DHADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(COCc2ccccc2)cc1 ZINC000422867388 1027346062 /nfs/dbraw/zinc/34/60/62/1027346062.db2.gz SBSTWXOWNUAJJE-IAGOWNOFSA-N 1 3 312.457 3.619 20 0 DHADHO Cc1csc(CCCCN[C@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000422911237 1027357720 /nfs/dbraw/zinc/35/77/20/1027357720.db2.gz SJAFKGFJEQLUGS-HOTGVXAUSA-N 1 3 301.459 3.509 20 0 DHADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)c1cccc(C(F)(F)F)c1 ZINC000422910297 1027359540 /nfs/dbraw/zinc/35/95/40/1027359540.db2.gz QGDWCQWYZJRYJL-IUODEOHRSA-N 1 3 314.395 3.700 20 0 DHADHO C[C@@H]([NH2+]CCc1nc(C2CCCCC2)cs1)[C@H]1CCCCN1 ZINC000422906657 1027359836 /nfs/dbraw/zinc/35/98/36/1027359836.db2.gz ABEIPJGARLISRW-GDBMZVCRSA-N 1 3 321.534 3.854 20 0 DHADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422926075 1027361752 /nfs/dbraw/zinc/36/17/52/1027361752.db2.gz WCZGBGZDSRBYRJ-YQFWSFKMSA-N 1 3 322.880 3.618 20 0 DHADHO CC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(C)c1 ZINC000422917506 1027373538 /nfs/dbraw/zinc/37/35/38/1027373538.db2.gz FFFWGHGXPYAWRZ-GSEOLPGOSA-N 1 3 316.489 3.663 20 0 DHADHO CC(C)c1ccccc1OCC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000422955592 1027380398 /nfs/dbraw/zinc/38/03/98/1027380398.db2.gz JQTWAKOLYNYCLD-RTBURBONSA-N 1 3 310.441 3.923 20 0 DHADHO Clc1ccccc1OCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422997414 1027386212 /nfs/dbraw/zinc/38/62/12/1027386212.db2.gz AXYYEHSPBLVOIJ-HYVNUMGLSA-N 1 3 322.880 3.619 20 0 DHADHO COc1ccc(C2(CN[C@H]3C[C@H]([NH3+])c4ccccc43)CCC2)cc1 ZINC000423033687 1027396426 /nfs/dbraw/zinc/39/64/26/1027396426.db2.gz OYALGURPEHVHIY-PMACEKPBSA-N 1 3 322.452 3.851 20 0 DHADHO COc1ccc(C2(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)CCC2)cc1 ZINC000423033854 1027397003 /nfs/dbraw/zinc/39/70/03/1027397003.db2.gz OYALGURPEHVHIY-WOJBJXKFSA-N 1 3 322.452 3.851 20 0 DHADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCO[C@@H](c3ccccc3)C2)c2ccccc21 ZINC000423044044 1027399768 /nfs/dbraw/zinc/39/97/68/1027399768.db2.gz APFZYAVNNZGADR-JOCLIGHLSA-N 1 3 308.425 3.641 20 0 DHADHO c1cncc(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)c1 ZINC000423044858 1027400870 /nfs/dbraw/zinc/40/08/70/1027400870.db2.gz BXVJFESAPKGNGX-NJDAHSKKSA-N 1 3 321.468 3.759 20 0 DHADHO CCC(CC)[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000423043639 1027401500 /nfs/dbraw/zinc/40/15/00/1027401500.db2.gz PKUVUFORYHPGNJ-AXUOBQJMSA-N 1 3 302.462 3.705 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CCCc2sccc21 ZINC000423045351 1027401606 /nfs/dbraw/zinc/40/16/06/1027401606.db2.gz CSVUNZJUJFHERM-WBMJQRKESA-N 1 3 301.459 3.638 20 0 DHADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423050288 1027407232 /nfs/dbraw/zinc/40/72/32/1027407232.db2.gz YWBRCOFLYDSFJT-WDSOQIARSA-N 1 3 302.437 3.869 20 0 DHADHO CCCNc1ccc(C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000423072105 1027407573 /nfs/dbraw/zinc/40/75/73/1027407573.db2.gz GTIDTNCXEJRHMZ-CQSZACIVSA-N 1 3 312.461 3.521 20 0 DHADHO CCCNc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423072105 1027407583 /nfs/dbraw/zinc/40/75/83/1027407583.db2.gz GTIDTNCXEJRHMZ-CQSZACIVSA-N 1 3 312.461 3.521 20 0 DHADHO CCCNc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423080685 1027411062 /nfs/dbraw/zinc/41/10/62/1027411062.db2.gz ZVOMUMDISXSOGH-XUVXKRRUSA-N 1 3 315.505 3.909 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCC2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000423090834 1027413943 /nfs/dbraw/zinc/41/39/43/1027413943.db2.gz YLSBZCREFUEXCU-RTWAWAEBSA-N 1 3 321.468 3.637 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCCCc2c[nH]c3ccc(F)cc23)c2ccccc21 ZINC000423117275 1027417509 /nfs/dbraw/zinc/41/75/09/1027417509.db2.gz UPQQFQHQNDSRNL-QUCCMNQESA-N 1 3 323.415 3.974 20 0 DHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(C(C)(F)F)cc1 ZINC000423126977 1027421792 /nfs/dbraw/zinc/42/17/92/1027421792.db2.gz BKXWMBYTQPYHTP-GFCCVEGCSA-N 1 3 319.399 3.811 20 0 DHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cc2ccccc2s1 ZINC000423136508 1027435069 /nfs/dbraw/zinc/43/50/69/1027435069.db2.gz PHCPQLCZHWRYMK-KXBFYZLASA-N 1 3 324.493 3.992 20 0 DHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cc2ccccc2s1 ZINC000423136506 1027435505 /nfs/dbraw/zinc/43/55/05/1027435505.db2.gz PHCPQLCZHWRYMK-DNVCBOLYSA-N 1 3 324.493 3.992 20 0 DHADHO CCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(OC)cc1 ZINC000295819358 1027441457 /nfs/dbraw/zinc/44/14/57/1027441457.db2.gz BSVCTQNXCWVJDV-PHSGOXPASA-N 1 3 302.462 3.751 20 0 DHADHO CCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC)cc1 ZINC000295819358 1027441470 /nfs/dbraw/zinc/44/14/70/1027441470.db2.gz BSVCTQNXCWVJDV-PHSGOXPASA-N 1 3 302.462 3.751 20 0 DHADHO Fc1ccc(C[C@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423218747 1027463142 /nfs/dbraw/zinc/46/31/42/1027463142.db2.gz VYPHGMRCBLUEHD-XLIONFOSSA-N 1 3 312.432 3.699 20 0 DHADHO COc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423220869 1027463162 /nfs/dbraw/zinc/46/31/62/1027463162.db2.gz WCGLSAYETUQUGW-HRCADAONSA-N 1 3 312.457 3.887 20 0 DHADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423241143 1027471451 /nfs/dbraw/zinc/47/14/51/1027471451.db2.gz DECUGAIGEJKXDC-CHWSQXEVSA-N 1 3 319.449 3.599 20 0 DHADHO CCC(N)(CC)C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423281164 1027480324 /nfs/dbraw/zinc/48/03/24/1027480324.db2.gz AOTWBSGMSLAYDU-STQMWFEESA-N 1 3 305.491 3.895 20 0 DHADHO CCC([NH3+])(CC)CN[C@H](C)Cc1ccccc1C(F)(F)F ZINC000423292905 1027482753 /nfs/dbraw/zinc/48/27/53/1027482753.db2.gz OXPLPPYTHIEWLO-GFCCVEGCSA-N 1 3 302.384 3.744 20 0 DHADHO CC[C@@H]([NH2+]CC(N)(CC)CC)c1ccc(OC(F)F)cc1 ZINC000423286761 1027483300 /nfs/dbraw/zinc/48/33/00/1027483300.db2.gz IOAFWYXMBYIXSY-CQSZACIVSA-N 1 3 300.393 3.846 20 0 DHADHO COc1cccc2cc([C@H](C)N[C@@H]3CCCC[C@@H]3C[NH3+])oc21 ZINC000423269329 1027490658 /nfs/dbraw/zinc/49/06/58/1027490658.db2.gz FKXXYXWDSNTJAE-NWANDNLSSA-N 1 3 302.418 3.610 20 0 DHADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423280698 1027492944 /nfs/dbraw/zinc/49/29/44/1027492944.db2.gz UITUEXKOARVMIN-HNAYVOBHSA-N 1 3 312.457 3.996 20 0 DHADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423280697 1027493758 /nfs/dbraw/zinc/49/37/58/1027493758.db2.gz UITUEXKOARVMIN-DNVCBOLYSA-N 1 3 312.457 3.996 20 0 DHADHO C[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc2ccccc2c1OC(F)F ZINC000423275625 1027493933 /nfs/dbraw/zinc/49/39/33/1027493933.db2.gz MACAQEPFUPHWJQ-BDJLRTHQSA-N 1 3 320.383 3.829 20 0 DHADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423314852 1027497206 /nfs/dbraw/zinc/49/72/06/1027497206.db2.gz HYWHMLHMYAZOPV-XHDPSFHLSA-N 1 3 304.434 3.942 20 0 DHADHO C[C@@H](C[NH3+])CN[C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423308888 1027497714 /nfs/dbraw/zinc/49/77/14/1027497714.db2.gz PCSIOKRGALBBKN-BLLLJJGKSA-N 1 3 308.878 3.870 20 0 DHADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423310007 1027497731 /nfs/dbraw/zinc/49/77/31/1027497731.db2.gz RAXXZBPUNPEVHU-KCPJHIHWSA-N 1 3 300.368 3.526 20 0 DHADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423318323 1027499381 /nfs/dbraw/zinc/49/93/81/1027499381.db2.gz DQQMGSLFVXGBAS-HNNXBMFYSA-N 1 3 310.441 3.894 20 0 DHADHO COc1ccc([C@@H](C)NC[C@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC000423343682 1027516280 /nfs/dbraw/zinc/51/62/80/1027516280.db2.gz XBFIXJKNEQHLBR-FOIQADDNSA-N 1 3 312.457 3.889 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@]1(C)CCC[NH2+]C1 ZINC000423349121 1027518022 /nfs/dbraw/zinc/51/80/22/1027518022.db2.gz VEAJFJCZQCMWFZ-UYAOXDASSA-N 1 3 311.473 3.833 20 0 DHADHO CCCOc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423365198 1027524251 /nfs/dbraw/zinc/52/42/51/1027524251.db2.gz WGHRAHCYVNIAKC-OAHLLOKOSA-N 1 3 310.441 3.929 20 0 DHADHO Cc1cc2c(cc1C)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CCCO2 ZINC000423393152 1027535041 /nfs/dbraw/zinc/53/50/41/1027535041.db2.gz QNDCTRVKTBJGGJ-HXUWFJFHSA-N 1 3 322.452 3.910 20 0 DHADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)c(Cl)c1 ZINC000423403839 1027537435 /nfs/dbraw/zinc/53/74/35/1027537435.db2.gz XIQDZKXDJLOBSQ-LLVKDONJSA-N 1 3 304.796 3.933 20 0 DHADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H](CCc1ccccc1)c1ccccc1 ZINC000423408362 1027539525 /nfs/dbraw/zinc/53/95/25/1027539525.db2.gz XIUZVTJMGFOBBR-DUXKGJEZSA-N 1 3 308.469 3.948 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423449205 1027546490 /nfs/dbraw/zinc/54/64/90/1027546490.db2.gz RCPUZLWWPNIMLN-COPLHBTASA-N 1 3 319.449 3.652 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1)[C@H](C)N ZINC000423437142 1027552319 /nfs/dbraw/zinc/55/23/19/1027552319.db2.gz GDAARXFLJYLGBS-AXFHLTTASA-N 1 3 306.397 3.727 20 0 DHADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000423461807 1027554825 /nfs/dbraw/zinc/55/48/25/1027554825.db2.gz KFOICBHWRPWNLP-LSDHHAIUSA-N 1 3 315.486 3.823 20 0 DHADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423470380 1027558025 /nfs/dbraw/zinc/55/80/25/1027558025.db2.gz PHDYKIFSBXYKCX-BXUZGUMPSA-N 1 3 319.449 3.654 20 0 DHADHO CC(C)CN1CCC([NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296173502 1027564299 /nfs/dbraw/zinc/56/42/99/1027564299.db2.gz XUOKURFCMCQIFW-MRXNPFEDSA-N 1 3 321.896 3.822 20 0 DHADHO COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCCNC2CC2)cc1F ZINC000423533502 1027578191 /nfs/dbraw/zinc/57/81/91/1027578191.db2.gz XQNYKQKUZFDQMN-AEFFLSMTSA-N 1 3 320.452 3.592 20 0 DHADHO C[C@H]([NH2+][C@@H]1CNC[C@H]1c1ccccc1)C1CCC(F)(F)CC1 ZINC000423526709 1027580894 /nfs/dbraw/zinc/58/08/94/1027580894.db2.gz LLECYZQLOCOYIH-RRQGHBQHSA-N 1 3 308.416 3.546 20 0 DHADHO C[C@H](NCCC1=CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000423541597 1027584030 /nfs/dbraw/zinc/58/40/30/1027584030.db2.gz SIFFJDLOLAYFHM-AWEZNQCLSA-N 1 3 313.470 3.771 20 0 DHADHO Cc1cc(C[N@@H+](C)CCCN(C)C)ccc1Oc1cccnc1 ZINC000577442838 1027774599 /nfs/dbraw/zinc/77/45/99/1027774599.db2.gz DKMXSRAURPSHNY-UHFFFAOYSA-N 1 3 313.445 3.566 20 0 DHADHO Cc1cc(C[N@H+](C)CCCN(C)C)ccc1Oc1cccnc1 ZINC000577442838 1027774616 /nfs/dbraw/zinc/77/46/16/1027774616.db2.gz DKMXSRAURPSHNY-UHFFFAOYSA-N 1 3 313.445 3.566 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2ccc3cc[nH]c3c2)c1 ZINC000527654547 1027825425 /nfs/dbraw/zinc/82/54/25/1027825425.db2.gz RMTXNHJKCGXTCD-UHFFFAOYSA-N 1 3 307.441 3.909 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc3cc[nH]c3c2)c1 ZINC000527654547 1027825445 /nfs/dbraw/zinc/82/54/45/1027825445.db2.gz RMTXNHJKCGXTCD-UHFFFAOYSA-N 1 3 307.441 3.909 20 0 DHADHO C[C@H](NCC(C)(C)c1c(F)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000562959553 1027828205 /nfs/dbraw/zinc/82/82/05/1027828205.db2.gz IACYNSJJVWBWDB-QWHCGFSZSA-N 1 3 312.860 3.734 20 0 DHADHO COc1cccc(Cl)c1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000577681241 1027883327 /nfs/dbraw/zinc/88/33/27/1027883327.db2.gz NHSGNQMRKUFSSX-OAHLLOKOSA-N 1 3 322.880 3.512 20 0 DHADHO CC[C@@H](C)c1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000527856027 1027921330 /nfs/dbraw/zinc/92/13/30/1027921330.db2.gz XYJYCQRFJBGHNM-SJORKVTESA-N 1 3 318.505 3.698 20 0 DHADHO C[C@H](CCc1ccco1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000578209436 1028089598 /nfs/dbraw/zinc/08/95/98/1028089598.db2.gz BKECHJHYUSOXOU-AEFFLSMTSA-N 1 3 304.478 3.987 20 0 DHADHO C[C@H](CCc1ccco1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000578209436 1028089618 /nfs/dbraw/zinc/08/96/18/1028089618.db2.gz BKECHJHYUSOXOU-AEFFLSMTSA-N 1 3 304.478 3.987 20 0 DHADHO C[C@@H](CCc1ccco1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000578209437 1028092479 /nfs/dbraw/zinc/09/24/79/1028092479.db2.gz BKECHJHYUSOXOU-FUHWJXTLSA-N 1 3 304.478 3.987 20 0 DHADHO C[C@@H](CCc1ccco1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000578209437 1028092498 /nfs/dbraw/zinc/09/24/98/1028092498.db2.gz BKECHJHYUSOXOU-FUHWJXTLSA-N 1 3 304.478 3.987 20 0 DHADHO C[C@H](CCc1ccco1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000578209438 1028093259 /nfs/dbraw/zinc/09/32/59/1028093259.db2.gz BKECHJHYUSOXOU-SJLPKXTDSA-N 1 3 304.478 3.987 20 0 DHADHO C[C@H](CCc1ccco1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000578209438 1028093274 /nfs/dbraw/zinc/09/32/74/1028093274.db2.gz BKECHJHYUSOXOU-SJLPKXTDSA-N 1 3 304.478 3.987 20 0 DHADHO Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000367593278 1028211285 /nfs/dbraw/zinc/21/12/85/1028211285.db2.gz HEADHRATAKKOLH-MJGOQNOKSA-N 1 3 309.457 3.563 20 0 DHADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(-c2cncnc2)cc1 ZINC000367655980 1028222322 /nfs/dbraw/zinc/22/23/22/1028222322.db2.gz FFFCPCTVSWJOTC-OXJNMPFZSA-N 1 3 324.472 3.669 20 0 DHADHO CN1CCCC[C@@H]1CC[N@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000367781718 1028239626 /nfs/dbraw/zinc/23/96/26/1028239626.db2.gz CIJPNUQDYBRIAG-QGZVFWFLSA-N 1 3 324.472 3.526 20 0 DHADHO CN1CCCC[C@@H]1CC[N@@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000367781718 1028239636 /nfs/dbraw/zinc/23/96/36/1028239636.db2.gz CIJPNUQDYBRIAG-QGZVFWFLSA-N 1 3 324.472 3.526 20 0 DHADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC000578871228 1028262540 /nfs/dbraw/zinc/26/25/40/1028262540.db2.gz ULFVYMMQHRXENU-YSIASYRMSA-N 1 3 300.490 3.951 20 0 DHADHO CCC(CC)[C@@H](CNCCCc1cnccc1C)[NH+]1CCCC1 ZINC000578975022 1028289543 /nfs/dbraw/zinc/28/95/43/1028289543.db2.gz IGQZLUBBVZMAJM-HXUWFJFHSA-N 1 3 317.521 3.813 20 0 DHADHO COc1cccc2c(CNC3CC[NH+](CC4CC4)CC3)cccc12 ZINC000449086607 1028326867 /nfs/dbraw/zinc/32/68/67/1028326867.db2.gz CXWJLVGKUOAXDC-UHFFFAOYSA-N 1 3 324.468 3.812 20 0 DHADHO CCN1CCC[C@H](C[NH2+]Cc2cccc3c(OC)cccc23)C1 ZINC000449104031 1028353777 /nfs/dbraw/zinc/35/37/77/1028353777.db2.gz DJMKWZCDFYFIEY-MRXNPFEDSA-N 1 3 312.457 3.670 20 0 DHADHO CC[N@@H+]1CCC[C@H](CNCc2cccc3c(OC)cccc23)C1 ZINC000449104031 1028353798 /nfs/dbraw/zinc/35/37/98/1028353798.db2.gz DJMKWZCDFYFIEY-MRXNPFEDSA-N 1 3 312.457 3.670 20 0 DHADHO CC[N@H+]1CCC[C@H](CNCc2cccc3c(OC)cccc23)C1 ZINC000449104031 1028353817 /nfs/dbraw/zinc/35/38/17/1028353817.db2.gz DJMKWZCDFYFIEY-MRXNPFEDSA-N 1 3 312.457 3.670 20 0 DHADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CS1 ZINC000368462789 1028358989 /nfs/dbraw/zinc/35/89/89/1028358989.db2.gz QKNCOESFFAJHST-DOTOQJQBSA-N 1 3 310.551 3.903 20 0 DHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CSC2(C)C)CC1 ZINC000449314897 1028548918 /nfs/dbraw/zinc/54/89/18/1028548918.db2.gz SLCDOMKHVXKBTG-QAPCUYQASA-N 1 3 318.530 3.566 20 0 DHADHO CC(C)c1nccn1[C@@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000370494813 1028610307 /nfs/dbraw/zinc/61/03/07/1028610307.db2.gz KSPZZNRJZHJLIF-ZWKOTPCHSA-N 1 3 318.509 3.518 20 0 DHADHO CC(C)c1nccn1[C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000370494813 1028610314 /nfs/dbraw/zinc/61/03/14/1028610314.db2.gz KSPZZNRJZHJLIF-ZWKOTPCHSA-N 1 3 318.509 3.518 20 0 DHADHO CC(C)c1nccn1[C@@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000370494813 1028610317 /nfs/dbraw/zinc/61/03/17/1028610317.db2.gz KSPZZNRJZHJLIF-ZWKOTPCHSA-N 1 3 318.509 3.518 20 0 DHADHO CC(C)c1nccn1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000370494813 1028610321 /nfs/dbraw/zinc/61/03/21/1028610321.db2.gz KSPZZNRJZHJLIF-ZWKOTPCHSA-N 1 3 318.509 3.518 20 0 DHADHO N[C@@H]1C[C@@H]([NH2+]CCc2ccc3ccccc3n2)c2ccccc21 ZINC000565886117 1028646949 /nfs/dbraw/zinc/64/69/49/1028646949.db2.gz JYNWMWQEEDESFJ-UYAOXDASSA-N 1 3 303.409 3.512 20 0 DHADHO CC(C)Oc1ccc(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000565945030 1028655830 /nfs/dbraw/zinc/65/58/30/1028655830.db2.gz BUYVOVFPUCOULA-PMACEKPBSA-N 1 3 310.441 3.751 20 0 DHADHO COc1ccc(Oc2ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc2)cc1 ZINC000567613346 1028929077 /nfs/dbraw/zinc/92/90/77/1028929077.db2.gz ZNTUWVPBRJUVNX-HUUCEWRRSA-N 1 3 314.429 3.703 20 0 DHADHO CN1CCCC[C@@H](C[NH2+]CCCCCOc2ccccc2)C1 ZINC000628425221 1029052483 /nfs/dbraw/zinc/05/24/83/1029052483.db2.gz DWXARYDZIDBYMX-SFHVURJKSA-N 1 3 304.478 3.557 20 0 DHADHO CCc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817897544 1029269599 /nfs/dbraw/zinc/26/95/99/1029269599.db2.gz RUDCRISFYHKVEW-PZJWPPBQSA-N 1 3 322.452 3.595 20 0 DHADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(SC(F)F)cc1 ZINC000817970337 1029310454 /nfs/dbraw/zinc/31/04/54/1029310454.db2.gz ROKRABDXPFEAIK-CYZMBNFOSA-N 1 3 300.418 3.922 20 0 DHADHO Cc1cccnc1C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000570238791 1029337022 /nfs/dbraw/zinc/33/70/22/1029337022.db2.gz YNODJXXSUQPHAN-WGMWDUQUSA-N 1 3 323.484 3.636 20 0 DHADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(-c2ccccc2)s1 ZINC000629523795 1029357214 /nfs/dbraw/zinc/35/72/14/1029357214.db2.gz JCYIIUSFWKNESY-AWEZNQCLSA-N 1 3 316.470 3.574 20 0 DHADHO Cc1ccc(C(C)(C)CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)nc1 ZINC000629525493 1029358636 /nfs/dbraw/zinc/35/86/36/1029358636.db2.gz ZMRVYFQZCLJRHQ-SJORKVTESA-N 1 3 303.494 3.568 20 0 DHADHO Cc1ccc([C@H](NCC2([NH3+])CCOCC2)C2CCCCC2)cc1 ZINC000629523767 1029359450 /nfs/dbraw/zinc/35/94/50/1029359450.db2.gz IVOXHGBUXIRGEE-LJQANCHMSA-N 1 3 316.489 3.714 20 0 DHADHO C[C@@H](NCCOCCC[NH3+])c1cc2c(ccc3ccccc23)o1 ZINC000629541267 1029362239 /nfs/dbraw/zinc/36/22/39/1029362239.db2.gz YPEHQGUDTNYLNP-CQSZACIVSA-N 1 3 312.413 3.602 20 0 DHADHO CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CN)C1 ZINC000629560118 1029368310 /nfs/dbraw/zinc/36/83/10/1029368310.db2.gz CXGARVLERKGAEL-BFHYXJOUSA-N 1 3 306.416 3.662 20 0 DHADHO CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CN)C1 ZINC000629560118 1029368324 /nfs/dbraw/zinc/36/83/24/1029368324.db2.gz CXGARVLERKGAEL-BFHYXJOUSA-N 1 3 306.416 3.662 20 0 DHADHO [NH3+]C[C@@H]1CN(CCC2CCCCCC2)CC[C@@H]1C(F)(F)F ZINC000629561041 1029372086 /nfs/dbraw/zinc/37/20/86/1029372086.db2.gz GMTNMNFFDZOFOV-CABCVRRESA-N 1 3 306.416 3.806 20 0 DHADHO [NH3+]Cc1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000570516293 1029377543 /nfs/dbraw/zinc/37/75/43/1029377543.db2.gz URBFJUUPGOEOFI-QGZVFWFLSA-N 1 3 316.832 3.802 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CC(F)(F)C1 ZINC000529542026 1029385767 /nfs/dbraw/zinc/38/57/67/1029385767.db2.gz NZMHHCSILYCWKL-MELADBBJSA-N 1 3 300.437 3.663 20 0 DHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170909265 1029407867 /nfs/dbraw/zinc/40/78/67/1029407867.db2.gz SMAGGYJINPYZEQ-OWCLPIDISA-N 1 3 306.881 3.660 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170909262 1029408138 /nfs/dbraw/zinc/40/81/38/1029408138.db2.gz SMAGGYJINPYZEQ-HRCADAONSA-N 1 3 306.881 3.660 20 0 DHADHO FC1(F)CCCC[C@H]1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000450443337 1029478443 /nfs/dbraw/zinc/47/84/43/1029478443.db2.gz VFMBZENDHNXYLJ-HOTGVXAUSA-N 1 3 300.437 3.620 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170955057 1029785145 /nfs/dbraw/zinc/78/51/45/1029785145.db2.gz DCGFWKIOZRCXDE-RDJZCZTQSA-N 1 3 304.453 3.537 20 0 DHADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@H]1CCc2cccc(F)c2C1 ZINC001170955117 1029786749 /nfs/dbraw/zinc/78/67/49/1029786749.db2.gz FKFZKCMXQOMPGM-HNNXBMFYSA-N 1 3 304.453 3.663 20 0 DHADHO CC1(C)CC([NH3+])CC(C)(C)N1[C@H]1CCc2cccc(F)c2C1 ZINC001170955117 1029786756 /nfs/dbraw/zinc/78/67/56/1029786756.db2.gz FKFZKCMXQOMPGM-HNNXBMFYSA-N 1 3 304.453 3.663 20 0 DHADHO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1CCC[NH+]1CCCCC1 ZINC000451139808 1029797919 /nfs/dbraw/zinc/79/79/19/1029797919.db2.gz BDAZLJPFPNIINE-RRFJBIMHSA-N 1 3 306.416 3.914 20 0 DHADHO CC[N@H+](Cc1ccccc1)C1CCN([C@H]2CCO[C@@H](C)C2)CC1 ZINC001168128123 1029814452 /nfs/dbraw/zinc/81/44/52/1029814452.db2.gz NNVDKKNLIAMHFG-PXNSSMCTSA-N 1 3 316.489 3.540 20 0 DHADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CCO[C@@H](C)C2)CC1 ZINC001168128123 1029814458 /nfs/dbraw/zinc/81/44/58/1029814458.db2.gz NNVDKKNLIAMHFG-PXNSSMCTSA-N 1 3 316.489 3.540 20 0 DHADHO CN1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)cc2)CC1(C)C ZINC000623404929 1029814957 /nfs/dbraw/zinc/81/49/57/1029814957.db2.gz QZEFAVGKLNOVPJ-QGZVFWFLSA-N 1 3 316.489 3.970 20 0 DHADHO CCC[NH+]1CCC(N(C)CCCOc2ccc(Cl)cc2)CC1 ZINC000530902301 1030059958 /nfs/dbraw/zinc/05/99/58/1030059958.db2.gz BFHFFIHVRBMSIZ-UHFFFAOYSA-N 1 3 324.896 3.915 20 0 DHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cc(Cl)cc2cccnc21 ZINC000290622168 1030129466 /nfs/dbraw/zinc/12/94/66/1030129466.db2.gz XHLXJKCWYHCZHJ-DYVFJYSZSA-N 1 3 317.864 3.660 20 0 DHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc(Cl)cc2cccnc21 ZINC000290622168 1030129474 /nfs/dbraw/zinc/12/94/74/1030129474.db2.gz XHLXJKCWYHCZHJ-DYVFJYSZSA-N 1 3 317.864 3.660 20 0 DHADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1cn2c(n1)CCCC2 ZINC000925048357 1030255894 /nfs/dbraw/zinc/25/58/94/1030255894.db2.gz HQABYSIINHOABY-KRWDZBQOSA-N 1 3 318.509 3.526 20 0 DHADHO Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925082239 1030266202 /nfs/dbraw/zinc/26/62/02/1030266202.db2.gz IRSCRDMLXDMSTG-AUUYWEPGSA-N 1 3 324.472 3.575 20 0 DHADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000358052714 1030301287 /nfs/dbraw/zinc/30/12/87/1030301287.db2.gz YQRVGAFZCNAZMH-JTDSTZFVSA-N 1 3 322.468 3.756 20 0 DHADHO CC(C)[NH+]1CCC(CCN[C@@H]2CCCc3scnc32)CC1 ZINC000866468593 1030310105 /nfs/dbraw/zinc/31/01/05/1030310105.db2.gz GHROCQDCDVGLDQ-OAHLLOKOSA-N 1 3 307.507 3.621 20 0 DHADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925308358 1030338602 /nfs/dbraw/zinc/33/86/02/1030338602.db2.gz QHNJZKYTDVMBRX-OAHLLOKOSA-N 1 3 318.505 3.828 20 0 DHADHO C[C@@H](NCc1ccccc1N(C)C)c1cccc(C[NH+](C)C)c1 ZINC000925441887 1030363750 /nfs/dbraw/zinc/36/37/50/1030363750.db2.gz DNEOEEUUYIOODH-MRXNPFEDSA-N 1 3 311.473 3.665 20 0 DHADHO C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cncn3C)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001171032784 1030396339 /nfs/dbraw/zinc/39/63/39/1030396339.db2.gz WSEQPDICQDXKCW-SUMCQTLJSA-N 1 3 318.509 3.790 20 0 DHADHO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2cc(F)cc3cccnc32)C1 ZINC000866705749 1030427736 /nfs/dbraw/zinc/42/77/36/1030427736.db2.gz IIFIHJQGONSCTP-LJQANCHMSA-N 1 3 315.436 3.571 20 0 DHADHO CCSc1cc(CN[C@@H](CCC[NH3+])c2ccccc2)ccn1 ZINC000925647006 1030431191 /nfs/dbraw/zinc/43/11/91/1030431191.db2.gz WQOAPNJVDCJPSY-KRWDZBQOSA-N 1 3 315.486 3.763 20 0 DHADHO C[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000358456103 1030493971 /nfs/dbraw/zinc/49/39/71/1030493971.db2.gz AITDPHARXNEKLU-RSIVFMTNSA-N 1 3 308.510 3.575 20 0 DHADHO c1ccc2ncc(CC[NH2+][C@H]3CCNC[C@@H]3C3CCCC3)cc2c1 ZINC000925834157 1030514778 /nfs/dbraw/zinc/51/47/78/1030514778.db2.gz VSKLXADUGIAUMG-CTNGQTDRSA-N 1 3 323.484 3.535 20 0 DHADHO N[C@@H]1C[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c2ccccc21 ZINC000925838704 1030516621 /nfs/dbraw/zinc/51/66/21/1030516621.db2.gz NPPLSQOWZLKKOL-ZJPYXAASSA-N 1 3 314.379 3.770 20 0 DHADHO CC[N@H+](CCC1CCN(Cc2c(C)noc2C)CC1)CC(C)C ZINC000358733731 1030605172 /nfs/dbraw/zinc/60/51/72/1030605172.db2.gz CDITZCUECWMAFP-UHFFFAOYSA-N 1 3 321.509 3.871 20 0 DHADHO CC[N@@H+](CCC1CCN(Cc2c(C)noc2C)CC1)CC(C)C ZINC000358733731 1030605181 /nfs/dbraw/zinc/60/51/81/1030605181.db2.gz CDITZCUECWMAFP-UHFFFAOYSA-N 1 3 321.509 3.871 20 0 DHADHO Cc1ccc([C@H](NCC2(C)CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000926115640 1030623667 /nfs/dbraw/zinc/62/36/67/1030623667.db2.gz WEULGBYNFZKNAW-FQEVSTJZSA-N 1 3 323.484 3.801 20 0 DHADHO CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000926119489 1030625986 /nfs/dbraw/zinc/62/59/86/1030625986.db2.gz KOGHXNPRBVAEBQ-DODZYUBVSA-N 1 3 310.526 3.559 20 0 DHADHO C[NH+]1CCC2(CCN(Cc3c[nH]c4cccc(F)c34)CC2)CC1 ZINC001136986987 1030721045 /nfs/dbraw/zinc/72/10/45/1030721045.db2.gz DSPPTFNKBYCUOQ-UHFFFAOYSA-N 1 3 315.436 3.615 20 0 DHADHO CC(C)CCN1CCC([NH2+]CC2(c3ccccn3)CCC2)CC1 ZINC000926415028 1030728959 /nfs/dbraw/zinc/72/89/59/1030728959.db2.gz NFXZWUVNMAGWKO-UHFFFAOYSA-N 1 3 315.505 3.603 20 0 DHADHO CC(C)CC[NH+]1CCC(NCC2(c3ccccn3)CCC2)CC1 ZINC000926415028 1030728976 /nfs/dbraw/zinc/72/89/76/1030728976.db2.gz NFXZWUVNMAGWKO-UHFFFAOYSA-N 1 3 315.505 3.603 20 0 DHADHO CN(CCC[NH+](C)C)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171074878 1030741852 /nfs/dbraw/zinc/74/18/52/1030741852.db2.gz VGIJGVHOIADDKX-AWEZNQCLSA-N 1 3 315.288 3.734 20 0 DHADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccncc1 ZINC000248742887 1030764028 /nfs/dbraw/zinc/76/40/28/1030764028.db2.gz AKWRFQIGZPVRGE-OTNPHJDUSA-N 1 3 321.468 3.928 20 0 DHADHO Clc1ccc(Cl)c(CNCC[C@@H]2CC[NH2+]C2)c1Cl ZINC000666787313 1030848807 /nfs/dbraw/zinc/84/88/07/1030848807.db2.gz GFLSYYKMAUJNRV-VIFPVBQESA-N 1 3 307.652 3.736 20 0 DHADHO C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926698319 1030869268 /nfs/dbraw/zinc/86/92/68/1030869268.db2.gz ALZJWUFKUVEUCP-KPOBHBOGSA-N 1 3 310.441 3.577 20 0 DHADHO C[NH+](C)C1(C)CCC(N[C@@H]2COCc3cccc(Cl)c32)CC1 ZINC000926798616 1030934531 /nfs/dbraw/zinc/93/45/31/1030934531.db2.gz VYRVTNBMIGBBTM-BFHRDPOASA-N 1 3 322.880 3.764 20 0 DHADHO C[C@@H](NC1CCC(C)([NH+]2CCC2)CC1)c1ccncc1Cl ZINC000927036506 1031044751 /nfs/dbraw/zinc/04/47/51/1031044751.db2.gz IJLWGQOVWXBGSA-TUBUQKNSSA-N 1 3 307.869 3.793 20 0 DHADHO COc1ccc([C@H](NC2CC[NH+](C(C)C)CC2)C2CCC2)cc1 ZINC000927067367 1031065457 /nfs/dbraw/zinc/06/54/57/1031065457.db2.gz PTWBHIZYASROAK-HXUWFJFHSA-N 1 3 316.489 3.999 20 0 DHADHO CCc1nc2c(s1)[C@@H]([NH2+]CCCN1CCC(C)CC1)CCC2 ZINC000359642452 1031077345 /nfs/dbraw/zinc/07/73/45/1031077345.db2.gz ZTZPPCMBELNYAB-HNNXBMFYSA-N 1 3 321.534 3.795 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000872059426 1031450861 /nfs/dbraw/zinc/45/08/61/1031450861.db2.gz DPZBYPRXNIKMTC-OKZBNKHCSA-N 1 3 320.521 3.721 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000536998183 1031487189 /nfs/dbraw/zinc/48/71/89/1031487189.db2.gz IYZVVESSAMLKOT-DNVCBOLYSA-N 1 3 304.453 3.987 20 0 DHADHO CN(CCCCCC[NH3+])Cc1cnc(-c2ccccc2)s1 ZINC000872155841 1031535910 /nfs/dbraw/zinc/53/59/10/1031535910.db2.gz YBHJMDWFBDGWKU-UHFFFAOYSA-N 1 3 303.475 3.761 20 0 DHADHO CC(C)c1ccccc1NC(=O)[C@@H](C)N(C)CCCCCC[NH3+] ZINC000872155291 1031537311 /nfs/dbraw/zinc/53/73/11/1031537311.db2.gz QNBWRQTWYAOJDU-MRXNPFEDSA-N 1 3 319.493 3.588 20 0 DHADHO CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1(C)C ZINC000537294409 1031560008 /nfs/dbraw/zinc/56/00/08/1031560008.db2.gz CQDMURQATHHZSB-OKZBNKHCSA-N 1 3 310.526 3.536 20 0 DHADHO CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000929998105 1031672506 /nfs/dbraw/zinc/67/25/06/1031672506.db2.gz BRQSVPYWXDGXID-YJBOKZPZSA-N 1 3 313.445 3.504 20 0 DHADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000929998105 1031672515 /nfs/dbraw/zinc/67/25/15/1031672515.db2.gz BRQSVPYWXDGXID-YJBOKZPZSA-N 1 3 313.445 3.504 20 0 DHADHO FCc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930059916 1031688089 /nfs/dbraw/zinc/68/80/89/1031688089.db2.gz FIDAHEQMIYXUIP-IEBWSBKVSA-N 1 3 302.437 3.605 20 0 DHADHO FCc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000930059916 1031688097 /nfs/dbraw/zinc/68/80/97/1031688097.db2.gz FIDAHEQMIYXUIP-IEBWSBKVSA-N 1 3 302.437 3.605 20 0 DHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873273601 1031784101 /nfs/dbraw/zinc/78/41/01/1031784101.db2.gz JFDHHFTWRCASDX-GBJTYRQASA-N 1 3 304.400 3.784 20 0 DHADHO CC1(C)CC([NH2+]C2CCN(CC3CCCC3)CC2)CC(C)(C)O1 ZINC001172653944 1033306101 /nfs/dbraw/zinc/30/61/01/1033306101.db2.gz QKSJSFPUIMHTCT-UHFFFAOYSA-N 1 3 322.537 3.967 20 0 DHADHO Cc1ccccc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000096245643 1033318438 /nfs/dbraw/zinc/31/84/38/1033318438.db2.gz DNDNDXMPAWGLSX-OYRHEFFESA-N 1 3 306.453 3.559 20 0 DHADHO Cc1ccccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000096245643 1033318453 /nfs/dbraw/zinc/31/84/53/1033318453.db2.gz DNDNDXMPAWGLSX-OYRHEFFESA-N 1 3 306.453 3.559 20 0 DHADHO [NH3+]C1(c2cccnc2)CCN(C2CCC3(CCCC3)CC2)CC1 ZINC001172728132 1033332174 /nfs/dbraw/zinc/33/21/74/1033332174.db2.gz ZXBCSPZPOVRVIF-UHFFFAOYSA-N 1 3 313.489 3.834 20 0 DHADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001172859412 1033430112 /nfs/dbraw/zinc/43/01/12/1033430112.db2.gz JRDFJGYNWZGFQA-WQVCFCJDSA-N 1 3 312.860 3.873 20 0 DHADHO Cc1cc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc[nH+]1 ZINC000478261260 1033441311 /nfs/dbraw/zinc/44/13/11/1033441311.db2.gz OYUVTQYGDYLDJD-SFHVURJKSA-N 1 3 315.848 3.714 20 0 DHADHO C1CC[NH+](C2CCN(C3CCC4(CCOCC4)CC3)CC2)CC1 ZINC001173044096 1033510826 /nfs/dbraw/zinc/51/08/26/1033510826.db2.gz ZGQBCRDNWMFAGZ-UHFFFAOYSA-N 1 3 320.521 3.676 20 0 DHADHO C1CCN(C2CC[NH+](C3CCC4(CCOCC4)CC3)CC2)CC1 ZINC001173044096 1033510829 /nfs/dbraw/zinc/51/08/29/1033510829.db2.gz ZGQBCRDNWMFAGZ-UHFFFAOYSA-N 1 3 320.521 3.676 20 0 DHADHO CC[C@@H]1CC[C@H](N2CCC([NH3+])(c3cccc(OC)c3)CC2)C1 ZINC001173272253 1033642352 /nfs/dbraw/zinc/64/23/52/1033642352.db2.gz UJXZLWNSPVYCLB-WBVHZDCISA-N 1 3 302.462 3.524 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000553331572 1033662659 /nfs/dbraw/zinc/66/26/59/1033662659.db2.gz MPVCGVAYZACUQX-SJORKVTESA-N 1 3 309.457 3.915 20 0 DHADHO c1csc([C@@H]2CCC[N@H+]2Cc2ccnn2-c2ccncc2)c1 ZINC000667482300 1033748819 /nfs/dbraw/zinc/74/88/19/1033748819.db2.gz ZROXGALXMQYDHW-INIZCTEOSA-N 1 3 310.426 3.666 20 0 DHADHO c1csc([C@@H]2CCC[N@@H+]2Cc2ccnn2-c2ccncc2)c1 ZINC000667482300 1033748837 /nfs/dbraw/zinc/74/88/37/1033748837.db2.gz ZROXGALXMQYDHW-INIZCTEOSA-N 1 3 310.426 3.666 20 0 DHADHO c1csc([C@@H]2CCCN2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667482300 1033748854 /nfs/dbraw/zinc/74/88/54/1033748854.db2.gz ZROXGALXMQYDHW-INIZCTEOSA-N 1 3 310.426 3.666 20 0 DHADHO Cc1cc2[nH]c(C[NH2+]C3CCN(CC4CC4)CC3)cc2c(C)c1 ZINC000479580517 1033824318 /nfs/dbraw/zinc/82/43/18/1033824318.db2.gz QQUHUVPZFCIFPU-UHFFFAOYSA-N 1 3 311.473 3.749 20 0 DHADHO C[C@@H](CNc1ccnc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000554181502 1034010190 /nfs/dbraw/zinc/01/01/90/1034010190.db2.gz ZBKLOWPMTXLDOH-INIZCTEOSA-N 1 3 317.436 3.515 20 0 DHADHO C[C@@H](CNc1ccnc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000554181502 1034010207 /nfs/dbraw/zinc/01/02/07/1034010207.db2.gz ZBKLOWPMTXLDOH-INIZCTEOSA-N 1 3 317.436 3.515 20 0 DHADHO Fc1ccc(C2CCC([NH2+][C@@H]3CCNC34CCC4)CC2)cc1 ZINC000863482887 1034106876 /nfs/dbraw/zinc/10/68/76/1034106876.db2.gz MPKOJARBQBZHAG-VMWRSERWSA-N 1 3 302.437 3.726 20 0 DHADHO COc1cc([C@H](C)[NH2+]CCCN2CCCCC2)ccc1SC ZINC000480170657 1034110401 /nfs/dbraw/zinc/11/04/01/1034110401.db2.gz IYJOLVIHHQCMBC-HNNXBMFYSA-N 1 3 322.518 3.944 20 0 DHADHO COC1(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCCCC1 ZINC000480659338 1034380210 /nfs/dbraw/zinc/38/02/10/1034380210.db2.gz FKEURINFIVDCFV-MJGOQNOKSA-N 1 3 322.537 3.968 20 0 DHADHO Fc1cccc(CC2(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000480753195 1034430623 /nfs/dbraw/zinc/43/06/23/1034430623.db2.gz ATWDTINXWLAGLJ-MSOLQXFVSA-N 1 3 302.437 3.507 20 0 DHADHO Fc1cccc(CC2(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000480753195 1034430631 /nfs/dbraw/zinc/43/06/31/1034430631.db2.gz ATWDTINXWLAGLJ-MSOLQXFVSA-N 1 3 302.437 3.507 20 0 DHADHO CC(C)OC[C@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000554981414 1034454207 /nfs/dbraw/zinc/45/42/07/1034454207.db2.gz COLRLFHWBKGCDM-AZUAARDMSA-N 1 3 318.505 3.692 20 0 DHADHO Cc1cncc([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000184341754 1034464986 /nfs/dbraw/zinc/46/49/86/1034464986.db2.gz QWSOOHTVLBKQGO-AZUAARDMSA-N 1 3 323.484 3.605 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000555204818 1034560366 /nfs/dbraw/zinc/56/03/66/1034560366.db2.gz DVZYZSIDABDMRN-FQEVSTJZSA-N 1 3 309.457 3.774 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000555204818 1034560371 /nfs/dbraw/zinc/56/03/71/1034560371.db2.gz DVZYZSIDABDMRN-FQEVSTJZSA-N 1 3 309.457 3.774 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)C1 ZINC000481026881 1034561285 /nfs/dbraw/zinc/56/12/85/1034561285.db2.gz USUDYNHQRXQPLR-PMACEKPBSA-N 1 3 302.506 3.884 20 0 DHADHO C[NH+](C)CC1CCC(NCc2c(Cl)cncc2Cl)CC1 ZINC000865509622 1034682180 /nfs/dbraw/zinc/68/21/80/1034682180.db2.gz SUYJZJLDKPPOLV-UHFFFAOYSA-N 1 3 316.276 3.598 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000482062197 1035053067 /nfs/dbraw/zinc/05/30/67/1035053067.db2.gz QWYIBGDTWQXZRX-UGLVGNDVSA-N 1 3 324.871 3.986 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000482062197 1035053077 /nfs/dbraw/zinc/05/30/77/1035053077.db2.gz QWYIBGDTWQXZRX-UGLVGNDVSA-N 1 3 324.871 3.986 20 0 DHADHO CC(C)[NH+](CCCNCCCc1ccc2c(c1)CCO2)C(C)C ZINC000482215847 1035068170 /nfs/dbraw/zinc/06/81/70/1035068170.db2.gz CRGBAXCDBLMIPW-UHFFFAOYSA-N 1 3 318.505 3.653 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000482314675 1035083943 /nfs/dbraw/zinc/08/39/43/1035083943.db2.gz FFWCMJGUBRCNQR-VCBZYWHSSA-N 1 3 304.453 3.769 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000482354673 1035086860 /nfs/dbraw/zinc/08/68/60/1035086860.db2.gz GCPLMYYXWCIRPA-IAGOWNOFSA-N 1 3 300.490 3.946 20 0 DHADHO CCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000668172885 1035205782 /nfs/dbraw/zinc/20/57/82/1035205782.db2.gz VWBZBVHBSINZHV-APWZRJJASA-N 1 3 304.478 3.556 20 0 DHADHO CCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000668172885 1035205785 /nfs/dbraw/zinc/20/57/85/1035205785.db2.gz VWBZBVHBSINZHV-APWZRJJASA-N 1 3 304.478 3.556 20 0 DHADHO COc1ccc([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c(F)c1 ZINC000483175972 1035235068 /nfs/dbraw/zinc/23/50/68/1035235068.db2.gz JBRXQBMFSVTZKH-DYVFJYSZSA-N 1 3 310.457 3.851 20 0 DHADHO C[C@@H]1C[C@@H](N(C)CCc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000194602506 1035241366 /nfs/dbraw/zinc/24/13/66/1035241366.db2.gz ZBKORHDEHRKUFC-WBMJQRKESA-N 1 3 315.288 3.950 20 0 DHADHO C[C@@H]1C[C@@H](N(C)CCc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000194602506 1035241369 /nfs/dbraw/zinc/24/13/69/1035241369.db2.gz ZBKORHDEHRKUFC-WBMJQRKESA-N 1 3 315.288 3.950 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c(OC)c1 ZINC000483209748 1035241555 /nfs/dbraw/zinc/24/15/55/1035241555.db2.gz ZNDDKECYEYIRES-KBXCAEBGSA-N 1 3 322.493 3.721 20 0 DHADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC001206292912 1035348654 /nfs/dbraw/zinc/34/86/54/1035348654.db2.gz FPUQKSCRAXNWOB-OAHLLOKOSA-N 1 3 301.261 3.944 20 0 DHADHO c1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000484495106 1035352467 /nfs/dbraw/zinc/35/24/67/1035352467.db2.gz PWAASQUBXOOBEH-HXUWFJFHSA-N 1 3 312.501 3.931 20 0 DHADHO C[C@]1(C[NH3+])CCCN(Cc2cccc(Cl)c2Cl)CC1 ZINC001206297359 1035358228 /nfs/dbraw/zinc/35/82/28/1035358228.db2.gz XXHBZAMEYXCEHF-HNNXBMFYSA-N 1 3 301.261 3.944 20 0 DHADHO Cc1cc(F)ccc1[C@@H](C)NCc1cc2c(s1)CC[NH2+]C2 ZINC000904389306 1035408106 /nfs/dbraw/zinc/40/81/06/1035408106.db2.gz WGNCKVBFMPILLP-GFCCVEGCSA-N 1 3 304.434 3.692 20 0 DHADHO c1nc(C2CC2)sc1CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416093 1035411461 /nfs/dbraw/zinc/41/14/61/1035411461.db2.gz GVKGDRRBGRSBBU-CQSZACIVSA-N 1 3 319.518 3.622 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000195139691 1035415834 /nfs/dbraw/zinc/41/58/34/1035415834.db2.gz ITUNUICBRXEJTE-RDJZCZTQSA-N 1 3 300.471 3.921 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000195139691 1035415838 /nfs/dbraw/zinc/41/58/38/1035415838.db2.gz ITUNUICBRXEJTE-RDJZCZTQSA-N 1 3 300.471 3.921 20 0 DHADHO Cc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000904476194 1035418238 /nfs/dbraw/zinc/41/82/38/1035418238.db2.gz SCLZTRHSKALLOP-FPOVZHCZSA-N 1 3 322.452 3.649 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NC2(c3cccc(Br)c3)CCC2)C1 ZINC000568781959 1035474591 /nfs/dbraw/zinc/47/45/91/1035474591.db2.gz BUWMEZXMCDDYGD-HUUCEWRRSA-N 1 3 323.278 3.688 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222419342 1035538424 /nfs/dbraw/zinc/53/84/24/1035538424.db2.gz QUVSMOSOJLMMPC-RBSFLKMASA-N 1 3 306.416 3.962 20 0 DHADHO CN(Cc1ccccc1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204265322 1035640321 /nfs/dbraw/zinc/64/03/21/1035640321.db2.gz FJRAPXQINZXISN-UHFFFAOYSA-N 1 3 312.457 3.649 20 0 DHADHO CC(C)[NH2+]C1CCN([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000191300984 1035676568 /nfs/dbraw/zinc/67/65/68/1035676568.db2.gz CPPFHNZUSKVSCV-WOJBJXKFSA-N 1 3 300.490 3.959 20 0 DHADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC001193649437 1035692864 /nfs/dbraw/zinc/69/28/64/1035692864.db2.gz QEGPPYFGVGRFIS-ZCNNSNEGSA-N 1 3 300.490 3.862 20 0 DHADHO CCC(CC)[N@H+](CCCN1CCN(C(C)C)CC1)CC(C)C ZINC000192752830 1035816059 /nfs/dbraw/zinc/81/60/59/1035816059.db2.gz NGSNUDRKIMODMI-UHFFFAOYSA-N 1 3 311.558 3.549 20 0 DHADHO CCC(CC)[N@@H+](CCCN1CCN(C(C)C)CC1)CC(C)C ZINC000192752830 1035816078 /nfs/dbraw/zinc/81/60/78/1035816078.db2.gz NGSNUDRKIMODMI-UHFFFAOYSA-N 1 3 311.558 3.549 20 0 DHADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000494747518 1035852403 /nfs/dbraw/zinc/85/24/03/1035852403.db2.gz ICXKUDPFWAKKAL-LMMKCTJWSA-N 1 3 304.478 3.617 20 0 DHADHO C[C@@H](Cc1cccc(F)c1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001168468827 1035920187 /nfs/dbraw/zinc/92/01/87/1035920187.db2.gz OVGYKLJOIYVQRZ-AWEZNQCLSA-N 1 3 306.469 3.998 20 0 DHADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc2ncsc2c1 ZINC000485814037 1035980312 /nfs/dbraw/zinc/98/03/12/1035980312.db2.gz PHTZPVIHWJDUGZ-UKRRQHHQSA-N 1 3 303.475 3.821 20 0 DHADHO CC(C)Oc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1 ZINC000540363052 1036052713 /nfs/dbraw/zinc/05/27/13/1036052713.db2.gz MSSVHFVNQYSAFX-FUHWJXTLSA-N 1 3 304.478 3.999 20 0 DHADHO C[C@H]([NH2+]CCCc1ccsc1)[C@H]1CCCN(C2CCC2)C1 ZINC000541603145 1036386427 /nfs/dbraw/zinc/38/64/27/1036386427.db2.gz NRNQSERGGMKCOJ-RDJZCZTQSA-N 1 3 306.519 3.923 20 0 DHADHO Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)o1 ZINC000541882370 1036451933 /nfs/dbraw/zinc/45/19/33/1036451933.db2.gz GVXRYHGVIDSZQM-HMXCVIKNSA-N 1 3 324.468 3.631 20 0 DHADHO C[C@H](CN(C)C)[C@H]1CCCC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC001183066126 1036517047 /nfs/dbraw/zinc/51/70/47/1036517047.db2.gz UWXJKZXDEUJYGL-RDTXWAMCSA-N 1 3 310.432 3.560 20 0 DHADHO C[C@H](CN(C)C)[C@H]1CCCC[N@H+]1CCc1ccc(F)c(F)c1 ZINC001183066126 1036517050 /nfs/dbraw/zinc/51/70/50/1036517050.db2.gz UWXJKZXDEUJYGL-RDTXWAMCSA-N 1 3 310.432 3.560 20 0 DHADHO Cc1cc(OC(F)(F)F)ccc1CN1CCC[C@@](C)([NH3+])CC1 ZINC001205274369 1036622646 /nfs/dbraw/zinc/62/26/46/1036622646.db2.gz WDDNYBTXSOWQBX-OAHLLOKOSA-N 1 3 316.367 3.597 20 0 DHADHO C[C@@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@H]1CN ZINC001205297022 1036839731 /nfs/dbraw/zinc/83/97/31/1036839731.db2.gz WYWPJKCBPQQZKB-UKRRQHHQSA-N 1 3 314.395 3.555 20 0 DHADHO C[C@@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C[C@H]1CN ZINC001205297022 1036839745 /nfs/dbraw/zinc/83/97/45/1036839745.db2.gz WYWPJKCBPQQZKB-UKRRQHHQSA-N 1 3 314.395 3.555 20 0 DHADHO C[C@@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC001205297022 1036839762 /nfs/dbraw/zinc/83/97/62/1036839762.db2.gz WYWPJKCBPQQZKB-UKRRQHHQSA-N 1 3 314.395 3.555 20 0 DHADHO CC(C)[C@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CS1 ZINC000488428733 1037013824 /nfs/dbraw/zinc/01/38/24/1037013824.db2.gz DLBRGXJJEBMTLQ-QZTJIDSGSA-N 1 3 310.551 3.761 20 0 DHADHO CC(C)[C@H]1C[C@@H](NC2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000488428733 1037013841 /nfs/dbraw/zinc/01/38/41/1037013841.db2.gz DLBRGXJJEBMTLQ-QZTJIDSGSA-N 1 3 310.551 3.761 20 0 DHADHO C[C@@H]1CCNCC[N@@H+]1CC(C)(C)Sc1ccc(Cl)cc1 ZINC001205325961 1037079175 /nfs/dbraw/zinc/07/91/75/1037079175.db2.gz SISJMSIFMVWMQP-CYBMUJFWSA-N 1 3 312.910 3.895 20 0 DHADHO C[C@@H]1CCNCC[N@H+]1CC(C)(C)Sc1ccc(Cl)cc1 ZINC001205325961 1037079187 /nfs/dbraw/zinc/07/91/87/1037079187.db2.gz SISJMSIFMVWMQP-CYBMUJFWSA-N 1 3 312.910 3.895 20 0 DHADHO Cc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c2ccccc2n1 ZINC000488719952 1037117211 /nfs/dbraw/zinc/11/72/11/1037117211.db2.gz ZNRVDLMLFNLHCE-QMTMVMCOSA-N 1 3 309.457 3.710 20 0 DHADHO Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c2ccccc2n1 ZINC000488719952 1037117224 /nfs/dbraw/zinc/11/72/24/1037117224.db2.gz ZNRVDLMLFNLHCE-QMTMVMCOSA-N 1 3 309.457 3.710 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000570249163 1037136436 /nfs/dbraw/zinc/13/64/36/1037136436.db2.gz VNPPPAAJNQLRLM-HOJAQTOUSA-N 1 3 300.490 3.817 20 0 DHADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000570249165 1037137689 /nfs/dbraw/zinc/13/76/89/1037137689.db2.gz VNPPPAAJNQLRLM-MISYRCLQSA-N 1 3 300.490 3.817 20 0 DHADHO Cc1ccc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000309663165 1037169421 /nfs/dbraw/zinc/16/94/21/1037169421.db2.gz NJRVJOUYJOLLOJ-OAQYLSRUSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1ccc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000309663165 1037169431 /nfs/dbraw/zinc/16/94/31/1037169431.db2.gz NJRVJOUYJOLLOJ-OAQYLSRUSA-N 1 3 308.469 3.915 20 0 DHADHO Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309730070 1037175692 /nfs/dbraw/zinc/17/56/92/1037175692.db2.gz RIFNGKINBNYEQU-GHTZIAJQSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccccc1CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309730070 1037175700 /nfs/dbraw/zinc/17/57/00/1037175700.db2.gz RIFNGKINBNYEQU-GHTZIAJQSA-N 1 3 308.469 3.995 20 0 DHADHO Cc1ccccc1CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309730070 1037175709 /nfs/dbraw/zinc/17/57/09/1037175709.db2.gz RIFNGKINBNYEQU-GHTZIAJQSA-N 1 3 308.469 3.995 20 0 DHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)[C@H]1C ZINC000309761544 1037180026 /nfs/dbraw/zinc/18/00/26/1037180026.db2.gz DTMMDIWOVIJOEQ-UMGGQSCQSA-N 1 3 300.490 3.923 20 0 DHADHO C[C@H]([NH2+]CCOc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000393832513 1037233777 /nfs/dbraw/zinc/23/37/77/1037233777.db2.gz LBZXCVHUGKXOKT-AZUAARDMSA-N 1 3 324.468 3.566 20 0 DHADHO Cc1cccc2[nH]cc(CC[NH2+]C3CCN(C(C)(C)C)CC3)c21 ZINC000178619371 1037330173 /nfs/dbraw/zinc/33/01/73/1037330173.db2.gz DTIXJNPKBZBGMC-UHFFFAOYSA-N 1 3 313.489 3.871 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccsc1 ZINC000178620441 1037330906 /nfs/dbraw/zinc/33/09/06/1037330906.db2.gz BITCCINBMOWPIM-AEFFLSMTSA-N 1 3 314.498 3.963 20 0 DHADHO CC(C)[C@H]1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC001199923734 1037372434 /nfs/dbraw/zinc/37/24/34/1037372434.db2.gz AGZBSDNZVXNTFM-VQTJNVASSA-N 1 3 322.537 3.824 20 0 DHADHO Clc1ccccc1C1CC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000036997002 1037665375 /nfs/dbraw/zinc/66/53/75/1037665375.db2.gz KDAINTUBCWVZSF-JOCCRWCTSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccccc1C1CC(N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000036997002 1037665404 /nfs/dbraw/zinc/66/54/04/1037665404.db2.gz KDAINTUBCWVZSF-JOCCRWCTSA-N 1 3 304.865 3.802 20 0 DHADHO CC[N@H+]([C@H]1CCOC1)C1CCN(C[C@@H](C)CCC=C(C)C)CC1 ZINC001201492211 1037713604 /nfs/dbraw/zinc/71/36/04/1037713604.db2.gz YGBXIWQTZALTGH-ICSRJNTNSA-N 1 3 322.537 3.944 20 0 DHADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(C[C@@H](C)CCC=C(C)C)CC1 ZINC001201492211 1037713620 /nfs/dbraw/zinc/71/36/20/1037713620.db2.gz YGBXIWQTZALTGH-ICSRJNTNSA-N 1 3 322.537 3.944 20 0 DHADHO Cc1cc(CN(C)Cc2ccc(C[NH+](C)C)cc2)ccc1F ZINC000775168138 1037914092 /nfs/dbraw/zinc/91/40/92/1037914092.db2.gz MDOMOLRAOFGTHC-UHFFFAOYSA-N 1 3 300.421 3.828 20 0 DHADHO CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000186833697 1037933599 /nfs/dbraw/zinc/93/35/99/1037933599.db2.gz DEGYQYOTYUGWBY-WOJBJXKFSA-N 1 3 322.537 3.967 20 0 DHADHO CC(C)C[C@H]1OCCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000186833697 1037933606 /nfs/dbraw/zinc/93/36/06/1037933606.db2.gz DEGYQYOTYUGWBY-WOJBJXKFSA-N 1 3 322.537 3.967 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000125742402 1037954443 /nfs/dbraw/zinc/95/44/43/1037954443.db2.gz YUOJGBPMYYIPPF-ICSRJNTNSA-N 1 3 300.490 3.718 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(COCc3ccccc3)cc2)C1 ZINC000571537582 1038167272 /nfs/dbraw/zinc/16/72/72/1038167272.db2.gz KTCJNSGZQSWHPO-RTWAWAEBSA-N 1 3 324.468 3.763 20 0 DHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2CCC2)ccc1OC ZINC000775384513 1038311784 /nfs/dbraw/zinc/31/17/84/1038311784.db2.gz TXYYIHUJMKWQDX-OAHLLOKOSA-N 1 3 304.478 3.988 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2CC(C)C2)ccc1OC ZINC000775412726 1038385194 /nfs/dbraw/zinc/38/51/94/1038385194.db2.gz ORQZNOBXHUUMSV-CSLYMUCUSA-N 1 3 304.478 3.986 20 0 DHADHO COCC[C@@H](c1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001191070941 1038430165 /nfs/dbraw/zinc/43/01/65/1038430165.db2.gz QWCCLBGYBFGHLG-QUCCMNQESA-N 1 3 316.489 3.572 20 0 DHADHO COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001191070941 1038430178 /nfs/dbraw/zinc/43/01/78/1038430178.db2.gz QWCCLBGYBFGHLG-QUCCMNQESA-N 1 3 316.489 3.572 20 0 DHADHO COCC[C@@H](c1ccccc1)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001191070941 1038430182 /nfs/dbraw/zinc/43/01/82/1038430182.db2.gz QWCCLBGYBFGHLG-QUCCMNQESA-N 1 3 316.489 3.572 20 0 DHADHO CSc1ccc(Cl)cc1CN1CCC[C@](F)(C[NH3+])CC1 ZINC001205591443 1038630482 /nfs/dbraw/zinc/63/04/82/1038630482.db2.gz MYNBXOLFQWYRDS-OAHLLOKOSA-N 1 3 316.873 3.715 20 0 DHADHO C[C@@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205603913 1038682550 /nfs/dbraw/zinc/68/25/50/1038682550.db2.gz SOTJTNVRGMCCQG-NEPJUHHUSA-N 1 3 318.358 3.651 20 0 DHADHO C[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000573793375 1039072021 /nfs/dbraw/zinc/07/20/21/1039072021.db2.gz IOQJROOGKXVBNO-QRWLVFNGSA-N 1 3 309.457 3.917 20 0 DHADHO CC(C)(C)[C@H](NC[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000592495864 1039216074 /nfs/dbraw/zinc/21/60/74/1039216074.db2.gz SYWVERFSXQEZGS-SWLSCSKDSA-N 1 3 314.395 3.992 20 0 DHADHO COC1(CCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000574058331 1039398094 /nfs/dbraw/zinc/39/80/94/1039398094.db2.gz PVXBVGCIOVZSST-SFHVURJKSA-N 1 3 308.510 3.534 20 0 DHADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000534347211 1040813366 /nfs/dbraw/zinc/81/33/66/1040813366.db2.gz AZAACRKHXAFDRR-MAUKXSAKSA-N 1 3 304.478 3.955 20 0 DHADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000534347211 1040813378 /nfs/dbraw/zinc/81/33/78/1040813378.db2.gz AZAACRKHXAFDRR-MAUKXSAKSA-N 1 3 304.478 3.955 20 0 DHADHO Fc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001168413313 1041266166 /nfs/dbraw/zinc/26/61/66/1041266166.db2.gz XMXKQXOKSHAMGP-IBGZPJMESA-N 1 3 316.464 3.680 20 0 DHADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cccc(F)c1 ZINC000092856899 185346805 /nfs/dbraw/zinc/34/68/05/185346805.db2.gz MJECDMYSOVTZMY-HNNXBMFYSA-N 1 3 313.420 3.788 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1C ZINC000272902439 130072834 /nfs/dbraw/zinc/07/28/34/130072834.db2.gz KMRJFAWWFAIOPS-HNNXBMFYSA-N 1 3 304.478 3.917 20 0 DHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CCOC1(C)C ZINC000340186535 131028274 /nfs/dbraw/zinc/02/82/74/131028274.db2.gz SBRUGFZZQZUROQ-LPHOPBHVSA-N 1 3 316.489 3.718 20 0 DHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCOC1(C)C ZINC000340186535 131028275 /nfs/dbraw/zinc/02/82/75/131028275.db2.gz SBRUGFZZQZUROQ-LPHOPBHVSA-N 1 3 316.489 3.718 20 0 DHADHO CO[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Cl)cc1 ZINC000285367867 131161694 /nfs/dbraw/zinc/16/16/94/131161694.db2.gz BYQYSWYALOTDMK-UJJTZGENSA-N 1 3 322.880 3.585 20 0 DHADHO CO[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Cl)cc1 ZINC000285367867 131161696 /nfs/dbraw/zinc/16/16/96/131161696.db2.gz BYQYSWYALOTDMK-UJJTZGENSA-N 1 3 322.880 3.585 20 0 DHADHO C[C@H](NCCCCC[NH+]1CCCC1)c1nc2c(s1)CCCC2 ZINC000340474093 131850275 /nfs/dbraw/zinc/85/02/75/131850275.db2.gz PDIOSMBZJSCDIP-HNNXBMFYSA-N 1 3 321.534 3.939 20 0 DHADHO FC1(F)CCCC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297341565 132011296 /nfs/dbraw/zinc/01/12/96/132011296.db2.gz FEXNVWPFPGOILO-HNNXBMFYSA-N 1 3 323.431 3.856 20 0 DHADHO CCC[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000297439990 132015386 /nfs/dbraw/zinc/01/53/86/132015386.db2.gz WBIKTHMBVOWCGU-YSTOQKLRSA-N 1 3 316.489 3.587 20 0 DHADHO CCC[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000297439990 132015387 /nfs/dbraw/zinc/01/53/87/132015387.db2.gz WBIKTHMBVOWCGU-YSTOQKLRSA-N 1 3 316.489 3.587 20 0 DHADHO CC[NH+](CC)Cc1cccc(NC2CCN(C3CC3)CC2)c1 ZINC000297618038 132025637 /nfs/dbraw/zinc/02/56/37/132025637.db2.gz GXYHICVPTDUBTE-UHFFFAOYSA-N 1 3 301.478 3.567 20 0 DHADHO Cc1cc2cc(C[NH2+]C3CCN(c4ccncc4)CC3)ccc2[nH]1 ZINC000298170570 132049069 /nfs/dbraw/zinc/04/90/69/132049069.db2.gz UGMKHCJMQSJONI-UHFFFAOYSA-N 1 3 320.440 3.630 20 0 DHADHO c1ccc([C@H]2CCC[C@H]2[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298497438 132065480 /nfs/dbraw/zinc/06/54/80/132065480.db2.gz QFUCPNUVYAKBDJ-NHCUHLMSSA-N 1 3 321.468 3.976 20 0 DHADHO CC[C@@H](c1ccc(Br)cc1)N1CCC(C[NH3+])CC1 ZINC000044511855 132159379 /nfs/dbraw/zinc/15/93/79/132159379.db2.gz OWKKNHHNIRPMED-HNNXBMFYSA-N 1 3 311.267 3.571 20 0 DHADHO CC[C@@H](c1ccc(Cl)cc1)N1CCC(OCCC[NH3+])CC1 ZINC000094070078 331991377 /nfs/dbraw/zinc/99/13/77/331991377.db2.gz KGHGEVKKKQCKHI-KRWDZBQOSA-N 1 3 310.869 3.621 20 0 DHADHO CC(C)[C@H]([NH3+])CCN(C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000128454526 332012546 /nfs/dbraw/zinc/01/25/46/332012546.db2.gz LJHRXNLAPAGOKO-SWLSCSKDSA-N 1 3 300.393 3.654 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000518398060 332025344 /nfs/dbraw/zinc/02/53/44/332025344.db2.gz ZDKQYUMKEVKWMP-HUUCEWRRSA-N 1 3 312.379 3.597 20 0 DHADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000518398060 332025345 /nfs/dbraw/zinc/02/53/45/332025345.db2.gz ZDKQYUMKEVKWMP-HUUCEWRRSA-N 1 3 312.379 3.597 20 0 DHADHO Cc1ccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000162594698 332941997 /nfs/dbraw/zinc/94/19/97/332941997.db2.gz SADFBZRNYOFYCX-QGZVFWFLSA-N 1 3 312.457 3.786 20 0 DHADHO FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000449433781 332185599 /nfs/dbraw/zinc/18/55/99/332185599.db2.gz NUOMFIXUKAXWNE-YJNKXOJESA-N 1 3 304.400 3.714 20 0 DHADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000566244892 332276243 /nfs/dbraw/zinc/27/62/43/332276243.db2.gz AWUDYUBUYOOLHC-LBPRGKRZSA-N 1 3 324.346 3.895 20 0 DHADHO CCC(O)(CC)C(C)(C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000516663834 333122775 /nfs/dbraw/zinc/12/27/75/333122775.db2.gz BTRMFUQECUKACG-UHFFFAOYSA-N 1 3 324.553 3.950 20 0 DHADHO CCC(O)(CC)C(C)(C)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000516663834 333122776 /nfs/dbraw/zinc/12/27/76/333122776.db2.gz BTRMFUQECUKACG-UHFFFAOYSA-N 1 3 324.553 3.950 20 0 DHADHO CC[NH+](CC)CCCC1CCN(Cc2ccncc2C)CC1 ZINC000516710265 333134609 /nfs/dbraw/zinc/13/46/09/333134609.db2.gz OXHRHZHAUASHJD-UHFFFAOYSA-N 1 3 303.494 3.724 20 0 DHADHO FC(F)O[C@@H]1CCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000503869306 333268272 /nfs/dbraw/zinc/26/82/72/333268272.db2.gz DCLCCJFRMKSAIU-HZPDHXFCSA-N 1 3 316.436 3.533 20 0 DHADHO FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000503869306 333268273 /nfs/dbraw/zinc/26/82/73/333268273.db2.gz DCLCCJFRMKSAIU-HZPDHXFCSA-N 1 3 316.436 3.533 20 0 DHADHO COc1ccc2cc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)ccc2c1 ZINC000514088493 333273645 /nfs/dbraw/zinc/27/36/45/333273645.db2.gz LSSWIAPYEHPSDX-NJYVYQBISA-N 1 3 324.468 3.811 20 0 DHADHO COc1ccc2cc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)ccc2c1 ZINC000514088493 333273646 /nfs/dbraw/zinc/27/36/46/333273646.db2.gz LSSWIAPYEHPSDX-NJYVYQBISA-N 1 3 324.468 3.811 20 0 DHADHO COc1ccc2cc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)ccc2c1 ZINC000514088491 333273702 /nfs/dbraw/zinc/27/37/02/333273702.db2.gz LSSWIAPYEHPSDX-HBMCJLEFSA-N 1 3 324.468 3.811 20 0 DHADHO COc1ccc2cc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)ccc2c1 ZINC000514088491 333273704 /nfs/dbraw/zinc/27/37/04/333273704.db2.gz LSSWIAPYEHPSDX-HBMCJLEFSA-N 1 3 324.468 3.811 20 0 DHADHO c1ccc(CN2CCCC[C@@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000390818304 333396077 /nfs/dbraw/zinc/39/60/77/333396077.db2.gz QMUWBHDBKIBNCC-SFHVURJKSA-N 1 3 318.530 3.774 20 0 DHADHO CCOCC(C)(C)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000411768052 333705633 /nfs/dbraw/zinc/70/56/33/333705633.db2.gz PZHYFPRGYFGIQC-UHFFFAOYSA-N 1 3 304.478 3.577 20 0 DHADHO C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cccc(OCC[NH+](C)C)c1 ZINC000414291366 333934306 /nfs/dbraw/zinc/93/43/06/333934306.db2.gz UEMXCSBPGIDWCC-ZTFGCOKTSA-N 1 3 308.441 3.558 20 0 DHADHO Cc1ccc(COc2ccc(CN3C[C@@H](C[NH3+])C[C@H]3C)cc2)cc1 ZINC000414658368 334058674 /nfs/dbraw/zinc/05/86/74/334058674.db2.gz JHLSHOGOAPRHJM-YLJYHZDGSA-N 1 3 324.468 3.743 20 0 DHADHO C[NH2+]C[C@@H]1CCCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414659206 334059110 /nfs/dbraw/zinc/05/91/10/334059110.db2.gz SIXNWWYQCXDYBA-KGLIPLIRSA-N 1 3 314.395 3.740 20 0 DHADHO C[C@H](N)[C@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414657629 334059499 /nfs/dbraw/zinc/05/94/99/334059499.db2.gz HVYOIIHOHFBGEV-AVRDEDQJSA-N 1 3 322.496 3.757 20 0 DHADHO C[C@H](N)[C@H]1CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000414657629 334059500 /nfs/dbraw/zinc/05/95/00/334059500.db2.gz HVYOIIHOHFBGEV-AVRDEDQJSA-N 1 3 322.496 3.757 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c2ccccc21 ZINC000343531780 335175532 /nfs/dbraw/zinc/17/55/32/335175532.db2.gz OGSYIPSOWXKMGI-WOCWXWTJSA-N 1 3 316.489 3.714 20 0 DHADHO CC(C)C[C@@H](C)CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000414708188 334071842 /nfs/dbraw/zinc/07/18/42/334071842.db2.gz CNRWAFOLNHUJMC-MJGOQNOKSA-N 1 3 303.494 3.708 20 0 DHADHO NC[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1c1ccccc1 ZINC000414728674 334075090 /nfs/dbraw/zinc/07/50/90/334075090.db2.gz COHQRDQPQUWMLM-RTWAWAEBSA-N 1 3 306.453 3.738 20 0 DHADHO NC[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1c1ccccc1 ZINC000414728674 334075091 /nfs/dbraw/zinc/07/50/91/334075091.db2.gz COHQRDQPQUWMLM-RTWAWAEBSA-N 1 3 306.453 3.738 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414792044 334098322 /nfs/dbraw/zinc/09/83/22/334098322.db2.gz BWFLQIMLAPIFCY-BZPMIXESSA-N 1 3 300.899 3.830 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414792048 334098391 /nfs/dbraw/zinc/09/83/91/334098391.db2.gz BWFLQIMLAPIFCY-DYEKYZERSA-N 1 3 300.899 3.830 20 0 DHADHO CC(C)[C@@H](N)C[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414792587 334098555 /nfs/dbraw/zinc/09/85/55/334098555.db2.gz JDPOGFLMEKVFCD-AVKJRPAMSA-N 1 3 324.468 3.852 20 0 DHADHO CC(C)(N)C[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414803179 334102456 /nfs/dbraw/zinc/10/24/56/334102456.db2.gz LVJIAQABQDSNOL-RMKNXTFCSA-N 1 3 310.441 3.606 20 0 DHADHO CCC([NH3+])(CC)CNC[C@H](C)c1cccc(Br)c1 ZINC000414802992 334102532 /nfs/dbraw/zinc/10/25/32/334102532.db2.gz CHIVZWHDILOAGL-LBPRGKRZSA-N 1 3 313.283 3.660 20 0 DHADHO CCCC[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414806314 334104466 /nfs/dbraw/zinc/10/44/66/334104466.db2.gz BIXPZLJNOLLOPL-CVEARBPZSA-N 1 3 319.493 3.634 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414817195 334106922 /nfs/dbraw/zinc/10/69/22/334106922.db2.gz AEUJEAWLLQVTKZ-UMVBOHGHSA-N 1 3 314.395 3.614 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414817195 334106923 /nfs/dbraw/zinc/10/69/23/334106923.db2.gz AEUJEAWLLQVTKZ-UMVBOHGHSA-N 1 3 314.395 3.614 20 0 DHADHO CCCC[C@@H](CN)[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000414818627 334108017 /nfs/dbraw/zinc/10/80/17/334108017.db2.gz WGWYHYCMAZNJNB-HNNXBMFYSA-N 1 3 303.475 3.726 20 0 DHADHO c1ccc(CSCCNC2CC[NH+](C3CCC3)CC2)cc1 ZINC000280744293 334119940 /nfs/dbraw/zinc/11/99/40/334119940.db2.gz BAJSBPXPCNFQAR-UHFFFAOYSA-N 1 3 304.503 3.526 20 0 DHADHO C[C@@H](Cc1c(Cl)cccc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000414852649 334127100 /nfs/dbraw/zinc/12/71/00/334127100.db2.gz KFERXEZAGOBOIG-NWDGAFQWSA-N 1 3 301.261 3.514 20 0 DHADHO NC1(C[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CCC1 ZINC000414871988 334143048 /nfs/dbraw/zinc/14/30/48/334143048.db2.gz DVMGUOOMQWZDNC-YWEYNIOJSA-N 1 3 322.452 3.750 20 0 DHADHO C[C@H](C[NH2+]C[C@]1(C)CCCNC1)c1ccc(C(F)(F)F)cc1 ZINC000414897991 334161274 /nfs/dbraw/zinc/16/12/74/334161274.db2.gz AOLAOURULKYNRI-CZUORRHYSA-N 1 3 314.395 3.788 20 0 DHADHO CC1([NH2+]CCCc2c(Cl)cccc2Cl)CCNCC1 ZINC000414930408 334194191 /nfs/dbraw/zinc/19/41/91/334194191.db2.gz AUTGZYZWNDTXMT-UHFFFAOYSA-N 1 3 301.261 3.658 20 0 DHADHO CC1(NCCCc2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000414930408 334194193 /nfs/dbraw/zinc/19/41/93/334194193.db2.gz AUTGZYZWNDTXMT-UHFFFAOYSA-N 1 3 301.261 3.658 20 0 DHADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000293684544 334200874 /nfs/dbraw/zinc/20/08/74/334200874.db2.gz RQEMBXUKBFKWRB-JFIYKMOQSA-N 1 3 316.489 3.566 20 0 DHADHO C[C@@H](CC[NH2+]C[C@H]1CCCNC1)c1cccc(C(F)(F)F)c1 ZINC000415083833 334272373 /nfs/dbraw/zinc/27/23/73/334272373.db2.gz FVFOJZHJQCSRTM-KBPBESRZSA-N 1 3 314.395 3.788 20 0 DHADHO C[C@@H](CCNC[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415083833 334272374 /nfs/dbraw/zinc/27/23/74/334272374.db2.gz FVFOJZHJQCSRTM-KBPBESRZSA-N 1 3 314.395 3.788 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)CCN1 ZINC000414951322 334207500 /nfs/dbraw/zinc/20/75/00/334207500.db2.gz PSEVIKLEKHMVCM-NEPJUHHUSA-N 1 3 301.261 3.656 20 0 DHADHO C[C@@H]1C[C@@H](NCCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414951322 334207502 /nfs/dbraw/zinc/20/75/02/334207502.db2.gz PSEVIKLEKHMVCM-NEPJUHHUSA-N 1 3 301.261 3.656 20 0 DHADHO Cc1ccc(-c2ccc(C[NH2+][C@H]3CCN[C@@H](C)C3)s2)cc1 ZINC000414959015 334211125 /nfs/dbraw/zinc/21/11/25/334211125.db2.gz WWHKZSLKTOYEPT-HOCLYGCPSA-N 1 3 300.471 3.954 20 0 DHADHO Cc1cc(N)cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000414968645 334215386 /nfs/dbraw/zinc/21/53/86/334215386.db2.gz SBRTYOIXJUFLBP-UWJYYQICSA-N 1 3 323.484 3.720 20 0 DHADHO Cc1cc(N)cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000414968645 334215388 /nfs/dbraw/zinc/21/53/88/334215388.db2.gz SBRTYOIXJUFLBP-UWJYYQICSA-N 1 3 323.484 3.720 20 0 DHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415082351 334273226 /nfs/dbraw/zinc/27/32/26/334273226.db2.gz OFSWLIIVMKSSAA-WWGRRREGSA-N 1 3 314.395 3.757 20 0 DHADHO c1ccc2c(c1)cccc2OCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415082280 334273239 /nfs/dbraw/zinc/27/32/39/334273239.db2.gz DBHBUCSUCJTKST-ZCNNSNEGSA-N 1 3 324.468 3.729 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](CNCc2c(Cl)cccc2N2CCCC2)C1 ZINC000414991218 334230781 /nfs/dbraw/zinc/23/07/81/334230781.db2.gz ATDALXHXHUUMSE-HUUCEWRRSA-N 1 3 321.896 3.547 20 0 DHADHO C[C@@H](CCCC[NH3+])NCc1cc(Cl)ccc1OCC1CC1 ZINC000415017939 334259141 /nfs/dbraw/zinc/25/91/41/334259141.db2.gz STKLZEVJMQFYTF-ZDUSSCGKSA-N 1 3 310.869 3.736 20 0 DHADHO [NH3+]C[C@H]1CC[C@H](CNCc2csc(-c3ccccc3)n2)CC1 ZINC000415022600 334259690 /nfs/dbraw/zinc/25/96/90/334259690.db2.gz JCSYNTQSMANKCJ-SHTZXODSSA-N 1 3 315.486 3.665 20 0 DHADHO [NH3+]C[C@H]1CC[C@H](NCc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415032827 334260264 /nfs/dbraw/zinc/26/02/64/334260264.db2.gz IKFOZFAWAGNQFV-CABZTGNLSA-N 1 3 306.759 3.576 20 0 DHADHO [NH3+]CCC[C@@H](NCc1cnc(C2CCC2)s1)c1ccccc1 ZINC000415047709 334261454 /nfs/dbraw/zinc/26/14/54/334261454.db2.gz FNHDBADZUKOXLQ-QGZVFWFLSA-N 1 3 315.486 3.980 20 0 DHADHO CC(C)COc1ccc(C(C)(C)CNC[C@@]2(C)CC[NH2+]C2)cc1 ZINC000415077282 334268483 /nfs/dbraw/zinc/26/84/83/334268483.db2.gz HFRNPTVXLVPXCE-FQEVSTJZSA-N 1 3 318.505 3.588 20 0 DHADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCCC[NH3+] ZINC000415080096 334269779 /nfs/dbraw/zinc/26/97/79/334269779.db2.gz KZZCNWLAUPAMCG-SNVBAGLBSA-N 1 3 309.866 3.771 20 0 DHADHO Cc1cccc(C)c1OCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415088908 334279676 /nfs/dbraw/zinc/27/96/76/334279676.db2.gz YESCDCLDNNSMQO-QRVBRYPASA-N 1 3 316.489 3.583 20 0 DHADHO c1ccc2c(c1)C1C[C@@H](CN[C@@H]3CCC[NH2+]C3)C2c2ccccc21 ZINC000415100096 334279749 /nfs/dbraw/zinc/27/97/49/334279749.db2.gz HJRYAQHCUGHCOM-WRUITMHCSA-N 1 3 318.464 3.625 20 0 DHADHO COc1cccc2c1CC[C@@H]2N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415092216 334280274 /nfs/dbraw/zinc/28/02/74/334280274.db2.gz SHIOKJWUSXSEFY-VDGAXYAQSA-N 1 3 322.452 3.765 20 0 DHADHO COc1cccc2c1CC[C@@H]2N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415092208 334280286 /nfs/dbraw/zinc/28/02/86/334280286.db2.gz SHIOKJWUSXSEFY-FFZOFVMBSA-N 1 3 322.452 3.765 20 0 DHADHO CCOCc1ccccc1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415097764 334281240 /nfs/dbraw/zinc/28/12/40/334281240.db2.gz DKKYFQJMHSLSQC-LEWJYISDSA-N 1 3 324.468 3.806 20 0 DHADHO CC(C)c1nc(CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cs1 ZINC000415121723 334284466 /nfs/dbraw/zinc/28/44/66/334284466.db2.gz ZJLVZPIJCHMYQZ-GJZGRUSLSA-N 1 3 309.523 3.709 20 0 DHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccccc2)CC1 ZINC000531932740 334297227 /nfs/dbraw/zinc/29/72/27/334297227.db2.gz RZBNZDYSHRHZJZ-PXNSSMCTSA-N 1 3 300.490 3.862 20 0 DHADHO Cc1[nH]c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2c1C ZINC000531956232 334307777 /nfs/dbraw/zinc/30/77/77/334307777.db2.gz LWERLFLQGNQSER-UHFFFAOYSA-N 1 3 311.473 3.749 20 0 DHADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000534660085 334315769 /nfs/dbraw/zinc/31/57/69/334315769.db2.gz RQNHUXBABIAOIX-FUHWJXTLSA-N 1 3 322.880 3.668 20 0 DHADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000534660085 334315770 /nfs/dbraw/zinc/31/57/70/334315770.db2.gz RQNHUXBABIAOIX-FUHWJXTLSA-N 1 3 322.880 3.668 20 0 DHADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](c1ccc(C)o1)C1CCCC1 ZINC000342791996 334571708 /nfs/dbraw/zinc/57/17/08/334571708.db2.gz GBGNYWSDBYMHEJ-PKOBYXMFSA-N 1 3 322.493 3.766 20 0 DHADHO COc1cc([C@@H](C)NCc2ccc(C[NH3+])cc2)ccc1SC ZINC000519651662 335885506 /nfs/dbraw/zinc/88/55/06/335885506.db2.gz DRUBOACEOFSTDE-CYBMUJFWSA-N 1 3 316.470 3.727 20 0 DHADHO CC[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000352567238 336225025 /nfs/dbraw/zinc/22/50/25/336225025.db2.gz ILRVGQBASKKHBZ-NVXWUHKLSA-N 1 3 307.457 3.774 20 0 DHADHO CC[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000352567238 336225026 /nfs/dbraw/zinc/22/50/26/336225026.db2.gz ILRVGQBASKKHBZ-NVXWUHKLSA-N 1 3 307.457 3.774 20 0 DHADHO CCC[N@H+](C)C[C@@H]1CCN(c2cc(CC)nc3ccccc32)C1 ZINC000301801083 336331078 /nfs/dbraw/zinc/33/10/78/336331078.db2.gz SHZXSANOJAAJRH-INIZCTEOSA-N 1 3 311.473 3.965 20 0 DHADHO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(CC)nc3ccccc32)C1 ZINC000301801083 336331079 /nfs/dbraw/zinc/33/10/79/336331079.db2.gz SHZXSANOJAAJRH-INIZCTEOSA-N 1 3 311.473 3.965 20 0 DHADHO C[C@@H]([NH3+])C1CCN([C@@H](C)c2ccccc2Br)CC1 ZINC000110643966 336397000 /nfs/dbraw/zinc/39/70/00/336397000.db2.gz RBTZYYQXDSCEOX-NEPJUHHUSA-N 1 3 311.267 3.569 20 0 DHADHO CC[NH+](CC)CCCC1CCN([C@H](C)c2cccnc2)CC1 ZINC000359887553 336691427 /nfs/dbraw/zinc/69/14/27/336691427.db2.gz WOBOXYSWWVXVQD-QGZVFWFLSA-N 1 3 303.494 3.977 20 0 DHADHO CN1CCC2(CC1)C[C@@H]([NH2+]C1CCCCC1)c1ccccc1O2 ZINC000360254112 336706492 /nfs/dbraw/zinc/70/64/92/336706492.db2.gz MQOXYTWIOLKJLW-GOSISDBHSA-N 1 3 314.473 3.897 20 0 DHADHO C[NH+](C)CCCC1CCN(c2ccncc2-c2cccnc2)CC1 ZINC000376456339 337033796 /nfs/dbraw/zinc/03/37/96/337033796.db2.gz URIRZLNAMQTLJV-UHFFFAOYSA-N 1 3 324.472 3.702 20 0 DHADHO C[N@H+](C/C=C/c1ccccc1)C1CCN(c2ccncc2)CC1 ZINC000377691531 337058497 /nfs/dbraw/zinc/05/84/97/337058497.db2.gz AVCYUDDQIYRARC-VMPITWQZSA-N 1 3 307.441 3.696 20 0 DHADHO C[N@@H+](C/C=C/c1ccccc1)C1CCN(c2ccncc2)CC1 ZINC000377691531 337058498 /nfs/dbraw/zinc/05/84/98/337058498.db2.gz AVCYUDDQIYRARC-VMPITWQZSA-N 1 3 307.441 3.696 20 0 DHADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000378399390 337071826 /nfs/dbraw/zinc/07/18/26/337071826.db2.gz FYFSBAAYIVTVFL-IEBWSBKVSA-N 1 3 322.537 3.967 20 0 DHADHO C[C@@H](C[NH2+]CCCN1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000582633946 337116381 /nfs/dbraw/zinc/11/63/81/337116381.db2.gz YPCJJRSHRHHIRQ-AWEZNQCLSA-N 1 3 314.395 3.884 20 0 DHADHO C[C@@H](CNCCC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000582633946 337116382 /nfs/dbraw/zinc/11/63/82/337116382.db2.gz YPCJJRSHRHHIRQ-AWEZNQCLSA-N 1 3 314.395 3.884 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccncc1 ZINC000174158160 337139635 /nfs/dbraw/zinc/13/96/35/337139635.db2.gz NGWPLSGPPNTKKL-ZVZYQTTQSA-N 1 3 315.486 3.877 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccncc1 ZINC000174158160 337139636 /nfs/dbraw/zinc/13/96/36/337139636.db2.gz NGWPLSGPPNTKKL-ZVZYQTTQSA-N 1 3 315.486 3.877 20 0 DHADHO CC1(C)Cc2occc2[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000178254840 337161651 /nfs/dbraw/zinc/16/16/51/337161651.db2.gz FUSISDMNUGQINU-KRWDZBQOSA-N 1 3 302.462 3.757 20 0 DHADHO CCC[NH+]1CCC(CN[C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182062091 337186121 /nfs/dbraw/zinc/18/61/21/337186121.db2.gz RSNWNFBTPILMJH-GOSISDBHSA-N 1 3 320.452 3.751 20 0 DHADHO FC(F)(F)C1CCC(C[N@@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000185516857 337248797 /nfs/dbraw/zinc/24/87/97/337248797.db2.gz GOGVUUMBLFASOB-HWOWSKLDSA-N 1 3 318.427 3.773 20 0 DHADHO FC(F)(F)C1CCC(C[N@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000185516857 337248798 /nfs/dbraw/zinc/24/87/98/337248798.db2.gz GOGVUUMBLFASOB-HWOWSKLDSA-N 1 3 318.427 3.773 20 0 DHADHO CC(C)COc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000583170503 337250856 /nfs/dbraw/zinc/25/08/56/337250856.db2.gz BBYLQKSRFQDTDX-DFNIBXOVSA-N 1 3 316.489 3.778 20 0 DHADHO CC(C)COc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000583170503 337250857 /nfs/dbraw/zinc/25/08/57/337250857.db2.gz BBYLQKSRFQDTDX-DFNIBXOVSA-N 1 3 316.489 3.778 20 0 DHADHO CCCCOc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000583899643 337384795 /nfs/dbraw/zinc/38/47/95/337384795.db2.gz ZFDHLNBHTGCUHJ-UYAOXDASSA-N 1 3 316.489 3.782 20 0 DHADHO CCCCOc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000583899643 337384796 /nfs/dbraw/zinc/38/47/96/337384796.db2.gz ZFDHLNBHTGCUHJ-UYAOXDASSA-N 1 3 316.489 3.782 20 0 DHADHO COc1ccc([C@H](CNc2cc[nH+]cc2C)N2CCCC2)cc1 ZINC000195332754 337467670 /nfs/dbraw/zinc/46/76/70/337467670.db2.gz VIYWSURTHIEXFK-IBGZPJMESA-N 1 3 311.429 3.648 20 0 DHADHO C[C@H](c1cccc(Cl)c1)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420387459 337500520 /nfs/dbraw/zinc/50/05/20/337500520.db2.gz VWGZZNYMRKJCNG-FSPWUOQZSA-N 1 3 322.880 3.619 20 0 DHADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422720785 337684104 /nfs/dbraw/zinc/68/41/04/337684104.db2.gz MWDBGMDNCGIBQO-BBRMVZONSA-N 1 3 314.395 3.616 20 0 DHADHO Cc1ccsc1[C@@H](Cc1ccccc1)N[C@@H](C)C1C[NH2+]C1 ZINC000422754595 337685307 /nfs/dbraw/zinc/68/53/07/337685307.db2.gz FBHTZHMSEBHPON-WMLDXEAASA-N 1 3 300.471 3.538 20 0 DHADHO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)s1 ZINC000422761763 337685363 /nfs/dbraw/zinc/68/53/63/337685363.db2.gz MEZGZOQXGGARNX-DGCLKSJQSA-N 1 3 303.475 3.500 20 0 DHADHO Cc1ccc2c(CC[NH2+][C@@H](C)c3ccc(CN)nc3C)c[nH]c2c1 ZINC000422840640 337688678 /nfs/dbraw/zinc/68/86/78/337688678.db2.gz BWGLXHBXLLKSJR-AWEZNQCLSA-N 1 3 322.456 3.532 20 0 DHADHO [NH3+]CC1CCC(NCc2nc3cc(Cl)ccc3s2)CC1 ZINC000422906035 337690664 /nfs/dbraw/zinc/69/06/64/337690664.db2.gz TZKZPUCOXCMRRQ-UHFFFAOYSA-N 1 3 309.866 3.557 20 0 DHADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422910729 337691023 /nfs/dbraw/zinc/69/10/23/337691023.db2.gz RPDUXKGLDFPKOE-YOEHRIQHSA-N 1 3 306.881 3.739 20 0 DHADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)cccc1Cl ZINC000422920961 337691424 /nfs/dbraw/zinc/69/14/24/337691424.db2.gz ODJDIVXZVMUSFS-FUNVUKJBSA-N 1 3 310.844 3.629 20 0 DHADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422932637 337692307 /nfs/dbraw/zinc/69/23/07/337692307.db2.gz GEIQSDYCOSDYSS-RHSMWYFYSA-N 1 3 310.869 3.606 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCc1ccc(Cl)cc1 ZINC000422948285 337694175 /nfs/dbraw/zinc/69/41/75/337694175.db2.gz RPKDYRIUMVZLKE-CYBMUJFWSA-N 1 3 317.864 3.786 20 0 DHADHO C[C@@H](NC1CCC(C[NH3+])CC1)c1nc(-c2ccccc2)cs1 ZINC000422952463 337694658 /nfs/dbraw/zinc/69/46/58/337694658.db2.gz CLTDWROSKVPROI-VQCLRJIVSA-N 1 3 315.486 3.978 20 0 DHADHO Cc1oc2ccccc2c1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423054834 337697312 /nfs/dbraw/zinc/69/73/12/337697312.db2.gz VGGONUVGQFSNPW-QRVBRYPASA-N 1 3 312.457 3.794 20 0 DHADHO Cc1ccc(C2(C[NH2+][C@@H](C)c3ccc(CN)nc3C)CC2)c(C)c1 ZINC000423142323 337701389 /nfs/dbraw/zinc/70/13/89/337701389.db2.gz AADDOJOQGLBKTJ-INIZCTEOSA-N 1 3 323.484 3.848 20 0 DHADHO COc1ccc([C@H](CCC(C)C)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423219089 337705026 /nfs/dbraw/zinc/70/50/26/337705026.db2.gz WBLXDEPKUMJSEN-APWZRJJASA-N 1 3 304.478 3.762 20 0 DHADHO CC[C@@H](CSc1ccc(Cl)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000423220011 337705234 /nfs/dbraw/zinc/70/52/34/337705234.db2.gz XQJRVNYJNKDMDU-ZFWWWQNUSA-N 1 3 312.910 3.800 20 0 DHADHO C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCNC2)cc1 ZINC000423220067 337705340 /nfs/dbraw/zinc/70/53/40/337705340.db2.gz XVKNVLYUKJFIIO-YAUKXXINSA-N 1 3 316.489 3.552 20 0 DHADHO Fc1ccc([C@H](NCC[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423261380 337708071 /nfs/dbraw/zinc/70/80/71/337708071.db2.gz SBOZSZRQWNERAV-OXJNMPFZSA-N 1 3 312.432 3.894 20 0 DHADHO COc1ccc2c(c1F)CC[C@@H]2NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423294592 337710633 /nfs/dbraw/zinc/71/06/33/337710633.db2.gz UXIYBTGSVGCAPK-SJCJKPOMSA-N 1 3 314.404 3.631 20 0 DHADHO [NH3+]CCCCN[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423327312 337712147 /nfs/dbraw/zinc/71/21/47/337712147.db2.gz MTZLOUTUZFBQQP-KRWDZBQOSA-N 1 3 306.812 3.897 20 0 DHADHO [NH3+]CCCCN[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423337348 337712716 /nfs/dbraw/zinc/71/27/16/337712716.db2.gz VIADODYNSXMXSJ-KRWDZBQOSA-N 1 3 320.383 3.706 20 0 DHADHO CC(C)Oc1ccc([C@H](C)NCC2=CC[NH2+]CC2)cc1Cl ZINC000423342189 337713026 /nfs/dbraw/zinc/71/30/26/337713026.db2.gz CZUJJGVRPIDXRH-ZDUSSCGKSA-N 1 3 308.853 3.698 20 0 DHADHO CCCCCOc1ccc([C@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423344397 337713196 /nfs/dbraw/zinc/71/31/96/337713196.db2.gz MTJISPWBGURIBL-INIZCTEOSA-N 1 3 302.462 3.826 20 0 DHADHO COc1ccccc1[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000423407355 337716089 /nfs/dbraw/zinc/71/60/89/337716089.db2.gz ZYUWSPDFPDQWRR-JTDSTZFVSA-N 1 3 302.462 3.786 20 0 DHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CCN1 ZINC000423382848 337717600 /nfs/dbraw/zinc/71/76/00/337717600.db2.gz OSZCVBNHOIJISC-AETAKHFUSA-N 1 3 306.881 3.781 20 0 DHADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@@H](N)C2)cc1F ZINC000423387424 337717994 /nfs/dbraw/zinc/71/79/94/337717994.db2.gz MRLFZUCXZKCJBY-CVYDXHPNSA-N 1 3 320.452 3.720 20 0 DHADHO Clc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)CCCO2 ZINC000423451115 337720041 /nfs/dbraw/zinc/72/00/41/337720041.db2.gz XVAVYCKIQUPUAD-USXIJHARSA-N 1 3 320.864 3.531 20 0 DHADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1OC(F)F ZINC000423474480 337721432 /nfs/dbraw/zinc/72/14/32/337721432.db2.gz HKVNRPZILDSWTH-AAEUAGOBSA-N 1 3 316.367 3.610 20 0 DHADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1OC(F)F ZINC000423474495 337721453 /nfs/dbraw/zinc/72/14/53/337721453.db2.gz HKVNRPZILDSWTH-YPMHNXCESA-N 1 3 316.367 3.610 20 0 DHADHO C[C@H]([NH2+]CC1(C2CC2)CCC1)c1cccc(OCCN(C)C)c1 ZINC000536836532 337735955 /nfs/dbraw/zinc/73/59/55/337735955.db2.gz BEFYUYJBLVOYAF-INIZCTEOSA-N 1 3 316.489 3.858 20 0 DHADHO c1cc2ccc(C[NH2+]CC3CCN(c4ccncc4)CC3)cc2[nH]1 ZINC000527686956 337755808 /nfs/dbraw/zinc/75/58/08/337755808.db2.gz YCMYYXGPDBGTRC-UHFFFAOYSA-N 1 3 320.440 3.569 20 0 DHADHO CCC[NH+]1CCC(CN[C@H](C)c2ccc(OC)cc2F)CC1 ZINC000122659870 337923689 /nfs/dbraw/zinc/92/36/89/337923689.db2.gz QPAQYCZEBUVHQA-CQSZACIVSA-N 1 3 308.441 3.607 20 0 DHADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CC=CCC3)CC2)C[C@@H](C)O1 ZINC000537658119 337957119 /nfs/dbraw/zinc/95/71/19/337957119.db2.gz ARBMLBUCSKKTIY-GGPKGHCWSA-N 1 3 320.521 3.554 20 0 DHADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccccc4F)o3)C2)C1 ZINC000430116901 338097829 /nfs/dbraw/zinc/09/78/29/338097829.db2.gz HUIZMMZAZFTMLL-LJQANCHMSA-N 1 3 314.404 3.613 20 0 DHADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccc4F)o3)C2)C1 ZINC000430116901 338097830 /nfs/dbraw/zinc/09/78/30/338097830.db2.gz HUIZMMZAZFTMLL-LJQANCHMSA-N 1 3 314.404 3.613 20 0 DHADHO CC(C)CCOc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000430163502 338099553 /nfs/dbraw/zinc/09/95/53/338099553.db2.gz LQSWIYKXPBYHFL-FQEVSTJZSA-N 1 3 316.489 3.639 20 0 DHADHO CC(C)CCOc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000430163502 338099554 /nfs/dbraw/zinc/09/95/54/338099554.db2.gz LQSWIYKXPBYHFL-FQEVSTJZSA-N 1 3 316.489 3.639 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@H](CNCCSCc2ccccc2)C1 ZINC000430759236 338113974 /nfs/dbraw/zinc/11/39/74/338113974.db2.gz XFADUAXINKPKON-LJQANCHMSA-N 1 3 320.546 3.877 20 0 DHADHO CC(C)C[N@H+]1CCC[C@H](CNCCSCc2ccccc2)C1 ZINC000430759236 338113975 /nfs/dbraw/zinc/11/39/75/338113975.db2.gz XFADUAXINKPKON-LJQANCHMSA-N 1 3 320.546 3.877 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000430759236 338113976 /nfs/dbraw/zinc/11/39/76/338113976.db2.gz XFADUAXINKPKON-LJQANCHMSA-N 1 3 320.546 3.877 20 0 DHADHO Cc1cccc2c1[C@H](C)C[C@H]2NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432413442 338155333 /nfs/dbraw/zinc/15/53/33/338155333.db2.gz MOEYIJGXGUIWCC-ZHALLVOQSA-N 1 3 316.489 3.634 20 0 DHADHO Cc1cccc2c1[C@H](C)C[C@H]2NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432413442 338155334 /nfs/dbraw/zinc/15/53/34/338155334.db2.gz MOEYIJGXGUIWCC-ZHALLVOQSA-N 1 3 316.489 3.634 20 0 DHADHO C[C@@H]1CC[C@H](NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000432422029 338156047 /nfs/dbraw/zinc/15/60/47/338156047.db2.gz CDUVQJHGPIXKSM-HLIPFELVSA-N 1 3 316.489 3.716 20 0 DHADHO C[C@@H]1CC[C@H](NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000432422029 338156048 /nfs/dbraw/zinc/15/60/48/338156048.db2.gz CDUVQJHGPIXKSM-HLIPFELVSA-N 1 3 316.489 3.716 20 0 DHADHO CC(C)c1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432426513 338156184 /nfs/dbraw/zinc/15/61/84/338156184.db2.gz RWVOLQSJTYXZCC-MSOLQXFVSA-N 1 3 318.505 3.962 20 0 DHADHO CC(C)c1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432426513 338156185 /nfs/dbraw/zinc/15/61/85/338156185.db2.gz RWVOLQSJTYXZCC-MSOLQXFVSA-N 1 3 318.505 3.962 20 0 DHADHO CC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000432441861 338156533 /nfs/dbraw/zinc/15/65/33/338156533.db2.gz KXYDTBCJBAXYSD-YJBOKZPZSA-N 1 3 324.896 3.882 20 0 DHADHO CC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000432441861 338156534 /nfs/dbraw/zinc/15/65/34/338156534.db2.gz KXYDTBCJBAXYSD-YJBOKZPZSA-N 1 3 324.896 3.882 20 0 DHADHO Cc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)cc1C ZINC000433078405 338180526 /nfs/dbraw/zinc/18/05/26/338180526.db2.gz RTPZUEQMAUNTSF-UXHICEINSA-N 1 3 312.501 3.942 20 0 DHADHO Cc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1C ZINC000433078405 338180527 /nfs/dbraw/zinc/18/05/27/338180527.db2.gz RTPZUEQMAUNTSF-UXHICEINSA-N 1 3 312.501 3.942 20 0 DHADHO Cc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1C ZINC000433078407 338180683 /nfs/dbraw/zinc/18/06/83/338180683.db2.gz RTPZUEQMAUNTSF-VQTJNVASSA-N 1 3 312.501 3.942 20 0 DHADHO Cc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1C ZINC000433078407 338180684 /nfs/dbraw/zinc/18/06/84/338180684.db2.gz RTPZUEQMAUNTSF-VQTJNVASSA-N 1 3 312.501 3.942 20 0 DHADHO CSC1(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000433097675 338181541 /nfs/dbraw/zinc/18/15/41/338181541.db2.gz ORBYZEXKNLLTCC-NVXWUHKLSA-N 1 3 310.551 3.905 20 0 DHADHO CSC1(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000433097675 338181542 /nfs/dbraw/zinc/18/15/42/338181542.db2.gz ORBYZEXKNLLTCC-NVXWUHKLSA-N 1 3 310.551 3.905 20 0 DHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000153345918 338222872 /nfs/dbraw/zinc/22/28/72/338222872.db2.gz HCSFFWYDIATKTM-CQSZACIVSA-N 1 3 308.441 3.749 20 0 DHADHO COc1ccccc1-c1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000435381865 338238395 /nfs/dbraw/zinc/23/83/95/338238395.db2.gz YJUIYQHVPLTWLE-IHPCNDPISA-N 1 3 322.452 3.531 20 0 DHADHO COc1ccccc1-c1ccc(CN2CCC[C@H](C[NH3+])C2)cc1 ZINC000435383507 338238497 /nfs/dbraw/zinc/23/84/97/338238497.db2.gz HHHMTJJVRIHQOF-QGZVFWFLSA-N 1 3 310.441 3.533 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438221795 338337067 /nfs/dbraw/zinc/33/70/67/338337067.db2.gz XRUWOOLKEJNXAY-YZGWKJHDSA-N 1 3 300.490 3.818 20 0 DHADHO COc1ccc(Cl)cc1[C@H](C)NCC1CC[NH+](C2CC2)CC1 ZINC000447554290 338556469 /nfs/dbraw/zinc/55/64/69/338556469.db2.gz UYFVBDZUXMALTD-ZDUSSCGKSA-N 1 3 322.880 3.874 20 0 DHADHO CCC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCC1 ZINC000453139507 338798641 /nfs/dbraw/zinc/79/86/41/338798641.db2.gz BERDKEREDXWYCM-IBGZPJMESA-N 1 3 301.478 3.856 20 0 DHADHO C[C@H](CCCc1cccnc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000453200267 338806893 /nfs/dbraw/zinc/80/68/93/338806893.db2.gz AMECTNMLRUEOSU-QGZVFWFLSA-N 1 3 303.494 3.504 20 0 DHADHO c1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)ccn1 ZINC000459379009 339025757 /nfs/dbraw/zinc/02/57/57/339025757.db2.gz OROKOQRACHIHCE-JENIJYKNSA-N 1 3 313.489 3.999 20 0 DHADHO CSc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000459478517 339031722 /nfs/dbraw/zinc/03/17/22/339031722.db2.gz SVBCDJSGALGMFP-UHFFFAOYSA-N 1 3 313.470 3.562 20 0 DHADHO CO[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C12CCC2 ZINC000459798381 339049198 /nfs/dbraw/zinc/04/91/98/339049198.db2.gz XMMVSFJFLFPUPU-XGXHKWSGSA-N 1 3 320.521 3.577 20 0 DHADHO CO[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C12CCC2 ZINC000459798381 339049199 /nfs/dbraw/zinc/04/91/99/339049199.db2.gz XMMVSFJFLFPUPU-XGXHKWSGSA-N 1 3 320.521 3.577 20 0 DHADHO CCC[NH+]1CCC(N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000462102414 339072136 /nfs/dbraw/zinc/07/21/36/339072136.db2.gz BZNGGAZOIBTJNK-UXHICEINSA-N 1 3 316.489 3.679 20 0 DHADHO FCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000462816455 339091554 /nfs/dbraw/zinc/09/15/54/339091554.db2.gz LOPUJZKXNDGICN-IPMKNSEASA-N 1 3 304.453 3.626 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000463542022 339120805 /nfs/dbraw/zinc/12/08/05/339120805.db2.gz IOFQMNQRHCWEEZ-BHIYHBOVSA-N 1 3 300.490 3.890 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000466344161 339200048 /nfs/dbraw/zinc/20/00/48/339200048.db2.gz ACVJWFBECYJVLQ-YSTOQKLRSA-N 1 3 322.537 3.539 20 0 DHADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000467305963 339230732 /nfs/dbraw/zinc/23/07/32/339230732.db2.gz VXZLWGUEKOILKF-QZTJIDSGSA-N 1 3 303.494 3.738 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C1 ZINC000467363698 339234228 /nfs/dbraw/zinc/23/42/28/339234228.db2.gz DLIFMDLVKKFQSW-HCXYKTFWSA-N 1 3 315.505 3.879 20 0 DHADHO CCCCN1CCC([NH2+][C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000467376826 339235265 /nfs/dbraw/zinc/23/52/65/339235265.db2.gz KYLIWNRLERJFLU-SFHVURJKSA-N 1 3 320.452 3.676 20 0 DHADHO C[C@H](CC(F)(F)F)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000468028024 339251515 /nfs/dbraw/zinc/25/15/15/339251515.db2.gz UZTGINNHIBEEGN-OLZOCXBDSA-N 1 3 318.383 3.619 20 0 DHADHO CCc1cccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000469767429 339298331 /nfs/dbraw/zinc/29/83/31/339298331.db2.gz YPVKMKUHXZCLKX-UHFFFAOYSA-N 1 3 323.484 3.992 20 0 DHADHO CCc1cccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000469767429 339298332 /nfs/dbraw/zinc/29/83/32/339298332.db2.gz YPVKMKUHXZCLKX-UHFFFAOYSA-N 1 3 323.484 3.992 20 0 DHADHO CC[C@@H](c1ccc(F)cc1)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000472273812 339368514 /nfs/dbraw/zinc/36/85/14/339368514.db2.gz IVFPMDIPDWWGEF-OALUTQOASA-N 1 3 322.468 3.710 20 0 DHADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000474057035 339399712 /nfs/dbraw/zinc/39/97/12/339399712.db2.gz VXYJYPRLOQMVMT-UJMXGEILSA-N 1 3 322.537 3.539 20 0 DHADHO Cc1cccc(C)c1OCCCN(C)C1CC[NH+](C(C)C)CC1 ZINC000496935139 340016545 /nfs/dbraw/zinc/01/65/45/340016545.db2.gz YSWBPEXRKZBACS-UHFFFAOYSA-N 1 3 318.505 3.877 20 0 DHADHO CCC[N@H+](CC[C@H]1CCCN1C)[C@H](C)c1ccccc1OC ZINC000502716542 340112142 /nfs/dbraw/zinc/11/21/42/340112142.db2.gz PDEZGNLOAZNTFU-IAGOWNOFSA-N 1 3 304.478 3.953 20 0 DHADHO CCC[N@@H+](CC[C@H]1CCCN1C)[C@H](C)c1ccccc1OC ZINC000502716542 340112143 /nfs/dbraw/zinc/11/21/43/340112143.db2.gz PDEZGNLOAZNTFU-IAGOWNOFSA-N 1 3 304.478 3.953 20 0 DHADHO C[N@@H+]1CCC[C@H]1CCN1CCC(Cc2ccccc2F)CC1 ZINC000502860640 340114949 /nfs/dbraw/zinc/11/49/49/340114949.db2.gz YYZOITYTILKBCL-SFHVURJKSA-N 1 3 304.453 3.565 20 0 DHADHO C[N@H+]1CCC[C@H]1CCN1CCC(Cc2ccccc2F)CC1 ZINC000502860640 340114950 /nfs/dbraw/zinc/11/49/50/340114950.db2.gz YYZOITYTILKBCL-SFHVURJKSA-N 1 3 304.453 3.565 20 0 DHADHO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN(CC)CC)CCO1 ZINC000503556105 340130262 /nfs/dbraw/zinc/13/02/62/340130262.db2.gz BGITWCLDPQEEIK-NCXUSEDFSA-N 1 3 310.526 3.682 20 0 DHADHO CCC[NH+](CCC)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000505348125 340166749 /nfs/dbraw/zinc/16/67/49/340166749.db2.gz FOUYBWVLRNJSMN-UHFFFAOYSA-N 1 3 317.521 3.839 20 0 DHADHO CCCC[N@H+](CC)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000505858144 340179971 /nfs/dbraw/zinc/17/99/71/340179971.db2.gz BJHDLRLHSVNWGD-UHFFFAOYSA-N 1 3 317.521 3.839 20 0 DHADHO CCCC[N@@H+](CC)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000505858144 340179972 /nfs/dbraw/zinc/17/99/72/340179972.db2.gz BJHDLRLHSVNWGD-UHFFFAOYSA-N 1 3 317.521 3.839 20 0 DHADHO C[NH+](C)CC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000506852435 340202757 /nfs/dbraw/zinc/20/27/57/340202757.db2.gz WUSLVRQCGBTRFQ-UHFFFAOYSA-N 1 3 315.486 3.584 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2ccc(OC)c(C)c2)CC1 ZINC000506852179 340202850 /nfs/dbraw/zinc/20/28/50/340202850.db2.gz UIZGGTQCQDUENG-UHFFFAOYSA-N 1 3 304.478 3.557 20 0 DHADHO CCOc1ccc(CN2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000506929912 340203935 /nfs/dbraw/zinc/20/39/35/340203935.db2.gz USMVUUWBLVXSHL-UHFFFAOYSA-N 1 3 304.478 3.639 20 0 DHADHO Cc1ccccc1OCCCN(C)C1CC[NH+](C(C)C)CC1 ZINC000507348979 340217830 /nfs/dbraw/zinc/21/78/30/340217830.db2.gz OQSQLBNLMQGTNK-UHFFFAOYSA-N 1 3 304.478 3.569 20 0 DHADHO CC[C@@H]1C[C@H](CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCO1 ZINC000507808850 340232501 /nfs/dbraw/zinc/23/25/01/340232501.db2.gz WVEZRSLTVCKOPQ-ZGXWSNOMSA-N 1 3 322.537 3.778 20 0 DHADHO CC[C@@H]1C[C@H](CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCO1 ZINC000507808850 340232502 /nfs/dbraw/zinc/23/25/02/340232502.db2.gz WVEZRSLTVCKOPQ-ZGXWSNOMSA-N 1 3 322.537 3.778 20 0 DHADHO CS[C@H](C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512630519 340369991 /nfs/dbraw/zinc/36/99/91/340369991.db2.gz MZJWCZUYWCDCQK-XGXHKWSGSA-N 1 3 318.530 3.628 20 0 DHADHO CCC1(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000512964253 340385857 /nfs/dbraw/zinc/38/58/57/340385857.db2.gz NZMWRIGABBPWGS-PKOBYXMFSA-N 1 3 322.537 3.826 20 0 DHADHO COc1cccc([C@H](C)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000175636111 340415978 /nfs/dbraw/zinc/41/59/78/340415978.db2.gz QKMKWYCMZWDSGP-INIZCTEOSA-N 1 3 302.462 3.564 20 0 DHADHO CC[NH+]1CCC(CCN[C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194058846 340588554 /nfs/dbraw/zinc/58/85/54/340588554.db2.gz XTPJKNAXTCIUPQ-GOSISDBHSA-N 1 3 324.896 3.739 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000530207164 340782568 /nfs/dbraw/zinc/78/25/68/340782568.db2.gz CCDLQTSJGQAMTI-AKMUDRQMSA-N 1 3 323.278 3.569 20 0 DHADHO Clc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000530244695 340783546 /nfs/dbraw/zinc/78/35/46/340783546.db2.gz MRJUMWZWVOFBFK-XDNAFOTISA-N 1 3 304.865 3.838 20 0 DHADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc(C[NH+](C)C)c1 ZINC000123733868 340794092 /nfs/dbraw/zinc/79/40/92/340794092.db2.gz NMQYYJJASNQYPR-VLIAUNLRSA-N 1 3 312.432 3.910 20 0 DHADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc(C[NH+](C)C)c1 ZINC000123733686 340794105 /nfs/dbraw/zinc/79/41/05/340794105.db2.gz NMQYYJJASNQYPR-VBKZILBWSA-N 1 3 312.432 3.910 20 0 DHADHO CCc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000539073624 340870666 /nfs/dbraw/zinc/87/06/66/340870666.db2.gz NZXBOFSIRAGVOT-BZSNNMDCSA-N 1 3 318.505 3.789 20 0 DHADHO COc1ccc(C2CCC([NH2+]CC3=CCN(C)CC3)CC2)cc1 ZINC000542484203 341009719 /nfs/dbraw/zinc/00/97/19/341009719.db2.gz UITWQLWSNLCXSC-UHFFFAOYSA-N 1 3 314.473 3.573 20 0 DHADHO C[C@H](NCCO[C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529038 341012354 /nfs/dbraw/zinc/01/23/54/341012354.db2.gz KUDHFVVVKKGTLT-RMJJICAUSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H](NCCO[C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529038 341012355 /nfs/dbraw/zinc/01/23/55/341012355.db2.gz KUDHFVVVKKGTLT-RMJJICAUSA-N 1 3 322.537 3.824 20 0 DHADHO C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)[C@@H]1CCCN(C2CCC2)C1 ZINC000542529038 341012356 /nfs/dbraw/zinc/01/23/56/341012356.db2.gz KUDHFVVVKKGTLT-RMJJICAUSA-N 1 3 322.537 3.824 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)C1 ZINC000542847615 341023289 /nfs/dbraw/zinc/02/32/89/341023289.db2.gz UJMURFUYJLZDJG-KBXCAEBGSA-N 1 3 310.432 3.983 20 0 DHADHO CC(C)CN1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000131221735 341066700 /nfs/dbraw/zinc/06/67/00/341066700.db2.gz PMBONQOMUMQAGV-IBGZPJMESA-N 1 3 318.530 3.727 20 0 DHADHO C[C@@H](NCC(C)(C)C[NH+](C)C)[C@@H](C)c1nc2ccccc2s1 ZINC000132139414 341117088 /nfs/dbraw/zinc/11/70/88/341117088.db2.gz IUEXZBXCNCRDHJ-ZIAGYGMSSA-N 1 3 319.518 3.966 20 0 DHADHO CCCC[C@H](CC)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000545518505 341128213 /nfs/dbraw/zinc/12/82/13/341128213.db2.gz YCVUVZGVDPTHQM-IBGZPJMESA-N 1 3 323.569 3.552 20 0 DHADHO Fc1cc(F)cc(C2CC(NCCC[NH+]3CCCCC3)C2)c1 ZINC000564299392 341152796 /nfs/dbraw/zinc/15/27/96/341152796.db2.gz UYULYRXUMQHKKE-UHFFFAOYSA-N 1 3 308.416 3.676 20 0 DHADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935408 341281608 /nfs/dbraw/zinc/28/16/08/341281608.db2.gz KPMXHBNFOPKRSR-GJZGRUSLSA-N 1 3 318.427 3.915 20 0 DHADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935408 341281609 /nfs/dbraw/zinc/28/16/09/341281609.db2.gz KPMXHBNFOPKRSR-GJZGRUSLSA-N 1 3 318.427 3.915 20 0 DHADHO C[N@@H+]1CC[C@H](NCCOC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000550627461 341320017 /nfs/dbraw/zinc/32/00/17/341320017.db2.gz LSVUPVFNXIQDSV-AZUAARDMSA-N 1 3 316.489 3.761 20 0 DHADHO C[N@H+]1CC[C@H](NCCOC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000550627461 341320018 /nfs/dbraw/zinc/32/00/18/341320018.db2.gz LSVUPVFNXIQDSV-AZUAARDMSA-N 1 3 316.489 3.761 20 0 DHADHO CC1=CC[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000551309289 341337959 /nfs/dbraw/zinc/33/79/59/341337959.db2.gz QSHNEZGBCISBAY-GOSISDBHSA-N 1 3 314.473 3.748 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000551789339 341351660 /nfs/dbraw/zinc/35/16/60/341351660.db2.gz MWMNECSDKUXNBM-XYJFISCASA-N 1 3 304.478 3.999 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000551789339 341351661 /nfs/dbraw/zinc/35/16/61/341351661.db2.gz MWMNECSDKUXNBM-XYJFISCASA-N 1 3 304.478 3.999 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000551789334 341351690 /nfs/dbraw/zinc/35/16/90/341351690.db2.gz MWMNECSDKUXNBM-BQFCYCMXSA-N 1 3 304.478 3.999 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000551789334 341351691 /nfs/dbraw/zinc/35/16/91/341351691.db2.gz MWMNECSDKUXNBM-BQFCYCMXSA-N 1 3 304.478 3.999 20 0 DHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1 ZINC000246945907 341358931 /nfs/dbraw/zinc/35/89/31/341358931.db2.gz IACDKSXZFUXWNW-BZUAXINKSA-N 1 3 324.896 3.880 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2cccs2)[C@H](C)C1 ZINC000247003447 341359822 /nfs/dbraw/zinc/35/98/22/341359822.db2.gz KTXFLCRUAMRVJZ-IKGGRYGDSA-N 1 3 324.534 3.926 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2cccs2)[C@H](C)C1 ZINC000247003447 341359823 /nfs/dbraw/zinc/35/98/23/341359823.db2.gz KTXFLCRUAMRVJZ-IKGGRYGDSA-N 1 3 324.534 3.926 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)C1 ZINC000247152987 341361634 /nfs/dbraw/zinc/36/16/34/341361634.db2.gz SYNNKRAFSVSWOA-GVDBMIGSSA-N 1 3 304.478 3.509 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccccc2C)[C@@H](C)C1 ZINC000247881026 341370904 /nfs/dbraw/zinc/37/09/04/341370904.db2.gz BQOPWQRWQUTKCO-NSHGMRRFSA-N 1 3 318.505 3.783 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccccc2C)[C@@H](C)C1 ZINC000247881026 341370905 /nfs/dbraw/zinc/37/09/05/341370905.db2.gz BQOPWQRWQUTKCO-NSHGMRRFSA-N 1 3 318.505 3.783 20 0 DHADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1cccnc1 ZINC000248405909 341376707 /nfs/dbraw/zinc/37/67/07/341376707.db2.gz BIYTWZJCKHZIET-LLUDDFSJSA-N 1 3 321.468 3.643 20 0 DHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C(C4CC4)C4CC4)[C@H]3C2)cc1 ZINC000248417123 341377268 /nfs/dbraw/zinc/37/72/68/341377268.db2.gz QUKNDIITXQNBDG-UFYCRDLUSA-N 1 3 310.485 3.675 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000249383605 341396837 /nfs/dbraw/zinc/39/68/37/341396837.db2.gz WEGJPOKDVHOVIV-WFASDCNBSA-N 1 3 310.894 3.808 20 0 DHADHO C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1cccc(Cl)c1 ZINC000249465952 341397981 /nfs/dbraw/zinc/39/79/81/341397981.db2.gz GQFLJFAEAUQQBY-HFTRVMKXSA-N 1 3 306.881 3.860 20 0 DHADHO C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1cccc(Cl)c1 ZINC000249465952 341397982 /nfs/dbraw/zinc/39/79/82/341397982.db2.gz GQFLJFAEAUQQBY-HFTRVMKXSA-N 1 3 306.881 3.860 20 0 DHADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000089214943 341402719 /nfs/dbraw/zinc/40/27/19/341402719.db2.gz ZOQMDAAYIBXNFZ-INIZCTEOSA-N 1 3 301.478 3.856 20 0 DHADHO CC[NH+]1CCC(CCN[C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000091729218 341427895 /nfs/dbraw/zinc/42/78/95/341427895.db2.gz IAZIBRJZFXGOHK-CQSZACIVSA-N 1 3 321.534 3.795 20 0 DHADHO C[C@H]1C[C@@H](NCc2ccc(C[NH3+])cc2)c2ccsc2S1 ZINC000564988391 341514557 /nfs/dbraw/zinc/51/45/57/341514557.db2.gz IJSIGFNGGOVMHI-XHDPSFHLSA-N 1 3 304.484 3.922 20 0 DHADHO CC1(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000566654529 341564365 /nfs/dbraw/zinc/56/43/65/341564365.db2.gz UZFRJHVDAVVHNP-UHFFFAOYSA-N 1 3 306.881 3.942 20 0 DHADHO CC(C)OC[C@H](C)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000337348218 519773134 /nfs/dbraw/zinc/77/31/34/519773134.db2.gz YTMIBTFGNVCNGE-SFHVURJKSA-N 1 3 318.505 3.822 20 0 DHADHO CC[NH+]1CCC(N[C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000159328973 521581434 /nfs/dbraw/zinc/58/14/34/521581434.db2.gz MPIVJRKHPSWLSC-MRXNPFEDSA-N 1 3 309.457 3.884 20 0 DHADHO C[N@@H+]1CCC[C@@]2(CCN(Cc3csc4ccccc34)C2)C1 ZINC000339440412 523838476 /nfs/dbraw/zinc/83/84/76/523838476.db2.gz XLGVFSONFSKRCC-GOSISDBHSA-N 1 3 300.471 3.819 20 0 DHADHO C[N@H+]1CCC[C@@]2(CCN(Cc3csc4ccccc34)C2)C1 ZINC000339440412 523838480 /nfs/dbraw/zinc/83/84/80/523838480.db2.gz XLGVFSONFSKRCC-GOSISDBHSA-N 1 3 300.471 3.819 20 0 DHADHO C[C@H](NCc1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000131738210 525442440 /nfs/dbraw/zinc/44/24/40/525442440.db2.gz UCGFSDYSRRQZPZ-HNNXBMFYSA-N 1 3 316.420 3.617 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2cccnc2)cc1 ZINC000157869014 525567036 /nfs/dbraw/zinc/56/70/36/525567036.db2.gz UFJSVOXGQSNXHN-GQIGUUNPSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2cccnc2)cc1 ZINC000157869014 525567040 /nfs/dbraw/zinc/56/70/40/525567040.db2.gz UFJSVOXGQSNXHN-GQIGUUNPSA-N 1 3 309.457 3.882 20 0 DHADHO Cc1ccncc1CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000339415996 525741929 /nfs/dbraw/zinc/74/19/29/525741929.db2.gz YGTJJPQOXWGQMZ-CTNGQTDRSA-N 1 3 323.484 3.562 20 0 DHADHO Cc1ccoc1C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000266173613 525804568 /nfs/dbraw/zinc/80/45/68/525804568.db2.gz CYEBBIBKZDNGDO-UHFFFAOYSA-N 1 3 304.459 3.651 20 0 DHADHO C[C@@H](c1ccc(OC(F)F)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000265975305 526059834 /nfs/dbraw/zinc/05/98/34/526059834.db2.gz LSLUUAUDTJBPFV-KBPBESRZSA-N 1 3 312.404 3.623 20 0 DHADHO C[C@@H](c1ccc(OC(F)F)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265975305 526059845 /nfs/dbraw/zinc/05/98/45/526059845.db2.gz LSLUUAUDTJBPFV-KBPBESRZSA-N 1 3 312.404 3.623 20 0 DHADHO C[C@@H](c1nc2ccccc2o1)N1CCC(CCC[NH+](C)C)CC1 ZINC000181210762 526172452 /nfs/dbraw/zinc/17/24/52/526172452.db2.gz YUCGYTSVGGQVRT-HNNXBMFYSA-N 1 3 315.461 3.943 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000284586510 534947297 /nfs/dbraw/zinc/94/72/97/534947297.db2.gz ZMFORDMIVSEAQW-XAMWDVODSA-N 1 3 316.489 3.509 20 0 DHADHO C[NH+](C)CCOc1ccc(CNCc2ccc3occc3c2)cc1 ZINC000285518725 535906184 /nfs/dbraw/zinc/90/61/84/535906184.db2.gz ROOOJDNTFOUVIB-UHFFFAOYSA-N 1 3 324.424 3.663 20 0 DHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1Cc2ccccc2C1 ZINC001209322542 1013164921 /nfs/dbraw/zinc/16/49/21/1013164921.db2.gz MVAFEIRDYXDCNV-LEWJYISDSA-N 1 3 312.501 3.740 20 0 DHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1Cc2ccccc2C1 ZINC001209322542 1013164930 /nfs/dbraw/zinc/16/49/30/1013164930.db2.gz MVAFEIRDYXDCNV-LEWJYISDSA-N 1 3 312.501 3.740 20 0 DHADHO C[NH2+]CCC1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000262012739 1013331238 /nfs/dbraw/zinc/33/12/38/1013331238.db2.gz UUJAAOQGSFEIMD-UHFFFAOYSA-N 1 3 317.864 3.710 20 0 DHADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423280415 1027491801 /nfs/dbraw/zinc/49/18/01/1027491801.db2.gz UCUZGSNBWCXSLS-FZMZJTMJSA-N 1 3 302.434 3.678 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NC2(c3ccc(Br)cc3)CCC2)C1 ZINC000569000457 1014467326 /nfs/dbraw/zinc/46/73/26/1014467326.db2.gz JCVSJUJHRSIJLO-LSDHHAIUSA-N 1 3 323.278 3.688 20 0 DHADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168012022 1014603976 /nfs/dbraw/zinc/60/39/76/1014603976.db2.gz UWUQWTUFUCPOPL-XEMDLRDOSA-N 1 3 324.468 3.923 20 0 DHADHO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000581269459 1014666238 /nfs/dbraw/zinc/66/62/38/1014666238.db2.gz PSWVOHXQOVIWLS-OUUBHVDSSA-N 1 3 316.464 3.767 20 0 DHADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000665281074 1014667036 /nfs/dbraw/zinc/66/70/36/1014667036.db2.gz TZJNMAUHMOGNIH-SMDDNHRTSA-N 1 3 304.356 3.609 20 0 DHADHO CO[C@H]1CCCC[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000442807410 1014734442 /nfs/dbraw/zinc/73/44/42/1014734442.db2.gz DWZHABNFNLEAPG-LULLPPNCSA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442830325 1014746189 /nfs/dbraw/zinc/74/61/89/1014746189.db2.gz YEAFAOBWZZTHIC-QQFBHYJXSA-N 1 3 302.453 3.768 20 0 DHADHO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c2ccccc12 ZINC000092043664 1014805614 /nfs/dbraw/zinc/80/56/14/1014805614.db2.gz CCEBBDNPPDKOID-PXNSSMCTSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c2ccccc12 ZINC000092043664 1014805628 /nfs/dbraw/zinc/80/56/28/1014805628.db2.gz CCEBBDNPPDKOID-PXNSSMCTSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc12 ZINC000092043664 1014805636 /nfs/dbraw/zinc/80/56/36/1014805636.db2.gz CCEBBDNPPDKOID-PXNSSMCTSA-N 1 3 324.468 3.765 20 0 DHADHO COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc12 ZINC000092043664 1014805647 /nfs/dbraw/zinc/80/56/47/1014805647.db2.gz CCEBBDNPPDKOID-PXNSSMCTSA-N 1 3 324.468 3.765 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000166355384 1014974750 /nfs/dbraw/zinc/97/47/50/1014974750.db2.gz HXMLTLQNOPCATC-FTRWYGJKSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000166355384 1014974756 /nfs/dbraw/zinc/97/47/56/1014974756.db2.gz HXMLTLQNOPCATC-FTRWYGJKSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@@H](CC[NH2+][C@@H](c1cccnc1)C1CCC1)N1CCCCC1 ZINC000280852995 1014979009 /nfs/dbraw/zinc/97/90/09/1014979009.db2.gz MSZCHILJYSQCKM-QFBILLFUSA-N 1 3 301.478 3.777 20 0 DHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000656683701 1015071238 /nfs/dbraw/zinc/07/12/38/1015071238.db2.gz OUUKXWQTXZXLOZ-KRWDZBQOSA-N 1 3 309.457 3.644 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC1(N)CCCC1 ZINC000656788783 1015163256 /nfs/dbraw/zinc/16/32/56/1015163256.db2.gz CGIXJFHWUVALCE-LLVKDONJSA-N 1 3 301.261 3.786 20 0 DHADHO CCC1([NH+]2CCCC2)CCN(CC2CCC(OC)CC2)CC1 ZINC000895739727 1015281035 /nfs/dbraw/zinc/28/10/35/1015281035.db2.gz HZLHIJFEVICJIQ-UHFFFAOYSA-N 1 3 308.510 3.532 20 0 DHADHO N[C@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21)C1CC1 ZINC000581801577 1015337359 /nfs/dbraw/zinc/33/73/59/1015337359.db2.gz QKKQLRYPHQISRW-HUUCEWRRSA-N 1 3 313.470 3.514 20 0 DHADHO CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1OC ZINC000341435414 1015373472 /nfs/dbraw/zinc/37/34/72/1015373472.db2.gz RGFJHPZQFJQGPG-RDJZCZTQSA-N 1 3 320.477 3.619 20 0 DHADHO CC1([NH+]2CCCC2)CCC(NCc2cnc3ccccc3n2)CC1 ZINC000896390839 1015569443 /nfs/dbraw/zinc/56/94/43/1015569443.db2.gz HTEHQTOTLIYYMZ-UHFFFAOYSA-N 1 3 324.472 3.517 20 0 DHADHO CC(C)CN1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657303524 1016257739 /nfs/dbraw/zinc/25/77/39/1016257739.db2.gz BHBRQKVISMYWBJ-UHFFFAOYSA-N 1 3 303.475 3.506 20 0 DHADHO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000281295279 1016454972 /nfs/dbraw/zinc/45/49/72/1016454972.db2.gz QSMLNDJXLDLBQY-ZWKOTPCHSA-N 1 3 303.494 3.736 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)C1 ZINC000281380583 1016482421 /nfs/dbraw/zinc/48/24/21/1016482421.db2.gz XFEXTOCPBQFEMX-QYZOEREBSA-N 1 3 315.505 3.738 20 0 DHADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346676832 1016507163 /nfs/dbraw/zinc/50/71/63/1016507163.db2.gz KSTJGBZZCOODKF-GXTWGEPZSA-N 1 3 304.434 3.723 20 0 DHADHO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000347214891 1016793318 /nfs/dbraw/zinc/79/33/18/1016793318.db2.gz QQUHLTLAISEPMD-GFCCVEGCSA-N 1 3 306.862 3.849 20 0 DHADHO CCN(CC)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623356913 1016985658 /nfs/dbraw/zinc/98/56/58/1016985658.db2.gz OKYZEXIUIDCTDV-DLBZAZTESA-N 1 3 323.550 3.593 20 0 DHADHO CCN(CC)[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623356913 1016985669 /nfs/dbraw/zinc/98/56/69/1016985669.db2.gz OKYZEXIUIDCTDV-DLBZAZTESA-N 1 3 323.550 3.593 20 0 DHADHO CC[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Oc1cccc(C)c1 ZINC000623440718 1017051547 /nfs/dbraw/zinc/05/15/47/1017051547.db2.gz HRMJJCKPXKVKBU-DLBZAZTESA-N 1 3 304.478 3.615 20 0 DHADHO CC[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Oc1cccc(C)c1 ZINC000623440718 1017051553 /nfs/dbraw/zinc/05/15/53/1017051553.db2.gz HRMJJCKPXKVKBU-DLBZAZTESA-N 1 3 304.478 3.615 20 0 DHADHO CN1CC[C@@H]([NH2+]Cc2ccccc2N2CCCCC2)CC1(C)C ZINC000623486969 1017067470 /nfs/dbraw/zinc/06/74/70/1017067470.db2.gz OSGALIBHJFPATH-GOSISDBHSA-N 1 3 315.505 3.639 20 0 DHADHO CC(C)COc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000121212629 1032428105 /nfs/dbraw/zinc/42/81/05/1032428105.db2.gz GTILOLXTCHHOQS-IRXDYDNUSA-N 1 3 304.478 3.714 20 0 DHADHO CC(C)COc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000121212629 1032428108 /nfs/dbraw/zinc/42/81/08/1032428108.db2.gz GTILOLXTCHHOQS-IRXDYDNUSA-N 1 3 304.478 3.714 20 0 DHADHO COc1ccc2cc([C@@H](C)NC[C@@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000121216442 1032430271 /nfs/dbraw/zinc/43/02/71/1032430271.db2.gz KKZFOSXLKDZUCE-CVEARBPZSA-N 1 3 312.457 3.841 20 0 DHADHO COc1ccc2cc([C@@H](C)NC[C@@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000121216442 1032430274 /nfs/dbraw/zinc/43/02/74/1032430274.db2.gz KKZFOSXLKDZUCE-CVEARBPZSA-N 1 3 312.457 3.841 20 0 DHADHO CN(Cc1cnc(-c2ccsc2)s1)CC1CC[NH+](C)CC1 ZINC000093088953 1032522680 /nfs/dbraw/zinc/52/26/80/1032522680.db2.gz RDPBDWDUZRRYDU-UHFFFAOYSA-N 1 3 321.515 3.645 20 0 DHADHO CN(CCCOc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000579692936 1011940531 /nfs/dbraw/zinc/94/05/31/1011940531.db2.gz HBKJTUBJTFFNJM-SJPCQFCGSA-N 1 3 322.880 3.666 20 0 DHADHO CN(CCCOc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000579692936 1011940544 /nfs/dbraw/zinc/94/05/44/1011940544.db2.gz HBKJTUBJTFFNJM-SJPCQFCGSA-N 1 3 322.880 3.666 20 0 DHADHO COc1ccc([C@@H](C)NCC[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000424277767 1011970242 /nfs/dbraw/zinc/97/02/42/1011970242.db2.gz AUSUIDCWWOFGKP-ZIAGYGMSSA-N 1 3 310.869 3.731 20 0 DHADHO COc1ccc([C@@H](C)NCC[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000424277767 1011970249 /nfs/dbraw/zinc/97/02/49/1011970249.db2.gz AUSUIDCWWOFGKP-ZIAGYGMSSA-N 1 3 310.869 3.731 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(OCC(F)(F)F)cc1 ZINC000424375153 1012014960 /nfs/dbraw/zinc/01/49/60/1012014960.db2.gz MLAKHGUKKDURKC-KCPJHIHWSA-N 1 3 316.367 3.548 20 0 DHADHO CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546095 1012092996 /nfs/dbraw/zinc/09/29/96/1012092996.db2.gz IFLAGHRWAHAIJI-RTBURBONSA-N 1 3 300.490 3.908 20 0 DHADHO CCN(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208618015 1012481115 /nfs/dbraw/zinc/48/11/15/1012481115.db2.gz PYWWNWMXCRVPNP-OAHLLOKOSA-N 1 3 314.395 3.869 20 0 DHADHO CCN(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208618015 1012481123 /nfs/dbraw/zinc/48/11/23/1012481123.db2.gz PYWWNWMXCRVPNP-OAHLLOKOSA-N 1 3 314.395 3.869 20 0 DHADHO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1Cl ZINC000425945895 1012990430 /nfs/dbraw/zinc/99/04/30/1012990430.db2.gz MNYKEHPCMDEADM-KGLIPLIRSA-N 1 3 312.885 3.976 20 0 DHADHO COc1cc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc2ccccc21 ZINC000925143125 1017262235 /nfs/dbraw/zinc/26/22/35/1017262235.db2.gz QMGNHOKWLDEIFD-RLFYNMQTSA-N 1 3 312.457 3.982 20 0 DHADHO COc1cc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc2ccccc21 ZINC000925143125 1017262244 /nfs/dbraw/zinc/26/22/44/1017262244.db2.gz QMGNHOKWLDEIFD-RLFYNMQTSA-N 1 3 312.457 3.982 20 0 DHADHO FC1(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000716655860 1032698699 /nfs/dbraw/zinc/69/86/99/1032698699.db2.gz OSZIYIKSVLUOFG-FHWLQOOXSA-N 1 3 316.464 3.911 20 0 DHADHO CCSCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716680881 1032702045 /nfs/dbraw/zinc/70/20/45/1032702045.db2.gz IAOGVIOPWJAHKU-OTWHNJEPSA-N 1 3 318.530 3.772 20 0 DHADHO CC(F)(F)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716677567 1032702495 /nfs/dbraw/zinc/70/24/95/1032702495.db2.gz GDJMVPFBBZGUED-BBWFWOEESA-N 1 3 308.416 3.674 20 0 DHADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(SC)cc2)CC1 ZINC000173374836 1032702711 /nfs/dbraw/zinc/70/27/11/1032702711.db2.gz LZKUGQZDAOSOCQ-OAHLLOKOSA-N 1 3 322.518 3.560 20 0 DHADHO CC(F)(F)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716677568 1032703510 /nfs/dbraw/zinc/70/35/10/1032703510.db2.gz GDJMVPFBBZGUED-ULQDDVLXSA-N 1 3 308.416 3.674 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2C(F)(F)F)C1 ZINC000623867163 1017557351 /nfs/dbraw/zinc/55/73/51/1017557351.db2.gz SAOVKKFJKURKPX-NWDGAFQWSA-N 1 3 318.358 3.837 20 0 DHADHO CC[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613145 1017574303 /nfs/dbraw/zinc/57/43/03/1017574303.db2.gz WRMMIOKKXIIOCZ-XLIONFOSSA-N 1 3 315.505 3.852 20 0 DHADHO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120732 1017691686 /nfs/dbraw/zinc/69/16/86/1017691686.db2.gz FTQJGLOAAIROID-HIFRSBDPSA-N 1 3 309.523 3.957 20 0 DHADHO COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CCCCN(C)C3)oc21 ZINC000624122062 1017695637 /nfs/dbraw/zinc/69/56/37/1017695637.db2.gz IXYMSWZUOALDIU-HUUCEWRRSA-N 1 3 316.445 3.824 20 0 DHADHO CCO[C@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C12CCC2 ZINC000181626339 1017776195 /nfs/dbraw/zinc/77/61/95/1017776195.db2.gz XRUYRWJBPGIVPL-OALUTQOASA-N 1 3 320.521 3.578 20 0 DHADHO CCO[C@H]1C[C@H](NC2CC[NH+](CC3CCCC3)CC2)C12CCC2 ZINC000181626339 1017776210 /nfs/dbraw/zinc/77/62/10/1017776210.db2.gz XRUYRWJBPGIVPL-OALUTQOASA-N 1 3 320.521 3.578 20 0 DHADHO CC(C)Oc1cccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000523863065 1017810854 /nfs/dbraw/zinc/81/08/54/1017810854.db2.gz IGCVXYCKORATGB-SFHVURJKSA-N 1 3 306.494 3.930 20 0 DHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccccc2C2CC2)C[C@H](C)O1 ZINC000674334584 1017954106 /nfs/dbraw/zinc/95/41/06/1017954106.db2.gz YIUGXDXFUFXOLX-IRXDYDNUSA-N 1 3 316.489 3.543 20 0 DHADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(CO)c1 ZINC000183216355 1018002213 /nfs/dbraw/zinc/00/22/13/1018002213.db2.gz AXCDMHIKFXASNE-KRWDZBQOSA-N 1 3 324.468 3.626 20 0 DHADHO C[C@H](c1ccccc1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245386851 1018148687 /nfs/dbraw/zinc/14/86/87/1018148687.db2.gz RAJDYECEYIHHTQ-FGTMMUONSA-N 1 3 316.489 3.569 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cc(Br)cs1 ZINC000194034549 1018172518 /nfs/dbraw/zinc/17/25/18/1018172518.db2.gz CEIFYWWRWHVZKD-QWRGUYRKSA-N 1 3 317.296 3.503 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)cs1 ZINC000194034549 1018172522 /nfs/dbraw/zinc/17/25/22/1018172522.db2.gz CEIFYWWRWHVZKD-QWRGUYRKSA-N 1 3 317.296 3.503 20 0 DHADHO C[C@@H](CC1CCCC1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168747 1018200632 /nfs/dbraw/zinc/20/06/32/1018200632.db2.gz YJRWWXZNGYAODT-KRWDZBQOSA-N 1 3 315.505 3.852 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](COCc2ccccc2)C(C)C)C1 ZINC000446741916 1018231047 /nfs/dbraw/zinc/23/10/47/1018231047.db2.gz CRMYFERMXXKPRY-WOJBJXKFSA-N 1 3 318.505 3.549 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000446816804 1018253833 /nfs/dbraw/zinc/25/38/33/1018253833.db2.gz DYKQKPQODLPRAN-FCEWJHQRSA-N 1 3 322.468 3.756 20 0 DHADHO C[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000447822526 1018478002 /nfs/dbraw/zinc/47/80/02/1018478002.db2.gz QDDFCYQZJGPYJM-FPOVZHCZSA-N 1 3 322.496 3.944 20 0 DHADHO C[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000447822525 1018478511 /nfs/dbraw/zinc/47/85/11/1018478511.db2.gz QDDFCYQZJGPYJM-CTNGQTDRSA-N 1 3 322.496 3.944 20 0 DHADHO CC(C)N(C)CCC[NH2+]CCCc1c(F)cccc1Cl ZINC000447822224 1018478542 /nfs/dbraw/zinc/47/85/42/1018478542.db2.gz PEVNNRZDHVREBP-UHFFFAOYSA-N 1 3 300.849 3.732 20 0 DHADHO C[NH2+]Cc1ccccc1CNCc1ccc(C(F)(F)F)s1 ZINC000650720441 1018565473 /nfs/dbraw/zinc/56/54/73/1018565473.db2.gz PLZUTZSSZXCYSW-UHFFFAOYSA-N 1 3 314.376 3.776 20 0 DHADHO CCCN1CCC([NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1 ZINC000675784670 1018590605 /nfs/dbraw/zinc/59/06/05/1018590605.db2.gz PFUUOTLPYBPFIL-MOPGFXCFSA-N 1 3 320.452 3.510 20 0 DHADHO CCCCc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001168356322 1032777134 /nfs/dbraw/zinc/77/71/34/1032777134.db2.gz ONRRAMSHJLMCSY-UHFFFAOYSA-N 1 3 300.490 3.993 20 0 DHADHO COc1ccc2c(c1)nccc2NC1CC[NH+](CC2CC2)CC1 ZINC000765470416 1018798346 /nfs/dbraw/zinc/79/83/46/1018798346.db2.gz KKGUYOIASRJOAE-UHFFFAOYSA-N 1 3 311.429 3.530 20 0 DHADHO c1ccc(-c2cc(C[NH2+]C3CCN(CC4CC4)CC3)ccn2)cc1 ZINC000624267425 1018826170 /nfs/dbraw/zinc/82/61/70/1018826170.db2.gz MRRIGTXCDVENLB-UHFFFAOYSA-N 1 3 321.468 3.713 20 0 DHADHO FC1(F)CCCN(C/C=C\C[N@@H+]2CCCC(F)(F)CC2)CC1 ZINC000625770682 1018911387 /nfs/dbraw/zinc/91/13/87/1018911387.db2.gz OGTLDWMFMAWSRI-UPHRSURJSA-N 1 3 322.390 3.785 20 0 DHADHO FC1(F)CCCN(C/C=C\C[N@H+]2CCCC(F)(F)CC2)CC1 ZINC000625770682 1018911401 /nfs/dbraw/zinc/91/14/01/1018911401.db2.gz OGTLDWMFMAWSRI-UPHRSURJSA-N 1 3 322.390 3.785 20 0 DHADHO C[C@H](N)c1nc2ccccc2n1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171613438 1032799364 /nfs/dbraw/zinc/79/93/64/1032799364.db2.gz JQKYNWQDSKYQGT-ZDUSSCGKSA-N 1 3 314.477 3.880 20 0 DHADHO CN(Cc1csc(-c2ccsc2)n1)C1CCC([NH3+])CC1 ZINC000091846665 1019012806 /nfs/dbraw/zinc/01/28/06/1019012806.db2.gz DREJGTVJMPTNBG-UHFFFAOYSA-N 1 3 307.488 3.573 20 0 DHADHO CN1C(C)(C)CC([NH2+]C[C@H]2CCc3ccccc32)CC1(C)C ZINC001171627549 1032810468 /nfs/dbraw/zinc/81/04/68/1032810468.db2.gz WEGQZNCTKVOGMX-MRXNPFEDSA-N 1 3 300.490 3.957 20 0 DHADHO CC(C)CC1([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CCOCC1 ZINC001171626879 1032811160 /nfs/dbraw/zinc/81/11/60/1032811160.db2.gz FQWXAYLWZMWHNS-UHFFFAOYSA-N 1 3 310.526 3.823 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)c3cccnc23)[C@H](C)C1 ZINC000081095562 1019160267 /nfs/dbraw/zinc/16/02/67/1019160267.db2.gz ADONIFXCBBDCGD-RDTXWAMCSA-N 1 3 315.436 3.536 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c3cccnc23)[C@H](C)C1 ZINC000081095562 1019160273 /nfs/dbraw/zinc/16/02/73/1019160273.db2.gz ADONIFXCBBDCGD-RDTXWAMCSA-N 1 3 315.436 3.536 20 0 DHADHO C[NH+]1C(C)(C)CC(NCC(C)(C)c2ncccc2F)CC1(C)C ZINC001171627524 1032811378 /nfs/dbraw/zinc/81/13/78/1032811378.db2.gz UPTXCJKSERCZKJ-UHFFFAOYSA-N 1 3 321.484 3.739 20 0 DHADHO Cc1ccc(CC[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001171666321 1032824266 /nfs/dbraw/zinc/82/42/66/1032824266.db2.gz VYFLBPHMVYNEPD-SFHVURJKSA-N 1 3 309.457 3.533 20 0 DHADHO Cc1ccc(CC[C@H](C)[NH+]2CCN(c3ccncc3)CC2)cc1 ZINC001171666321 1032824278 /nfs/dbraw/zinc/82/42/78/1032824278.db2.gz VYFLBPHMVYNEPD-SFHVURJKSA-N 1 3 309.457 3.533 20 0 DHADHO Cc1cc2[nH]c(C[NH2+]C3C[C@H]4CCC[C@@H](C3)N4C)cc2c(C)c1 ZINC000143932880 1019670847 /nfs/dbraw/zinc/67/08/47/1019670847.db2.gz CLSSSOQTURVPBB-ZNXRZULTSA-N 1 3 311.473 3.890 20 0 DHADHO COCCC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(F)cc1 ZINC000282218191 1019679812 /nfs/dbraw/zinc/67/98/12/1019679812.db2.gz HUMJILOOSCFWMW-FHWLQOOXSA-N 1 3 322.468 3.756 20 0 DHADHO CCN1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000685421359 1019806239 /nfs/dbraw/zinc/80/62/39/1019806239.db2.gz VPQAZQPPUMLNGZ-KBPBESRZSA-N 1 3 314.395 3.740 20 0 DHADHO CCC[N@H+](CCCN(C)C)Cc1cc(Br)cs1 ZINC000685462727 1019842573 /nfs/dbraw/zinc/84/25/73/1019842573.db2.gz WNVJHIPVTGVOHW-UHFFFAOYSA-N 1 3 319.312 3.674 20 0 DHADHO CCC[N@@H+](CCCN(C)C)Cc1cc(Br)cs1 ZINC000685462727 1019842602 /nfs/dbraw/zinc/84/26/02/1019842602.db2.gz WNVJHIPVTGVOHW-UHFFFAOYSA-N 1 3 319.312 3.674 20 0 DHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC000708563979 1019881917 /nfs/dbraw/zinc/88/19/17/1019881917.db2.gz RBKIUFGFGQXFFC-FXAWDEMLSA-N 1 3 300.490 3.924 20 0 DHADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc2ccncc2s1 ZINC000658027919 1020089433 /nfs/dbraw/zinc/08/94/33/1020089433.db2.gz AFUHPNUHYHSBQR-PRTUASRFSA-N 1 3 301.459 3.572 20 0 DHADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2ccncc2s1 ZINC000658027919 1020089444 /nfs/dbraw/zinc/08/94/44/1020089444.db2.gz AFUHPNUHYHSBQR-PRTUASRFSA-N 1 3 301.459 3.572 20 0 DHADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166372 1020200858 /nfs/dbraw/zinc/20/08/58/1020200858.db2.gz UQXGSCURZPBZAF-MOPGFXCFSA-N 1 3 315.505 3.708 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCc2ccco2)CC1 ZINC000658326098 1020303884 /nfs/dbraw/zinc/30/38/84/1020303884.db2.gz BHNUGVLCTNZJHU-VQIMIIECSA-N 1 3 304.478 3.845 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](NCc2cc(C)ccc2C)[C@H](C)C1 ZINC000115628210 1020347314 /nfs/dbraw/zinc/34/73/14/1020347314.db2.gz FIUMCNITGRFTFH-QUCCMNQESA-N 1 3 318.505 3.530 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](NCc2cc(C)ccc2C)[C@H](C)C1 ZINC000115628210 1020347325 /nfs/dbraw/zinc/34/73/25/1020347325.db2.gz FIUMCNITGRFTFH-QUCCMNQESA-N 1 3 318.505 3.530 20 0 DHADHO CCC[C@H](C)CCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000625260525 1020434828 /nfs/dbraw/zinc/43/48/28/1020434828.db2.gz SJLVZKVERKXOHK-IBGZPJMESA-N 1 3 323.569 3.693 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc(Cl)c1Cl ZINC000158114138 1020577332 /nfs/dbraw/zinc/57/73/32/1020577332.db2.gz XQWGNXLIHYPMKV-RYUDHWBXSA-N 1 3 301.261 3.986 20 0 DHADHO CC[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858490711 1032918658 /nfs/dbraw/zinc/91/86/58/1032918658.db2.gz MKBXZBJBFXQALF-QFBILLFUSA-N 1 3 316.489 3.784 20 0 DHADHO CC[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000858490711 1032918670 /nfs/dbraw/zinc/91/86/70/1032918670.db2.gz MKBXZBJBFXQALF-QFBILLFUSA-N 1 3 316.489 3.784 20 0 DHADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2c(c1)CCCO2 ZINC000858490711 1032918686 /nfs/dbraw/zinc/91/86/86/1032918686.db2.gz MKBXZBJBFXQALF-QFBILLFUSA-N 1 3 316.489 3.784 20 0 DHADHO c1ccc(CN2CC[C@@H](C[NH2+][C@@H]3CCCc4cccnc43)C2)cc1 ZINC000310090672 1020764438 /nfs/dbraw/zinc/76/44/38/1020764438.db2.gz QWGHUECBAIYYAN-AZUAARDMSA-N 1 3 321.468 3.571 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)c(C)c1 ZINC000414058129 1020826863 /nfs/dbraw/zinc/82/68/63/1020826863.db2.gz GWBCDTUKRMVAKF-INIZCTEOSA-N 1 3 304.478 3.775 20 0 DHADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)CC2 ZINC000173232355 1020904670 /nfs/dbraw/zinc/90/46/70/1020904670.db2.gz QOINNEDKLRDMAK-SFHVURJKSA-N 1 3 302.462 3.535 20 0 DHADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000414292802 1021065241 /nfs/dbraw/zinc/06/52/41/1021065241.db2.gz VJEVIBJCEJHSLW-NXWXRZEISA-N 1 3 304.453 3.767 20 0 DHADHO Cc1cccnc1[C@@H](NCc1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC000580084758 1021114838 /nfs/dbraw/zinc/11/48/38/1021114838.db2.gz YDGDZSRQTOBNBV-IBGZPJMESA-N 1 3 309.457 3.523 20 0 DHADHO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000537964266 1032955612 /nfs/dbraw/zinc/95/56/12/1032955612.db2.gz KZTMVMMDAMHWEH-KSSFIOAISA-N 1 3 322.468 3.754 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccnn2-c2ccccc2)cc1 ZINC000423296175 1021166571 /nfs/dbraw/zinc/16/65/71/1021166571.db2.gz YOIRCXBIESNSMF-CVEARBPZSA-N 1 3 320.440 3.743 20 0 DHADHO c1ccc(CSCCCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000090550251 1021234414 /nfs/dbraw/zinc/23/44/14/1021234414.db2.gz LIGWASKHKVHXJS-LJQANCHMSA-N 1 3 318.530 3.728 20 0 DHADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(OC(F)(F)F)c1 ZINC000181911506 1021389735 /nfs/dbraw/zinc/38/97/35/1021389735.db2.gz QCRSNWUGXZSUOH-OCCSQVGLSA-N 1 3 316.367 3.720 20 0 DHADHO Cc1cc(NC[C@H](c2ccc(F)cc2)N(C)C)c2ccccc2[nH+]1 ZINC000613572453 1021413136 /nfs/dbraw/zinc/41/31/36/1021413136.db2.gz ALAJGDCYQGJFFK-HXUWFJFHSA-N 1 3 323.415 3.819 20 0 DHADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123222 1021556094 /nfs/dbraw/zinc/55/60/94/1021556094.db2.gz IFEYKCDUHCIXNB-UONOGXRCSA-N 1 3 312.860 3.732 20 0 DHADHO CN(CCc1ccccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172126497 1032991957 /nfs/dbraw/zinc/99/19/57/1032991957.db2.gz WIGWSPOJPMKUOC-FVQHAEBGSA-N 1 3 306.881 3.830 20 0 DHADHO CN(CCc1ccccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172126497 1032991972 /nfs/dbraw/zinc/99/19/72/1032991972.db2.gz WIGWSPOJPMKUOC-FVQHAEBGSA-N 1 3 306.881 3.830 20 0 DHADHO CC[N@H+](CCCN(C)C)Cc1ccnc2c(Cl)cccc12 ZINC001237153497 1021736835 /nfs/dbraw/zinc/73/68/35/1021736835.db2.gz JPIWOIGOPXGVOV-UHFFFAOYSA-N 1 3 305.853 3.662 20 0 DHADHO CC[N@@H+](CCCN(C)C)Cc1ccnc2c(Cl)cccc12 ZINC001237153497 1021736845 /nfs/dbraw/zinc/73/68/45/1021736845.db2.gz JPIWOIGOPXGVOV-UHFFFAOYSA-N 1 3 305.853 3.662 20 0 DHADHO Cc1ccccc1C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C1CC1 ZINC000556584284 1021782399 /nfs/dbraw/zinc/78/23/99/1021782399.db2.gz SVDCZAXZPUAHAV-ZCNNSNEGSA-N 1 3 300.490 3.779 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccc(Cl)cn1)C1CC1)C2 ZINC001172110842 1033011869 /nfs/dbraw/zinc/01/18/69/1033011869.db2.gz PXMGCRHGMPHIQX-XLMAVXFVSA-N 1 3 319.880 3.791 20 0 DHADHO COc1cccc([C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001172108906 1033012143 /nfs/dbraw/zinc/01/21/43/1033012143.db2.gz FNRTUZYDPGJERO-FTEYMNFISA-N 1 3 314.473 3.751 20 0 DHADHO COc1cccc([C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001172108906 1033012153 /nfs/dbraw/zinc/01/21/53/1033012153.db2.gz FNRTUZYDPGJERO-FTEYMNFISA-N 1 3 314.473 3.751 20 0 DHADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccccc1C(F)(F)F ZINC000538244211 1033014358 /nfs/dbraw/zinc/01/43/58/1033014358.db2.gz HZKUVROAVTWVHM-OLZOCXBDSA-N 1 3 300.368 3.840 20 0 DHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)c1cc(Cl)ccn1)C2 ZINC001172113246 1033016694 /nfs/dbraw/zinc/01/66/94/1033016694.db2.gz HUNPBSUHBYOMFV-QKDCVEJESA-N 1 3 307.869 3.575 20 0 DHADHO Cc1ccc2cccc(CN[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2n1 ZINC001172115009 1033017697 /nfs/dbraw/zinc/01/76/97/1033017697.db2.gz TWURHKGXQOAKRY-LDLYASANSA-N 1 3 309.457 3.648 20 0 DHADHO Cc1ccc2cccc(CN[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2n1 ZINC001172115009 1033017708 /nfs/dbraw/zinc/01/77/08/1033017708.db2.gz TWURHKGXQOAKRY-LDLYASANSA-N 1 3 309.457 3.648 20 0 DHADHO CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(OC)c1 ZINC001172113375 1033020495 /nfs/dbraw/zinc/02/04/95/1033020495.db2.gz COYSHZBSNDMMMQ-VXIBKDFQSA-N 1 3 302.462 3.751 20 0 DHADHO CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(OC)c1 ZINC001172113375 1033020512 /nfs/dbraw/zinc/02/05/12/1033020512.db2.gz COYSHZBSNDMMMQ-VXIBKDFQSA-N 1 3 302.462 3.751 20 0 DHADHO C[C@H](c1ccccn1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619970208 1021990870 /nfs/dbraw/zinc/99/08/70/1021990870.db2.gz ZZKSXBQTBGEABO-QGZVFWFLSA-N 1 3 301.478 3.731 20 0 DHADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000925525776 1022183224 /nfs/dbraw/zinc/18/32/24/1022183224.db2.gz FBZXIDOJPNMJNM-IFOPZJACSA-N 1 3 318.427 3.721 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C2 ZINC001169101310 1022246571 /nfs/dbraw/zinc/24/65/71/1022246571.db2.gz RBOXVOIROXSBKY-FCGDIQPGSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)C2 ZINC001169101310 1022246584 /nfs/dbraw/zinc/24/65/84/1022246584.db2.gz RBOXVOIROXSBKY-FCGDIQPGSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](c1cccc(F)c1)C1CCC1)C2 ZINC001169101305 1022248020 /nfs/dbraw/zinc/24/80/20/1022248020.db2.gz RAIKZWQIFGYREG-AKHDSKFASA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](c1cccc(F)c1)C1CCC1)C2 ZINC001169101305 1022248025 /nfs/dbraw/zinc/24/80/25/1022248025.db2.gz RAIKZWQIFGYREG-AKHDSKFASA-N 1 3 302.437 3.882 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCCc3c(F)cc(F)cc31)C2 ZINC001169125311 1022262161 /nfs/dbraw/zinc/26/21/61/1022262161.db2.gz YSUGAISKEZYFIX-FLTUCWPJSA-N 1 3 306.400 3.557 20 0 DHADHO CC[NH+]1CCC(NCc2cccc(-c3cccs3)c2)CC1 ZINC001169230156 1022312786 /nfs/dbraw/zinc/31/27/86/1022312786.db2.gz UJJUHCAGWLMEHG-UHFFFAOYSA-N 1 3 300.471 3.989 20 0 DHADHO C[C@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654936 1022383858 /nfs/dbraw/zinc/38/38/58/1022383858.db2.gz KBGVSQAKSZSJHO-RDJZCZTQSA-N 1 3 306.881 3.648 20 0 DHADHO C[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695654936 1022383874 /nfs/dbraw/zinc/38/38/74/1022383874.db2.gz KBGVSQAKSZSJHO-RDJZCZTQSA-N 1 3 306.881 3.648 20 0 DHADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000854229950 1022436134 /nfs/dbraw/zinc/43/61/34/1022436134.db2.gz BHMGXOBRPVIMDZ-NOZJJQNGSA-N 1 3 304.265 3.600 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2cccs2)[C@@H](C)C1 ZINC000156362703 1022457410 /nfs/dbraw/zinc/45/74/10/1022457410.db2.gz KTXFLCRUAMRVJZ-BBWFWOEESA-N 1 3 324.534 3.926 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2cccs2)[C@@H](C)C1 ZINC000156362703 1022457416 /nfs/dbraw/zinc/45/74/16/1022457416.db2.gz KTXFLCRUAMRVJZ-BBWFWOEESA-N 1 3 324.534 3.926 20 0 DHADHO C[C@@H]([NH2+]Cc1cccs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272164254 1022494067 /nfs/dbraw/zinc/49/40/67/1022494067.db2.gz GOBFDQXVRCJEDD-NVXWUHKLSA-N 1 3 300.471 3.748 20 0 DHADHO C[C@@H](NCc1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272164254 1022494070 /nfs/dbraw/zinc/49/40/70/1022494070.db2.gz GOBFDQXVRCJEDD-NVXWUHKLSA-N 1 3 300.471 3.748 20 0 DHADHO C[C@@H](NCc1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272164254 1022494076 /nfs/dbraw/zinc/49/40/76/1022494076.db2.gz GOBFDQXVRCJEDD-NVXWUHKLSA-N 1 3 300.471 3.748 20 0 DHADHO CCC[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000132736708 1033058550 /nfs/dbraw/zinc/05/85/50/1033058550.db2.gz NPRBYBWPIHNJJH-XLIONFOSSA-N 1 3 316.489 3.618 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1cncs1 ZINC000272366963 1022499110 /nfs/dbraw/zinc/49/91/10/1022499110.db2.gz TXQQDGNRAKWJAY-ZOBUZTSGSA-N 1 3 315.486 3.704 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274865535 1022577342 /nfs/dbraw/zinc/57/73/42/1022577342.db2.gz DTDJXOCQCRQDKB-QKLQHJQFSA-N 1 3 324.468 3.953 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc(Cl)c1Cl ZINC000158114590 1022603314 /nfs/dbraw/zinc/60/33/14/1022603314.db2.gz XQWGNXLIHYPMKV-VXGBXAGGSA-N 1 3 301.261 3.986 20 0 DHADHO Cc1ccccc1SC[C@@H](C)C[NH+]1CCC(N(C)C)CC1 ZINC000859072852 1033061806 /nfs/dbraw/zinc/06/18/06/1033061806.db2.gz AZBTZEWWHGCXMJ-HNNXBMFYSA-N 1 3 306.519 3.749 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc(Cl)ccc1OC ZINC000158124209 1022605457 /nfs/dbraw/zinc/60/54/57/1022605457.db2.gz BJQMHVIENMWCLG-CJNGLKHVSA-N 1 3 310.869 3.731 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417318969 1022680250 /nfs/dbraw/zinc/68/02/50/1022680250.db2.gz ZXBUSVXVFPWYAC-LTIDMASMSA-N 1 3 306.519 3.950 20 0 DHADHO CO[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)C1CCCCC1 ZINC000660256403 1022822573 /nfs/dbraw/zinc/82/25/73/1022822573.db2.gz LUKLUUMDBYMTSA-IMFGXOCKSA-N 1 3 322.537 3.824 20 0 DHADHO CO[C@H](CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CCCCC1 ZINC000660256403 1022822588 /nfs/dbraw/zinc/82/25/88/1022822588.db2.gz LUKLUUMDBYMTSA-IMFGXOCKSA-N 1 3 322.537 3.824 20 0 DHADHO CO[C@H](CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CCCCC1 ZINC000660256403 1022822603 /nfs/dbraw/zinc/82/26/03/1022822603.db2.gz LUKLUUMDBYMTSA-IMFGXOCKSA-N 1 3 322.537 3.824 20 0 DHADHO CCCCn1cc(CN[C@H](CCC[NH3+])c2ccccc2)c(C)n1 ZINC000925628658 1022893845 /nfs/dbraw/zinc/89/38/45/1022893845.db2.gz FVKISESHEAAWHX-LJQANCHMSA-N 1 3 314.477 3.561 20 0 DHADHO CCOc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768163386 1022908683 /nfs/dbraw/zinc/90/86/83/1022908683.db2.gz OKJCZDZHSYNTLK-UHFFFAOYSA-N 1 3 312.457 3.779 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000163313570 1022908644 /nfs/dbraw/zinc/90/86/44/1022908644.db2.gz FOEZZVBTIWXZTK-IAQYHMDHSA-N 1 3 313.272 3.912 20 0 DHADHO COc1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414911114 1022911011 /nfs/dbraw/zinc/91/10/11/1022911011.db2.gz DLKZFBSOZWPARW-MSOLQXFVSA-N 1 3 310.441 3.722 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](NCc2c(OC(F)F)ccc3ccccc32)C1 ZINC000414926234 1022921303 /nfs/dbraw/zinc/92/13/03/1022921303.db2.gz NBFVELXTATWWBO-KGLIPLIRSA-N 1 3 320.383 3.801 20 0 DHADHO CCCCOc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000414933072 1022940448 /nfs/dbraw/zinc/94/04/48/1022940448.db2.gz WMAGTOFULHWBHZ-IRXDYDNUSA-N 1 3 320.477 3.624 20 0 DHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000165315659 1022977755 /nfs/dbraw/zinc/97/77/55/1022977755.db2.gz QRKBBQMJJLUEDA-GVDBMIGSSA-N 1 3 304.478 3.509 20 0 DHADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c(OCC2CC2)c1 ZINC000166911079 1023027392 /nfs/dbraw/zinc/02/73/92/1023027392.db2.gz CADMETYUEMMQFU-TXPKVOOTSA-N 1 3 316.489 3.602 20 0 DHADHO CCc1nc2c(s1)[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)CCC2 ZINC000089513184 1023087867 /nfs/dbraw/zinc/08/78/67/1023087867.db2.gz XHCBKWGBTLWMRP-CQSZACIVSA-N 1 3 321.534 3.935 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000769870590 1023233985 /nfs/dbraw/zinc/23/39/85/1023233985.db2.gz ARPYWVKZAGBZPH-GJZGRUSLSA-N 1 3 307.482 3.851 20 0 DHADHO CCc1noc(C)c1[C@H](C)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000769870590 1023233993 /nfs/dbraw/zinc/23/39/93/1023233993.db2.gz ARPYWVKZAGBZPH-GJZGRUSLSA-N 1 3 307.482 3.851 20 0 DHADHO COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000194884164 1023326037 /nfs/dbraw/zinc/32/60/37/1023326037.db2.gz NDSAYEIRUVEZPM-QFBILLFUSA-N 1 3 316.489 3.783 20 0 DHADHO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925719207 1023415952 /nfs/dbraw/zinc/41/59/52/1023415952.db2.gz MBNJJBLKFYMXPC-LSDHHAIUSA-N 1 3 302.453 3.816 20 0 DHADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc3c(F)cccc3c2)C[C@H]1C ZINC000876757763 1033134082 /nfs/dbraw/zinc/13/40/82/1033134082.db2.gz FUAPYYZSTIBILF-RHSMWYFYSA-N 1 3 315.436 3.679 20 0 DHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc3c(F)cccc3c2)C[C@H]1C ZINC000876757763 1033134086 /nfs/dbraw/zinc/13/40/86/1033134086.db2.gz FUAPYYZSTIBILF-RHSMWYFYSA-N 1 3 315.436 3.679 20 0 DHADHO CC(C)N1CCN(CCC[N@@H+]2CCC(C)(C)CC(C)(C)C2)CC1 ZINC000661628280 1023664834 /nfs/dbraw/zinc/66/48/34/1023664834.db2.gz UTXNGCKKMZZANN-UHFFFAOYSA-N 1 3 323.569 3.551 20 0 DHADHO CC(C)N1CCN(CCC[N@H+]2CCC(C)(C)CC(C)(C)C2)CC1 ZINC000661628280 1023664837 /nfs/dbraw/zinc/66/48/37/1023664837.db2.gz UTXNGCKKMZZANN-UHFFFAOYSA-N 1 3 323.569 3.551 20 0 DHADHO C[N@@H+]1CCC[C@H](CN[C@H](c2cccnc2)C2CCCCC2)C1 ZINC000652150852 1023680625 /nfs/dbraw/zinc/68/06/25/1023680625.db2.gz BCVOISUYHSSDAZ-APWZRJJASA-N 1 3 301.478 3.634 20 0 DHADHO C[N@H+]1CCC[C@H](CN[C@H](c2cccnc2)C2CCCCC2)C1 ZINC000652150852 1023680628 /nfs/dbraw/zinc/68/06/28/1023680628.db2.gz BCVOISUYHSSDAZ-APWZRJJASA-N 1 3 301.478 3.634 20 0 DHADHO C[N@@H+]1CCC[C@@H](CN[C@H](c2cccnc2)C2CCCCC2)C1 ZINC000652150853 1023680989 /nfs/dbraw/zinc/68/09/89/1023680989.db2.gz BCVOISUYHSSDAZ-LPHOPBHVSA-N 1 3 301.478 3.634 20 0 DHADHO C[N@H+]1CCC[C@@H](CN[C@H](c2cccnc2)C2CCCCC2)C1 ZINC000652150853 1023680992 /nfs/dbraw/zinc/68/09/92/1023680992.db2.gz BCVOISUYHSSDAZ-LPHOPBHVSA-N 1 3 301.478 3.634 20 0 DHADHO CC(C)c1ccc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)n1 ZINC001206035167 1023843585 /nfs/dbraw/zinc/84/35/85/1023843585.db2.gz BWPLNCLZHMBJHH-UONOGXRCSA-N 1 3 309.885 3.665 20 0 DHADHO CC[C@H](CC(C)C)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001172395228 1033179364 /nfs/dbraw/zinc/17/93/64/1033179364.db2.gz JUVIPYPPBJBPCQ-CABCVRRESA-N 1 3 313.283 3.863 20 0 DHADHO Cc1cccnc1[C@H](NCc1cccc2c1CC[NH2+]C2)C(C)C ZINC000662265056 1024040870 /nfs/dbraw/zinc/04/08/70/1024040870.db2.gz UMGJMFMMFNGEFL-LJQANCHMSA-N 1 3 309.457 3.523 20 0 DHADHO CC[C@H](CC(C)C)[NH+]1CCC(N)(Cc2cccc(F)c2)CC1 ZINC001172398493 1033183707 /nfs/dbraw/zinc/18/37/07/1033183707.db2.gz GUPVIJJLAFMBIB-GOSISDBHSA-N 1 3 306.469 3.986 20 0 DHADHO [NH3+]C[C@@H](NCCSc1ccc(F)cc1F)C1CCCCC1 ZINC000662276326 1024060651 /nfs/dbraw/zinc/06/06/51/1024060651.db2.gz HHTAQBXXLBODFB-OAHLLOKOSA-N 1 3 314.445 3.554 20 0 DHADHO C[C@H](c1ccc(F)cc1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297409 1024081047 /nfs/dbraw/zinc/08/10/47/1024081047.db2.gz PILWDCNAOSYJFL-UKRRQHHQSA-N 1 3 308.416 3.737 20 0 DHADHO C[C@@H](c1ccc(F)cc1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297410 1024081238 /nfs/dbraw/zinc/08/12/38/1024081238.db2.gz PILWDCNAOSYJFL-ZFWWWQNUSA-N 1 3 308.416 3.737 20 0 DHADHO CC(C)[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccccc1F ZINC000662301865 1024085809 /nfs/dbraw/zinc/08/58/09/1024085809.db2.gz HMOCJOPWDULKOG-FQEVSTJZSA-N 1 3 312.432 3.958 20 0 DHADHO Fc1ccc(NC2CC[NH+](CCCN3CCCCC3)CC2)cc1 ZINC000161755723 1024107271 /nfs/dbraw/zinc/10/72/71/1024107271.db2.gz MGNXUFKMGNKWEL-UHFFFAOYSA-N 1 3 319.468 3.578 20 0 DHADHO Cc1cc(C)c([C@@H](C)N2CCO[C@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000662325127 1024107505 /nfs/dbraw/zinc/10/75/05/1024107505.db2.gz IILWBYDLQJUJFE-RTBURBONSA-N 1 3 318.505 3.715 20 0 DHADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)COC2 ZINC000268744454 1024150153 /nfs/dbraw/zinc/15/01/53/1024150153.db2.gz GYENJMFETFVRLI-OAHLLOKOSA-N 1 3 310.441 3.629 20 0 DHADHO C[C@@H](CCCc1cccnc1)[NH2+]CCCN1CCCC[C@H]1C ZINC000453090886 1024325396 /nfs/dbraw/zinc/32/53/96/1024325396.db2.gz POTBIJIPOQPBCH-ZWKOTPCHSA-N 1 3 303.494 3.647 20 0 DHADHO CSC(C)(C)CC[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000877007569 1033204205 /nfs/dbraw/zinc/20/42/05/1033204205.db2.gz WHHCHCXOLAXUOG-SFHVURJKSA-N 1 3 320.546 3.672 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CCOCc2ccccc2)C1 ZINC000877019992 1033207889 /nfs/dbraw/zinc/20/78/89/1033207889.db2.gz IQMAPVCSRBNVQH-QUCCMNQESA-N 1 3 318.505 3.692 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000270504684 1024399001 /nfs/dbraw/zinc/39/90/01/1024399001.db2.gz OEQJJLVRNJBTTK-MNOVXSKESA-N 1 3 316.276 3.568 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CCOCc2ccccc2)C1 ZINC000877019963 1033208466 /nfs/dbraw/zinc/20/84/66/1033208466.db2.gz IQMAPVCSRBNVQH-AZUAARDMSA-N 1 3 318.505 3.692 20 0 DHADHO FC(F)[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000663464220 1024400418 /nfs/dbraw/zinc/40/04/18/1024400418.db2.gz RDGIBZIVPQFNFR-QGZVFWFLSA-N 1 3 308.416 3.760 20 0 DHADHO C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466456 1024401867 /nfs/dbraw/zinc/40/18/67/1024401867.db2.gz TZAAELXVVNEVMR-FXAWDEMLSA-N 1 3 315.505 3.504 20 0 DHADHO C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467918 1024409132 /nfs/dbraw/zinc/40/91/32/1024409132.db2.gz ILFHQXBFEWDZOS-VQIMIIECSA-N 1 3 318.480 3.858 20 0 DHADHO c1ccc(C[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C2CC2)cc1 ZINC000663469287 1024418492 /nfs/dbraw/zinc/41/84/92/1024418492.db2.gz PNQYYDHUNSBOBU-FPOVZHCZSA-N 1 3 312.501 3.719 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC000925777869 1024430498 /nfs/dbraw/zinc/43/04/98/1024430498.db2.gz HPRKTINMCJLNAD-ZWNOBZJWSA-N 1 3 322.321 3.601 20 0 DHADHO CSC1(C[NH2+][C@H](C)c2ccc(CN)nc2C)CCCCC1 ZINC000925778392 1024436006 /nfs/dbraw/zinc/43/60/06/1024436006.db2.gz VMOLEYJARSDYPP-CYBMUJFWSA-N 1 3 307.507 3.565 20 0 DHADHO Cc1cc2c(cc1C)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3C)CCCO2 ZINC000453366865 1024491464 /nfs/dbraw/zinc/49/14/64/1024491464.db2.gz TURVPFIAGDRNFC-RGPMPMONSA-N 1 3 314.473 3.732 20 0 DHADHO c1cnc2ccc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2c1 ZINC000271394119 1024497624 /nfs/dbraw/zinc/49/76/24/1024497624.db2.gz UNRVQLPSVPVPRV-RXVVDRJESA-N 1 3 321.468 3.684 20 0 DHADHO c1cnc2ccc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2c1 ZINC000271394119 1024497626 /nfs/dbraw/zinc/49/76/26/1024497626.db2.gz UNRVQLPSVPVPRV-RXVVDRJESA-N 1 3 321.468 3.684 20 0 DHADHO Fc1ccc([C@@H](N[C@H]2CC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC000643536503 1024539403 /nfs/dbraw/zinc/53/94/03/1024539403.db2.gz ULZZIXDZNABTRE-OALUTQOASA-N 1 3 310.416 3.647 20 0 DHADHO CC[NH+](CC)CCC[C@H](C)N(C)Cc1cn2ccc(C)cc2n1 ZINC001167835244 1024612457 /nfs/dbraw/zinc/61/24/57/1024612457.db2.gz PPPNLPSRAJCQRU-KRWDZBQOSA-N 1 3 316.493 3.585 20 0 DHADHO COc1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)ccc1C ZINC000194184411 1024617884 /nfs/dbraw/zinc/61/78/84/1024617884.db2.gz MXFNEOXEACORFY-UHFFFAOYSA-N 1 3 324.468 3.889 20 0 DHADHO c1ccc([C@H]2C[C@H](NCCOC3CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000877071054 1033227575 /nfs/dbraw/zinc/22/75/75/1033227575.db2.gz CIOQPNLROMPNSY-YLJYHZDGSA-N 1 3 314.473 3.513 20 0 DHADHO c1ccc([C@H]2C[C@H](NCCOC3CCC3)CC[N@H+]2C2CC2)cc1 ZINC000877071054 1033227579 /nfs/dbraw/zinc/22/75/79/1033227579.db2.gz CIOQPNLROMPNSY-YLJYHZDGSA-N 1 3 314.473 3.513 20 0 DHADHO Fc1ccc([C@H](C[C@H]2CCCO2)[NH2+]CCCN2CCCC2)cc1 ZINC000353387965 1025049410 /nfs/dbraw/zinc/04/94/10/1025049410.db2.gz PBRFHADABHQZLL-MOPGFXCFSA-N 1 3 320.452 3.511 20 0 DHADHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000539071068 1033268251 /nfs/dbraw/zinc/26/82/51/1033268251.db2.gz MTCGPPUOFOFADK-QRVBRYPASA-N 1 3 318.505 3.843 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCOc1ccc(C(C)(C)C)cc1 ZINC000539072333 1033268827 /nfs/dbraw/zinc/26/88/27/1033268827.db2.gz PPCCTYVTUJZIGS-GPMSIDNRSA-N 1 3 318.505 3.681 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCOc1ccc(C(C)(C)C)cc1 ZINC000539072333 1033268839 /nfs/dbraw/zinc/26/88/39/1033268839.db2.gz PPCCTYVTUJZIGS-GPMSIDNRSA-N 1 3 318.505 3.681 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@H]2CCCOc3ccccc32)c1 ZINC000123677748 1025394822 /nfs/dbraw/zinc/39/48/22/1025394822.db2.gz DYMQWEUBZUNQGW-IBGZPJMESA-N 1 3 310.441 3.752 20 0 DHADHO CN1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1Cl)C2 ZINC000660662686 1025431088 /nfs/dbraw/zinc/43/10/88/1025431088.db2.gz LCUIJRLVFSAAFY-GOSISDBHSA-N 1 3 306.881 3.690 20 0 DHADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1Cl)C2 ZINC000660662686 1025431093 /nfs/dbraw/zinc/43/10/93/1025431093.db2.gz LCUIJRLVFSAAFY-GOSISDBHSA-N 1 3 306.881 3.690 20 0 DHADHO Cc1ccc(C)c(OC2CC[NH+](CC[C@H]3CCCN3C)CC2)c1 ZINC000125001509 1025453295 /nfs/dbraw/zinc/45/32/95/1025453295.db2.gz GORJWHSYCVTLIR-GOSISDBHSA-N 1 3 316.489 3.631 20 0 DHADHO CCc1nc2c(s1)[C@@H]([NH2+]C1CCN(CC(C)C)CC1)CCC2 ZINC000131200301 1025689179 /nfs/dbraw/zinc/68/91/79/1025689179.db2.gz JXXGPRPKBQNGFS-HNNXBMFYSA-N 1 3 321.534 3.793 20 0 DHADHO CC(C)c1ccc(O[C@@H](C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000806167564 1025824410 /nfs/dbraw/zinc/82/44/10/1025824410.db2.gz AAHYXSRGLTXJSP-UXDRXVOSSA-N 1 3 316.489 3.792 20 0 DHADHO CC(C)c1ccc(O[C@@H](C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000806167564 1025824430 /nfs/dbraw/zinc/82/44/30/1025824430.db2.gz AAHYXSRGLTXJSP-UXDRXVOSSA-N 1 3 316.489 3.792 20 0 DHADHO CC(C)[N@@H+](CC[C@H](C)CCCC(C)(C)O)[C@H]1CCCNCC1 ZINC001206584339 1025854310 /nfs/dbraw/zinc/85/43/10/1025854310.db2.gz YNYRDKIWKXJVPA-MSOLQXFVSA-N 1 3 312.542 3.806 20 0 DHADHO CC(C)[N@H+](CC[C@H](C)CCCC(C)(C)O)[C@H]1CCCNCC1 ZINC001206584339 1025854330 /nfs/dbraw/zinc/85/43/30/1025854330.db2.gz YNYRDKIWKXJVPA-MSOLQXFVSA-N 1 3 312.542 3.806 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1cccnc1 ZINC000136598871 1025867900 /nfs/dbraw/zinc/86/79/00/1025867900.db2.gz YHUYIZODEPWQIX-AOIWGVFYSA-N 1 3 309.457 3.643 20 0 DHADHO Clc1ccc(CN2CCC(C[NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167916594 1025886779 /nfs/dbraw/zinc/88/67/79/1025886779.db2.gz HWTXYLFENGVPLF-DZFIZOCASA-N 1 3 318.892 3.940 20 0 DHADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2cc[nH]c2)CC1 ZINC000086253246 1026018963 /nfs/dbraw/zinc/01/89/63/1026018963.db2.gz FTPXMFGKQILYNM-UHFFFAOYSA-N 1 3 317.864 3.670 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(-c3cccnc3)c2)[C@H](C)C1 ZINC000093638999 1026118857 /nfs/dbraw/zinc/11/88/57/1026118857.db2.gz QDUMJOOMASFQGJ-DYESRHJHSA-N 1 3 323.484 3.911 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(-c3cccnc3)c2)[C@H](C)C1 ZINC000093638999 1026118864 /nfs/dbraw/zinc/11/88/64/1026118864.db2.gz QDUMJOOMASFQGJ-DYESRHJHSA-N 1 3 323.484 3.911 20 0 DHADHO CN(Cc1ccc(C[NH+](C)C)cc1)CC1=Cc2ccccc2OC1 ZINC000809737084 1026609421 /nfs/dbraw/zinc/60/94/21/1026609421.db2.gz CUWQNCGPNQOYKO-UHFFFAOYSA-N 1 3 322.452 3.656 20 0 DHADHO COc1ccc([C@@H](CN)C[N@H+](Cc2cccs2)C(C)C)cc1 ZINC000420296944 1026794834 /nfs/dbraw/zinc/79/48/34/1026794834.db2.gz CRXIARPTRBQKJO-INIZCTEOSA-N 1 3 318.486 3.710 20 0 DHADHO COc1ccc([C@@H](CN)C[N@@H+](Cc2cccs2)C(C)C)cc1 ZINC000420296944 1026794844 /nfs/dbraw/zinc/79/48/44/1026794844.db2.gz CRXIARPTRBQKJO-INIZCTEOSA-N 1 3 318.486 3.710 20 0 DHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000420297374 1026798313 /nfs/dbraw/zinc/79/83/13/1026798313.db2.gz DBYXRTYUOMKVEX-AEFFLSMTSA-N 1 3 316.470 3.636 20 0 DHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000420297374 1026798322 /nfs/dbraw/zinc/79/83/22/1026798322.db2.gz DBYXRTYUOMKVEX-AEFFLSMTSA-N 1 3 316.470 3.636 20 0 DHADHO CC1(C)CNCC[C@@H]1[NH2+]CCCSc1ccccc1Cl ZINC000420355465 1026807435 /nfs/dbraw/zinc/80/74/35/1026807435.db2.gz FGOXNCFLLHZGHR-HNNXBMFYSA-N 1 3 312.910 3.800 20 0 DHADHO C[C@H](c1ccc(Cl)cc1)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420386940 1026811200 /nfs/dbraw/zinc/81/12/00/1026811200.db2.gz VJKKOVIFYXQFQX-FSPWUOQZSA-N 1 3 322.880 3.619 20 0 DHADHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc(C)n1 ZINC000421380161 1026971830 /nfs/dbraw/zinc/97/18/30/1026971830.db2.gz LVCQQCYJHOWZMG-NQIIRXRSSA-N 1 3 323.484 3.699 20 0 DHADHO C[N@@H+]1CCC[C@@]2(CCN(Cc3cc4ccccc4s3)C2)C1 ZINC000571302262 1027119559 /nfs/dbraw/zinc/11/95/59/1027119559.db2.gz JSEYQQCCWCYWFW-GOSISDBHSA-N 1 3 300.471 3.819 20 0 DHADHO C[N@H+]1CCC[C@@]2(CCN(Cc3cc4ccccc4s3)C2)C1 ZINC000571302262 1027119565 /nfs/dbraw/zinc/11/95/65/1027119565.db2.gz JSEYQQCCWCYWFW-GOSISDBHSA-N 1 3 300.471 3.819 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000561976908 1027153275 /nfs/dbraw/zinc/15/32/75/1027153275.db2.gz WTMXJNOBFUYFAS-GJZGRUSLSA-N 1 3 310.432 3.606 20 0 DHADHO CC[NH+]1CCC(CNCc2ccc(Oc3ccccc3)o2)CC1 ZINC000573396514 1027290215 /nfs/dbraw/zinc/29/02/15/1027290215.db2.gz GEUWYONIQGVFOT-UHFFFAOYSA-N 1 3 314.429 3.893 20 0 DHADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1Cl ZINC000422726161 1027308521 /nfs/dbraw/zinc/30/85/21/1027308521.db2.gz DGSKOLVZZJCWNU-PBWFPOADSA-N 1 3 310.844 3.629 20 0 DHADHO CN(CCCCN[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422745040 1027310399 /nfs/dbraw/zinc/31/03/99/1027310399.db2.gz XBLJYOVPKAZHQR-UXHICEINSA-N 1 3 309.457 3.637 20 0 DHADHO Cc1ccsc1[C@@H](Cc1ccccc1)N[C@H](C)C1C[NH2+]C1 ZINC000422754594 1027314609 /nfs/dbraw/zinc/31/46/09/1027314609.db2.gz FBHTZHMSEBHPON-RHSMWYFYSA-N 1 3 300.471 3.538 20 0 DHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCSc1ccccc1 ZINC000422768625 1027316088 /nfs/dbraw/zinc/31/60/88/1027316088.db2.gz ZHVQXKDSJKKSIC-VQIMIIECSA-N 1 3 314.498 3.717 20 0 DHADHO C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])Sc1ccccc1 ZINC000422778901 1027317156 /nfs/dbraw/zinc/31/71/56/1027317156.db2.gz BCTSOTUIZKENEZ-JTDSTZFVSA-N 1 3 314.498 3.715 20 0 DHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc2ccccc2n1 ZINC000422780072 1027319516 /nfs/dbraw/zinc/31/95/16/1027319516.db2.gz JSZFEYPSNMKKLU-LPHOPBHVSA-N 1 3 311.473 3.678 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000422810180 1027331799 /nfs/dbraw/zinc/33/17/99/1027331799.db2.gz SZRSCKCYFUDRSQ-YOEHRIQHSA-N 1 3 309.457 3.619 20 0 DHADHO [NH3+][C@@H]1C[C@@H](N[C@H](CN2CCCC2)c2ccccc2)c2ccccc21 ZINC000422808002 1027332322 /nfs/dbraw/zinc/33/23/22/1027332322.db2.gz PQIFBSDZCOEPEB-NJDAHSKKSA-N 1 3 321.468 3.558 20 0 DHADHO COc1ccc(-c2ccc(CN[C@H](C)C[C@H](C)[NH3+])s2)cc1 ZINC000422831194 1027334045 /nfs/dbraw/zinc/33/40/45/1027334045.db2.gz WLXOLESUVZSVJT-QWHCGFSZSA-N 1 3 304.459 3.639 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(COCc2ccccc2)c1 ZINC000422860536 1027343378 /nfs/dbraw/zinc/34/33/78/1027343378.db2.gz LMELUPUVFFRENA-IRXDYDNUSA-N 1 3 312.457 3.619 20 0 DHADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000422862929 1027343878 /nfs/dbraw/zinc/34/38/78/1027343878.db2.gz OFKYSRHEMXCETL-RTWAWAEBSA-N 1 3 324.468 3.620 20 0 DHADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(COCc2ccccc2)cc1 ZINC000422867390 1027348044 /nfs/dbraw/zinc/34/80/44/1027348044.db2.gz SBSTWXOWNUAJJE-SJORKVTESA-N 1 3 312.457 3.619 20 0 DHADHO CC[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)Oc1cccc(F)c1 ZINC000422844866 1027348251 /nfs/dbraw/zinc/34/82/51/1027348251.db2.gz ALUFACGYUYXRTO-ZMYBRWDISA-N 1 3 314.404 3.718 20 0 DHADHO [NH3+][C@@H]1C[C@H](NCCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000422885216 1027348882 /nfs/dbraw/zinc/34/88/82/1027348882.db2.gz GKUKEVDDBKAQKB-QUCCMNQESA-N 1 3 305.425 3.835 20 0 DHADHO C[C@@H](CCC[NH3+])N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422883489 1027349981 /nfs/dbraw/zinc/34/99/81/1027349981.db2.gz CIBADGFUUUIWNO-SUMWQHHRSA-N 1 3 303.837 3.541 20 0 DHADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(OCc2ccccc2)cc1 ZINC000422885058 1027351444 /nfs/dbraw/zinc/35/14/44/1027351444.db2.gz TWPZNANUNNSJIF-LAUBAEHRSA-N 1 3 324.468 3.743 20 0 DHADHO CSc1cc(C)ccc1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422875232 1027355689 /nfs/dbraw/zinc/35/56/89/1027355689.db2.gz OPDJRZKRKPHQQW-CYBMUJFWSA-N 1 3 315.486 3.730 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000422913874 1027359596 /nfs/dbraw/zinc/35/95/96/1027359596.db2.gz RATISLINRCHPCR-FOIQADDNSA-N 1 3 309.457 3.521 20 0 DHADHO COc1ccccc1SC[C@@H](C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422943389 1027369194 /nfs/dbraw/zinc/36/91/94/1027369194.db2.gz KFDSVMQXAUDSBZ-XHSDSOJGSA-N 1 3 322.518 3.544 20 0 DHADHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000423006589 1027390516 /nfs/dbraw/zinc/39/05/16/1027390516.db2.gz VZAITAHFTWIFRE-OALUTQOASA-N 1 3 314.404 3.630 20 0 DHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1csc(C(C)(C)C)n1 ZINC000423016037 1027390633 /nfs/dbraw/zinc/39/06/33/1027390633.db2.gz ATOHQVKTYMGOSS-GJZGRUSLSA-N 1 3 323.550 3.884 20 0 DHADHO FC(F)(F)c1cccc([C@@H](N[C@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000423011743 1027391754 /nfs/dbraw/zinc/39/17/54/1027391754.db2.gz BMFXCTQCYAMHSW-HOTGVXAUSA-N 1 3 312.379 3.888 20 0 DHADHO CC(C)(C)c1nc(CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)cs1 ZINC000423021134 1027393947 /nfs/dbraw/zinc/39/39/47/1027393947.db2.gz DMNWULJEJDHPBY-CVEARBPZSA-N 1 3 315.486 3.718 20 0 DHADHO C[C@H](NCC1(c2ccc(Cl)cc2Cl)CCC1)C1C[NH2+]C1 ZINC000423019719 1027394133 /nfs/dbraw/zinc/39/41/33/1027394133.db2.gz WVWHJSVCSFZKCD-NSHDSACASA-N 1 3 313.272 3.613 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]Cc1cc2c(s1)CCCC2 ZINC000574443237 1027394606 /nfs/dbraw/zinc/39/46/06/1027394606.db2.gz PKVJITRYYFAURH-LBPRGKRZSA-N 1 3 315.486 3.640 20 0 DHADHO NC[C@H]1CCC[C@@H]1[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000423034450 1027397792 /nfs/dbraw/zinc/39/77/92/1027397792.db2.gz QCQJJJODQMVQAY-QAPCUYQASA-N 1 3 307.441 3.512 20 0 DHADHO Cn1cc(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)c2ccc(F)cc21 ZINC000423045088 1027400621 /nfs/dbraw/zinc/40/06/21/1027400621.db2.gz BKFYIHVRWUJBKP-MOPGFXCFSA-N 1 3 323.415 3.594 20 0 DHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000423063927 1027403601 /nfs/dbraw/zinc/40/36/01/1027403601.db2.gz QAKWNNCZOHXSOF-KFWWJZLASA-N 1 3 300.368 3.582 20 0 DHADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423057930 1027404607 /nfs/dbraw/zinc/40/46/07/1027404607.db2.gz INRLYRSEHLENLT-QWRGUYRKSA-N 1 3 318.358 3.592 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2cccc(Cl)c2F)CCCC1 ZINC000423078672 1027410058 /nfs/dbraw/zinc/41/00/58/1027410058.db2.gz OXWZJZCRVZZNPW-CABCVRRESA-N 1 3 310.844 3.760 20 0 DHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1cccc2c1CC[C@@H]2[NH3+] ZINC001170686683 1027410829 /nfs/dbraw/zinc/41/08/29/1027410829.db2.gz YWXVTOKESODZAY-GUYCJALGSA-N 1 3 318.424 3.505 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(OCc2ccccc2F)cc1 ZINC000423053774 1027412127 /nfs/dbraw/zinc/41/21/27/1027412127.db2.gz SXEZRECQLMKAOZ-LSDHHAIUSA-N 1 3 316.420 3.620 20 0 DHADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423098631 1027415617 /nfs/dbraw/zinc/41/56/17/1027415617.db2.gz CZLPPGYUVGWXJV-TZMCWYRMSA-N 1 3 300.899 3.831 20 0 DHADHO NC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423095067 1027415652 /nfs/dbraw/zinc/41/56/52/1027415652.db2.gz LHFQPQAHLZLGNM-RRCSTGOVSA-N 1 3 312.379 3.668 20 0 DHADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423100070 1027418329 /nfs/dbraw/zinc/41/83/29/1027418329.db2.gz GDZPKWKHFFTMBD-CGTJXYLNSA-N 1 3 322.880 3.525 20 0 DHADHO C[C@@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000423075832 1027418920 /nfs/dbraw/zinc/41/89/20/1027418920.db2.gz PLSYPQRHCNTKNM-VIBAHUMZSA-N 1 3 322.880 3.618 20 0 DHADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423100074 1027419164 /nfs/dbraw/zinc/41/91/64/1027419164.db2.gz GDZPKWKHFFTMBD-RYQLBKOJSA-N 1 3 322.880 3.525 20 0 DHADHO C[C@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc[nH]1 ZINC000812840884 1027438807 /nfs/dbraw/zinc/43/88/07/1027438807.db2.gz KCVWNNBPNLJCPT-HNNXBMFYSA-N 1 3 315.436 3.512 20 0 DHADHO CC(C)[C@H](NC[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423213076 1027449810 /nfs/dbraw/zinc/44/98/10/1027449810.db2.gz MVHDSAOLDIIJKI-CJNGLKHVSA-N 1 3 314.395 3.992 20 0 DHADHO COc1ccc([C@H](N[C@H]2CCC[C@H]([NH+](C)C)C2)C(C)C)cc1 ZINC000575147303 1027459399 /nfs/dbraw/zinc/45/93/99/1027459399.db2.gz SFXQYEUXUYSXIN-JENIJYKNSA-N 1 3 304.478 3.855 20 0 DHADHO COc1ccc([C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)C(C)C)cc1 ZINC000575147303 1027459403 /nfs/dbraw/zinc/45/94/03/1027459403.db2.gz SFXQYEUXUYSXIN-JENIJYKNSA-N 1 3 304.478 3.855 20 0 DHADHO Cc1nc2c(s1)[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)CCC2 ZINC000423292056 1027486380 /nfs/dbraw/zinc/48/63/80/1027486380.db2.gz LBRBMTYLKGEGCW-NHYWBVRUSA-N 1 3 301.459 3.638 20 0 DHADHO CC(C)[C@@H](N)C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000423267771 1027490945 /nfs/dbraw/zinc/49/09/45/1027490945.db2.gz FVXQPPQGRGFIEM-GXFFZTMASA-N 1 3 317.296 3.535 20 0 DHADHO COc1ccc2c(c1F)CC[C@H]2NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423294594 1027500708 /nfs/dbraw/zinc/50/07/08/1027500708.db2.gz UXIYBTGSVGCAPK-YVEFUNNKSA-N 1 3 314.404 3.631 20 0 DHADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423300139 1027502262 /nfs/dbraw/zinc/50/22/62/1027502262.db2.gz QWPBUZWSWOVEPF-MNOVXSKESA-N 1 3 306.397 3.586 20 0 DHADHO COc1ccc([C@H](C)NC[C@@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC000423343685 1027516994 /nfs/dbraw/zinc/51/69/94/1027516994.db2.gz XBFIXJKNEQHLBR-YWZLYKJASA-N 1 3 312.457 3.889 20 0 DHADHO COc1ccc([C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC000423343684 1027517705 /nfs/dbraw/zinc/51/77/05/1027517705.db2.gz XBFIXJKNEQHLBR-QRWLVFNGSA-N 1 3 312.457 3.889 20 0 DHADHO COc1ccc2oc([C@H](C)N[C@H]3CCC[C@@H]([NH3+])C3)c(C)c2c1 ZINC000423363705 1027520398 /nfs/dbraw/zinc/52/03/98/1027520398.db2.gz AFCPFKAUKBEUAO-MJBXVCDLSA-N 1 3 302.418 3.670 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423401487 1027527232 /nfs/dbraw/zinc/52/72/32/1027527232.db2.gz QXJQZXGSMZYPSA-WCZJQEMASA-N 1 3 306.881 3.954 20 0 DHADHO CC[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc2cc(OC)ccc2c1 ZINC000423391342 1027529989 /nfs/dbraw/zinc/52/99/89/1027529989.db2.gz KWUILEVVYZOHNS-PNHOKKKMSA-N 1 3 312.457 3.887 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000423403110 1027538794 /nfs/dbraw/zinc/53/87/94/1027538794.db2.gz YEMHKBMVXJAZKD-FUHIMQAGSA-N 1 3 308.469 3.937 20 0 DHADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423457050 1027553848 /nfs/dbraw/zinc/55/38/48/1027553848.db2.gz FFAHAUKHWWPGCJ-UONOGXRCSA-N 1 3 319.449 3.654 20 0 DHADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423464525 1027555663 /nfs/dbraw/zinc/55/56/63/1027555663.db2.gz MDVVSONQQWBCJQ-RDTXWAMCSA-N 1 3 316.420 3.793 20 0 DHADHO CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]34)C[C@@H]21 ZINC001170716451 1027784953 /nfs/dbraw/zinc/78/49/53/1027784953.db2.gz UEDIMXVRPIRGJB-OXZADQLBSA-N 1 3 324.512 3.921 20 0 DHADHO CC1CCC(OC2CC[NH+](CCCN3CCCCC3)CC2)CC1 ZINC000364589772 1027848411 /nfs/dbraw/zinc/84/84/11/1027848411.db2.gz FZZBFRLRJNCUBG-UHFFFAOYSA-N 1 3 322.537 3.922 20 0 DHADHO CC(C)(C)OC1CC([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000779038707 1027990102 /nfs/dbraw/zinc/99/01/02/1027990102.db2.gz ZAPUNPYYTLXXIA-UHFFFAOYSA-N 1 3 322.537 3.967 20 0 DHADHO CC(C)(C)OC1CC(NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000779038707 1027990111 /nfs/dbraw/zinc/99/01/11/1027990111.db2.gz ZAPUNPYYTLXXIA-UHFFFAOYSA-N 1 3 322.537 3.967 20 0 DHADHO CC(C)[NH+]1CCC(N(C)C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449010795 1028260137 /nfs/dbraw/zinc/26/01/37/1028260137.db2.gz UZQVESYUSIKVNB-CQSZACIVSA-N 1 3 310.432 3.873 20 0 DHADHO COc1cccc2c(C[N@@H+]3CC[C@H]4[C@H](CCCN4C)C3)cccc12 ZINC000449044365 1028308628 /nfs/dbraw/zinc/30/86/28/1028308628.db2.gz DIZQBJPHACDUNV-XLIONFOSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(C[N@H+]3CC[C@H]4[C@H](CCCN4C)C3)cccc12 ZINC000449044365 1028308646 /nfs/dbraw/zinc/30/86/46/1028308646.db2.gz DIZQBJPHACDUNV-XLIONFOSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cccc12 ZINC000449044365 1028308661 /nfs/dbraw/zinc/30/86/61/1028308661.db2.gz DIZQBJPHACDUNV-XLIONFOSSA-N 1 3 324.468 3.765 20 0 DHADHO COc1cccc2c(CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cccc12 ZINC000449044365 1028308679 /nfs/dbraw/zinc/30/86/79/1028308679.db2.gz DIZQBJPHACDUNV-XLIONFOSSA-N 1 3 324.468 3.765 20 0 DHADHO CC(C)C[C@H](CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449092414 1028365019 /nfs/dbraw/zinc/36/50/19/1028365019.db2.gz LZPGUOMJKGGPEA-QGZVFWFLSA-N 1 3 312.542 3.662 20 0 DHADHO Fc1ccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000368612874 1028385165 /nfs/dbraw/zinc/38/51/65/1028385165.db2.gz ICSVSUHULFAIKF-YHUYYLMFSA-N 1 3 322.855 3.942 20 0 DHADHO Fc1ccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000368612874 1028385179 /nfs/dbraw/zinc/38/51/79/1028385179.db2.gz ICSVSUHULFAIKF-YHUYYLMFSA-N 1 3 322.855 3.942 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+]C2CCC3(CCCC3)CC2)C[C@@H](C)O1 ZINC000564410550 1028434758 /nfs/dbraw/zinc/43/47/58/1028434758.db2.gz RSTUDUWNTUVMBB-QZTJIDSGSA-N 1 3 322.537 3.968 20 0 DHADHO C[NH+]1CCC2(CCCN(Cc3cnc(C(C)(C)C)s3)C2)CC1 ZINC000369202827 1028458990 /nfs/dbraw/zinc/45/89/90/1028458990.db2.gz JKVAHJKERIDODO-UHFFFAOYSA-N 1 3 321.534 3.748 20 0 DHADHO CCC[NH+]1CCC(NCc2cccc3c(OC)cccc23)CC1 ZINC000449220684 1028463802 /nfs/dbraw/zinc/46/38/02/1028463802.db2.gz QSKCALQWGLHRTM-UHFFFAOYSA-N 1 3 312.457 3.812 20 0 DHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CSC2(C)C)CC1 ZINC000449314898 1028549866 /nfs/dbraw/zinc/54/98/66/1028549866.db2.gz SLCDOMKHVXKBTG-YJBOKZPZSA-N 1 3 318.530 3.566 20 0 DHADHO Fc1ccc(CN(Cc2ccc3c(c2)C[NH2+]CC3)C2CC2)cc1 ZINC000566351213 1028707151 /nfs/dbraw/zinc/70/71/51/1028707151.db2.gz RUELCTSCCXIGQA-UHFFFAOYSA-N 1 3 310.416 3.636 20 0 DHADHO Cc1cc(C)c(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000449736581 1028958140 /nfs/dbraw/zinc/95/81/40/1028958140.db2.gz WBEKDYRTPBOZRL-AZUAARDMSA-N 1 3 323.484 3.699 20 0 DHADHO Cc1cc(C)c(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000449736582 1028958882 /nfs/dbraw/zinc/95/88/82/1028958882.db2.gz WBEKDYRTPBOZRL-ICSRJNTNSA-N 1 3 323.484 3.699 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000568008317 1028993899 /nfs/dbraw/zinc/99/38/99/1028993899.db2.gz VALQUYPZOHNXEE-DWDRNJEXSA-N 1 3 301.478 3.714 20 0 DHADHO c1ccc2c(c1)SCC[C@H]2[NH2+]C1CC(N2CCCCC2)C1 ZINC000373517509 1029067024 /nfs/dbraw/zinc/06/70/24/1029067024.db2.gz ASQHQCWRTIPHJX-VMBOVVBDSA-N 1 3 302.487 3.830 20 0 DHADHO C[C@H](N[C@@H]1C[C@H]1c1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411520832 1029148225 /nfs/dbraw/zinc/14/82/25/1029148225.db2.gz XCNJWNTUMXHIJH-JKTDJZPLSA-N 1 3 316.464 3.924 20 0 DHADHO C[C@H](N[C@@H]1C[C@H]1c1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411520832 1029148235 /nfs/dbraw/zinc/14/82/35/1029148235.db2.gz XCNJWNTUMXHIJH-JKTDJZPLSA-N 1 3 316.464 3.924 20 0 DHADHO C[C@H]([NH2+][C@@H]1C[C@H]1c1cccc(F)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000411520832 1029148241 /nfs/dbraw/zinc/14/82/41/1029148241.db2.gz XCNJWNTUMXHIJH-JKTDJZPLSA-N 1 3 316.464 3.924 20 0 DHADHO Cc1cnccc1CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000568949916 1029149808 /nfs/dbraw/zinc/14/98/08/1029149808.db2.gz UESGOVMRTZDSCI-AEFFLSMTSA-N 1 3 315.486 3.624 20 0 DHADHO Cc1cnccc1CNC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000568949916 1029149815 /nfs/dbraw/zinc/14/98/15/1029149815.db2.gz UESGOVMRTZDSCI-AEFFLSMTSA-N 1 3 315.486 3.624 20 0 DHADHO FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCNC1 ZINC000817941884 1029284778 /nfs/dbraw/zinc/28/47/78/1029284778.db2.gz SUDVQIVYRPFSOC-IUODEOHRSA-N 1 3 312.429 3.720 20 0 DHADHO CC[C@H](NC[C@H]([NH3+])c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000817955174 1029293645 /nfs/dbraw/zinc/29/36/45/1029293645.db2.gz RSVGWCMJMFKUGD-OALUTQOASA-N 1 3 310.441 3.752 20 0 DHADHO CC[C@@H](NC[C@H]([NH3+])c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000817955175 1029295827 /nfs/dbraw/zinc/29/58/27/1029295827.db2.gz RSVGWCMJMFKUGD-RBUKOAKNSA-N 1 3 310.441 3.752 20 0 DHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CC23CC3)ccc1OC ZINC000818356278 1029383993 /nfs/dbraw/zinc/38/39/93/1029383993.db2.gz MXOROIFPEHIRPE-KSSFIOAISA-N 1 3 302.462 3.740 20 0 DHADHO C[C@H](CCN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629652885 1029406964 /nfs/dbraw/zinc/40/69/64/1029406964.db2.gz CGPAQVMFLXIYTH-KBMXLJTQSA-N 1 3 314.395 3.639 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2ccccc2)[C@@H](C)C1 ZINC000120875669 1029414860 /nfs/dbraw/zinc/41/48/60/1029414860.db2.gz QRMZWDZZGZSYIR-IHPCNDPISA-N 1 3 318.505 3.864 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2ccccc2)[C@@H](C)C1 ZINC000120875669 1029414866 /nfs/dbraw/zinc/41/48/66/1029414866.db2.gz QRMZWDZZGZSYIR-IHPCNDPISA-N 1 3 318.505 3.864 20 0 DHADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000570826328 1029425608 /nfs/dbraw/zinc/42/56/08/1029425608.db2.gz AGPUYLQTRHUVKS-WWGRRREGSA-N 1 3 310.388 3.525 20 0 DHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000530207168 1029779798 /nfs/dbraw/zinc/77/97/98/1029779798.db2.gz CCDLQTSJGQAMTI-VBPKBEQMSA-N 1 3 323.278 3.569 20 0 DHADHO Cc1ccncc1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000290480592 1030068817 /nfs/dbraw/zinc/06/88/17/1030068817.db2.gz VIZLDIIVQGWMPZ-UHFFFAOYSA-N 1 3 315.505 3.709 20 0 DHADHO c1ccc(SC2CC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000924700379 1030163798 /nfs/dbraw/zinc/16/37/98/1030163798.db2.gz WKZBYTLQJZFGSV-UERKLNTKSA-N 1 3 302.487 3.526 20 0 DHADHO c1ccc(SC2CC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000924700379 1030163811 /nfs/dbraw/zinc/16/38/11/1030163811.db2.gz WKZBYTLQJZFGSV-UERKLNTKSA-N 1 3 302.487 3.526 20 0 DHADHO C[C@H](CCc1cccnc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000866278065 1030201358 /nfs/dbraw/zinc/20/13/58/1030201358.db2.gz LTKPGIGSCKTUMO-QGZVFWFLSA-N 1 3 315.505 3.789 20 0 DHADHO Clc1ccnc2c1CC[C@H]2NCCCCC[NH+]1CCCCC1 ZINC000925050684 1030257306 /nfs/dbraw/zinc/25/73/06/1030257306.db2.gz UGFHLGKOLFFSME-QGZVFWFLSA-N 1 3 321.896 3.968 20 0 DHADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1cn2c(n1)CCCC2 ZINC000925048358 1030257922 /nfs/dbraw/zinc/25/79/22/1030257922.db2.gz HQABYSIINHOABY-QGZVFWFLSA-N 1 3 318.509 3.526 20 0 DHADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC000925492430 1030374431 /nfs/dbraw/zinc/37/44/31/1030374431.db2.gz IPAAGLKWDFBYBS-MJGOQNOKSA-N 1 3 310.526 3.538 20 0 DHADHO C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cncn3C)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC001171032787 1030397096 /nfs/dbraw/zinc/39/70/96/1030397096.db2.gz WSEQPDICQDXKCW-WJQMWINMSA-N 1 3 318.509 3.790 20 0 DHADHO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2cc(F)cc3cccnc32)C1 ZINC000866705748 1030428813 /nfs/dbraw/zinc/42/88/13/1030428813.db2.gz IIFIHJQGONSCTP-IBGZPJMESA-N 1 3 315.436 3.571 20 0 DHADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925655073 1030440897 /nfs/dbraw/zinc/44/08/97/1030440897.db2.gz JDCBFIKLJNYHJU-OKKOPOJRSA-N 1 3 304.865 3.705 20 0 DHADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC(c3cccc(Cl)c3)C1)[NH2+]2 ZINC000925662549 1030445521 /nfs/dbraw/zinc/44/55/21/1030445521.db2.gz JDCBFIKLJNYHJU-YMCRMQOVSA-N 1 3 304.865 3.705 20 0 DHADHO FC(F)(F)C1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCCC1 ZINC000925716672 1030463058 /nfs/dbraw/zinc/46/30/58/1030463058.db2.gz BPIMBGKRSBJFJK-LSDHHAIUSA-N 1 3 318.427 3.867 20 0 DHADHO CC(C)[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc2ccccc2o1 ZINC000925780393 1030495144 /nfs/dbraw/zinc/49/51/44/1030495144.db2.gz FNMQHQKGPHULKD-PBHICJAKSA-N 1 3 322.399 3.964 20 0 DHADHO CCSc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925786929 1030497871 /nfs/dbraw/zinc/49/78/71/1030497871.db2.gz YCDSQLWMWQJCJR-JSGCOSHPSA-N 1 3 314.445 3.694 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@H]1CCCCN1 ZINC000925837541 1030514817 /nfs/dbraw/zinc/51/48/17/1030514817.db2.gz GUOONESCKHBYCL-YYIAUSFCSA-N 1 3 308.416 3.546 20 0 DHADHO C[C@H](Cc1ccncc1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000358670182 1030581921 /nfs/dbraw/zinc/58/19/21/1030581921.db2.gz VKYTXZDFRHJDML-HLIPFELVSA-N 1 3 315.505 3.645 20 0 DHADHO C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1cccc(C[NH+](C)C)c1 ZINC000926708466 1030872292 /nfs/dbraw/zinc/87/22/92/1030872292.db2.gz IKKRAHWFZZBCPH-JLTOFOAXSA-N 1 3 310.441 3.792 20 0 DHADHO CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccccc1OC(F)F ZINC000359373605 1030931811 /nfs/dbraw/zinc/93/18/11/1030931811.db2.gz URPLUKFRJUCQTF-CQSZACIVSA-N 1 3 314.420 3.917 20 0 DHADHO CCc1noc(C)c1[C@@H](C)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927038534 1031046435 /nfs/dbraw/zinc/04/64/35/1031046435.db2.gz PGXVWRUJYYXACI-MJJDPTRDSA-N 1 3 305.466 3.603 20 0 DHADHO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000359593503 1031049367 /nfs/dbraw/zinc/04/93/67/1031049367.db2.gz RZTAEHGCRQGBNS-JXFKEZNVSA-N 1 3 309.457 3.884 20 0 DHADHO CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000359593503 1031049377 /nfs/dbraw/zinc/04/93/77/1031049377.db2.gz RZTAEHGCRQGBNS-JXFKEZNVSA-N 1 3 309.457 3.884 20 0 DHADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCN1CCCCC1 ZINC000359617631 1031063043 /nfs/dbraw/zinc/06/30/43/1031063043.db2.gz DKBZQKRCCIBSCC-SFHVURJKSA-N 1 3 302.462 3.674 20 0 DHADHO COc1ccc(CNC[C@H]2CC[N@@H+](C(C)C)C2)c2ccccc12 ZINC000321471156 1031186050 /nfs/dbraw/zinc/18/60/50/1031186050.db2.gz FLCAVCVLTMCPCS-MRXNPFEDSA-N 1 3 312.457 3.668 20 0 DHADHO COc1ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)c2ccccc12 ZINC000321471156 1031186060 /nfs/dbraw/zinc/18/60/60/1031186060.db2.gz FLCAVCVLTMCPCS-MRXNPFEDSA-N 1 3 312.457 3.668 20 0 DHADHO CN1CCC2(CC1)C[C@H]([NH2+]C1CCCCC1)c1ccccc1O2 ZINC000360254113 1031346999 /nfs/dbraw/zinc/34/69/99/1031346999.db2.gz MQOXYTWIOLKJLW-SFHVURJKSA-N 1 3 314.473 3.897 20 0 DHADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CCO1 ZINC000872027649 1031411514 /nfs/dbraw/zinc/41/15/14/1031411514.db2.gz FRWBHFAWFJPDES-RTBURBONSA-N 1 3 322.537 3.824 20 0 DHADHO CC(C)[C@H](NCCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000536960254 1031478476 /nfs/dbraw/zinc/47/84/76/1031478476.db2.gz QGPUKYXIHZESNQ-HNNXBMFYSA-N 1 3 302.384 3.944 20 0 DHADHO C[C@H](CCc1ccsc1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000360956685 1031642853 /nfs/dbraw/zinc/64/28/53/1031642853.db2.gz VYZWBJVEXZPSCV-BRWVUGGUSA-N 1 3 324.534 3.548 20 0 DHADHO c1c2ccccc2sc1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000293874339 1031667901 /nfs/dbraw/zinc/66/79/01/1031667901.db2.gz ZUGXLNDBDOCEME-JKSUJKDBSA-N 1 3 300.471 3.660 20 0 DHADHO c1c2ccccc2sc1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000293874339 1031667909 /nfs/dbraw/zinc/66/79/09/1031667909.db2.gz ZUGXLNDBDOCEME-JKSUJKDBSA-N 1 3 300.471 3.660 20 0 DHADHO C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208224 1031761498 /nfs/dbraw/zinc/76/14/98/1031761498.db2.gz FLILBNODFQUZQD-CMPLNLGQSA-N 1 3 318.408 3.557 20 0 DHADHO c1c(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)sc2c1CNCC2 ZINC000873212069 1031761633 /nfs/dbraw/zinc/76/16/33/1031761633.db2.gz GRIRZDDVEHGBEJ-YTQUADARSA-N 1 3 324.493 3.629 20 0 DHADHO c1c(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)sc2c1CNCC2 ZINC000873212069 1031761643 /nfs/dbraw/zinc/76/16/43/1031761643.db2.gz GRIRZDDVEHGBEJ-YTQUADARSA-N 1 3 324.493 3.629 20 0 DHADHO Cc1cccnc1[C@@H]([NH2+]C1CCN(CC2CC2)CC1)C(C)(C)C ZINC000897995710 1031904910 /nfs/dbraw/zinc/90/49/10/1031904910.db2.gz RDKANCBLSNZDBC-LJQANCHMSA-N 1 3 315.505 3.941 20 0 DHADHO Cc1ncccc1CCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000898254660 1032004002 /nfs/dbraw/zinc/00/40/02/1032004002.db2.gz FLRJVLMGXJNTDU-OXJNMPFZSA-N 1 3 315.505 3.565 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000044535405 1032055449 /nfs/dbraw/zinc/05/54/49/1032055449.db2.gz SHKPJZTVMIERQH-CHWSQXEVSA-N 1 3 300.368 3.698 20 0 DHADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccccc1C(F)(F)F ZINC000044535405 1032055466 /nfs/dbraw/zinc/05/54/66/1032055466.db2.gz SHKPJZTVMIERQH-CHWSQXEVSA-N 1 3 300.368 3.698 20 0 DHADHO Brc1ccc([C@H](N[C@@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000643522557 1033339952 /nfs/dbraw/zinc/33/99/52/1033339952.db2.gz PGMMAMAEOCSEOV-HZPDHXFCSA-N 1 3 323.278 3.632 20 0 DHADHO Clc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001172711939 1033346444 /nfs/dbraw/zinc/34/64/44/1033346444.db2.gz IGUOXMKMQUJLRR-SFHVURJKSA-N 1 3 318.892 3.804 20 0 DHADHO C[C@@H]1[C@H]([NH2+]CC(C)(C)CN2CCCC2)C[C@@H]1c1ccccc1 ZINC000477929356 1033369237 /nfs/dbraw/zinc/36/92/37/1033369237.db2.gz RERZBQKWMQHSOL-YTQUADARSA-N 1 3 300.490 3.890 20 0 DHADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000477929354 1033370829 /nfs/dbraw/zinc/37/08/29/1033370829.db2.gz RERZBQKWMQHSOL-UHOSZYNNSA-N 1 3 300.490 3.890 20 0 DHADHO CN1CCC[C@@H]1CC[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172818696 1033381878 /nfs/dbraw/zinc/38/18/78/1033381878.db2.gz PZLSWZWDUDCCSW-SOAGJPPSSA-N 1 3 300.490 3.862 20 0 DHADHO Cc1ccc2c(c1)C[C@@H]([NH2+]CCCN1CCC(C)CC1)CC2 ZINC001172826963 1033389628 /nfs/dbraw/zinc/38/96/28/1033389628.db2.gz YLUHRBONZXDDTR-FQEVSTJZSA-N 1 3 300.490 3.564 20 0 DHADHO Cc1ccc2c(c1)C[C@@H]([NH+]1C(C)(C)CC(N)CC1(C)C)CC2 ZINC001172835964 1033398476 /nfs/dbraw/zinc/39/84/76/1033398476.db2.gz RCQWDIPQANFSBJ-SFHVURJKSA-N 1 3 300.490 3.833 20 0 DHADHO CC[NH+](CC)CCCN[C@@H](C)Cc1c(F)cccc1Cl ZINC001172838455 1033409837 /nfs/dbraw/zinc/40/98/37/1033409837.db2.gz LBCXNUROXXXUNK-ZDUSSCGKSA-N 1 3 300.849 3.732 20 0 DHADHO CCN1C[C@@H]2C[NH+]([C@@H](C)CSc3ccc(Cl)cc3)C[C@H]2C1 ZINC001172885615 1033458833 /nfs/dbraw/zinc/45/88/33/1033458833.db2.gz QYDZFRODNRPXAC-RRFJBIMHSA-N 1 3 324.921 3.704 20 0 DHADHO CO[C@@H]1CCC[C@@H](N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001172930276 1033473967 /nfs/dbraw/zinc/47/39/67/1033473967.db2.gz RKANRDNHLQFCCS-IAGOWNOFSA-N 1 3 322.880 3.547 20 0 DHADHO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000152384181 1033517829 /nfs/dbraw/zinc/51/78/29/1033517829.db2.gz WHOUFECTGYEPEG-KBPBESRZSA-N 1 3 324.415 3.731 20 0 DHADHO CCCOC1CCC(N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001173103150 1033539570 /nfs/dbraw/zinc/53/95/70/1033539570.db2.gz XTPTYWGGOOUAIE-UHFFFAOYSA-N 1 3 308.510 3.675 20 0 DHADHO CC[C@H]1CC[C@H](N2CCC([NH3+])(c3ccc(OC)cc3)CC2)C1 ZINC001173273954 1033642427 /nfs/dbraw/zinc/64/24/27/1033642427.db2.gz HWJYMQXOXFUMAV-RDJZCZTQSA-N 1 3 302.462 3.524 20 0 DHADHO CC(C)N1CCN(C2CC[NH+](C[C@@H](C)CC(C)(C)C)CC2)CC1 ZINC000878321180 1033657842 /nfs/dbraw/zinc/65/78/42/1033657842.db2.gz CFWJCXIAWUATMF-SFHVURJKSA-N 1 3 323.569 3.549 20 0 DHADHO C[C@@H](CN)C[N@H+](C)[C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173553580 1033770771 /nfs/dbraw/zinc/77/07/71/1033770771.db2.gz ZVGZILRUQQLIFJ-RYUDHWBXSA-N 1 3 303.277 3.841 20 0 DHADHO C[C@@H](CN)C[N@@H+](C)[C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173553580 1033770788 /nfs/dbraw/zinc/77/07/88/1033770788.db2.gz ZVGZILRUQQLIFJ-RYUDHWBXSA-N 1 3 303.277 3.841 20 0 DHADHO CC1(C)CCC[C@@H](C[NH+]2CCC(NCc3ccccc3)CC2)O1 ZINC000878668464 1033792227 /nfs/dbraw/zinc/79/22/27/1033792227.db2.gz WVVPUNXDIYRACT-IBGZPJMESA-N 1 3 316.489 3.588 20 0 DHADHO N[C@H]1CC[N@H+](Cc2ccc(F)c(-c3ccccc3)c2)CC[C@@H]1F ZINC001206211935 1033845418 /nfs/dbraw/zinc/84/54/18/1033845418.db2.gz PZVOVURHDWDTFH-OALUTQOASA-N 1 3 316.395 3.754 20 0 DHADHO N[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)CC[C@@H]1F ZINC001206211935 1033845434 /nfs/dbraw/zinc/84/54/34/1033845434.db2.gz PZVOVURHDWDTFH-OALUTQOASA-N 1 3 316.395 3.754 20 0 DHADHO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889100 1034393348 /nfs/dbraw/zinc/39/33/48/1034393348.db2.gz GCUVXHARBYDTIL-YOEHRIQHSA-N 1 3 321.534 3.963 20 0 DHADHO C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889100 1034393352 /nfs/dbraw/zinc/39/33/52/1034393352.db2.gz GCUVXHARBYDTIL-YOEHRIQHSA-N 1 3 321.534 3.963 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)C1 ZINC000481036766 1034566302 /nfs/dbraw/zinc/56/63/02/1034566302.db2.gz LHGYBANKGQTITJ-AZUAARDMSA-N 1 3 300.490 3.638 20 0 DHADHO CC(C)CN1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000186405252 1034625839 /nfs/dbraw/zinc/62/58/39/1034625839.db2.gz PBMLGVGLDJVCMS-IBGZPJMESA-N 1 3 301.478 3.643 20 0 DHADHO C[NH+](C)Cc1cccc(CNCc2cnc3c(F)cccc3c2)c1 ZINC000865407213 1034630676 /nfs/dbraw/zinc/63/06/76/1034630676.db2.gz AJPLXWDBTDZHIY-UHFFFAOYSA-N 1 3 323.415 3.725 20 0 DHADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186846595 1034667442 /nfs/dbraw/zinc/66/74/42/1034667442.db2.gz QDYNADIJCRNXBC-VRKREXBASA-N 1 3 314.395 3.651 20 0 DHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000162873221 1034851708 /nfs/dbraw/zinc/85/17/08/1034851708.db2.gz IACDKSXZFUXWNW-XHSDSOJGSA-N 1 3 324.896 3.880 20 0 DHADHO CC(C)(C)Oc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC001168366261 1035007991 /nfs/dbraw/zinc/00/79/91/1035007991.db2.gz MNHWVTUOJQZIGG-UHFFFAOYSA-N 1 3 316.489 3.828 20 0 DHADHO CC(C)[N@@H+](C)CCCN[C@H](C)Cc1ccccc1C(F)(F)F ZINC000481911685 1035032001 /nfs/dbraw/zinc/03/20/01/1035032001.db2.gz GIEXSOAQCBDPRT-CQSZACIVSA-N 1 3 316.411 3.956 20 0 DHADHO CC(C)[N@H+](C)CCCN[C@H](C)Cc1ccccc1C(F)(F)F ZINC000481911685 1035032008 /nfs/dbraw/zinc/03/20/08/1035032008.db2.gz GIEXSOAQCBDPRT-CQSZACIVSA-N 1 3 316.411 3.956 20 0 DHADHO CC(C)N(C)CCC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000481911685 1035032012 /nfs/dbraw/zinc/03/20/12/1035032012.db2.gz GIEXSOAQCBDPRT-CQSZACIVSA-N 1 3 316.411 3.956 20 0 DHADHO CC[NH+]1CCC(NC2CC(F)(c3cccc(Cl)c3)C2)CC1 ZINC000482067774 1035052006 /nfs/dbraw/zinc/05/20/06/1035052006.db2.gz QHPYYTKFCJMNBT-UHFFFAOYSA-N 1 3 310.844 3.741 20 0 DHADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1C ZINC000482330906 1035085727 /nfs/dbraw/zinc/08/57/27/1035085727.db2.gz JDVPLIUTJIEGQF-CKFHNAJUSA-N 1 3 313.489 3.911 20 0 DHADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1C ZINC000482330906 1035085735 /nfs/dbraw/zinc/08/57/35/1035085735.db2.gz JDVPLIUTJIEGQF-CKFHNAJUSA-N 1 3 313.489 3.911 20 0 DHADHO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CCC[NH+]1CCCCC1 ZINC000482687287 1035160900 /nfs/dbraw/zinc/16/09/00/1035160900.db2.gz BRGOIKDUKIGRTP-AEFFLSMTSA-N 1 3 304.453 3.880 20 0 DHADHO CCC1(N2CCC2)CC[NH+](CCCc2cccc(C)c2)CC1 ZINC001176235715 1035229084 /nfs/dbraw/zinc/22/90/84/1035229084.db2.gz YMEYIRPFJGNGLE-UHFFFAOYSA-N 1 3 300.490 3.878 20 0 DHADHO CCOc1ccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001177290740 1035360275 /nfs/dbraw/zinc/36/02/75/1035360275.db2.gz VQDRIFSANMMVQD-IYBDPMFKSA-N 1 3 308.466 3.526 20 0 DHADHO CCOc1ccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001177290740 1035360278 /nfs/dbraw/zinc/36/02/78/1035360278.db2.gz VQDRIFSANMMVQD-IYBDPMFKSA-N 1 3 308.466 3.526 20 0 DHADHO Fc1ccc2c(c1)CC[C@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195137763 1035416049 /nfs/dbraw/zinc/41/60/49/1035416049.db2.gz LXZOBRMFHFXMAG-DYESRHJHSA-N 1 3 324.443 3.925 20 0 DHADHO Fc1ccc2c(c1)CC[C@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195137763 1035416055 /nfs/dbraw/zinc/41/60/55/1035416055.db2.gz LXZOBRMFHFXMAG-DYESRHJHSA-N 1 3 324.443 3.925 20 0 DHADHO CC(C)(C[NH3+])C1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000904444424 1035416370 /nfs/dbraw/zinc/41/63/70/1035416370.db2.gz QDKHHQJBWBUMJV-UHFFFAOYSA-N 1 3 307.507 3.608 20 0 DHADHO Cc1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1Cl ZINC000195436461 1035568252 /nfs/dbraw/zinc/56/82/52/1035568252.db2.gz CBLLNEQFYPXUGG-UHFFFAOYSA-N 1 3 302.849 4.000 20 0 DHADHO CO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000494489716 1035603284 /nfs/dbraw/zinc/60/32/84/1035603284.db2.gz DWZHABNFNLEAPG-JCHJZTRSSA-N 1 3 308.510 3.577 20 0 DHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1(CC)CC ZINC000539497108 1035754275 /nfs/dbraw/zinc/75/42/75/1035754275.db2.gz QHIKCCSZRYDPFI-FGTMMUONSA-N 1 3 310.526 3.680 20 0 DHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000192795880 1035819496 /nfs/dbraw/zinc/81/94/96/1035819496.db2.gz YDIQQSBQYHRRBN-RBUKOAKNSA-N 1 3 323.569 3.597 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(Sc3ccccc3)C2)C1 ZINC001181472879 1035921778 /nfs/dbraw/zinc/92/17/78/1035921778.db2.gz VPOFWJMPTZRYOM-HJOIGYKYSA-N 1 3 304.503 3.630 20 0 DHADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc3c(cccc3O)s2)C1 ZINC001181534521 1035933860 /nfs/dbraw/zinc/93/38/60/1035933860.db2.gz MDFKLABJRNGWIJ-CZUORRHYSA-N 1 3 316.470 3.523 20 0 DHADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc3c(cccc3O)s2)C1 ZINC001181534521 1035933862 /nfs/dbraw/zinc/93/38/62/1035933862.db2.gz MDFKLABJRNGWIJ-CZUORRHYSA-N 1 3 316.470 3.523 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000540259590 1036025698 /nfs/dbraw/zinc/02/56/98/1036025698.db2.gz SAOCTDIUVXAUIX-HNAYVOBHSA-N 1 3 304.453 3.988 20 0 DHADHO C[NH+]1CCC(C)(CNCc2c(Cl)oc3ccccc32)CC1 ZINC000227328048 1036073251 /nfs/dbraw/zinc/07/32/51/1036073251.db2.gz XFWPEWIPIQJBOC-UHFFFAOYSA-N 1 3 306.837 3.908 20 0 DHADHO Clc1ccccc1C1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250194065 1036253369 /nfs/dbraw/zinc/25/33/69/1036253369.db2.gz LXQBBCMQFDVRLK-GRAKBVBRSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1ccccc1C1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250194065 1036253385 /nfs/dbraw/zinc/25/33/85/1036253385.db2.gz LXQBBCMQFDVRLK-GRAKBVBRSA-N 1 3 304.865 3.802 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774442973 1036332054 /nfs/dbraw/zinc/33/20/54/1036332054.db2.gz YMWOHPLNMIIVTE-JBLDHEPKSA-N 1 3 316.276 3.709 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774442973 1036332071 /nfs/dbraw/zinc/33/20/71/1036332071.db2.gz YMWOHPLNMIIVTE-JBLDHEPKSA-N 1 3 316.276 3.709 20 0 DHADHO C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000541588172 1036381508 /nfs/dbraw/zinc/38/15/08/1036381508.db2.gz UTGKZFYUCSKXOO-ICSRJNTNSA-N 1 3 300.490 3.673 20 0 DHADHO C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000541588172 1036381491 /nfs/dbraw/zinc/38/14/91/1036381491.db2.gz UTGKZFYUCSKXOO-ICSRJNTNSA-N 1 3 300.490 3.673 20 0 DHADHO C[C@@H](CC[NH2+]CCCc1c(Cl)cccc1Cl)N(C)C ZINC001183105202 1036523138 /nfs/dbraw/zinc/52/31/38/1036523138.db2.gz ZYWOEFPIKODYIR-LBPRGKRZSA-N 1 3 303.277 3.856 20 0 DHADHO Cc1cc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)sc1Br ZINC000491549420 1036600570 /nfs/dbraw/zinc/60/05/70/1036600570.db2.gz VOFTXWSYQVJEST-GXSJLCMTSA-N 1 3 319.312 3.667 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1CC1(C)C ZINC000487273884 1036630599 /nfs/dbraw/zinc/63/05/99/1036630599.db2.gz NTKKRMSGQUIRLN-YTQUADARSA-N 1 3 300.490 3.575 20 0 DHADHO CC1CC[NH+](CC[C@H]2CCCN2CCCOC(C)(C)C)CC1 ZINC001196936493 1036652473 /nfs/dbraw/zinc/65/24/73/1036652473.db2.gz TUHOBCDQGLZMDO-GOSISDBHSA-N 1 3 310.526 3.778 20 0 DHADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCCOC(C)(C)C)CC1 ZINC001196936493 1036652481 /nfs/dbraw/zinc/65/24/81/1036652481.db2.gz TUHOBCDQGLZMDO-GOSISDBHSA-N 1 3 310.526 3.778 20 0 DHADHO CC1CCN(CC[C@H]2CCC[N@H+]2CCCOC(C)(C)C)CC1 ZINC001196936493 1036652488 /nfs/dbraw/zinc/65/24/88/1036652488.db2.gz TUHOBCDQGLZMDO-GOSISDBHSA-N 1 3 310.526 3.778 20 0 DHADHO C[C@@H]1C[C@H](NC/C=C\c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000487304911 1036655329 /nfs/dbraw/zinc/65/53/29/1036655329.db2.gz BCYDOAXNNSYKDX-BSPJPZBESA-N 1 3 321.468 3.738 20 0 DHADHO C[C@@H]1C[C@H](NC/C=C\c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000487304911 1036655313 /nfs/dbraw/zinc/65/53/13/1036655313.db2.gz BCYDOAXNNSYKDX-BSPJPZBESA-N 1 3 321.468 3.738 20 0 DHADHO CCN(CC)CC[C@H]([NH2+][C@H](C)C[C@H]1CCOC1)c1ccccc1 ZINC001184339706 1036819310 /nfs/dbraw/zinc/81/93/10/1036819310.db2.gz RTUCSZKEIXIPSG-GGPKGHCWSA-N 1 3 318.505 3.864 20 0 DHADHO c1ccc(C[N@H+]2CC[C@@H](CN[C@H]3CCc4ccccc43)C2)cc1 ZINC000309696548 1037173898 /nfs/dbraw/zinc/17/38/98/1037173898.db2.gz FEHMCYWYSOPNOL-RXVVDRJESA-N 1 3 306.453 3.786 20 0 DHADHO c1ccc(C[N@@H+]2CC[C@@H](CN[C@H]3CCc4ccccc43)C2)cc1 ZINC000309696548 1037173904 /nfs/dbraw/zinc/17/39/04/1037173904.db2.gz FEHMCYWYSOPNOL-RXVVDRJESA-N 1 3 306.453 3.786 20 0 DHADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)[C@H]1C ZINC000309761535 1037178997 /nfs/dbraw/zinc/17/89/97/1037178997.db2.gz DTMMDIWOVIJOEQ-BWPNAZKDSA-N 1 3 300.490 3.923 20 0 DHADHO COc1cc(C[NH2+]CCCN2CCCCC2)cc2ccccc21 ZINC001199038691 1037187150 /nfs/dbraw/zinc/18/71/50/1037187150.db2.gz XCWXIMBEULTBJL-UHFFFAOYSA-N 1 3 312.457 3.814 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183726710 1037703807 /nfs/dbraw/zinc/70/38/07/1037703807.db2.gz ZQLCTYGSVGJFFC-PFSRBDOWSA-N 1 3 306.416 3.818 20 0 DHADHO C[C@H](NCCCC[NH+](C)C)c1ncc(C(F)(F)F)cc1Cl ZINC000924855486 1037762430 /nfs/dbraw/zinc/76/24/30/1037762430.db2.gz QXJGRTOJKFVACH-JTQLQIEISA-N 1 3 323.790 3.746 20 0 DHADHO Cc1ccc(C[NH+]2C[C@H]3CN(CCc4ccccc4)C[C@@H]3C2)cc1 ZINC001201597037 1037771314 /nfs/dbraw/zinc/77/13/14/1037771314.db2.gz RETMQRFADQKEHQ-FGZHOGPDSA-N 1 3 320.480 3.601 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185518911 1037812363 /nfs/dbraw/zinc/81/23/63/1037812363.db2.gz JESSWPLEZJCMTL-SLTAFYQDSA-N 1 3 306.416 3.629 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185518911 1037812390 /nfs/dbraw/zinc/81/23/90/1037812390.db2.gz JESSWPLEZJCMTL-SLTAFYQDSA-N 1 3 306.416 3.629 20 0 DHADHO CC(C)CC[N@@H+]1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC001201627272 1037822906 /nfs/dbraw/zinc/82/29/06/1037822906.db2.gz RMTDWPIWPBMIEY-MTQWCTHYSA-N 1 3 302.506 3.928 20 0 DHADHO CC(C)CC[N@H+]1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC001201627272 1037822913 /nfs/dbraw/zinc/82/29/13/1037822913.db2.gz RMTDWPIWPBMIEY-MTQWCTHYSA-N 1 3 302.506 3.928 20 0 DHADHO COCC[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000124474792 1037902030 /nfs/dbraw/zinc/90/20/30/1037902030.db2.gz QAUBVSRSCBODEJ-HNNXBMFYSA-N 1 3 324.896 3.567 20 0 DHADHO CCCN1CC[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000186603239 1037918517 /nfs/dbraw/zinc/91/85/17/1037918517.db2.gz KEOBUBYEPUHLMP-SLTAFYQDSA-N 1 3 306.416 3.677 20 0 DHADHO CCCN1CC[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000186603221 1037919548 /nfs/dbraw/zinc/91/95/48/1037919548.db2.gz KEOBUBYEPUHLMP-SHARSMKWSA-N 1 3 306.416 3.677 20 0 DHADHO CN1CCCC[C@@H]1CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494456739 1038107661 /nfs/dbraw/zinc/10/76/61/1038107661.db2.gz YBONHWOZUKALCD-SQNIBIBYSA-N 1 3 322.880 3.634 20 0 DHADHO Cc1cccc(OCCC[NH2+]C2CCN(C(C)(C)C)CC2)c1C ZINC000494486739 1038121096 /nfs/dbraw/zinc/12/10/96/1038121096.db2.gz PJPRQRVSYJKYDX-UHFFFAOYSA-N 1 3 318.505 3.925 20 0 DHADHO CCC(CC)N1CCC([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168413798 1038860249 /nfs/dbraw/zinc/86/02/49/1038860249.db2.gz AUEFSJHRWUPXFY-LJQANCHMSA-N 1 3 318.480 3.926 20 0 DHADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cn2ccccc2n1 ZINC000573386333 1038931107 /nfs/dbraw/zinc/93/11/07/1038931107.db2.gz ZWDFWDJOIRTPQK-SJORKVTESA-N 1 3 314.477 3.640 20 0 DHADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cn2ccccc2n1 ZINC000573386333 1038931127 /nfs/dbraw/zinc/93/11/27/1038931127.db2.gz ZWDFWDJOIRTPQK-SJORKVTESA-N 1 3 314.477 3.640 20 0 DHADHO COc1cccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1F ZINC000669679781 1038971430 /nfs/dbraw/zinc/97/14/30/1038971430.db2.gz PMYUDDQSFPJGMO-HZPDHXFCSA-N 1 3 322.468 3.682 20 0 DHADHO CN1CCC2(CC1)C[C@H]([NH2+]C1CC(C)(C)C1)c1ccccc1O2 ZINC000573982833 1039191078 /nfs/dbraw/zinc/19/10/78/1039191078.db2.gz WEJGOSRNJXDVLC-KRWDZBQOSA-N 1 3 314.473 3.753 20 0 DHADHO CC(C)[NH+]1CCC(CN(C)Cc2ccc(C(F)(F)F)o2)CC1 ZINC001232443608 1039472084 /nfs/dbraw/zinc/47/20/84/1039472084.db2.gz DXYFZFQZYYSXQE-UHFFFAOYSA-N 1 3 318.383 3.851 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168405666 1039912432 /nfs/dbraw/zinc/91/24/32/1039912432.db2.gz TVLAFNCIQNBBKV-DNVCBOLYSA-N 1 3 304.453 3.537 20 0 DHADHO c1ccc2cc(CCN3CC[C@@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000606903211 1040030925 /nfs/dbraw/zinc/03/09/25/1040030925.db2.gz ZPXZKAGHIWTKFV-IBGZPJMESA-N 1 3 308.469 3.800 20 0 DHADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000236823375 202027061 /nfs/dbraw/zinc/02/70/61/202027061.db2.gz HKQDYKHQNXDWCZ-FQEVSTJZSA-N 1 3 324.468 3.697 20 0 DHADHO C[C@@H](NCC1CC[NH+](Cc2cccs2)CC1)c1nccs1 ZINC000093403534 193244799 /nfs/dbraw/zinc/24/47/99/193244799.db2.gz IDNBARLXIGUZTP-CYBMUJFWSA-N 1 3 321.515 3.767 20 0 DHADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000274972623 130278527 /nfs/dbraw/zinc/27/85/27/130278527.db2.gz YFDLWVRFXAWJHM-HUUCEWRRSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000274972623 130278529 /nfs/dbraw/zinc/27/85/29/130278529.db2.gz YFDLWVRFXAWJHM-HUUCEWRRSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(Cl)cn1 ZINC000274972609 130279417 /nfs/dbraw/zinc/27/94/17/130279417.db2.gz YFDLWVRFXAWJHM-GJZGRUSLSA-N 1 3 309.885 3.898 20 0 DHADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(Cl)cn1 ZINC000274972609 130279419 /nfs/dbraw/zinc/27/94/19/130279419.db2.gz YFDLWVRFXAWJHM-GJZGRUSLSA-N 1 3 309.885 3.898 20 0 DHADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)CC1 ZINC000284443719 131082066 /nfs/dbraw/zinc/08/20/66/131082066.db2.gz SZDKORBXKYMUOA-LJQANCHMSA-N 1 3 314.473 3.582 20 0 DHADHO Clc1cccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000366661595 131399533 /nfs/dbraw/zinc/39/95/33/131399533.db2.gz DFSTWUDCDJORPA-DKIMLUQUSA-N 1 3 304.865 3.802 20 0 DHADHO Clc1cccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000366661595 131399534 /nfs/dbraw/zinc/39/95/34/131399534.db2.gz DFSTWUDCDJORPA-DKIMLUQUSA-N 1 3 304.865 3.802 20 0 DHADHO C[C@H]([NH2+]CCCC(C)(F)F)c1ccc(OCCN(C)C)cc1 ZINC000297275626 132007288 /nfs/dbraw/zinc/00/72/88/132007288.db2.gz KZCXVWJXUGYWNL-AWEZNQCLSA-N 1 3 314.420 3.713 20 0 DHADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298242650 132052185 /nfs/dbraw/zinc/05/21/85/132052185.db2.gz CMJLTNYYMDPMKE-HXUWFJFHSA-N 1 3 307.441 3.636 20 0 DHADHO CC[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298507489 132065835 /nfs/dbraw/zinc/06/58/35/132065835.db2.gz QSSKLIMYFJEHFD-KRWDZBQOSA-N 1 3 309.457 3.834 20 0 DHADHO CN(CCSCC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000340703407 132165027 /nfs/dbraw/zinc/16/50/27/132165027.db2.gz DJUFLBAANOKRRL-SFHVURJKSA-N 1 3 306.519 3.726 20 0 DHADHO CN(CCSCC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000340703407 132165029 /nfs/dbraw/zinc/16/50/29/132165029.db2.gz DJUFLBAANOKRRL-SFHVURJKSA-N 1 3 306.519 3.726 20 0 DHADHO CN(CCSCC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000340703402 132165423 /nfs/dbraw/zinc/16/54/23/132165423.db2.gz DJUFLBAANOKRRL-GOSISDBHSA-N 1 3 306.519 3.726 20 0 DHADHO CN(CCSCC[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000340703402 132165424 /nfs/dbraw/zinc/16/54/24/132165424.db2.gz DJUFLBAANOKRRL-GOSISDBHSA-N 1 3 306.519 3.726 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000570826327 332824524 /nfs/dbraw/zinc/82/45/24/332824524.db2.gz AGPUYLQTRHUVKS-IOASZLSFSA-N 1 3 310.388 3.525 20 0 DHADHO Clc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)s1 ZINC000071307509 331666800 /nfs/dbraw/zinc/66/68/00/331666800.db2.gz QIEZPNMTWXQCFU-UHFFFAOYSA-N 1 3 307.850 3.555 20 0 DHADHO COc1ccc(CNCCCC[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000518267925 332003250 /nfs/dbraw/zinc/00/32/50/332003250.db2.gz XHNLPPPGMAEXQM-UHFFFAOYSA-N 1 3 324.896 3.950 20 0 DHADHO CC(C)COc1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000518271224 332004139 /nfs/dbraw/zinc/00/41/39/332004139.db2.gz NXDFNSWZACVNPU-UHFFFAOYSA-N 1 3 304.478 3.687 20 0 DHADHO NC[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000410075136 332086139 /nfs/dbraw/zinc/08/61/39/332086139.db2.gz PPZKAOCYZSFIPO-CTNGQTDRSA-N 1 3 324.468 3.520 20 0 DHADHO NC[C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000410075136 332086140 /nfs/dbraw/zinc/08/61/40/332086140.db2.gz PPZKAOCYZSFIPO-CTNGQTDRSA-N 1 3 324.468 3.520 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000091959907 332116063 /nfs/dbraw/zinc/11/60/63/332116063.db2.gz DKAVZMGNKOCYHM-SLEUVZQESA-N 1 3 311.267 3.582 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000091959907 332116064 /nfs/dbraw/zinc/11/60/64/332116064.db2.gz DKAVZMGNKOCYHM-SLEUVZQESA-N 1 3 311.267 3.582 20 0 DHADHO CCN(C)C[C@@H]1CC[N@H+](Cc2ccc3cc(OC)ccc3c2)C1 ZINC000093770055 332142201 /nfs/dbraw/zinc/14/22/01/332142201.db2.gz KFKGPKQQCUTKRI-KRWDZBQOSA-N 1 3 312.457 3.622 20 0 DHADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2ccc3cc(OC)ccc3c2)C1 ZINC000093770055 332142203 /nfs/dbraw/zinc/14/22/03/332142203.db2.gz KFKGPKQQCUTKRI-KRWDZBQOSA-N 1 3 312.457 3.622 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CCO)CCCC2)CC1 ZINC000363758246 332241753 /nfs/dbraw/zinc/24/17/53/332241753.db2.gz GVMSTIJDUFJVTI-IEBWSBKVSA-N 1 3 322.537 3.562 20 0 DHADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC2(CCO)CCCC2)CC1 ZINC000363758246 332241754 /nfs/dbraw/zinc/24/17/54/332241754.db2.gz GVMSTIJDUFJVTI-IEBWSBKVSA-N 1 3 322.537 3.562 20 0 DHADHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000537971957 332252958 /nfs/dbraw/zinc/25/29/58/332252958.db2.gz ODNGHNJMUBWZFZ-QRVBRYPASA-N 1 3 318.505 3.843 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2cc3ccccc3s2)[C@@H]2CCC[C@@H]21 ZINC000559878514 332288627 /nfs/dbraw/zinc/28/86/27/332288627.db2.gz SUODTMPWGWONAK-ULQDDVLXSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cc3ccccc3s2)[C@@H]2CCC[C@@H]21 ZINC000559878514 332288629 /nfs/dbraw/zinc/28/86/29/332288629.db2.gz SUODTMPWGWONAK-ULQDDVLXSA-N 1 3 300.471 3.864 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cc3ccccc3s2)[C@@H]2CCC[C@@H]21 ZINC000559878514 332288631 /nfs/dbraw/zinc/28/86/31/332288631.db2.gz SUODTMPWGWONAK-ULQDDVLXSA-N 1 3 300.471 3.864 20 0 DHADHO c1c2ccccc2sc1CCNC1CC[NH+](CC2CC2)CC1 ZINC000559892054 332290232 /nfs/dbraw/zinc/29/02/32/332290232.db2.gz VGQZDARXZBTXEM-UHFFFAOYSA-N 1 3 314.498 3.908 20 0 DHADHO C[NH+](C)C1CCC(NCc2c(Cl)cccc2Cl)CC1 ZINC000560528762 332352053 /nfs/dbraw/zinc/35/20/53/332352053.db2.gz QURVBSBNIBULBI-UHFFFAOYSA-N 1 3 301.261 3.956 20 0 DHADHO c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000261679125 332640496 /nfs/dbraw/zinc/64/04/96/332640496.db2.gz HVZRBHVIAPTABV-DFQSSKMNSA-N 1 3 311.473 3.611 20 0 DHADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Oc2cccnc2)cc1 ZINC000570227213 332729014 /nfs/dbraw/zinc/72/90/14/332729014.db2.gz ZFZCIAYFCHGLKI-XIRDDKMYSA-N 1 3 311.429 3.794 20 0 DHADHO C[NH+]1CCC(CCNCc2ccc(CSC(F)F)o2)CC1 ZINC000105454605 332990295 /nfs/dbraw/zinc/99/02/95/332990295.db2.gz KBDVGDVBWKXGOD-UHFFFAOYSA-N 1 3 318.433 3.557 20 0 DHADHO CN1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189179648 333065670 /nfs/dbraw/zinc/06/56/70/333065670.db2.gz USAWXFNFBREVGG-NSHDSACASA-N 1 3 320.786 3.790 20 0 DHADHO COc1cccc2cc([C@@H](C)[NH2+]CCCN3CCCCC3)oc21 ZINC000390396674 333276593 /nfs/dbraw/zinc/27/65/93/333276593.db2.gz GEECHYDLHYKHAW-OAHLLOKOSA-N 1 3 316.445 3.968 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2cccc(Cl)c2)C[C@H]1C ZINC000531378375 333347288 /nfs/dbraw/zinc/34/72/88/333347288.db2.gz FBZXAOJFBLABCB-NVXWUHKLSA-N 1 3 324.896 3.914 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCCOc2cccc(Cl)c2)C[C@H]1C ZINC000531378375 333347290 /nfs/dbraw/zinc/34/72/90/333347290.db2.gz FBZXAOJFBLABCB-NVXWUHKLSA-N 1 3 324.896 3.914 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2cccc(Cl)c2)C[C@@H]1C ZINC000531378374 333347354 /nfs/dbraw/zinc/34/73/54/333347354.db2.gz FBZXAOJFBLABCB-DOTOQJQBSA-N 1 3 324.896 3.914 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)CCCOc2cccc(Cl)c2)C[C@@H]1C ZINC000531378374 333347355 /nfs/dbraw/zinc/34/73/55/333347355.db2.gz FBZXAOJFBLABCB-DOTOQJQBSA-N 1 3 324.896 3.914 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)C1 ZINC000187023567 333384183 /nfs/dbraw/zinc/38/41/83/333384183.db2.gz BVRPCOOEWGGILA-DOTOQJQBSA-N 1 3 304.503 3.772 20 0 DHADHO C[NH2+]CC1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000063165821 333445991 /nfs/dbraw/zinc/44/59/91/333445991.db2.gz IWXKFLQLKOSSOC-UHFFFAOYSA-N 1 3 308.878 3.986 20 0 DHADHO CCOc1cccc2cc([C@@H](C)NCC3=CC[N@H+](C)CC3)oc21 ZINC000271820663 334027352 /nfs/dbraw/zinc/02/73/52/334027352.db2.gz CFYRUVRDZZKYBS-CQSZACIVSA-N 1 3 314.429 3.744 20 0 DHADHO CCOc1cccc2cc([C@@H](C)NCC3=CC[N@@H+](C)CC3)oc21 ZINC000271820663 334027353 /nfs/dbraw/zinc/02/73/53/334027353.db2.gz CFYRUVRDZZKYBS-CQSZACIVSA-N 1 3 314.429 3.744 20 0 DHADHO COc1ccccc1-c1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000414656799 334057791 /nfs/dbraw/zinc/05/77/91/334057791.db2.gz GDKLVPUEGUNLOP-WBVHZDCISA-N 1 3 310.441 3.531 20 0 DHADHO COc1ccccc1-c1ccc(C[N@@H+]2C[C@H](CN)C[C@H]2C)cc1 ZINC000414656799 334057793 /nfs/dbraw/zinc/05/77/93/334057793.db2.gz GDKLVPUEGUNLOP-WBVHZDCISA-N 1 3 310.441 3.531 20 0 DHADHO COc1ccccc1-c1ccc(C[N@H+]2C[C@H](CN)C[C@H]2C)cc1 ZINC000414656799 334057794 /nfs/dbraw/zinc/05/77/94/334057794.db2.gz GDKLVPUEGUNLOP-WBVHZDCISA-N 1 3 310.441 3.531 20 0 DHADHO COc1ccccc1-c1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000414656797 334057942 /nfs/dbraw/zinc/05/79/42/334057942.db2.gz GDKLVPUEGUNLOP-RDJZCZTQSA-N 1 3 310.441 3.531 20 0 DHADHO COc1ccccc1-c1ccc(C[N@@H+]2C[C@H](CN)C[C@@H]2C)cc1 ZINC000414656797 334057943 /nfs/dbraw/zinc/05/79/43/334057943.db2.gz GDKLVPUEGUNLOP-RDJZCZTQSA-N 1 3 310.441 3.531 20 0 DHADHO COc1ccccc1-c1ccc(C[N@H+]2C[C@H](CN)C[C@@H]2C)cc1 ZINC000414656797 334057944 /nfs/dbraw/zinc/05/79/44/334057944.db2.gz GDKLVPUEGUNLOP-RDJZCZTQSA-N 1 3 310.441 3.531 20 0 DHADHO c1ccc(CN(CC2CCCCCC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000414713108 334072951 /nfs/dbraw/zinc/07/29/51/334072951.db2.gz JZNLSHGYPULVPW-FQEVSTJZSA-N 1 3 315.505 3.996 20 0 DHADHO CCOc1c(Cl)cccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781489 334093550 /nfs/dbraw/zinc/09/35/50/334093550.db2.gz MZZGQXMCMVRMHE-GJZGRUSLSA-N 1 3 322.880 3.560 20 0 DHADHO FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000414783789 334094430 /nfs/dbraw/zinc/09/44/30/334094430.db2.gz REPJLCKRFJAEJB-HOTGVXAUSA-N 1 3 312.379 3.683 20 0 DHADHO CCC([NH3+])(CC)CNC[C@@H](C)c1cccc(Br)c1 ZINC000414802991 334102466 /nfs/dbraw/zinc/10/24/66/334102466.db2.gz CHIVZWHDILOAGL-GFCCVEGCSA-N 1 3 313.283 3.660 20 0 DHADHO Clc1ccc([C@@H]2CCC[C@@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414840161 334112381 /nfs/dbraw/zinc/11/23/81/334112381.db2.gz XYUCCAKUDATMRD-MPBYHJMHSA-N 1 3 304.865 3.849 20 0 DHADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414848900 334121763 /nfs/dbraw/zinc/12/17/63/334121763.db2.gz XOZKTSLQOJWRBO-VBNZEHGJSA-N 1 3 314.395 3.787 20 0 DHADHO C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414848900 334121764 /nfs/dbraw/zinc/12/17/64/334121764.db2.gz XOZKTSLQOJWRBO-VBNZEHGJSA-N 1 3 314.395 3.787 20 0 DHADHO [NH3+][C@H](CN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000414894558 334159415 /nfs/dbraw/zinc/15/94/15/334159415.db2.gz TTYIGQCXMNSPIE-OAGGEKHMSA-N 1 3 312.379 3.668 20 0 DHADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)CCN1 ZINC000414943972 334203373 /nfs/dbraw/zinc/20/33/73/334203373.db2.gz FZYMWDOHUKMWKC-IUODEOHRSA-N 1 3 304.434 3.784 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414946004 334205161 /nfs/dbraw/zinc/20/51/61/334205161.db2.gz JDOCXQVVKUDOHT-IJLUTSLNSA-N 1 3 301.261 3.655 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414946004 334205162 /nfs/dbraw/zinc/20/51/62/334205162.db2.gz JDOCXQVVKUDOHT-IJLUTSLNSA-N 1 3 301.261 3.655 20 0 DHADHO Cc1ccc(-c2nc(CNCCC[C@@H]3CCC[NH2+]3)cs2)cc1 ZINC000414969086 334215337 /nfs/dbraw/zinc/21/53/37/334215337.db2.gz IPUTWXWMNNFUPY-MRXNPFEDSA-N 1 3 315.486 3.740 20 0 DHADHO c1ccc(C(CC[NH2+][C@@H]2CCCNCC2)c2ccccc2)cc1 ZINC000415086208 334274985 /nfs/dbraw/zinc/27/49/85/334274985.db2.gz RQRWDYGDBLEFTN-HXUWFJFHSA-N 1 3 308.469 3.940 20 0 DHADHO c1ccc(C(CCN[C@@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000415086208 334274987 /nfs/dbraw/zinc/27/49/87/334274987.db2.gz RQRWDYGDBLEFTN-HXUWFJFHSA-N 1 3 308.469 3.940 20 0 DHADHO Cc1ccc(-c2nc(CN[C@H](C)CCCC[NH3+])cs2)cc1 ZINC000415016060 334258866 /nfs/dbraw/zinc/25/88/66/334258866.db2.gz PAGKWIHVVFFGDC-CQSZACIVSA-N 1 3 303.475 3.726 20 0 DHADHO COc1ccc2cc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)ccc2c1 ZINC000415042063 334260956 /nfs/dbraw/zinc/26/09/56/334260956.db2.gz MAFPDDHKBATDTL-PZJWPPBQSA-N 1 3 324.468 3.812 20 0 DHADHO Cc1cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2cccnc12 ZINC000415058694 334261885 /nfs/dbraw/zinc/26/18/85/334261885.db2.gz WAQSABXFNQTXTA-MOPGFXCFSA-N 1 3 309.457 3.507 20 0 DHADHO CCC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccsc1 ZINC000187691955 334268217 /nfs/dbraw/zinc/26/82/17/334268217.db2.gz SHVAKOVSXZWUHL-QGZVFWFLSA-N 1 3 310.507 3.680 20 0 DHADHO CC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1C ZINC000415077286 334268486 /nfs/dbraw/zinc/26/84/86/334268486.db2.gz HGTODWHNKIAKEL-AKHDSKFASA-N 1 3 316.489 3.663 20 0 DHADHO C[C@@H](CNC[C@@]1(C)CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415089815 334279865 /nfs/dbraw/zinc/27/98/65/334279865.db2.gz YDQNKXWGFQJBOV-NHYWBVRUSA-N 1 3 301.261 3.686 20 0 DHADHO c1ccc(C[C@H](C[NH2+][C@H]2CCCNCC2)c2ccccc2)cc1 ZINC000415113686 334282189 /nfs/dbraw/zinc/28/21/89/334282189.db2.gz FDZNYHSOASPABU-RTWAWAEBSA-N 1 3 308.469 3.745 20 0 DHADHO CC(C)c1nc(CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)cs1 ZINC000415121724 334284503 /nfs/dbraw/zinc/28/45/03/334284503.db2.gz ZJLVZPIJCHMYQZ-HUUCEWRRSA-N 1 3 309.523 3.709 20 0 DHADHO CC[C@@H](C)[C@H](C)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000531949498 334303674 /nfs/dbraw/zinc/30/36/74/334303674.db2.gz DWMBNPHAMPVADQ-SJORKVTESA-N 1 3 318.505 3.931 20 0 DHADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000534660086 334315911 /nfs/dbraw/zinc/31/59/11/334315911.db2.gz RQNHUXBABIAOIX-SJLPKXTDSA-N 1 3 322.880 3.668 20 0 DHADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000534660086 334315913 /nfs/dbraw/zinc/31/59/13/334315913.db2.gz RQNHUXBABIAOIX-SJLPKXTDSA-N 1 3 322.880 3.668 20 0 DHADHO Cc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000535152495 334372974 /nfs/dbraw/zinc/37/29/74/334372974.db2.gz FWVLJMWRHWQONW-QGZVFWFLSA-N 1 3 309.457 3.711 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342812184 334579601 /nfs/dbraw/zinc/57/96/01/334579601.db2.gz YZZCWXQCIBHCFE-OXQOHEQNSA-N 1 3 316.489 3.828 20 0 DHADHO CCc1cc(N2CCC([NH+]3CCCC3)CC2)c2ccccc2n1 ZINC000123855283 334739355 /nfs/dbraw/zinc/73/93/55/334739355.db2.gz ARQRDAWIYJARIT-UHFFFAOYSA-N 1 3 309.457 3.862 20 0 DHADHO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000345153259 335302003 /nfs/dbraw/zinc/30/20/03/335302003.db2.gz BXQMCXPLZHNMOM-IUODEOHRSA-N 1 3 300.393 3.669 20 0 DHADHO CCN(Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345191165 335306422 /nfs/dbraw/zinc/30/64/22/335306422.db2.gz QXKWCCQCDXTWHA-HNNXBMFYSA-N 1 3 300.368 3.669 20 0 DHADHO COCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000367086627 335660399 /nfs/dbraw/zinc/66/03/99/335660399.db2.gz MBDLKPRBLVDPOE-QUCCMNQESA-N 1 3 322.537 3.826 20 0 DHADHO [NH3+]Cc1ccc(CNCc2ccc(C(F)(F)F)s2)cc1 ZINC000518978206 335760027 /nfs/dbraw/zinc/76/00/27/335760027.db2.gz HNLJMMBBAUMFGY-UHFFFAOYSA-N 1 3 300.349 3.515 20 0 DHADHO C[C@H]([NH2+]CC1CCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000532188636 335912640 /nfs/dbraw/zinc/91/26/40/335912640.db2.gz VCULVEDSZPMOOB-INIZCTEOSA-N 1 3 304.478 3.858 20 0 DHADHO c1ccc([C@@H]2C[C@@H]2C[NH2+]CC2CCN(c3ccncc3)CC2)cc1 ZINC000417955215 336031175 /nfs/dbraw/zinc/03/11/75/336031175.db2.gz CUXKTWKSIOISGA-CTNGQTDRSA-N 1 3 321.468 3.691 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000333342015 336202161 /nfs/dbraw/zinc/20/21/61/336202161.db2.gz YHTIGSRUVJJYOR-VSZNYVQBSA-N 1 3 301.478 3.523 20 0 DHADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCC3(F)CC3)cc2)C1 ZINC000526974751 336277130 /nfs/dbraw/zinc/27/71/30/336277130.db2.gz AQKJJUCJQHJZFD-HOTGVXAUSA-N 1 3 304.453 3.756 20 0 DHADHO Cc1ccc2nccc(N3CCC[C@@H]([NH+]4CCCC4)CC3)c2c1 ZINC000302178960 336352629 /nfs/dbraw/zinc/35/26/29/336352629.db2.gz YLBHUBWQXFNZJG-QGZVFWFLSA-N 1 3 309.457 3.998 20 0 DHADHO Cc1cc(NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cc[nH+]1 ZINC000302545145 336361369 /nfs/dbraw/zinc/36/13/69/336361369.db2.gz GSGIQRZHGXEEMK-YOEHRIQHSA-N 1 3 301.459 3.947 20 0 DHADHO C[C@H](c1ccccc1Br)N1CCC([C@H](C)[NH3+])CC1 ZINC000110643973 336397065 /nfs/dbraw/zinc/39/70/65/336397065.db2.gz RBTZYYQXDSCEOX-NWDGAFQWSA-N 1 3 311.267 3.569 20 0 DHADHO COCC(C)(C)CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000367487808 336823755 /nfs/dbraw/zinc/82/37/55/336823755.db2.gz BMTAXXUFKRNSKX-UHFFFAOYSA-N 1 3 310.526 3.826 20 0 DHADHO C[C@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCO[C@H]1C1CC1 ZINC000372097500 336922091 /nfs/dbraw/zinc/92/20/91/336922091.db2.gz ZUUSHDFMSYNQBZ-VQTJNVASSA-N 1 3 320.521 3.578 20 0 DHADHO [NH3+]Cc1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000582421204 336971904 /nfs/dbraw/zinc/97/19/04/336971904.db2.gz FBWNDEQCWMPHIA-QGZVFWFLSA-N 1 3 316.832 3.802 20 0 DHADHO Fc1cccc(C2CC(NC3CC([NH+]4CCCCC4)C3)C2)c1 ZINC000376029769 337025555 /nfs/dbraw/zinc/02/55/55/337025555.db2.gz QEXVVPYRDADGNJ-UHFFFAOYSA-N 1 3 302.437 3.678 20 0 DHADHO C[C@@H](Cc1ccc(Cl)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000376032017 337025646 /nfs/dbraw/zinc/02/56/46/337025646.db2.gz YCLWKEAFZGBNPV-NNGSBXSVSA-N 1 3 306.881 3.878 20 0 DHADHO C[C@H](CCNC1CC(c2ccccn2)C1)[N@H+](C)Cc1ccccc1 ZINC000377653408 337057741 /nfs/dbraw/zinc/05/77/41/337057741.db2.gz RSHVREFGLWLNSQ-QHGAOEGBSA-N 1 3 323.484 3.828 20 0 DHADHO C[C@H](CCNC1CC(c2ccccn2)C1)[N@@H+](C)Cc1ccccc1 ZINC000377653408 337057742 /nfs/dbraw/zinc/05/77/42/337057742.db2.gz RSHVREFGLWLNSQ-QHGAOEGBSA-N 1 3 323.484 3.828 20 0 DHADHO CC(C)C[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)CCO1 ZINC000378473147 337073626 /nfs/dbraw/zinc/07/36/26/337073626.db2.gz HWEKCXOFCWSGLS-HKUYNNGSSA-N 1 3 308.510 3.577 20 0 DHADHO C[C@@H]([NH2+]CCCN1CCCC1)c1cc(Br)cs1 ZINC000193951148 337080794 /nfs/dbraw/zinc/08/07/94/337080794.db2.gz BVFBTHKOPNUFNV-LLVKDONJSA-N 1 3 317.296 3.647 20 0 DHADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cc(Br)cs1 ZINC000193936973 337080808 /nfs/dbraw/zinc/08/08/08/337080808.db2.gz ZOIFHICAHYOIPJ-JTQLQIEISA-N 1 3 319.312 3.749 20 0 DHADHO Cc1cc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(C)s1 ZINC000178034412 337159988 /nfs/dbraw/zinc/15/99/88/337159988.db2.gz PXHBJUBTPCZTIH-IIAWOOMASA-N 1 3 324.534 3.905 20 0 DHADHO Cc1ccsc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178036855 337160022 /nfs/dbraw/zinc/16/00/22/337160022.db2.gz NWZPCMBSFAYVDN-BZUAXINKSA-N 1 3 310.507 3.597 20 0 DHADHO CC(C)n1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000180039160 337173377 /nfs/dbraw/zinc/17/33/77/337173377.db2.gz OMRYTSCOUZMFEI-UHFFFAOYSA-N 1 3 318.509 3.552 20 0 DHADHO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C12CCC2 ZINC000183198543 337190296 /nfs/dbraw/zinc/19/02/96/337190296.db2.gz XCTLADPRJCRXPL-ISARSNTHSA-N 1 3 320.521 3.577 20 0 DHADHO C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583208732 337272343 /nfs/dbraw/zinc/27/23/43/337272343.db2.gz NSVCIPWDABNQBC-ZDUSSCGKSA-N 1 3 316.395 3.804 20 0 DHADHO [NH3+]CC1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000583752646 337329522 /nfs/dbraw/zinc/32/95/22/337329522.db2.gz VCISGLXOIOCOIJ-UHFFFAOYSA-N 1 3 301.261 3.597 20 0 DHADHO CC[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccccc1OC ZINC000123708121 337400725 /nfs/dbraw/zinc/40/07/25/337400725.db2.gz PFSTUFJYMWNYBL-IBGZPJMESA-N 1 3 312.457 3.998 20 0 DHADHO COc1ccc([C@H](CN)C[NH2+][C@H](c2ccccc2)C(C)C)cc1 ZINC000420377523 337500341 /nfs/dbraw/zinc/50/03/41/337500341.db2.gz SFEXIMUWDCKUGR-QUCCMNQESA-N 1 3 312.457 3.724 20 0 DHADHO Fc1ccc(SCCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422757111 337685300 /nfs/dbraw/zinc/68/53/00/337685300.db2.gz JMHCEZBPVAPOPU-KSZLIROESA-N 1 3 322.493 3.818 20 0 DHADHO c1sc2ccccc2c1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422763430 337685523 /nfs/dbraw/zinc/68/55/23/337685523.db2.gz OPNKBILBKMHJKB-YESZJQIVSA-N 1 3 300.471 3.912 20 0 DHADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772408 337685851 /nfs/dbraw/zinc/68/58/51/337685851.db2.gz YHZCYICHDMIJSB-DHSIGJKJSA-N 1 3 314.454 3.655 20 0 DHADHO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000422820395 337687988 /nfs/dbraw/zinc/68/79/88/337687988.db2.gz QJEPSIKNIDBCHJ-IGKNDFSCSA-N 1 3 310.551 3.951 20 0 DHADHO CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CCCC1 ZINC000422817357 337688136 /nfs/dbraw/zinc/68/81/36/337688136.db2.gz CXTMBNOWINAARP-UAFMIMERSA-N 1 3 322.537 3.872 20 0 DHADHO COc1ccc(-c2csc(CN[C@@H](C)C[C@H](C)[NH3+])c2)cc1 ZINC000422825053 337688312 /nfs/dbraw/zinc/68/83/12/337688312.db2.gz PBDVVWWYYASXNT-STQMWFEESA-N 1 3 304.459 3.639 20 0 DHADHO CC[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422840520 337688638 /nfs/dbraw/zinc/68/86/38/337688638.db2.gz TWCHLABJPRDURB-MBNYWOFBSA-N 1 3 318.383 3.578 20 0 DHADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422837804 337688648 /nfs/dbraw/zinc/68/86/48/337688648.db2.gz MWEZMDFVAHMSKH-HUUCEWRRSA-N 1 3 310.441 3.504 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1ccccc1F ZINC000422845895 337688748 /nfs/dbraw/zinc/68/87/48/337688748.db2.gz CXTBXCAWELDDKC-CYBMUJFWSA-N 1 3 315.436 3.616 20 0 DHADHO CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422888564 337690221 /nfs/dbraw/zinc/69/02/21/337690221.db2.gz NIHMPVAJKCSRNT-NJZAAPMLSA-N 1 3 315.288 3.902 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cccc2ccccc21 ZINC000422943915 337692811 /nfs/dbraw/zinc/69/28/11/337692811.db2.gz ZBTZKLOOCSEZFU-OAHLLOKOSA-N 1 3 319.452 3.895 20 0 DHADHO CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000422978953 337693535 /nfs/dbraw/zinc/69/35/35/337693535.db2.gz LDKAULDDJOTHNR-WCIQWLHISA-N 1 3 315.505 3.633 20 0 DHADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422949565 337694450 /nfs/dbraw/zinc/69/44/50/337694450.db2.gz UICNOZPGSDDEMI-NFJMJWFLSA-N 1 3 320.480 3.999 20 0 DHADHO FC(F)(F)c1cccc([C@H](N[C@@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000423011744 337695563 /nfs/dbraw/zinc/69/55/63/337695563.db2.gz BMFXCTQCYAMHSW-HZPDHXFCSA-N 1 3 312.379 3.888 20 0 DHADHO COCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCCCC1 ZINC000423060598 337697736 /nfs/dbraw/zinc/69/77/36/337697736.db2.gz IOJILOHQYQZIRI-IPMKNSEASA-N 1 3 322.537 3.874 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423093280 337698959 /nfs/dbraw/zinc/69/89/59/337698959.db2.gz GVZCDLJCFDTAHB-DZKIICNBSA-N 1 3 313.420 3.585 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423092021 337698993 /nfs/dbraw/zinc/69/89/93/337698993.db2.gz AEJMDKUXWLGSPA-DARAHFNDSA-N 1 3 312.379 3.668 20 0 DHADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423098675 337699397 /nfs/dbraw/zinc/69/93/97/337699397.db2.gz DFBTYMJKEKHRGM-IUODEOHRSA-N 1 3 321.877 3.681 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423105085 337699709 /nfs/dbraw/zinc/69/97/09/337699709.db2.gz NBPSUZHEJLYHSI-AHIWAGSCSA-N 1 3 310.869 3.523 20 0 DHADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423136486 337701255 /nfs/dbraw/zinc/70/12/55/337701255.db2.gz PGAYZZKYMMPXSU-KBMXLJTQSA-N 1 3 314.395 3.700 20 0 DHADHO Cc1cccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423160081 337702029 /nfs/dbraw/zinc/70/20/29/337702029.db2.gz GUJMOTKSKVZMPL-SCWSEQNSSA-N 1 3 322.452 3.902 20 0 DHADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423182347 337702803 /nfs/dbraw/zinc/70/28/03/337702803.db2.gz LPLBSECRKXTXFP-KCMWZYNZSA-N 1 3 306.881 3.954 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C1CCC(C(F)(F)F)CC1 ZINC000423214903 337704712 /nfs/dbraw/zinc/70/47/12/337704712.db2.gz LYCGLDMYYXIKST-NLXSIGEOSA-N 1 3 306.416 3.721 20 0 DHADHO C[NH2+]C[C@@H](C)CN[C@H](Cc1ccccc1)c1sccc1C ZINC000423281586 337709409 /nfs/dbraw/zinc/70/94/09/337709409.db2.gz VUPVUSTXWABNPN-RHSMWYFYSA-N 1 3 302.487 3.785 20 0 DHADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000423291186 337709887 /nfs/dbraw/zinc/70/98/87/337709887.db2.gz HECBZNWWEKDMQT-UGSOOPFHSA-N 1 3 314.404 3.849 20 0 DHADHO COc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000423292687 337710275 /nfs/dbraw/zinc/71/02/75/337710275.db2.gz NYQVMMPZQMGULL-UONOGXRCSA-N 1 3 314.429 3.574 20 0 DHADHO C[C@@H]([NH2+]C[C@]1(C)CCCNC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423334380 337712520 /nfs/dbraw/zinc/71/25/20/337712520.db2.gz IGYHQPLHXXZWDB-OQMKEHIESA-N 1 3 312.910 3.873 20 0 DHADHO Cc1cc([C@H](N[C@@H](C)CCCC[NH3+])c2cccnc2)ccc1F ZINC000423419096 337716755 /nfs/dbraw/zinc/71/67/55/337716755.db2.gz AJTZFHIWSLDTEC-KXBFYZLASA-N 1 3 315.436 3.726 20 0 DHADHO Cc1cc(OCCC[C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)ccc1Cl ZINC000423388050 337718008 /nfs/dbraw/zinc/71/80/08/337718008.db2.gz SXJBZAGRTYKNPA-XHSDSOJGSA-N 1 3 324.896 3.926 20 0 DHADHO Cc1cc(OCCC[C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)ccc1Cl ZINC000423389317 337718213 /nfs/dbraw/zinc/71/82/13/337718213.db2.gz JHZJXUZPIGBKDU-RVKKMQEKSA-N 1 3 324.896 3.784 20 0 DHADHO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423394317 337718618 /nfs/dbraw/zinc/71/86/18/337718618.db2.gz REKAETARZCWNPF-NHCUHLMSSA-N 1 3 306.453 3.890 20 0 DHADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1csc(-c2ccccc2F)n1 ZINC000423456505 337720432 /nfs/dbraw/zinc/72/04/32/337720432.db2.gz NUZKNGFKVXJLAO-NWDGAFQWSA-N 1 3 307.438 3.727 20 0 DHADHO C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000423487814 337722284 /nfs/dbraw/zinc/72/22/84/337722284.db2.gz CYLHMQNYMLEEFR-GUTXKFCHSA-N 1 3 301.459 3.588 20 0 DHADHO Cc1nc2c(s1)[C@H](N[C@@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423494783 337722795 /nfs/dbraw/zinc/72/27/95/337722795.db2.gz BAKWNVFBMOMQSA-DOTOQJQBSA-N 1 3 315.486 3.899 20 0 DHADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1csc(-c2ccccc2F)n1 ZINC000423496199 337722907 /nfs/dbraw/zinc/72/29/07/337722907.db2.gz FZJQJTMGUHSKAB-AVGNSLFASA-N 1 3 319.449 3.727 20 0 DHADHO CC[C@H](NCCC1=CC[NH2+]CC1)c1ccccc1Br ZINC000423540122 337725095 /nfs/dbraw/zinc/72/50/95/337725095.db2.gz PXOUMKXVANYJGR-INIZCTEOSA-N 1 3 323.278 3.800 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CC(c2ccccc2)C1 ZINC000516449741 338012745 /nfs/dbraw/zinc/01/27/45/338012745.db2.gz NNTLRNXFIKRZIO-MXWWQKGMSA-N 1 3 309.457 3.693 20 0 DHADHO Cc1ccc(C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000426318843 338026696 /nfs/dbraw/zinc/02/66/96/338026696.db2.gz SQPBEVKSMDZHQB-QZTJIDSGSA-N 1 3 300.490 3.797 20 0 DHADHO Cc1ccc(C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000426318843 338026697 /nfs/dbraw/zinc/02/66/97/338026697.db2.gz SQPBEVKSMDZHQB-QZTJIDSGSA-N 1 3 300.490 3.797 20 0 DHADHO CN(C)CC1(C[NH2+]Cc2ccc(C(F)(F)F)s2)CCCC1 ZINC000428873317 338063927 /nfs/dbraw/zinc/06/39/27/338063927.db2.gz UAGPHEWGGITPPR-UHFFFAOYSA-N 1 3 320.424 3.979 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCOc3c(C(C)C)cccc32)C1 ZINC000431347775 338128800 /nfs/dbraw/zinc/12/88/00/338128800.db2.gz HNGMHDSCZIYECL-VQIMIIECSA-N 1 3 316.489 3.955 20 0 DHADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000432423559 338155933 /nfs/dbraw/zinc/15/59/33/338155933.db2.gz KOUMQCCWHFOPBF-CRAIPNDOSA-N 1 3 324.896 3.882 20 0 DHADHO CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000432423559 338155934 /nfs/dbraw/zinc/15/59/34/338155934.db2.gz KOUMQCCWHFOPBF-CRAIPNDOSA-N 1 3 324.896 3.882 20 0 DHADHO CC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000432423562 338156014 /nfs/dbraw/zinc/15/60/14/338156014.db2.gz KOUMQCCWHFOPBF-YJBOKZPZSA-N 1 3 324.896 3.882 20 0 DHADHO CC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000432423562 338156015 /nfs/dbraw/zinc/15/60/15/338156015.db2.gz KOUMQCCWHFOPBF-YJBOKZPZSA-N 1 3 324.896 3.882 20 0 DHADHO CCCc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432423841 338156114 /nfs/dbraw/zinc/15/61/14/338156114.db2.gz LJJIRPWBTHXEJU-MSOLQXFVSA-N 1 3 318.505 3.791 20 0 DHADHO CCCc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432423841 338156115 /nfs/dbraw/zinc/15/61/15/338156115.db2.gz LJJIRPWBTHXEJU-MSOLQXFVSA-N 1 3 318.505 3.791 20 0 DHADHO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000432793503 338168150 /nfs/dbraw/zinc/16/81/50/338168150.db2.gz PYHGFDPRCDEOLK-KRWDZBQOSA-N 1 3 312.457 3.765 20 0 DHADHO COc1ccc2ccccc2c1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000432793503 338168151 /nfs/dbraw/zinc/16/81/51/338168151.db2.gz PYHGFDPRCDEOLK-KRWDZBQOSA-N 1 3 312.457 3.765 20 0 DHADHO CCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432794691 338168202 /nfs/dbraw/zinc/16/82/02/338168202.db2.gz BWSQGJNCUHCWNZ-OAHLLOKOSA-N 1 3 300.446 3.911 20 0 DHADHO CCc1oc2ccccc2c1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432794691 338168203 /nfs/dbraw/zinc/16/82/03/338168203.db2.gz BWSQGJNCUHCWNZ-OAHLLOKOSA-N 1 3 300.446 3.911 20 0 DHADHO CCN(Cc1cc(C[N@H+](CC)C2CC2)cc(OC)c1)C1CC1 ZINC000432927275 338173439 /nfs/dbraw/zinc/17/34/39/338173439.db2.gz GLLURSNELKWHSB-UHFFFAOYSA-N 1 3 302.462 3.664 20 0 DHADHO CCN(Cc1cc(C[N@@H+](CC)C2CC2)cc(OC)c1)C1CC1 ZINC000432927275 338173440 /nfs/dbraw/zinc/17/34/40/338173440.db2.gz GLLURSNELKWHSB-UHFFFAOYSA-N 1 3 302.462 3.664 20 0 DHADHO C[NH+](C)CC[C@H](NCc1cc2c(cccc2F)[nH]1)C(C)(C)C ZINC000436241342 338263142 /nfs/dbraw/zinc/26/31/42/338263142.db2.gz KRBJAIIMFSJOQZ-KRWDZBQOSA-N 1 3 305.441 3.763 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436274960 338265050 /nfs/dbraw/zinc/26/50/50/338265050.db2.gz NXNZYOHNCKHSCO-AQNXPRMDSA-N 1 3 300.490 3.719 20 0 DHADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000438182896 338335353 /nfs/dbraw/zinc/33/53/53/338335353.db2.gz VCQBYWMAKRLTBB-ROUUACIJSA-N 1 3 304.478 3.698 20 0 DHADHO CN1CCCN(CCC[NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000439010934 338358304 /nfs/dbraw/zinc/35/83/04/338358304.db2.gz ZFUISIBBXHPHTD-MOPGFXCFSA-N 1 3 323.569 3.599 20 0 DHADHO FC1(F)CCCC[C@H]1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000450419980 338399553 /nfs/dbraw/zinc/39/95/53/338399553.db2.gz BHEMFZXLCDNPPH-JKSUJKDBSA-N 1 3 300.437 3.762 20 0 DHADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000449252336 338607083 /nfs/dbraw/zinc/60/70/83/338607083.db2.gz QIQNUJYRXKDNKN-IBGZPJMESA-N 1 3 301.478 3.856 20 0 DHADHO Cc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000453082079 338791631 /nfs/dbraw/zinc/79/16/31/338791631.db2.gz MBFAJBGKUQLYBB-FMKPAKJESA-N 1 3 310.507 3.597 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C3CC3)cc2)C[C@@H](C)O1 ZINC000459382624 339025999 /nfs/dbraw/zinc/02/59/99/339025999.db2.gz FXRSMRVJDICCTI-IAGOWNOFSA-N 1 3 316.489 3.543 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C3CC3)cc2)C[C@H](C)O1 ZINC000459382623 339026120 /nfs/dbraw/zinc/02/61/20/339026120.db2.gz FXRSMRVJDICCTI-CALCHBBNSA-N 1 3 316.489 3.543 20 0 DHADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459409624 339027615 /nfs/dbraw/zinc/02/76/15/339027615.db2.gz RDTLIIQUULVOQU-APWZRJJASA-N 1 3 301.478 3.999 20 0 DHADHO CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459413888 339027932 /nfs/dbraw/zinc/02/79/32/339027932.db2.gz XXMWFLQBPCDRES-SFHVURJKSA-N 1 3 309.457 3.661 20 0 DHADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(Oc3ccccc3)o2)C1 ZINC000459730518 339044840 /nfs/dbraw/zinc/04/48/40/339044840.db2.gz KMCMCFRPLOVJNE-MRXNPFEDSA-N 1 3 314.429 3.893 20 0 DHADHO C[N@H+]1CCC[C@H](CCNCc2ccc(Oc3ccccc3)o2)C1 ZINC000459730518 339044841 /nfs/dbraw/zinc/04/48/41/339044841.db2.gz KMCMCFRPLOVJNE-MRXNPFEDSA-N 1 3 314.429 3.893 20 0 DHADHO CCCN(CCC)CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000464060404 339132407 /nfs/dbraw/zinc/13/24/07/339132407.db2.gz BVOYMBORCBBFEZ-GBESFXJTSA-N 1 3 310.526 3.683 20 0 DHADHO Cc1ccc2nccc(NCc3ccc(CC[NH+](C)C)cc3)c2c1 ZINC000466446497 339205422 /nfs/dbraw/zinc/20/54/22/339205422.db2.gz QCYVTHLJVWMMAE-UHFFFAOYSA-N 1 3 319.452 3.681 20 0 DHADHO OC[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)CC1CCCC1 ZINC000467434730 339238363 /nfs/dbraw/zinc/23/83/63/339238363.db2.gz WEZXFZVUGUGPKI-GOSISDBHSA-N 1 3 322.537 3.562 20 0 DHADHO OC[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)CC1CCCC1 ZINC000467434730 339238364 /nfs/dbraw/zinc/23/83/64/339238364.db2.gz WEZXFZVUGUGPKI-GOSISDBHSA-N 1 3 322.537 3.562 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000467444547 339239015 /nfs/dbraw/zinc/23/90/15/339239015.db2.gz HPVSMZYDXDHCJB-RYRKJORJSA-N 1 3 304.478 3.714 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000468355560 339260521 /nfs/dbraw/zinc/26/05/21/339260521.db2.gz HLZVCDZRSPGTNW-MCIONIFRSA-N 1 3 312.910 3.939 20 0 DHADHO C[C@H](CCc1ccc(Cl)s1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000468355560 339260522 /nfs/dbraw/zinc/26/05/22/339260522.db2.gz HLZVCDZRSPGTNW-MCIONIFRSA-N 1 3 312.910 3.939 20 0 DHADHO CCCCOc1ccccc1CN1CCC(C[NH+](C)C)CC1 ZINC000468410528 339262396 /nfs/dbraw/zinc/26/23/96/339262396.db2.gz YILDJZNHXFJAHH-UHFFFAOYSA-N 1 3 304.478 3.639 20 0 DHADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@@H](C)C1 ZINC000468812191 339271564 /nfs/dbraw/zinc/27/15/64/339271564.db2.gz CTLZCICDTIQCCR-QFBILLFUSA-N 1 3 316.489 3.828 20 0 DHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4cccc(F)c4)s3)C[C@H]12 ZINC000469886029 339303814 /nfs/dbraw/zinc/30/38/14/339303814.db2.gz ZLFHHXJJXNYWSB-RRQGHBQHSA-N 1 3 316.445 3.723 20 0 DHADHO C(CC1CCOCC1)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000469901374 339304166 /nfs/dbraw/zinc/30/41/66/339304166.db2.gz YJPJNJAJLUQGAD-HXUWFJFHSA-N 1 3 322.537 3.781 20 0 DHADHO CC[N@@H+]1CC[C@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@H](C)C1 ZINC000470165056 339312342 /nfs/dbraw/zinc/31/23/42/339312342.db2.gz CTSANDQPNJQAPN-KUHUBIRLSA-N 1 3 313.489 3.913 20 0 DHADHO CC[N@H+]1CC[C@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@H](C)C1 ZINC000470165056 339312343 /nfs/dbraw/zinc/31/23/43/339312343.db2.gz CTSANDQPNJQAPN-KUHUBIRLSA-N 1 3 313.489 3.913 20 0 DHADHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)c2cccc(Cl)c2)C1 ZINC000472267209 339368259 /nfs/dbraw/zinc/36/82/59/339368259.db2.gz CLVPEDWZYGIIEO-MAUKXSAKSA-N 1 3 324.896 3.834 20 0 DHADHO CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)c2ccccc2Cl)C1 ZINC000472265731 339368269 /nfs/dbraw/zinc/36/82/69/339368269.db2.gz YTHMALQCEQQUOH-HZPDHXFCSA-N 1 3 324.896 3.834 20 0 DHADHO C[C@H](CCc1ccccc1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472446659 339371981 /nfs/dbraw/zinc/37/19/81/339371981.db2.gz AMHFTTPTLWVJJA-XLIONFOSSA-N 1 3 300.490 3.671 20 0 DHADHO C[C@H](CCc1ccccc1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472446659 339371982 /nfs/dbraw/zinc/37/19/82/339371982.db2.gz AMHFTTPTLWVJJA-XLIONFOSSA-N 1 3 300.490 3.671 20 0 DHADHO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000472446659 339371983 /nfs/dbraw/zinc/37/19/83/339371983.db2.gz AMHFTTPTLWVJJA-XLIONFOSSA-N 1 3 300.490 3.671 20 0 DHADHO C[C@H](CCc1ccccc1)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000472446659 339371984 /nfs/dbraw/zinc/37/19/84/339371984.db2.gz AMHFTTPTLWVJJA-XLIONFOSSA-N 1 3 300.490 3.671 20 0 DHADHO CN(CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C1CCCCC1 ZINC000474053306 339399481 /nfs/dbraw/zinc/39/94/81/339399481.db2.gz COONGGUPMQIKQW-YZGWKJHDSA-N 1 3 322.537 3.826 20 0 DHADHO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000479559686 339541316 /nfs/dbraw/zinc/54/13/16/339541316.db2.gz OSFXPSVQXGCULB-ZACQAIPSSA-N 1 3 304.478 3.714 20 0 DHADHO C[C@@H]([NH2+]CCCCC1CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000499624728 340041346 /nfs/dbraw/zinc/04/13/46/340041346.db2.gz JICIJKAQNSHNSR-IEBWSBKVSA-N 1 3 322.537 3.826 20 0 DHADHO CCC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C1CCCCC1 ZINC000500992084 340071736 /nfs/dbraw/zinc/07/17/36/340071736.db2.gz NKZJTFYYHXLLHC-HXUWFJFHSA-N 1 3 323.569 3.741 20 0 DHADHO CC(C)COCCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000501107329 340074552 /nfs/dbraw/zinc/07/45/52/340074552.db2.gz BFADAHDABUZRHG-UHFFFAOYSA-N 1 3 318.505 3.503 20 0 DHADHO CC(C)COCCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000501107329 340074553 /nfs/dbraw/zinc/07/45/53/340074553.db2.gz BFADAHDABUZRHG-UHFFFAOYSA-N 1 3 318.505 3.503 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000502480137 340105494 /nfs/dbraw/zinc/10/54/94/340105494.db2.gz GKNWDFFQOJKZES-XWSJACJDSA-N 1 3 310.526 3.682 20 0 DHADHO C[N@@H+]1CCC[C@H]1CCN1CCC(Cc2cccc(F)c2)CC1 ZINC000502702676 340111506 /nfs/dbraw/zinc/11/15/06/340111506.db2.gz QIOUKMSPYWKBSZ-IBGZPJMESA-N 1 3 304.453 3.565 20 0 DHADHO C[N@H+]1CCC[C@H]1CCN1CCC(Cc2cccc(F)c2)CC1 ZINC000502702676 340111507 /nfs/dbraw/zinc/11/15/07/340111507.db2.gz QIOUKMSPYWKBSZ-IBGZPJMESA-N 1 3 304.453 3.565 20 0 DHADHO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000503578791 340131532 /nfs/dbraw/zinc/13/15/32/340131532.db2.gz WEZKOEILMIFCHP-MXYRBXQYSA-N 1 3 324.390 3.602 20 0 DHADHO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000503578791 340131533 /nfs/dbraw/zinc/13/15/33/340131533.db2.gz WEZKOEILMIFCHP-MXYRBXQYSA-N 1 3 324.390 3.602 20 0 DHADHO CCc1cc(OC)ccc1CN1CCC(C[NH+](CC)CC)CC1 ZINC000503902647 340136155 /nfs/dbraw/zinc/13/61/55/340136155.db2.gz NLDJGEZZZYFWMM-UHFFFAOYSA-N 1 3 318.505 3.811 20 0 DHADHO CCc1cc(OC)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000503900586 340136220 /nfs/dbraw/zinc/13/62/20/340136220.db2.gz FHPMQWAHOZXAHH-UHFFFAOYSA-N 1 3 316.489 3.565 20 0 DHADHO Fc1ccc(/C=C\CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000506872478 340203114 /nfs/dbraw/zinc/20/31/14/340203114.db2.gz BKQLUEKQJASYAO-ARJAWSKDSA-N 1 3 302.437 3.647 20 0 DHADHO CC(C)[NH+]1CCC(N(C)CCCOc2cccc(Cl)c2)CC1 ZINC000507349792 340217739 /nfs/dbraw/zinc/21/77/39/340217739.db2.gz QYLLMMOZTMUFKI-UHFFFAOYSA-N 1 3 324.896 3.914 20 0 DHADHO CC[C@H](CSC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507520027 340224081 /nfs/dbraw/zinc/22/40/81/340224081.db2.gz MMBRNOUGMNTIDD-WJFTUGDTSA-N 1 3 318.530 3.628 20 0 DHADHO CC[N@@H+]1CCC[C@@H](CNC/C(C)=C/c2ccccc2COC)C1 ZINC000510345772 340296507 /nfs/dbraw/zinc/29/65/07/340296507.db2.gz HWYZTRJJYZMVLS-WQJNHMDYSA-N 1 3 316.489 3.558 20 0 DHADHO CC[N@H+]1CCC[C@@H](CNC/C(C)=C/c2ccccc2COC)C1 ZINC000510345772 340296508 /nfs/dbraw/zinc/29/65/08/340296508.db2.gz HWYZTRJJYZMVLS-WQJNHMDYSA-N 1 3 316.489 3.558 20 0 DHADHO CCN1CCC[C@@H](C[NH2+]C/C(C)=C/c2ccccc2COC)C1 ZINC000510345772 340296509 /nfs/dbraw/zinc/29/65/09/340296509.db2.gz HWYZTRJJYZMVLS-WQJNHMDYSA-N 1 3 316.489 3.558 20 0 DHADHO CC[N@@H+]1CCC[C@H](CNC/C(C)=C\c2ccccc2COC)C1 ZINC000510345774 340296549 /nfs/dbraw/zinc/29/65/49/340296549.db2.gz HWYZTRJJYZMVLS-XUDLPTGHSA-N 1 3 316.489 3.558 20 0 DHADHO CC[N@H+]1CCC[C@H](CNC/C(C)=C\c2ccccc2COC)C1 ZINC000510345774 340296550 /nfs/dbraw/zinc/29/65/50/340296550.db2.gz HWYZTRJJYZMVLS-XUDLPTGHSA-N 1 3 316.489 3.558 20 0 DHADHO CCN1CCC[C@H](C[NH2+]C/C(C)=C\c2ccccc2COC)C1 ZINC000510345774 340296551 /nfs/dbraw/zinc/29/65/51/340296551.db2.gz HWYZTRJJYZMVLS-XUDLPTGHSA-N 1 3 316.489 3.558 20 0 DHADHO CN(c1ccccc1C[N@H+](C)CC(C)(C)C)C1CCN(C)CC1 ZINC000510627239 340304177 /nfs/dbraw/zinc/30/41/77/340304177.db2.gz BLUDOTFMTQSJDE-UHFFFAOYSA-N 1 3 317.521 3.695 20 0 DHADHO CN(c1ccccc1C[N@@H+](C)CC(C)(C)C)C1CCN(C)CC1 ZINC000510627239 340304178 /nfs/dbraw/zinc/30/41/78/340304178.db2.gz BLUDOTFMTQSJDE-UHFFFAOYSA-N 1 3 317.521 3.695 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510753226 340309792 /nfs/dbraw/zinc/30/97/92/340309792.db2.gz QHJQUKAMHNOBOQ-HZPDHXFCSA-N 1 3 324.459 3.996 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCCF)cc1 ZINC000510752806 340309795 /nfs/dbraw/zinc/30/97/95/340309795.db2.gz NYWRGRAGPKHOJP-MJGOQNOKSA-N 1 3 322.468 3.635 20 0 DHADHO CC[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000530218706 340782906 /nfs/dbraw/zinc/78/29/06/340782906.db2.gz MZZLRJNQHZBRIB-MAUKXSAKSA-N 1 3 311.473 3.911 20 0 DHADHO C[C@H]([NH2+]CCC1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000539064388 340869871 /nfs/dbraw/zinc/86/98/71/340869871.db2.gz BZVJOARNDWQVPC-INIZCTEOSA-N 1 3 304.478 3.858 20 0 DHADHO Cc1ccc(CCCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000542277623 341003135 /nfs/dbraw/zinc/00/31/35/341003135.db2.gz YLGJQVBMPGZZMW-HXUWFJFHSA-N 1 3 300.490 3.878 20 0 DHADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc2ccccc2c1 ZINC000543597986 341050317 /nfs/dbraw/zinc/05/03/17/341050317.db2.gz NTSQWGYNEHOLHO-KRWDZBQOSA-N 1 3 314.473 3.849 20 0 DHADHO CC[NH+](CC)CCCN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000131434956 341087527 /nfs/dbraw/zinc/08/75/27/341087527.db2.gz OQMIJPFPAVIVGF-INIZCTEOSA-N 1 3 314.477 3.563 20 0 DHADHO C[C@@H]1CCCCCN1CC1(C[N@@H+]2CCCCC[C@@H]2C)COC1 ZINC000547623641 341223664 /nfs/dbraw/zinc/22/36/64/341223664.db2.gz UGTMDBSPCZUTTP-HDICACEKSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H]1CCCCCN1CC1(C[N@H+]2CCCCC[C@@H]2C)COC1 ZINC000547623641 341223665 /nfs/dbraw/zinc/22/36/65/341223665.db2.gz UGTMDBSPCZUTTP-HDICACEKSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H]1CCCCC[N@H+]1CC1(CN2CCCCC[C@@H]2C)COC1 ZINC000547623641 341223666 /nfs/dbraw/zinc/22/36/66/341223666.db2.gz UGTMDBSPCZUTTP-HDICACEKSA-N 1 3 308.510 3.532 20 0 DHADHO C[C@@H]1CCCCC[N@@H+]1CC1(CN2CCCCC[C@@H]2C)COC1 ZINC000547623641 341223667 /nfs/dbraw/zinc/22/36/67/341223667.db2.gz UGTMDBSPCZUTTP-HDICACEKSA-N 1 3 308.510 3.532 20 0 DHADHO c1ccc(SCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134907683 341226329 /nfs/dbraw/zinc/22/63/29/341226329.db2.gz XCNAOWGDBIVDQC-APWZRJJASA-N 1 3 316.514 3.727 20 0 DHADHO c1ccc(SCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134907683 341226330 /nfs/dbraw/zinc/22/63/30/341226330.db2.gz XCNAOWGDBIVDQC-APWZRJJASA-N 1 3 316.514 3.727 20 0 DHADHO c1ccc(SCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134907661 341226388 /nfs/dbraw/zinc/22/63/88/341226388.db2.gz XCNAOWGDBIVDQC-VQIMIIECSA-N 1 3 316.514 3.727 20 0 DHADHO c1ccc(SCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134907661 341226389 /nfs/dbraw/zinc/22/63/89/341226389.db2.gz XCNAOWGDBIVDQC-VQIMIIECSA-N 1 3 316.514 3.727 20 0 DHADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935410 341281514 /nfs/dbraw/zinc/28/15/14/341281514.db2.gz KPMXHBNFOPKRSR-LSDHHAIUSA-N 1 3 318.427 3.915 20 0 DHADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935410 341281515 /nfs/dbraw/zinc/28/15/15/341281515.db2.gz KPMXHBNFOPKRSR-LSDHHAIUSA-N 1 3 318.427 3.915 20 0 DHADHO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)ccc1F ZINC000245509342 341298422 /nfs/dbraw/zinc/29/84/22/341298422.db2.gz UJNNPCSTSJMDIZ-HUUCEWRRSA-N 1 3 308.441 3.605 20 0 DHADHO CCC[N@@H+]1CC[C@H](CN[C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245946334 341319191 /nfs/dbraw/zinc/31/91/91/341319191.db2.gz BLPUYHIDPFNRSB-APWZRJJASA-N 1 3 304.478 3.714 20 0 DHADHO CCC[N@H+]1CC[C@H](CN[C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245946334 341319192 /nfs/dbraw/zinc/31/91/92/341319192.db2.gz BLPUYHIDPFNRSB-APWZRJJASA-N 1 3 304.478 3.714 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245946334 341319193 /nfs/dbraw/zinc/31/91/93/341319193.db2.gz BLPUYHIDPFNRSB-APWZRJJASA-N 1 3 304.478 3.714 20 0 DHADHO CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000550823715 341323604 /nfs/dbraw/zinc/32/36/04/341323604.db2.gz VUWYZSRXAITMOF-RLLQIKCJSA-N 1 3 317.521 3.532 20 0 DHADHO C[C@@H]1C[C@@H](N[C@H]2CCc3c2cccc3Br)CC[N@@H+]1C ZINC000246405375 341347548 /nfs/dbraw/zinc/34/75/48/341347548.db2.gz MALSBNLUMQAZHI-WQGACYEGSA-N 1 3 323.278 3.509 20 0 DHADHO C[C@@H]1C[C@@H](N[C@H]2CCc3c2cccc3Br)CC[N@H+]1C ZINC000246405375 341347549 /nfs/dbraw/zinc/34/75/49/341347549.db2.gz MALSBNLUMQAZHI-WQGACYEGSA-N 1 3 323.278 3.509 20 0 DHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000246849010 341357753 /nfs/dbraw/zinc/35/77/53/341357753.db2.gz BHUZQYNPIBEPOY-KZNAEPCWSA-N 1 3 318.505 3.897 20 0 DHADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000247075944 341360695 /nfs/dbraw/zinc/36/06/95/341360695.db2.gz QMKLBTVAWSDDAK-JXFKEZNVSA-N 1 3 316.489 3.783 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2cc3c(s2)CCCC3)[C@H]2CCC[C@H]21 ZINC000552034844 341363650 /nfs/dbraw/zinc/36/36/50/341363650.db2.gz HOLAHIYGZLWODU-IXDOHACOSA-N 1 3 304.503 3.589 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cc3c(s2)CCCC3)[C@H]2CCC[C@H]21 ZINC000552034844 341363651 /nfs/dbraw/zinc/36/36/51/341363651.db2.gz HOLAHIYGZLWODU-IXDOHACOSA-N 1 3 304.503 3.589 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cc3c(s2)CCCC3)[C@H]2CCC[C@H]21 ZINC000552034844 341363652 /nfs/dbraw/zinc/36/36/52/341363652.db2.gz HOLAHIYGZLWODU-IXDOHACOSA-N 1 3 304.503 3.589 20 0 DHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1Cl ZINC000247350972 341363803 /nfs/dbraw/zinc/36/38/03/341363803.db2.gz PCKHUEYODRUWPF-BZUAXINKSA-N 1 3 324.896 3.880 20 0 DHADHO Cc1cc(Cl)cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000552243057 341380831 /nfs/dbraw/zinc/38/08/31/341380831.db2.gz MSEFUTXHMGFDGU-KRWDZBQOSA-N 1 3 306.881 3.812 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc(Br)cs2)C1 ZINC000248723778 341385185 /nfs/dbraw/zinc/38/51/85/341385185.db2.gz GYKLXTKKLSPNPL-GHMZBOCLSA-N 1 3 317.296 3.503 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000249373008 341396800 /nfs/dbraw/zinc/39/68/00/341396800.db2.gz FAQSEVGYPMIXLP-CHWSQXEVSA-N 1 3 300.368 3.698 20 0 DHADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000089214944 341402685 /nfs/dbraw/zinc/40/26/85/341402685.db2.gz ZOQMDAAYIBXNFZ-MRXNPFEDSA-N 1 3 301.478 3.856 20 0 DHADHO C[NH+](C)CCCC1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000572682693 341700194 /nfs/dbraw/zinc/70/01/94/341700194.db2.gz RBWZDCCDHKMGFW-UHFFFAOYSA-N 1 3 316.489 3.782 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NC/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000576755034 341861593 /nfs/dbraw/zinc/86/15/93/341861593.db2.gz BOCOMWKMOJAYAB-WMHOYKDJSA-N 1 3 324.468 3.994 20 0 DHADHO CC[NH2+]CC1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000577373057 341906517 /nfs/dbraw/zinc/90/65/17/341906517.db2.gz GRKKZECSLXUTNJ-UHFFFAOYSA-N 1 3 312.860 3.733 20 0 DHADHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2cncc(F)c2)CC1 ZINC000163593596 519653659 /nfs/dbraw/zinc/65/36/59/519653659.db2.gz BOAFQABGMCMQEQ-OAHLLOKOSA-N 1 3 307.457 3.629 20 0 DHADHO CC(=O)Nc1ccc([C@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000182084590 519734096 /nfs/dbraw/zinc/73/40/96/519734096.db2.gz KSEHBVRFTRMQOK-KBXCAEBGSA-N 1 3 319.493 3.662 20 0 DHADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000354025324 520694340 /nfs/dbraw/zinc/69/43/40/520694340.db2.gz BWUMQKCBIVZTQL-UHFFFAOYSA-N 1 3 318.505 3.626 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000163265540 521717616 /nfs/dbraw/zinc/71/76/16/521717616.db2.gz LJMNHFRCMSUMSH-QLFBSQMISA-N 1 3 317.502 3.720 20 0 DHADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000163265540 521717617 /nfs/dbraw/zinc/71/76/17/521717617.db2.gz LJMNHFRCMSUMSH-QLFBSQMISA-N 1 3 317.502 3.720 20 0 DHADHO CC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000163265540 521717619 /nfs/dbraw/zinc/71/76/19/521717619.db2.gz LJMNHFRCMSUMSH-QLFBSQMISA-N 1 3 317.502 3.720 20 0 DHADHO COCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000368528413 521985500 /nfs/dbraw/zinc/98/55/00/521985500.db2.gz QEQDPQWKVPCQDM-APWZRJJASA-N 1 3 308.510 3.578 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000156774548 525391675 /nfs/dbraw/zinc/39/16/75/525391675.db2.gz FEEQLFLHQVAZBJ-HOTGVXAUSA-N 1 3 316.489 3.999 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000156774548 525391678 /nfs/dbraw/zinc/39/16/78/525391678.db2.gz FEEQLFLHQVAZBJ-HOTGVXAUSA-N 1 3 316.489 3.999 20 0 DHADHO C[C@H](NCc1cccc2[nH]ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101900 525459424 /nfs/dbraw/zinc/45/94/24/525459424.db2.gz OVQZWVFQBYZINQ-RDJZCZTQSA-N 1 3 311.473 3.911 20 0 DHADHO C[C@H](NCc1cccc2[nH]ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101900 525459440 /nfs/dbraw/zinc/45/94/40/525459440.db2.gz OVQZWVFQBYZINQ-RDJZCZTQSA-N 1 3 311.473 3.911 20 0 DHADHO C[C@H]([NH2+]Cc1cccc2[nH]ccc21)[C@H]1CCCN(C2CCC2)C1 ZINC000183101900 525459447 /nfs/dbraw/zinc/45/94/47/525459447.db2.gz OVQZWVFQBYZINQ-RDJZCZTQSA-N 1 3 311.473 3.911 20 0 DHADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000162584798 525459705 /nfs/dbraw/zinc/45/97/05/525459705.db2.gz KXJFHTANCCIINL-HNNXBMFYSA-N 1 3 316.420 3.617 20 0 DHADHO Cc1cncc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000363825974 526216301 /nfs/dbraw/zinc/21/63/01/526216301.db2.gz QAWMTEWASOHDJP-BJLQDIEVSA-N 1 3 323.484 3.951 20 0 DHADHO Cc1cncc([C@H](C)[NH2+]C[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000363825990 526216496 /nfs/dbraw/zinc/21/64/96/526216496.db2.gz QAWMTEWASOHDJP-CMKODMSKSA-N 1 3 323.484 3.951 20 0 DHADHO Cc1ncc([C@H](C)NCC2CC[NH+](CCC(C)C)CC2)c(C)n1 ZINC000163580853 527308619 /nfs/dbraw/zinc/30/86/19/527308619.db2.gz AZYWOOFSRCUGCR-HNNXBMFYSA-N 1 3 318.509 3.502 20 0 DHADHO C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OC1CCCCCC1 ZINC000441392417 1013108113 /nfs/dbraw/zinc/10/81/13/1013108113.db2.gz IUDCRSIRYGLXJC-FXAWDEMLSA-N 1 3 320.521 3.675 20 0 DHADHO C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)OC1CCCCCC1 ZINC000441392417 1013108119 /nfs/dbraw/zinc/10/81/19/1013108119.db2.gz IUDCRSIRYGLXJC-FXAWDEMLSA-N 1 3 320.521 3.675 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000076443254 1013318870 /nfs/dbraw/zinc/31/88/70/1013318870.db2.gz ZLDNVMBLOKWFDM-ICSRJNTNSA-N 1 3 308.469 3.902 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000076443254 1013318879 /nfs/dbraw/zinc/31/88/79/1013318879.db2.gz ZLDNVMBLOKWFDM-ICSRJNTNSA-N 1 3 308.469 3.902 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000076443254 1013318888 /nfs/dbraw/zinc/31/88/88/1013318888.db2.gz ZLDNVMBLOKWFDM-ICSRJNTNSA-N 1 3 308.469 3.902 20 0 DHADHO CC(C)(CC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167978557 1013459183 /nfs/dbraw/zinc/45/91/83/1013459183.db2.gz PAGAMJOQHQVHDI-YQQQUEKLSA-N 1 3 320.521 3.577 20 0 DHADHO C[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1(F)F ZINC001167985123 1013521351 /nfs/dbraw/zinc/52/13/51/1013521351.db2.gz VUNSKIHOKRWADY-KTFSGNIMSA-N 1 3 312.448 3.759 20 0 DHADHO C[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1(F)F ZINC001167985123 1013521357 /nfs/dbraw/zinc/52/13/57/1013521357.db2.gz VUNSKIHOKRWADY-KTFSGNIMSA-N 1 3 312.448 3.759 20 0 DHADHO C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCC1(F)F ZINC001167985123 1013521364 /nfs/dbraw/zinc/52/13/64/1013521364.db2.gz VUNSKIHOKRWADY-KTFSGNIMSA-N 1 3 312.448 3.759 20 0 DHADHO C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCC1(F)F ZINC001167985123 1013521367 /nfs/dbraw/zinc/52/13/67/1013521367.db2.gz VUNSKIHOKRWADY-KTFSGNIMSA-N 1 3 312.448 3.759 20 0 DHADHO CCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000668172886 1013540546 /nfs/dbraw/zinc/54/05/46/1013540546.db2.gz VWBZBVHBSINZHV-LPHOPBHVSA-N 1 3 304.478 3.556 20 0 DHADHO CCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000668172886 1013540555 /nfs/dbraw/zinc/54/05/55/1013540555.db2.gz VWBZBVHBSINZHV-LPHOPBHVSA-N 1 3 304.478 3.556 20 0 DHADHO C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)[C@@H]1CCCN(C2CCC2)C1 ZINC000519769032 1013601035 /nfs/dbraw/zinc/60/10/35/1013601035.db2.gz HUAHGJPTKHIPGW-YQVWRLOYSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H](NC[C@H]1CCC2(CCCC2)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519769032 1013601040 /nfs/dbraw/zinc/60/10/40/1013601040.db2.gz HUAHGJPTKHIPGW-YQVWRLOYSA-N 1 3 320.521 3.721 20 0 DHADHO C[C@H](NC[C@H]1CCC2(CCCC2)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000519769032 1013601044 /nfs/dbraw/zinc/60/10/44/1013601044.db2.gz HUAHGJPTKHIPGW-YQVWRLOYSA-N 1 3 320.521 3.721 20 0 DHADHO COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c2ccccc12 ZINC000325198314 1013679681 /nfs/dbraw/zinc/67/96/81/1013679681.db2.gz CRAZLTWMNMWONZ-XLIONFOSSA-N 1 3 324.468 3.812 20 0 DHADHO C[C@@H](Cc1ccccn1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000655837811 1013761632 /nfs/dbraw/zinc/76/16/32/1013761632.db2.gz WRLQSXUXOJWWSI-FUHIMQAGSA-N 1 3 315.505 3.645 20 0 DHADHO c1cc2cc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2cn1 ZINC000683831844 1014056630 /nfs/dbraw/zinc/05/66/30/1014056630.db2.gz JICCOQDAZHBMTP-PZJWPPBQSA-N 1 3 321.468 3.684 20 0 DHADHO c1cc2cc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2cn1 ZINC000683831844 1014056636 /nfs/dbraw/zinc/05/66/36/1014056636.db2.gz JICCOQDAZHBMTP-PZJWPPBQSA-N 1 3 321.468 3.684 20 0 DHADHO c1cnc2c(c1)cccc2CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261701180 1014254876 /nfs/dbraw/zinc/25/48/76/1014254876.db2.gz JYRFUEWAYKSTEW-IPMKNSEASA-N 1 3 309.457 3.635 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000361763531 1032088940 /nfs/dbraw/zinc/08/89/40/1032088940.db2.gz FDOYDBDZMXDUKV-GUXCAODWSA-N 1 3 309.457 3.882 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000361763531 1032088949 /nfs/dbraw/zinc/08/89/49/1032088949.db2.gz FDOYDBDZMXDUKV-GUXCAODWSA-N 1 3 309.457 3.882 20 0 DHADHO Cc1cc2c(cc1C)[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)CCS2 ZINC000427691160 1014516688 /nfs/dbraw/zinc/51/66/88/1014516688.db2.gz SLQVYLXFYXQQNR-BFYDXBDKSA-N 1 3 304.503 3.913 20 0 DHADHO Cc1cc2c(cc1C)[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CCS2 ZINC000427691160 1014516691 /nfs/dbraw/zinc/51/66/91/1014516691.db2.gz SLQVYLXFYXQQNR-BFYDXBDKSA-N 1 3 304.503 3.913 20 0 DHADHO CO[C@H]1CCCC[C@@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000442800191 1014736856 /nfs/dbraw/zinc/73/68/56/1014736856.db2.gz ZAFQZUZFOUXDIV-BVBHFADKSA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@H]1CCCC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000442800191 1014736864 /nfs/dbraw/zinc/73/68/64/1014736864.db2.gz ZAFQZUZFOUXDIV-BVBHFADKSA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)CCN1CCC([NH2+][C@@H](CCCO)c2ccccc2)CC1 ZINC000925121425 1014786596 /nfs/dbraw/zinc/78/65/96/1014786596.db2.gz DPUSCQJEDHAHRW-FQEVSTJZSA-N 1 3 318.505 3.600 20 0 DHADHO CCC[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccsc1 ZINC000443102993 1014815939 /nfs/dbraw/zinc/81/59/39/1014815939.db2.gz JTWGZMHDJMTXST-QGZVFWFLSA-N 1 3 322.518 3.824 20 0 DHADHO c1ccc2c(c1)CC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656682580 1015062818 /nfs/dbraw/zinc/06/28/18/1015062818.db2.gz DPAYMVVLHZAVRM-NRFANRHFSA-N 1 3 321.468 3.571 20 0 DHADHO Cc1cccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000656684322 1015068868 /nfs/dbraw/zinc/06/88/68/1015068868.db2.gz VIASBVSFRIKPCK-GOSISDBHSA-N 1 3 323.484 3.953 20 0 DHADHO CCc1cccc(F)c1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000474149963 1015108029 /nfs/dbraw/zinc/10/80/29/1015108029.db2.gz LCPHBYHLUYSZOV-UHFFFAOYSA-N 1 3 304.453 3.696 20 0 DHADHO COCC1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000093103690 1015312494 /nfs/dbraw/zinc/31/24/94/1015312494.db2.gz ZWQYQQOPIXEASL-UHFFFAOYSA-N 1 3 318.505 3.503 20 0 DHADHO COCC1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000093103690 1015312500 /nfs/dbraw/zinc/31/25/00/1015312500.db2.gz ZWQYQQOPIXEASL-UHFFFAOYSA-N 1 3 318.505 3.503 20 0 DHADHO N[C@H](C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21)C1CC1 ZINC000581801575 1015336337 /nfs/dbraw/zinc/33/63/37/1015336337.db2.gz QKKQLRYPHQISRW-CABCVRRESA-N 1 3 313.470 3.514 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000474604594 1015485626 /nfs/dbraw/zinc/48/56/26/1015485626.db2.gz RBTBCFYQEJANIH-KSZLIROESA-N 1 3 318.505 3.899 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1(Cl)CC1 ZINC000925136055 1015731520 /nfs/dbraw/zinc/73/15/20/1015731520.db2.gz MPFZAYAVZXHFSA-GZBFAFLISA-N 1 3 312.910 3.881 20 0 DHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1(Cl)CC1 ZINC000925136055 1015731525 /nfs/dbraw/zinc/73/15/25/1015731525.db2.gz MPFZAYAVZXHFSA-GZBFAFLISA-N 1 3 312.910 3.881 20 0 DHADHO C[NH+](C)Cc1cccc(CN[C@H](c2cncc(F)c2)C2CC2)c1 ZINC000281101558 1015830818 /nfs/dbraw/zinc/83/08/18/1015830818.db2.gz BJTQBFQOAVVVJD-IBGZPJMESA-N 1 3 313.420 3.523 20 0 DHADHO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H](N(C)C)CC2)c1C ZINC000277392172 1016271100 /nfs/dbraw/zinc/27/11/00/1016271100.db2.gz YWEKZSYMGUFPLR-GOSISDBHSA-N 1 3 316.489 3.731 20 0 DHADHO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@H](N(C)C)CC2)c1C ZINC000277392172 1016271105 /nfs/dbraw/zinc/27/11/05/1016271105.db2.gz YWEKZSYMGUFPLR-GOSISDBHSA-N 1 3 316.489 3.731 20 0 DHADHO Cc1cc([C@H](NCCCC[NH+](C)C)c2cccnc2)ccc1F ZINC000346434727 1016394455 /nfs/dbraw/zinc/39/44/55/1016394455.db2.gz BQYYAFQTXSHGPA-IBGZPJMESA-N 1 3 315.436 3.550 20 0 DHADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346666512 1016501384 /nfs/dbraw/zinc/50/13/84/1016501384.db2.gz YKFYBSVQBFXDDZ-OCCSQVGLSA-N 1 3 304.434 3.723 20 0 DHADHO CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1OC ZINC000152397781 1016589346 /nfs/dbraw/zinc/58/93/46/1016589346.db2.gz BYQIEFOHXUWCAU-GUYCJALGSA-N 1 3 322.880 3.874 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(SC(F)F)cc1 ZINC000158246679 1016711637 /nfs/dbraw/zinc/71/16/37/1016711637.db2.gz FGLXVDZLHLZTNG-STQMWFEESA-N 1 3 314.445 3.994 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(SC(F)F)cc1 ZINC000158246679 1016711650 /nfs/dbraw/zinc/71/16/50/1016711650.db2.gz FGLXVDZLHLZTNG-STQMWFEESA-N 1 3 314.445 3.994 20 0 DHADHO CC(C)N1CCC([NH2+]Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000671302378 1016911568 /nfs/dbraw/zinc/91/15/68/1016911568.db2.gz GFCWFIAAMSSQAA-UHFFFAOYSA-N 1 3 316.489 3.970 20 0 DHADHO CN1CC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1(C)C ZINC000623357256 1016994413 /nfs/dbraw/zinc/99/44/13/1016994413.db2.gz FSERKQQDHUPOIH-CYBMUJFWSA-N 1 3 318.358 3.807 20 0 DHADHO CC(C)(C[NH2+]C1CC(c2ccc(F)cc2)C1)CN1CCCC1 ZINC000477922376 1033369678 /nfs/dbraw/zinc/36/96/78/1033369678.db2.gz YNMOLDGBAGOFIE-UHFFFAOYSA-N 1 3 304.453 3.783 20 0 DHADHO CO[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC000773081533 1032553010 /nfs/dbraw/zinc/55/30/10/1032553010.db2.gz CXSZTTHXWPSVQZ-RBUKOAKNSA-N 1 3 308.510 3.578 20 0 DHADHO CC[C@@H](CN1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000537647436 1032577306 /nfs/dbraw/zinc/57/73/06/1032577306.db2.gz GVPBWULXTDTWBH-OALUTQOASA-N 1 3 300.490 3.844 20 0 DHADHO CC[C@@H](CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000537647436 1032577309 /nfs/dbraw/zinc/57/73/09/1032577309.db2.gz GVPBWULXTDTWBH-OALUTQOASA-N 1 3 300.490 3.844 20 0 DHADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)C[C@H]2C1 ZINC000424325668 1011981831 /nfs/dbraw/zinc/98/18/31/1011981831.db2.gz XZBRVJGSQGRPNU-SGWQFOAVSA-N 1 3 320.521 3.577 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(COc3ccccc3)cc2)C1 ZINC000579731821 1012002320 /nfs/dbraw/zinc/00/23/20/1012002320.db2.gz OMFYHWVHZGHKKX-OALUTQOASA-N 1 3 310.441 3.625 20 0 DHADHO Cc1nc(-c2ccc(CCN[C@H]3CCC[C@H]([NH3+])C3)s2)cs1 ZINC000515497943 1012638497 /nfs/dbraw/zinc/63/84/97/1012638497.db2.gz CRUIECBZDDIKPG-STQMWFEESA-N 1 3 321.515 3.582 20 0 DHADHO COc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1F ZINC000123624084 1032652241 /nfs/dbraw/zinc/65/22/41/1032652241.db2.gz KFRBDYJUWZSJMX-CQSZACIVSA-N 1 3 316.420 3.747 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H](C)CN(C)C ZINC000425918655 1012958547 /nfs/dbraw/zinc/95/85/47/1012958547.db2.gz ICNGOSKPRYRFBG-NWDGAFQWSA-N 1 3 303.277 3.712 20 0 DHADHO COCc1ccccc1/C=C(/C)CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000623656748 1017155035 /nfs/dbraw/zinc/15/50/35/1017155035.db2.gz AWGTVCXBAVMMEF-FSEPTYSPSA-N 1 3 316.489 3.558 20 0 DHADHO COCc1ccccc1/C=C(/C)CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656748 1017155041 /nfs/dbraw/zinc/15/50/41/1017155041.db2.gz AWGTVCXBAVMMEF-FSEPTYSPSA-N 1 3 316.489 3.558 20 0 DHADHO CSc1ccc(OCC[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000075681776 1017342977 /nfs/dbraw/zinc/34/29/77/1017342977.db2.gz ZXTFYACAVGLZSH-UHFFFAOYSA-N 1 3 322.518 3.592 20 0 DHADHO CSc1ccc(OCC[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000075681776 1017342991 /nfs/dbraw/zinc/34/29/91/1017342991.db2.gz ZXTFYACAVGLZSH-UHFFFAOYSA-N 1 3 322.518 3.592 20 0 DHADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000237308574 1017449667 /nfs/dbraw/zinc/44/96/67/1017449667.db2.gz VXEDUSFASRYRAK-IRXDYDNUSA-N 1 3 304.478 3.567 20 0 DHADHO CC(C)(F)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716726676 1032701025 /nfs/dbraw/zinc/70/10/25/1032701025.db2.gz GEQOTLPLHGKUIS-KSZLIROESA-N 1 3 304.453 3.767 20 0 DHADHO CCSCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716680877 1032703277 /nfs/dbraw/zinc/70/32/77/1032703277.db2.gz IAOGVIOPWJAHKU-FHWLQOOXSA-N 1 3 318.530 3.772 20 0 DHADHO Cc1cccc(C)c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613903 1017583438 /nfs/dbraw/zinc/58/34/38/1017583438.db2.gz WFZCPVQDPTZMMU-UHFFFAOYSA-N 1 3 323.484 3.700 20 0 DHADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc2ncsc2c1 ZINC000444641870 1017613766 /nfs/dbraw/zinc/61/37/66/1017613766.db2.gz SFHUGWAAHUYKKW-AWEZNQCLSA-N 1 3 303.475 3.823 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171454597 1032716117 /nfs/dbraw/zinc/71/61/17/1032716117.db2.gz VJIJJSIUHTXPCM-WMLDXEAASA-N 1 3 322.443 3.676 20 0 DHADHO COCCC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(F)cc1 ZINC000624123593 1017694961 /nfs/dbraw/zinc/69/49/61/1017694961.db2.gz ORXJYKVEHDSGFQ-VQIMIIECSA-N 1 3 322.468 3.615 20 0 DHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624121104 1017696096 /nfs/dbraw/zinc/69/60/96/1017696096.db2.gz OAHNKYOEVQAIDN-IXDOHACOSA-N 1 3 304.478 3.509 20 0 DHADHO C[C@@H](c1ccccc1)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171305059 1017921042 /nfs/dbraw/zinc/92/10/42/1017921042.db2.gz RAJDYECEYIHHTQ-KURKYZTESA-N 1 3 316.489 3.569 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2C2CC2)C[C@H](C)O1 ZINC000674334582 1017954955 /nfs/dbraw/zinc/95/49/55/1017954955.db2.gz YIUGXDXFUFXOLX-CALCHBBNSA-N 1 3 316.489 3.543 20 0 DHADHO C[N@H+](CCCO)C1CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC000525109755 1018167250 /nfs/dbraw/zinc/16/72/50/1018167250.db2.gz MKBCYGKNHWGVRH-UHFFFAOYSA-N 1 3 324.553 3.618 20 0 DHADHO C[N@@H+](CCCO)C1CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC000525109755 1018167255 /nfs/dbraw/zinc/16/72/55/1018167255.db2.gz MKBCYGKNHWGVRH-UHFFFAOYSA-N 1 3 324.553 3.618 20 0 DHADHO Cn1cc(CC[NH2+]C2CCN(C(C)(C)C)CC2)c2ccccc21 ZINC000658215803 1018282553 /nfs/dbraw/zinc/28/25/53/1018282553.db2.gz XXMUFBZFRTUBQE-UHFFFAOYSA-N 1 3 313.489 3.573 20 0 DHADHO c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000282524438 1018366494 /nfs/dbraw/zinc/36/64/94/1018366494.db2.gz ZXDSOJCCQRNFLX-INIZCTEOSA-N 1 3 323.484 3.632 20 0 DHADHO Cc1cc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000383405086 1018399499 /nfs/dbraw/zinc/39/94/99/1018399499.db2.gz QYAUVCFLXDIZEI-IBGZPJMESA-N 1 3 324.468 3.621 20 0 DHADHO Cc1cc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000383405086 1018399508 /nfs/dbraw/zinc/39/95/08/1018399508.db2.gz QYAUVCFLXDIZEI-IBGZPJMESA-N 1 3 324.468 3.621 20 0 DHADHO C[C@@H](CC[N@@H+]1CC[C@H](CN2CCCCC2)C1)c1ccccc1 ZINC000447726539 1018460295 /nfs/dbraw/zinc/46/02/95/1018460295.db2.gz HDBRFHBRJLYTND-RBUKOAKNSA-N 1 3 300.490 3.988 20 0 DHADHO C[C@@H](CC[N@H+]1CC[C@H](CN2CCCCC2)C1)c1ccccc1 ZINC000447726539 1018460300 /nfs/dbraw/zinc/46/03/00/1018460300.db2.gz HDBRFHBRJLYTND-RBUKOAKNSA-N 1 3 300.490 3.988 20 0 DHADHO C[C@@H](CCN1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000447726539 1018460304 /nfs/dbraw/zinc/46/03/04/1018460304.db2.gz HDBRFHBRJLYTND-RBUKOAKNSA-N 1 3 300.490 3.988 20 0 DHADHO CC[C@H](Cc1cccs1)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635005062 1018509091 /nfs/dbraw/zinc/50/90/91/1018509091.db2.gz HAKNUESCBFHBGM-DLBZAZTESA-N 1 3 302.487 3.619 20 0 DHADHO COc1cc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)ccc1F ZINC000152727933 1018546286 /nfs/dbraw/zinc/54/62/86/1018546286.db2.gz MYRNJINZPMCMBL-CQSZACIVSA-N 1 3 316.420 3.747 20 0 DHADHO [NH3+][C@H]1C[C@@H](NCCc2cccc3cccnc32)c2ccccc21 ZINC000261843414 1018560520 /nfs/dbraw/zinc/56/05/20/1018560520.db2.gz IWOYUZVTTKVOQS-RBUKOAKNSA-N 1 3 303.409 3.512 20 0 DHADHO CC[C@@H](Cc1cccs1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000675784581 1018589429 /nfs/dbraw/zinc/58/94/29/1018589429.db2.gz ZHGJUMQAEFVDJV-BBWFWOEESA-N 1 3 324.534 3.548 20 0 DHADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC000566777948 1018759808 /nfs/dbraw/zinc/75/98/08/1018759808.db2.gz LHNNYHMMRLBOFK-HOTGVXAUSA-N 1 3 300.446 3.684 20 0 DHADHO C1CCC(N2CCC([NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)CC2)CC1 ZINC000921810731 1018892680 /nfs/dbraw/zinc/89/26/80/1018892680.db2.gz UTIJGLWMSOBJPW-ZHALLVOQSA-N 1 3 320.521 3.578 20 0 DHADHO Cc1cnc(Cl)c(CNCCCC[NH+]2CCC(C)CC2)c1 ZINC000921537536 1018952972 /nfs/dbraw/zinc/95/29/72/1018952972.db2.gz MCGHOMNUBHROTM-UHFFFAOYSA-N 1 3 309.885 3.645 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168686523 1018980715 /nfs/dbraw/zinc/98/07/15/1018980715.db2.gz YUXOXOICAYTZCN-HLLBOEOZSA-N 1 3 320.908 3.765 20 0 DHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168686523 1018980735 /nfs/dbraw/zinc/98/07/35/1018980735.db2.gz YUXOXOICAYTZCN-HLLBOEOZSA-N 1 3 320.908 3.765 20 0 DHADHO CCc1ccc([C@@H](CC)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000159122868 1019005844 /nfs/dbraw/zinc/00/58/44/1019005844.db2.gz AKLSUZCUISBIDO-HXUWFJFHSA-N 1 3 318.505 3.791 20 0 DHADHO CN(C)c1ccc(CC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171619540 1032801814 /nfs/dbraw/zinc/80/18/14/1032801814.db2.gz OGDIXFFTWQSWKN-UHFFFAOYSA-N 1 3 317.521 3.536 20 0 DHADHO FC(F)(F)C1(C[NH2+]C2CCN(CC3CC3)CC2)CCCC1 ZINC000624272847 1019019520 /nfs/dbraw/zinc/01/95/20/1019019520.db2.gz RLBSITOKCRWHCZ-UHFFFAOYSA-N 1 3 304.400 3.573 20 0 DHADHO CN1C(C)(C)CC([NH+]2CCC(C(F)(F)F)CC2)CC1(C)C ZINC001171632204 1032796766 /nfs/dbraw/zinc/79/67/66/1032796766.db2.gz WUGXWAZIMWICBU-UHFFFAOYSA-N 1 3 306.416 3.912 20 0 DHADHO COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171625520 1032805246 /nfs/dbraw/zinc/80/52/46/1032805246.db2.gz KTFZNGOGCUXEIU-SFHVURJKSA-N 1 3 316.489 3.924 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccncc2s1 ZINC000657838046 1019089506 /nfs/dbraw/zinc/08/95/06/1019089506.db2.gz NEOCFWPWGLYWRU-AEGPPILISA-N 1 3 301.459 3.574 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc2ccncc2s1 ZINC000657838046 1019089521 /nfs/dbraw/zinc/08/95/21/1019089521.db2.gz NEOCFWPWGLYWRU-AEGPPILISA-N 1 3 301.459 3.574 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657843111 1019128585 /nfs/dbraw/zinc/12/85/85/1019128585.db2.gz FACGVYANTZIALI-KBPBESRZSA-N 1 3 303.475 3.679 20 0 DHADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657843111 1019128598 /nfs/dbraw/zinc/12/85/98/1019128598.db2.gz FACGVYANTZIALI-KBPBESRZSA-N 1 3 303.475 3.679 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657843111 1019128607 /nfs/dbraw/zinc/12/86/07/1019128607.db2.gz FACGVYANTZIALI-KBPBESRZSA-N 1 3 303.475 3.679 20 0 DHADHO CN1C(C)(C)CC([NH2+]CC(C)(C)Cc2ccncc2)CC1(C)C ZINC001171627143 1032810378 /nfs/dbraw/zinc/81/03/78/1032810378.db2.gz LUWIKIPJJDOTFX-UHFFFAOYSA-N 1 3 317.521 3.891 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(F)c3cccnc23)[C@H](C)C1 ZINC000081095560 1019160391 /nfs/dbraw/zinc/16/03/91/1019160391.db2.gz ADONIFXCBBDCGD-KDOFPFPSSA-N 1 3 315.436 3.536 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c3cccnc23)[C@H](C)C1 ZINC000081095560 1019160398 /nfs/dbraw/zinc/16/03/98/1019160398.db2.gz ADONIFXCBBDCGD-KDOFPFPSSA-N 1 3 315.436 3.536 20 0 DHADHO [NH3+]CC[C@H]1CCN(Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000923480504 1019231620 /nfs/dbraw/zinc/23/16/20/1019231620.db2.gz HVVFSJQYHFUCDF-NSHDSACASA-N 1 3 324.255 3.712 20 0 DHADHO [NH3+]CC[C@@H]1CCN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000923481349 1019231938 /nfs/dbraw/zinc/23/19/38/1019231938.db2.gz QTQKQLUBIHGJLP-GFCCVEGCSA-N 1 3 321.877 3.634 20 0 DHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657857011 1019317919 /nfs/dbraw/zinc/31/79/19/1019317919.db2.gz AVGIQFBDCSOTKL-CYBMUJFWSA-N 1 3 311.420 3.934 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(OCc2ccccc2)c1 ZINC000105480553 1019431315 /nfs/dbraw/zinc/43/13/15/1019431315.db2.gz GHHOXVVHBCHMQC-UWJYYQICSA-N 1 3 324.468 3.695 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(OCc2ccccc2)c1 ZINC000105480553 1019431320 /nfs/dbraw/zinc/43/13/20/1019431320.db2.gz GHHOXVVHBCHMQC-UWJYYQICSA-N 1 3 324.468 3.695 20 0 DHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](c3ccncc3)C2)CC1(C)C ZINC001171636461 1032833763 /nfs/dbraw/zinc/83/37/63/1032833763.db2.gz DXUYGEBFUXGXQV-MRXNPFEDSA-N 1 3 301.478 3.522 20 0 DHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](c3ccncc3)C2)CC1(C)C ZINC001171636461 1032833778 /nfs/dbraw/zinc/83/37/78/1032833778.db2.gz DXUYGEBFUXGXQV-MRXNPFEDSA-N 1 3 301.478 3.522 20 0 DHADHO COCCC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(F)cc1 ZINC000282218200 1019678781 /nfs/dbraw/zinc/67/87/81/1019678781.db2.gz HUMJILOOSCFWMW-QYZOEREBSA-N 1 3 322.468 3.756 20 0 DHADHO Cc1cc(N[C@H]2CN(C)Cc3ccccc32)c2ccccc2[nH+]1 ZINC000534530559 1019797573 /nfs/dbraw/zinc/79/75/73/1019797573.db2.gz FSRDUXKWKZWXMN-FQEVSTJZSA-N 1 3 303.409 3.564 20 0 DHADHO CC(C)[NH+]1CCC(N[C@H](C)c2cc3ccncc3s2)CC1 ZINC000657909269 1019935355 /nfs/dbraw/zinc/93/53/55/1019935355.db2.gz OVLYHWQKHGKVGU-CYBMUJFWSA-N 1 3 303.475 3.820 20 0 DHADHO C[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1)CN(C)C ZINC000309746069 1020063289 /nfs/dbraw/zinc/06/32/89/1020063289.db2.gz XQZXBPXZLJXYNI-QGZVFWFLSA-N 1 3 312.457 3.553 20 0 DHADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000658167337 1020200785 /nfs/dbraw/zinc/20/07/85/1020200785.db2.gz XOZUDTIWXFUCHT-OALUTQOASA-N 1 3 315.505 3.708 20 0 DHADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1(C)C ZINC000765805456 1020262959 /nfs/dbraw/zinc/26/29/59/1020262959.db2.gz CNDYMYXFMOGWGI-MOPGFXCFSA-N 1 3 322.537 3.823 20 0 DHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171808036 1032894519 /nfs/dbraw/zinc/89/45/19/1032894519.db2.gz XIWMFQAFUWDOPH-KSZLIROESA-N 1 3 316.464 3.632 20 0 DHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171808036 1032894535 /nfs/dbraw/zinc/89/45/35/1032894535.db2.gz XIWMFQAFUWDOPH-KSZLIROESA-N 1 3 316.464 3.632 20 0 DHADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1[C@H]1Cc2cccc(F)c2C1 ZINC001171808036 1032894551 /nfs/dbraw/zinc/89/45/51/1032894551.db2.gz XIWMFQAFUWDOPH-KSZLIROESA-N 1 3 316.464 3.632 20 0 DHADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1[C@H]1Cc2cccc(F)c2C1 ZINC001171808036 1032894568 /nfs/dbraw/zinc/89/45/68/1032894568.db2.gz XIWMFQAFUWDOPH-KSZLIROESA-N 1 3 316.464 3.632 20 0 DHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(O)cc1 ZINC000390717747 1020371930 /nfs/dbraw/zinc/37/19/30/1020371930.db2.gz JMILQPWLOQKZGT-FQEVSTJZSA-N 1 3 324.468 3.783 20 0 DHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(O)cc1 ZINC000390717747 1020371939 /nfs/dbraw/zinc/37/19/39/1020371939.db2.gz JMILQPWLOQKZGT-FQEVSTJZSA-N 1 3 324.468 3.783 20 0 DHADHO C[C@H](Cc1ccccn1)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000655836251 1020410859 /nfs/dbraw/zinc/41/08/59/1020410859.db2.gz GRQBJORKPOOGCA-QKLQHJQFSA-N 1 3 315.505 3.645 20 0 DHADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000766045675 1020597725 /nfs/dbraw/zinc/59/77/25/1020597725.db2.gz TUVJEONBLBQSSA-KDOFPFPSSA-N 1 3 304.478 3.639 20 0 DHADHO COc1ccc(Cl)cc1C[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000734849381 1020668760 /nfs/dbraw/zinc/66/87/60/1020668760.db2.gz CYBIPVKBKGYPSC-MRXNPFEDSA-N 1 3 312.885 3.805 20 0 DHADHO C[NH+](C)CC[C@@H](NCc1ccc2c(c1)CC(C)(C)O2)C(C)(C)C ZINC000734850548 1020670096 /nfs/dbraw/zinc/67/00/96/1020670096.db2.gz ZMUTZBHJNWQBKA-GOSISDBHSA-N 1 3 318.505 3.856 20 0 DHADHO CCC[N@H+](CCCN)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171958595 1032926018 /nfs/dbraw/zinc/92/60/18/1032926018.db2.gz CTFMVRVPIHEXLU-ZDUSSCGKSA-N 1 3 302.384 3.697 20 0 DHADHO CCC[N@@H+](CCCN)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171958595 1032926028 /nfs/dbraw/zinc/92/60/28/1032926028.db2.gz CTFMVRVPIHEXLU-ZDUSSCGKSA-N 1 3 302.384 3.697 20 0 DHADHO CC[C@@H]1CN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647497828 1020767630 /nfs/dbraw/zinc/76/76/30/1020767630.db2.gz WTWPNXWAYFSLEX-XJKCOSOUSA-N 1 3 314.395 3.868 20 0 DHADHO CC(C)CCN1CCC([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC000926738938 1020903650 /nfs/dbraw/zinc/90/36/50/1020903650.db2.gz WUHIRNAGHXWYAU-ZDUSSCGKSA-N 1 3 307.309 3.670 20 0 DHADHO CC(C)(C)O[C@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000414123891 1020915950 /nfs/dbraw/zinc/91/59/50/1020915950.db2.gz BRUHCRNSZXMHGO-GQGLESIBSA-N 1 3 308.510 3.575 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414182403 1020969300 /nfs/dbraw/zinc/96/93/00/1020969300.db2.gz MYZKVJKCCJDRAS-ZNZZXWJUSA-N 1 3 310.844 3.653 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414182403 1020969304 /nfs/dbraw/zinc/96/93/04/1020969304.db2.gz MYZKVJKCCJDRAS-ZNZZXWJUSA-N 1 3 310.844 3.653 20 0 DHADHO CO[C@@](C)([C@H](C)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C1CC1 ZINC000414240585 1021024647 /nfs/dbraw/zinc/02/46/47/1021024647.db2.gz NNSCCXOROXWHFJ-LPWQTFTOSA-N 1 3 322.537 3.823 20 0 DHADHO N[C@H]1C[C@H]([NH2+]C2(CCOCc3ccccc3)CC2)c2ccccc21 ZINC000423023869 1021085148 /nfs/dbraw/zinc/08/51/48/1021085148.db2.gz IIOQRXQOLRMVOF-PMACEKPBSA-N 1 3 322.452 3.860 20 0 DHADHO C[C@@H](N[C@@H]1C[C@H]1c1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414341598 1021111012 /nfs/dbraw/zinc/11/10/12/1021111012.db2.gz IAXFCVORCCIREE-QXCFHYIPSA-N 1 3 310.441 3.636 20 0 DHADHO C[C@@H](N[C@@H]1C[C@H]1c1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414341598 1021111017 /nfs/dbraw/zinc/11/10/17/1021111017.db2.gz IAXFCVORCCIREE-QXCFHYIPSA-N 1 3 310.441 3.636 20 0 DHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414349911 1021120779 /nfs/dbraw/zinc/12/07/79/1021120779.db2.gz YKEHQNKVOJKINR-WZGPROSRSA-N 1 3 310.441 3.636 20 0 DHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414349911 1021120782 /nfs/dbraw/zinc/12/07/82/1021120782.db2.gz YKEHQNKVOJKINR-WZGPROSRSA-N 1 3 310.441 3.636 20 0 DHADHO CC(C)[C@H]([NH3+])CCN(C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000251316842 1021220570 /nfs/dbraw/zinc/22/05/70/1021220570.db2.gz LJHRXNLAPAGOKO-IUODEOHRSA-N 1 3 300.393 3.654 20 0 DHADHO COc1ccc([C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)C2CC2)cc1 ZINC000091367781 1021278644 /nfs/dbraw/zinc/27/86/44/1021278644.db2.gz NAPKGBZFALKERV-JENIJYKNSA-N 1 3 302.462 3.609 20 0 DHADHO COc1ccc(CNCCCC[N@@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000589836667 1021501867 /nfs/dbraw/zinc/50/18/67/1021501867.db2.gz OSKBJJHRWVNMEE-HNNXBMFYSA-N 1 3 324.896 3.950 20 0 DHADHO COc1ccc(CNCCCC[N@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000589836667 1021501880 /nfs/dbraw/zinc/50/18/80/1021501880.db2.gz OSKBJJHRWVNMEE-HNNXBMFYSA-N 1 3 324.896 3.950 20 0 DHADHO C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123136 1021552058 /nfs/dbraw/zinc/55/20/58/1021552058.db2.gz GLYWCADBPJDPKF-JKSUJKDBSA-N 1 3 300.446 3.685 20 0 DHADHO C[N@@H+](Cc1cccs1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093336801 1021563698 /nfs/dbraw/zinc/56/36/98/1021563698.db2.gz IQGZAEDBZZXCLK-QGZVFWFLSA-N 1 3 300.471 3.702 20 0 DHADHO C[N@H+](Cc1cccs1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093336801 1021563708 /nfs/dbraw/zinc/56/37/08/1021563708.db2.gz IQGZAEDBZZXCLK-QGZVFWFLSA-N 1 3 300.471 3.702 20 0 DHADHO [NH3+]CCC1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000070187484 1021579503 /nfs/dbraw/zinc/57/95/03/1021579503.db2.gz AIOXSXQQXJRDSR-UHFFFAOYSA-N 1 3 318.408 3.859 20 0 DHADHO CCc1oc2ccccc2c1C[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000093770276 1021677162 /nfs/dbraw/zinc/67/71/62/1021677162.db2.gz HRAQMPPTOJTJED-HNNXBMFYSA-N 1 3 300.446 3.769 20 0 DHADHO CCc1oc2ccccc2c1C[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000093770276 1021677170 /nfs/dbraw/zinc/67/71/70/1021677170.db2.gz HRAQMPPTOJTJED-HNNXBMFYSA-N 1 3 300.446 3.769 20 0 DHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000093943687 1021701541 /nfs/dbraw/zinc/70/15/41/1021701541.db2.gz RJTNAEVGYOGNCX-INIZCTEOSA-N 1 3 303.494 3.668 20 0 DHADHO Cc1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C1CC1 ZINC000556584282 1021783366 /nfs/dbraw/zinc/78/33/66/1021783366.db2.gz SVDCZAXZPUAHAV-AQNXPRMDSA-N 1 3 300.490 3.779 20 0 DHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3cc(Cl)ccc31)C2 ZINC001172107393 1033011655 /nfs/dbraw/zinc/01/16/55/1033011655.db2.gz WRJDHBUCZMXUFA-DFGXFYAUSA-N 1 3 304.865 3.932 20 0 DHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3cc(Cl)ccc31)C2 ZINC001172107393 1033011658 /nfs/dbraw/zinc/01/16/58/1033011658.db2.gz WRJDHBUCZMXUFA-DFGXFYAUSA-N 1 3 304.865 3.932 20 0 DHADHO C[C@H](N)c1ncc(-c2ccccc2)n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172111492 1033015123 /nfs/dbraw/zinc/01/51/23/1033015123.db2.gz RQQBROVDODVOKL-OWLYRPNTSA-N 1 3 324.472 3.758 20 0 DHADHO C[C@H](N)c1ncc(-c2ccccc2)n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172111492 1033015133 /nfs/dbraw/zinc/01/51/33/1033015133.db2.gz RQQBROVDODVOKL-OWLYRPNTSA-N 1 3 324.472 3.758 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2ccccc2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000556872483 1021914071 /nfs/dbraw/zinc/91/40/71/1021914071.db2.gz XTLNIPTVYJFLIM-KBMXLJTQSA-N 1 3 312.379 3.668 20 0 DHADHO C[N@H+]1CC[C@H](NCc2ccccc2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000556872483 1021914075 /nfs/dbraw/zinc/91/40/75/1021914075.db2.gz XTLNIPTVYJFLIM-KBMXLJTQSA-N 1 3 312.379 3.668 20 0 DHADHO CN1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000556872483 1021914078 /nfs/dbraw/zinc/91/40/78/1021914078.db2.gz XTLNIPTVYJFLIM-KBMXLJTQSA-N 1 3 312.379 3.668 20 0 DHADHO CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000556879003 1021921799 /nfs/dbraw/zinc/92/17/99/1021921799.db2.gz CXEVKPGOHXVEDE-DJIMGWMZSA-N 1 3 322.880 3.701 20 0 DHADHO CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000556879003 1021921805 /nfs/dbraw/zinc/92/18/05/1021921805.db2.gz CXEVKPGOHXVEDE-DJIMGWMZSA-N 1 3 322.880 3.701 20 0 DHADHO CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000556879003 1021921810 /nfs/dbraw/zinc/92/18/10/1021921810.db2.gz CXEVKPGOHXVEDE-DJIMGWMZSA-N 1 3 322.880 3.701 20 0 DHADHO CC(C)(C)OC1CC([NH+]2CCC(NCc3ccccc3)CC2)C1 ZINC000852115257 1022079573 /nfs/dbraw/zinc/07/95/73/1022079573.db2.gz DIXXBKYBIASABP-UHFFFAOYSA-N 1 3 316.489 3.587 20 0 DHADHO CC1(C)[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925525778 1022183542 /nfs/dbraw/zinc/18/35/42/1022183542.db2.gz FBZXIDOJPNMJNM-IPOFZDNWSA-N 1 3 318.427 3.721 20 0 DHADHO C[C@H]1CN(Cc2cc(F)ccc2C(F)(F)F)CCC[C@H]1C[NH3+] ZINC001205995981 1022203197 /nfs/dbraw/zinc/20/31/97/1022203197.db2.gz SRXRPEDAIXCGAJ-RYUDHWBXSA-N 1 3 318.358 3.651 20 0 DHADHO C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001205997035 1022224470 /nfs/dbraw/zinc/22/44/70/1022224470.db2.gz YWEROVLNZDKPFZ-AAEUAGOBSA-N 1 3 301.261 3.800 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)Cc1cccc(Br)c1)C2 ZINC001169126813 1022260152 /nfs/dbraw/zinc/26/01/52/1022260152.db2.gz XTIIKSVDXGQXBI-MUJYYYPQSA-N 1 3 323.278 3.506 20 0 DHADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)Cc1cccc(Br)c1)C2 ZINC001169126813 1022260162 /nfs/dbraw/zinc/26/01/62/1022260162.db2.gz XTIIKSVDXGQXBI-MUJYYYPQSA-N 1 3 323.278 3.506 20 0 DHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001169109599 1022268043 /nfs/dbraw/zinc/26/80/43/1022268043.db2.gz FQXNKXNPGKBPSR-OKYOBFRVSA-N 1 3 302.437 3.882 20 0 DHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001169109599 1022268049 /nfs/dbraw/zinc/26/80/49/1022268049.db2.gz FQXNKXNPGKBPSR-OKYOBFRVSA-N 1 3 302.437 3.882 20 0 DHADHO CN(c1ccccc1)c1ccc(CNC2CC[NH+](C)CC2)cc1 ZINC000620857512 1022364249 /nfs/dbraw/zinc/36/42/49/1022364249.db2.gz GIQAGSCLMGCTND-UHFFFAOYSA-N 1 3 309.457 3.638 20 0 DHADHO CC[C@@H](COC)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000155244914 1022382840 /nfs/dbraw/zinc/38/28/40/1022382840.db2.gz SCZJTUVQDRJCLJ-KRWDZBQOSA-N 1 3 324.896 3.567 20 0 DHADHO C[C@@H]([NH2+][C@@H](C)c1ccncc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272260282 1022498232 /nfs/dbraw/zinc/49/82/32/1022498232.db2.gz WZBWXLKWKZTKJM-SQGPQFPESA-N 1 3 309.457 3.643 20 0 DHADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1cncs1 ZINC000272366957 1022500159 /nfs/dbraw/zinc/50/01/59/1022500159.db2.gz TXQQDGNRAKWJAY-YQQAZPJKSA-N 1 3 315.486 3.704 20 0 DHADHO Fc1ccc(F)c(CCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000157194483 1022531981 /nfs/dbraw/zinc/53/19/81/1022531981.db2.gz URCRIPLIWOEWQF-UHFFFAOYSA-N 1 3 322.443 3.894 20 0 DHADHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000158230472 1022618129 /nfs/dbraw/zinc/61/81/29/1022618129.db2.gz LNQRUQIRYPXMGD-XJKSGUPXSA-N 1 3 312.404 3.671 20 0 DHADHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000158230472 1022618136 /nfs/dbraw/zinc/61/81/36/1022618136.db2.gz LNQRUQIRYPXMGD-XJKSGUPXSA-N 1 3 312.404 3.671 20 0 DHADHO ClC1(Cl)C[C@@H]1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000856805736 1022872652 /nfs/dbraw/zinc/87/26/52/1022872652.db2.gz ULOUOEWYXQJNKK-ZDUSSCGKSA-N 1 3 319.320 3.957 20 0 DHADHO Cc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1Oc1cccnc1 ZINC000414925406 1022922014 /nfs/dbraw/zinc/92/20/14/1022922014.db2.gz LTFGJPAATIAOTG-SJORKVTESA-N 1 3 311.429 3.542 20 0 DHADHO FC1(F)CCC(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925660590 1023005971 /nfs/dbraw/zinc/00/59/71/1023005971.db2.gz OJLUFVDJANFGHY-HZPDHXFCSA-N 1 3 300.437 3.570 20 0 DHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCC2(CCCC2)O1 ZINC000859213683 1033099755 /nfs/dbraw/zinc/09/97/55/1033099755.db2.gz ZCGXOJCPLXHRFV-IBGZPJMESA-N 1 3 316.489 3.672 20 0 DHADHO CCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000167675681 1023041863 /nfs/dbraw/zinc/04/18/63/1023041863.db2.gz MRMBYTFPLOSWTD-LZLYRXPVSA-N 1 3 304.478 3.602 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H]2CCSc3cc(C)c(C)cc32)C1 ZINC000249772634 1023061052 /nfs/dbraw/zinc/06/10/52/1023061052.db2.gz BVRPCOOEWGGILA-WBVHZDCISA-N 1 3 304.503 3.772 20 0 DHADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000660415426 1023149311 /nfs/dbraw/zinc/14/93/11/1023149311.db2.gz COZSHGUEECZFER-RLLQIKCJSA-N 1 3 300.490 3.986 20 0 DHADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000660415426 1023149317 /nfs/dbraw/zinc/14/93/17/1023149317.db2.gz COZSHGUEECZFER-RLLQIKCJSA-N 1 3 300.490 3.986 20 0 DHADHO C[C@H]1C[C@@H]1c1ccc(CN2CCC(CCC[NH+](C)C)CC2)o1 ZINC000538752479 1033170648 /nfs/dbraw/zinc/17/06/48/1033170648.db2.gz OERGOVZMCKVQKQ-YJBOKZPZSA-N 1 3 304.478 3.957 20 0 DHADHO Cc1nc(C)c([C@@H](C)N(C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000662264554 1024040561 /nfs/dbraw/zinc/04/05/61/1024040561.db2.gz SOWXIIUNFHCGEG-CYBMUJFWSA-N 1 3 315.486 3.599 20 0 DHADHO CC[C@H](CC(C)C)[NH+]1CCC(N)(Cc2cccc(OC)c2)CC1 ZINC001172398473 1033183603 /nfs/dbraw/zinc/18/36/03/1033183603.db2.gz GJICZHCLJXXWMT-GOSISDBHSA-N 1 3 318.505 3.856 20 0 DHADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000662281945 1024062489 /nfs/dbraw/zinc/06/24/89/1024062489.db2.gz MSZJRADGEGICOC-CYBMUJFWSA-N 1 3 300.833 3.837 20 0 DHADHO C[C@H](c1c(F)cccc1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297429 1024079899 /nfs/dbraw/zinc/07/98/99/1024079899.db2.gz PRHCWQRPSNXBRA-UKRRQHHQSA-N 1 3 308.416 3.737 20 0 DHADHO CC(C)[C@H](NCc1ccc2c(c1)C[NH2+]CC2)c1ccccc1F ZINC000662302890 1024087949 /nfs/dbraw/zinc/08/79/49/1024087949.db2.gz PEIYNVDDATYWHX-FQEVSTJZSA-N 1 3 312.432 3.958 20 0 DHADHO CC[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(OC)cc1 ZINC000269003794 1024217732 /nfs/dbraw/zinc/21/77/32/1024217732.db2.gz MFTYRMVSIIGAJY-LJQANCHMSA-N 1 3 302.462 3.753 20 0 DHADHO C[C@@H](c1ccccc1Br)N1CCC(CC[NH3+])CC1 ZINC000070183654 1024285832 /nfs/dbraw/zinc/28/58/32/1024285832.db2.gz KTLWLBBEACQXNR-LBPRGKRZSA-N 1 3 311.267 3.571 20 0 DHADHO C[C@H](CCCc1cccnc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000453090880 1024326545 /nfs/dbraw/zinc/32/65/45/1024326545.db2.gz POTBIJIPOQPBCH-MSOLQXFVSA-N 1 3 303.494 3.647 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CCCc2cccnc2)C1 ZINC000453115933 1024343640 /nfs/dbraw/zinc/34/36/40/1024343640.db2.gz XIVRQGRTNJQQKO-HKUYNNGSSA-N 1 3 303.494 3.503 20 0 DHADHO FC1(F)CC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453210863 1024404904 /nfs/dbraw/zinc/40/49/04/1024404904.db2.gz MOYUUWDOFYNLDM-KZNAEPCWSA-N 1 3 320.427 3.817 20 0 DHADHO FC1(F)CC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453210863 1024404915 /nfs/dbraw/zinc/40/49/15/1024404915.db2.gz MOYUUWDOFYNLDM-KZNAEPCWSA-N 1 3 320.427 3.817 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467916 1024409907 /nfs/dbraw/zinc/40/99/07/1024409907.db2.gz ILFHQXBFEWDZOS-QFBILLFUSA-N 1 3 318.480 3.858 20 0 DHADHO [NH3+][C@@H]1C[C@@H](NCCc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000643456646 1024468763 /nfs/dbraw/zinc/46/87/63/1024468763.db2.gz RCQPUWGZFZQJTD-IAGOWNOFSA-N 1 3 320.358 3.982 20 0 DHADHO CC(C)COCC[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001172462368 1033216247 /nfs/dbraw/zinc/21/62/47/1033216247.db2.gz FMTHZJOZVIVLMF-QGZVFWFLSA-N 1 3 310.526 3.682 20 0 DHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000271497479 1024522102 /nfs/dbraw/zinc/52/21/02/1024522102.db2.gz LLIFCFGDHMPBFS-SCLBCKFNSA-N 1 3 321.428 3.632 20 0 DHADHO COc1cccc2cc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)N4C)oc21 ZINC000321019534 1024645298 /nfs/dbraw/zinc/64/52/98/1024645298.db2.gz BFMGYJJIFATKHB-MQVJKMGUSA-N 1 3 314.429 3.546 20 0 DHADHO Cc1ncccc1CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350552799 1024828127 /nfs/dbraw/zinc/82/81/27/1024828127.db2.gz GBZAOUCOGKBRII-SFTDATJTSA-N 1 3 323.484 3.562 20 0 DHADHO CC[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000319865148 1024854250 /nfs/dbraw/zinc/85/42/50/1024854250.db2.gz SEMVITBLFLKSDK-QGZVFWFLSA-N 1 3 320.477 3.621 20 0 DHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCSc3c(F)cccc32)[C@@H]2CCC[C@H]21 ZINC000353401801 1025054036 /nfs/dbraw/zinc/05/40/36/1025054036.db2.gz IGLBROGYCGCMCV-KKBVYLPWSA-N 1 3 320.477 3.825 20 0 DHADHO C[N@H+]1CC[C@H](N[C@@H]2CCSc3c(F)cccc32)[C@@H]2CCC[C@H]21 ZINC000353401801 1025054046 /nfs/dbraw/zinc/05/40/46/1025054046.db2.gz IGLBROGYCGCMCV-KKBVYLPWSA-N 1 3 320.477 3.825 20 0 DHADHO CN(Cc1c(Cl)ccc2cccnc21)CC1CC[NH+](C)CC1 ZINC000104086498 1025175475 /nfs/dbraw/zinc/17/54/75/1025175475.db2.gz IKQZBSVTNWLHJW-UHFFFAOYSA-N 1 3 317.864 3.662 20 0 DHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(-c3ccncc3)c2)[C@@H](C)C1 ZINC000353745786 1025229752 /nfs/dbraw/zinc/22/97/52/1025229752.db2.gz AHUHXRPESIOOJQ-LAUBAEHRSA-N 1 3 323.484 3.911 20 0 DHADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(-c3ccncc3)c2)[C@@H](C)C1 ZINC000353745786 1025229774 /nfs/dbraw/zinc/22/97/74/1025229774.db2.gz AHUHXRPESIOOJQ-LAUBAEHRSA-N 1 3 323.484 3.911 20 0 DHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCOc1ccc(C(C)(C)C)cc1 ZINC000539072329 1033267944 /nfs/dbraw/zinc/26/79/44/1033267944.db2.gz PPCCTYVTUJZIGS-GJYPPUQNSA-N 1 3 318.505 3.681 20 0 DHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCOc1ccc(C(C)(C)C)cc1 ZINC000539072329 1033267954 /nfs/dbraw/zinc/26/79/54/1033267954.db2.gz PPCCTYVTUJZIGS-GJYPPUQNSA-N 1 3 318.505 3.681 20 0 DHADHO CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCCc2cc(OC)ccc21 ZINC000353970087 1025308332 /nfs/dbraw/zinc/30/83/32/1025308332.db2.gz BPPAUBBWKCZWDV-LPHOPBHVSA-N 1 3 302.462 3.537 20 0 DHADHO CCC[N@H+]1CCC[C@H]1CN[C@H]1CCCc2cc(OC)ccc21 ZINC000353970087 1025308349 /nfs/dbraw/zinc/30/83/49/1025308349.db2.gz BPPAUBBWKCZWDV-LPHOPBHVSA-N 1 3 302.462 3.537 20 0 DHADHO C[C@@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)CN1CCCCC1 ZINC000885927132 1025408747 /nfs/dbraw/zinc/40/87/47/1025408747.db2.gz NLQLOSVCETWJQC-ZWKOTPCHSA-N 1 3 308.510 3.580 20 0 DHADHO CC(C)CC[NH+]1CCC(CNCc2ccc(Cl)cn2)CC1 ZINC000886012717 1025437999 /nfs/dbraw/zinc/43/79/99/1025437999.db2.gz NKBWMIQJEBARPR-UHFFFAOYSA-N 1 3 309.885 3.583 20 0 DHADHO Clc1ccc(CNC2CCC([NH+]3CCCCC3)CC2)nc1 ZINC000886012693 1025438423 /nfs/dbraw/zinc/43/84/23/1025438423.db2.gz MUGRQYCUZDXJCN-UHFFFAOYSA-N 1 3 307.869 3.622 20 0 DHADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1cccc(OC)c1 ZINC000125769233 1025492160 /nfs/dbraw/zinc/49/21/60/1025492160.db2.gz LLBODXPRCODXNS-APWZRJJASA-N 1 3 304.478 3.856 20 0 DHADHO CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CCC2 ZINC000125857330 1025494065 /nfs/dbraw/zinc/49/40/65/1025494065.db2.gz OGUKPAWWAZXWEF-CABCVRRESA-N 1 3 321.534 3.793 20 0 DHADHO C[C@@H](CCN(C)CC[C@@H]1CCCC[N@@H+]1C)OCc1ccccc1 ZINC000354870397 1025529159 /nfs/dbraw/zinc/52/91/59/1025529159.db2.gz ZFUBOZQOXLPMPI-ICSRJNTNSA-N 1 3 318.505 3.788 20 0 DHADHO C[C@@H](CCN(C)CC[C@@H]1CCCC[N@H+]1C)OCc1ccccc1 ZINC000354870397 1025529169 /nfs/dbraw/zinc/52/91/69/1025529169.db2.gz ZFUBOZQOXLPMPI-ICSRJNTNSA-N 1 3 318.505 3.788 20 0 DHADHO CC(C)[C@H](NCCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000539163262 1033288824 /nfs/dbraw/zinc/28/88/24/1033288824.db2.gz QNNIMKOGGLCAJT-HNNXBMFYSA-N 1 3 302.384 3.944 20 0 DHADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(-c4ccncc4)c3)CC[C@H]21 ZINC000355205268 1025637054 /nfs/dbraw/zinc/63/70/54/1025637054.db2.gz JBPACQJKZGQMBW-NHCUHLMSSA-N 1 3 321.468 3.665 20 0 DHADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc(-c4ccncc4)c3)CC[C@H]21 ZINC000355205268 1025637059 /nfs/dbraw/zinc/63/70/59/1025637059.db2.gz JBPACQJKZGQMBW-NHCUHLMSSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc(-c4ccncc4)c3)CC[C@H]21 ZINC000355205268 1025637061 /nfs/dbraw/zinc/63/70/61/1025637061.db2.gz JBPACQJKZGQMBW-NHCUHLMSSA-N 1 3 321.468 3.665 20 0 DHADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)CC[C@H]21 ZINC000355205268 1025637069 /nfs/dbraw/zinc/63/70/69/1025637069.db2.gz JBPACQJKZGQMBW-NHCUHLMSSA-N 1 3 321.468 3.665 20 0 DHADHO Cc1csc([C@H](C)NC2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886522489 1025673781 /nfs/dbraw/zinc/67/37/81/1025673781.db2.gz KEWLCBSWDLZKCH-UQPPLGOBSA-N 1 3 307.507 3.899 20 0 DHADHO CC1([NH+]2CCCC2)CCC(NCc2ccc(Cl)cn2)CC1 ZINC000886562396 1025710493 /nfs/dbraw/zinc/71/04/93/1025710493.db2.gz YOGMSDNLRJCRET-UHFFFAOYSA-N 1 3 307.869 3.622 20 0 DHADHO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000886588688 1025727890 /nfs/dbraw/zinc/72/78/90/1025727890.db2.gz XHDIHEBCYLMTGL-VXIBKDFQSA-N 1 3 308.510 3.577 20 0 DHADHO Cc1nc(C2CC[NH+](Cc3ccc(F)cc3F)CC2)[nH]c1C ZINC000886662862 1025770013 /nfs/dbraw/zinc/77/00/13/1025770013.db2.gz NSCXXFAYMMNNGH-UHFFFAOYSA-N 1 3 305.372 3.684 20 0 DHADHO CC[NH+]1CCC(N[C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000282826861 1025955028 /nfs/dbraw/zinc/95/50/28/1025955028.db2.gz UZYNZUPCWPVUAA-MRXNPFEDSA-N 1 3 323.278 3.510 20 0 DHADHO C[C@H]1C[C@H](N(C)Cc2cccc(-c3cccnc3)c2)CC[N@@H+]1C ZINC000093644216 1026119596 /nfs/dbraw/zinc/11/95/96/1026119596.db2.gz VSXFOPJJIIIQEB-OXJNMPFZSA-N 1 3 309.457 3.663 20 0 DHADHO C[C@H]1C[C@H](N(C)Cc2cccc(-c3cccnc3)c2)CC[N@H+]1C ZINC000093644216 1026119600 /nfs/dbraw/zinc/11/96/00/1026119600.db2.gz VSXFOPJJIIIQEB-OXJNMPFZSA-N 1 3 309.457 3.663 20 0 DHADHO COCCC[C@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000290158817 1026121802 /nfs/dbraw/zinc/12/18/02/1026121802.db2.gz LUCCKZRXQPQIGT-AZUAARDMSA-N 1 3 318.505 3.693 20 0 DHADHO Cc1ccc(CNCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000513488555 1026521582 /nfs/dbraw/zinc/52/15/82/1026521582.db2.gz XGCJGTUENMGUTE-QUCCMNQESA-N 1 3 323.484 3.780 20 0 DHADHO Cc1ccc(CNCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000513488555 1026521590 /nfs/dbraw/zinc/52/15/90/1026521590.db2.gz XGCJGTUENMGUTE-QUCCMNQESA-N 1 3 323.484 3.780 20 0 DHADHO Cc1ccoc1CNCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513544360 1026537884 /nfs/dbraw/zinc/53/78/84/1026537884.db2.gz HFKPNJVSRIIKFG-IEBWSBKVSA-N 1 3 312.457 3.978 20 0 DHADHO Cc1ccoc1CNCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513544360 1026537889 /nfs/dbraw/zinc/53/78/89/1026537889.db2.gz HFKPNJVSRIIKFG-IEBWSBKVSA-N 1 3 312.457 3.978 20 0 DHADHO CN1CC[C@H]([NH2+]CCOc2cccc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000513667003 1026555445 /nfs/dbraw/zinc/55/54/45/1026555445.db2.gz PBOKMEKKEKJUKM-AABGKKOBSA-N 1 3 324.468 3.681 20 0 DHADHO CCCCCC[C@H](CC)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001170590311 1026642967 /nfs/dbraw/zinc/64/29/67/1026642967.db2.gz HRUBKYZPMPJBHT-FHWLQOOXSA-N 1 3 310.526 3.968 20 0 DHADHO CSc1cc(C)ccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000513698276 1026671296 /nfs/dbraw/zinc/67/12/96/1026671296.db2.gz YOWGZZJHJKKNJH-GVDBMIGSSA-N 1 3 304.503 3.679 20 0 DHADHO CSc1cc(C)ccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000513698276 1026671299 /nfs/dbraw/zinc/67/12/99/1026671299.db2.gz YOWGZZJHJKKNJH-GVDBMIGSSA-N 1 3 304.503 3.679 20 0 DHADHO CSc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000513698276 1026671302 /nfs/dbraw/zinc/67/13/02/1026671302.db2.gz YOWGZZJHJKKNJH-GVDBMIGSSA-N 1 3 304.503 3.679 20 0 DHADHO CC(C)Oc1ccc(CN2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000420302390 1026800578 /nfs/dbraw/zinc/80/05/78/1026800578.db2.gz FVVPWCVSFLGADV-UHFFFAOYSA-N 1 3 322.880 3.703 20 0 DHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000420300468 1026801404 /nfs/dbraw/zinc/80/14/04/1026801404.db2.gz HNAFAQXXPDSDIF-RDJZCZTQSA-N 1 3 316.470 3.636 20 0 DHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000420300468 1026801416 /nfs/dbraw/zinc/80/14/16/1026801416.db2.gz HNAFAQXXPDSDIF-RDJZCZTQSA-N 1 3 316.470 3.636 20 0 DHADHO Cc1ccc(OC(F)F)c([C@H](C)NCC2=CC[N@H+](C)CC2)c1 ZINC000271828778 1027154213 /nfs/dbraw/zinc/15/42/13/1027154213.db2.gz DONHDXGXDNPBAM-ZDUSSCGKSA-N 1 3 310.388 3.509 20 0 DHADHO Cc1ccc(OC(F)F)c([C@H](C)NCC2=CC[N@@H+](C)CC2)c1 ZINC000271828778 1027154219 /nfs/dbraw/zinc/15/42/19/1027154219.db2.gz DONHDXGXDNPBAM-ZDUSSCGKSA-N 1 3 310.388 3.509 20 0 DHADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170663432 1027190858 /nfs/dbraw/zinc/19/08/58/1027190858.db2.gz BCLIEKLAFINXDV-YOEHRIQHSA-N 1 3 322.443 3.676 20 0 DHADHO CC(C)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000573077870 1027261048 /nfs/dbraw/zinc/26/10/48/1027261048.db2.gz SGSOSYBATKMGNU-NSHGMRRFSA-N 1 3 318.505 3.863 20 0 DHADHO Cc1ccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422700813 1027297264 /nfs/dbraw/zinc/29/72/64/1027297264.db2.gz CIZZSJNZVVOYSH-SCWSEQNSSA-N 1 3 322.452 3.902 20 0 DHADHO Cc1ccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422700810 1027297711 /nfs/dbraw/zinc/29/77/11/1027297711.db2.gz CIZZSJNZVVOYSH-LRQRDZAKSA-N 1 3 322.452 3.902 20 0 DHADHO COc1ccc(CC[C@H](C)N[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422794775 1027324877 /nfs/dbraw/zinc/32/48/77/1027324877.db2.gz ZJAFASIVBIKHAA-VHKYSDTDSA-N 1 3 310.441 3.751 20 0 DHADHO CCOc1ccc([C@H](N[C@@H](C)C[C@@H](C)[NH3+])C(C)C)cc1OCC ZINC000422799691 1027327112 /nfs/dbraw/zinc/32/71/12/1027327112.db2.gz YAPWIJVIHNGSRV-ZRGWGRIASA-N 1 3 322.493 3.897 20 0 DHADHO COc1ccc2cc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422799257 1027328546 /nfs/dbraw/zinc/32/85/46/1027328546.db2.gz VXVYXPYYGXHKAW-QHAWAJNXSA-N 1 3 324.468 3.859 20 0 DHADHO Cc1ccc(SC2(CN[C@H](C)C3C[NH2+]C3)CCCC2)cc1 ZINC000422832832 1027334789 /nfs/dbraw/zinc/33/47/89/1027334789.db2.gz GEPRPQYUVYNJMH-OAHLLOKOSA-N 1 3 304.503 3.597 20 0 DHADHO CC[C@H](NC1CCC(C[NH3+])CC1)c1nc(C(F)(F)F)cs1 ZINC000422815362 1027337907 /nfs/dbraw/zinc/33/79/07/1027337907.db2.gz XMZNGALRQOPEIU-ILDUYXDCSA-N 1 3 321.412 3.720 20 0 DHADHO Cc1ccc(SC2(CN[C@H]3CCC[C@H]3[NH3+])CCCC2)cc1 ZINC000422838000 1027339487 /nfs/dbraw/zinc/33/94/87/1027339487.db2.gz NLKXHZCNINOJJK-SJORKVTESA-N 1 3 304.503 3.869 20 0 DHADHO CCOCCC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCCC1 ZINC000422890437 1027350940 /nfs/dbraw/zinc/35/09/40/1027350940.db2.gz SDFFKFYGTIWZQW-QZTJIDSGSA-N 1 3 302.462 3.708 20 0 DHADHO Cc1ccc(OCCCCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422897144 1027353356 /nfs/dbraw/zinc/35/33/56/1027353356.db2.gz JEEBFRIYJHUIDY-WOJBJXKFSA-N 1 3 310.441 3.888 20 0 DHADHO Cc1cc(C)cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000422915311 1027356957 /nfs/dbraw/zinc/35/69/57/1027356957.db2.gz ASULVSQBSMEHCS-CVEARBPZSA-N 1 3 311.473 3.747 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)Cc1ccccc1 ZINC000422912192 1027357647 /nfs/dbraw/zinc/35/76/47/1027357647.db2.gz MOILEVJCVDTLHB-OAHLLOKOSA-N 1 3 311.473 3.768 20 0 DHADHO Cc1cccc(-c2ccc(CN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2)c1 ZINC000422965726 1027371934 /nfs/dbraw/zinc/37/19/34/1027371934.db2.gz LVPODBPFBPFTLB-ORYQWCPZSA-N 1 3 324.468 3.504 20 0 DHADHO CC(C)c1ccccc1OCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422957581 1027380992 /nfs/dbraw/zinc/38/09/92/1027380992.db2.gz NMBMOWNUVHOQIF-GUDVDZBRSA-N 1 3 316.489 3.699 20 0 DHADHO CC(C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000422978951 1027381741 /nfs/dbraw/zinc/38/17/41/1027381741.db2.gz LDKAULDDJOTHNR-HAGHYFMRSA-N 1 3 315.505 3.633 20 0 DHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)c2ccccc21 ZINC000422994804 1027387704 /nfs/dbraw/zinc/38/77/04/1027387704.db2.gz WIJUFHWONRERFQ-CGXNFDGLSA-N 1 3 322.452 3.859 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423015700 1027389347 /nfs/dbraw/zinc/38/93/47/1027389347.db2.gz LFAJQIYBTWQGHP-FIXISWKDSA-N 1 3 300.368 3.872 20 0 DHADHO COc1cccc(C(C)(C)CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423006498 1027391112 /nfs/dbraw/zinc/39/11/12/1027391112.db2.gz VMUQPJRBQIZLNO-RTBURBONSA-N 1 3 310.441 3.707 20 0 DHADHO COc1cccc(C(C)(C)CN[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423006496 1027391664 /nfs/dbraw/zinc/39/16/64/1027391664.db2.gz VMUQPJRBQIZLNO-OALUTQOASA-N 1 3 310.441 3.707 20 0 DHADHO Cc1cccc([C@H](NC2CCC(C[NH3+])CC2)c2ccccn2)c1 ZINC000423020865 1027392626 /nfs/dbraw/zinc/39/26/26/1027392626.db2.gz CZVASNJPIOIUMZ-NLPFYKDJSA-N 1 3 309.457 3.587 20 0 DHADHO COc1ccc(C2(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)CCC2)cc1 ZINC000423033852 1027398300 /nfs/dbraw/zinc/39/83/00/1027398300.db2.gz OYALGURPEHVHIY-UXHICEINSA-N 1 3 322.452 3.851 20 0 DHADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423095065 1027413310 /nfs/dbraw/zinc/41/33/10/1027413310.db2.gz LHFQPQAHLZLGNM-DARAHFNDSA-N 1 3 312.379 3.668 20 0 DHADHO CSc1ccccc1[C@@H](C)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423117954 1027416841 /nfs/dbraw/zinc/41/68/41/1027416841.db2.gz XXCZVQXNZKUGNG-TZMCWYRMSA-N 1 3 315.486 3.982 20 0 DHADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423119358 1027417637 /nfs/dbraw/zinc/41/76/37/1027417637.db2.gz CFCPVTLBRBNEFM-BZUAXINKSA-N 1 3 314.395 3.657 20 0 DHADHO N[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c2ccccc21 ZINC000423122349 1027421498 /nfs/dbraw/zinc/42/14/98/1027421498.db2.gz KJTZZGWXCZXUMM-XWPNQZOQSA-N 1 3 308.425 3.641 20 0 DHADHO COc1ccc([C@H](Cc2ccccc2)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000423128676 1027425891 /nfs/dbraw/zinc/42/58/91/1027425891.db2.gz WENPWUARWOXWDO-FPOVZHCZSA-N 1 3 324.468 3.711 20 0 DHADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000423104828 1027426122 /nfs/dbraw/zinc/42/61/22/1027426122.db2.gz QDLWYFGKHCWLEX-BQFCYCMXSA-N 1 3 309.457 3.754 20 0 DHADHO CSc1ccccc1[C@H](C)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423112983 1027427555 /nfs/dbraw/zinc/42/75/55/1027427555.db2.gz XXCZVQXNZKUGNG-OCCSQVGLSA-N 1 3 315.486 3.982 20 0 DHADHO CCSc1cccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423133621 1027434650 /nfs/dbraw/zinc/43/46/50/1027434650.db2.gz QQUQNPQURUANIZ-ZDUSSCGKSA-N 1 3 315.486 3.812 20 0 DHADHO Cc1ccc(-c2nc3c(s2)[C@H](NCC[C@H](C)[NH3+])CCC3)cc1 ZINC000423227245 1027464856 /nfs/dbraw/zinc/46/48/56/1027464856.db2.gz VBEOAMAGVIBUFW-DZGCQCFKSA-N 1 3 315.486 3.823 20 0 DHADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423241146 1027473194 /nfs/dbraw/zinc/47/31/94/1027473194.db2.gz DECUGAIGEJKXDC-STQMWFEESA-N 1 3 319.449 3.599 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000423291183 1027485985 /nfs/dbraw/zinc/48/59/85/1027485985.db2.gz HECBZNWWEKDMQT-ACJLOTCBSA-N 1 3 314.404 3.849 20 0 DHADHO CCOc1ccc([C@@H](CC)[NH2+]C[C@H](N)C(C)C)cc1OCC ZINC000423280657 1027492897 /nfs/dbraw/zinc/49/28/97/1027492897.db2.gz UFBBKGJQNBXDER-JKSUJKDBSA-N 1 3 308.466 3.508 20 0 DHADHO CC(=O)Nc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423294566 1027498959 /nfs/dbraw/zinc/49/89/59/1027498959.db2.gz UVZRKXSJJQMKJL-KBPBESRZSA-N 1 3 311.429 3.516 20 0 DHADHO Cc1cc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)cs1 ZINC000295957236 1027502102 /nfs/dbraw/zinc/50/21/02/1027502102.db2.gz LVKFOCXOFKGMFQ-OAHLLOKOSA-N 1 3 318.486 3.848 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C(c1ccccc1)c1ccccc1 ZINC000423398447 1027533442 /nfs/dbraw/zinc/53/34/42/1027533442.db2.gz OYQUVDGJIUUISH-FUHIMQAGSA-N 1 3 308.469 3.795 20 0 DHADHO C[C@@H](CCC[NH3+])N[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423446353 1027542927 /nfs/dbraw/zinc/54/29/27/1027542927.db2.gz CNCLDSSGWPLOCS-LIRRHRJNSA-N 1 3 309.413 3.634 20 0 DHADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423444396 1027543431 /nfs/dbraw/zinc/54/34/31/1027543431.db2.gz LSUPWSVGGGQDRL-SGMGOOAPSA-N 1 3 301.459 3.513 20 0 DHADHO C[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21)[C@H](C)N ZINC000423444395 1027544200 /nfs/dbraw/zinc/54/42/00/1027544200.db2.gz LSUPWSVGGGQDRL-SCRDCRAPSA-N 1 3 301.459 3.513 20 0 DHADHO C[C@@H]([NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1)[C@H](C)N ZINC000423445768 1027544350 /nfs/dbraw/zinc/54/43/50/1027544350.db2.gz NIGFUAINUFSZFO-VEVIJQCQSA-N 1 3 304.384 3.574 20 0 DHADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)[C@@H](C)N)s2)cc1 ZINC000423447069 1027544813 /nfs/dbraw/zinc/54/48/13/1027544813.db2.gz OTISLZINKLZKNF-UTUOFQBUSA-N 1 3 319.474 3.513 20 0 DHADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423442121 1027545157 /nfs/dbraw/zinc/54/51/57/1027545157.db2.gz UXJPOQDVMOCRRR-KBPBESRZSA-N 1 3 303.475 3.978 20 0 DHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)N ZINC000423442163 1027545447 /nfs/dbraw/zinc/54/54/47/1027545447.db2.gz JLUOQLBUWXQXHL-AGIUHOORSA-N 1 3 303.475 3.813 20 0 DHADHO C[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)[C@H](C)N ZINC000423449208 1027546538 /nfs/dbraw/zinc/54/65/38/1027546538.db2.gz RCPUZLWWPNIMLN-WDMOLILDSA-N 1 3 319.449 3.652 20 0 DHADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423464522 1027555825 /nfs/dbraw/zinc/55/58/25/1027555825.db2.gz MDVVSONQQWBCJQ-KDOFPFPSSA-N 1 3 316.420 3.793 20 0 DHADHO CCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1OCCC ZINC000423452999 1027563140 /nfs/dbraw/zinc/56/31/40/1027563140.db2.gz WYJKCJYLZOIVDH-KFWWJZLASA-N 1 3 308.466 3.651 20 0 DHADHO CC(F)(F)CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000296189112 1027568071 /nfs/dbraw/zinc/56/80/71/1027568071.db2.gz YKEQQFJEAWDCTQ-YESZJQIVSA-N 1 3 308.416 3.532 20 0 DHADHO NC1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)C2CC3CC(C2)CC1C3 ZINC000423531760 1027575286 /nfs/dbraw/zinc/57/52/86/1027575286.db2.gz UAXGQBOMRDVJBS-OEOKKZFJSA-N 1 3 308.485 3.648 20 0 DHADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NCCC[NH2+]C1CC1 ZINC000423518995 1027577180 /nfs/dbraw/zinc/57/71/80/1027577180.db2.gz CXHNALMXNKNPJB-OLZOCXBDSA-N 1 3 303.475 3.520 20 0 DHADHO Cc1cc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)ccn1 ZINC000527532055 1027738243 /nfs/dbraw/zinc/73/82/43/1027738243.db2.gz AFZNGZPLQWSYBN-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1cc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)ccn1 ZINC000527532055 1027738253 /nfs/dbraw/zinc/73/82/53/1027738253.db2.gz AFZNGZPLQWSYBN-SFHVURJKSA-N 1 3 315.505 3.867 20 0 DHADHO Cc1cc(CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccn1 ZINC000527641334 1027798145 /nfs/dbraw/zinc/79/81/45/1027798145.db2.gz SXPLMVAGKTYAJP-KRWDZBQOSA-N 1 3 323.484 3.912 20 0 DHADHO Cc1cc(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccn1 ZINC000527641334 1027798163 /nfs/dbraw/zinc/79/81/63/1027798163.db2.gz SXPLMVAGKTYAJP-KRWDZBQOSA-N 1 3 323.484 3.912 20 0 DHADHO c1cc2cnccc2c(CNC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000527753297 1027880571 /nfs/dbraw/zinc/88/05/71/1027880571.db2.gz SEBGZEZWEPIYLO-LJQANCHMSA-N 1 3 309.457 3.731 20 0 DHADHO c1cc2cnccc2c(CNC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000527753297 1027880589 /nfs/dbraw/zinc/88/05/89/1027880589.db2.gz SEBGZEZWEPIYLO-LJQANCHMSA-N 1 3 309.457 3.731 20 0 DHADHO CC1(C)[C@@H]2C[C@H](N3CCC([NH3+])(c4cccc(F)c4)CC3)C[C@@H]21 ZINC001170736869 1027973576 /nfs/dbraw/zinc/97/35/76/1027973576.db2.gz DNMLRWWNHKMUSE-BJWYYQGGSA-N 1 3 302.437 3.510 20 0 DHADHO CC1CCC(N2CCC([N@H+](C)C[C@@H]3CCSC3)CC2)CC1 ZINC000369485901 1028493990 /nfs/dbraw/zinc/49/39/90/1028493990.db2.gz SPPUYCLEGUJVJC-PQUAAJSLSA-N 1 3 310.551 3.714 20 0 DHADHO CC1CCC(N2CCC([N@@H+](C)C[C@@H]3CCSC3)CC2)CC1 ZINC000369485901 1028493993 /nfs/dbraw/zinc/49/39/93/1028493993.db2.gz SPPUYCLEGUJVJC-PQUAAJSLSA-N 1 3 310.551 3.714 20 0 DHADHO COC1(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCCC1 ZINC000449345781 1028555971 /nfs/dbraw/zinc/55/59/71/1028555971.db2.gz JUZICOXPBFRDHU-AEFFLSMTSA-N 1 3 308.510 3.578 20 0 DHADHO N[C@H]1C[C@H]([NH2+]CCc2ccc3ccccc3n2)c2ccccc21 ZINC000565886112 1028648523 /nfs/dbraw/zinc/64/85/23/1028648523.db2.gz JYNWMWQEEDESFJ-ICSRJNTNSA-N 1 3 303.409 3.512 20 0 DHADHO CC(C)(C)c1csc(CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)n1 ZINC000566004108 1028665560 /nfs/dbraw/zinc/66/55/60/1028665560.db2.gz RNFLGGWNJVBOKC-CABCVRRESA-N 1 3 315.486 3.718 20 0 DHADHO CC(C)[C@@H](CO)[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000449513002 1028737603 /nfs/dbraw/zinc/73/76/03/1028737603.db2.gz RCXAWSSUCIVBOZ-UXHICEINSA-N 1 3 324.553 3.662 20 0 DHADHO CC[C@@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H](O)CC ZINC000449646127 1028876962 /nfs/dbraw/zinc/87/69/62/1028876962.db2.gz NHMOUFBFWHDMCF-SJORKVTESA-N 1 3 312.542 3.805 20 0 DHADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@]3(C)CCCS3)C2)CC1 ZINC000628156697 1028910713 /nfs/dbraw/zinc/91/07/13/1028910713.db2.gz ZHFCZRIFZNSANH-ROUUACIJSA-N 1 3 310.551 3.716 20 0 DHADHO COc1ccc(Oc2ccc(CN[C@H](C)C[C@H](C)[NH3+])cc2)cc1 ZINC000567613347 1028928020 /nfs/dbraw/zinc/92/80/20/1028928020.db2.gz ZNTUWVPBRJUVNX-LSDHHAIUSA-N 1 3 314.429 3.703 20 0 DHADHO CC(C)(C)N1CCC([NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000373162731 1028964642 /nfs/dbraw/zinc/96/46/42/1028964642.db2.gz DKIZDIBZKWAGPT-IEBWSBKVSA-N 1 3 316.489 3.617 20 0 DHADHO CC(C)(C)[NH+]1CCC(N[C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000373162731 1028964655 /nfs/dbraw/zinc/96/46/55/1028964655.db2.gz DKIZDIBZKWAGPT-IEBWSBKVSA-N 1 3 316.489 3.617 20 0 DHADHO CCO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449760905 1028967938 /nfs/dbraw/zinc/96/79/38/1028967938.db2.gz SIVRWAMQEHOXCD-IJXRJRJASA-N 1 3 322.537 3.967 20 0 DHADHO CCO[C@@H]1CCCC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000449760905 1028967953 /nfs/dbraw/zinc/96/79/53/1028967953.db2.gz SIVRWAMQEHOXCD-IJXRJRJASA-N 1 3 322.537 3.967 20 0 DHADHO CCO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449751738 1028973712 /nfs/dbraw/zinc/97/37/12/1028973712.db2.gz AKMIITPDBYKNEL-NXWXRZEISA-N 1 3 308.510 3.577 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000568131965 1029010788 /nfs/dbraw/zinc/01/07/88/1029010788.db2.gz ZWMJBWZANFPISJ-ZULIPRJHSA-N 1 3 300.490 3.889 20 0 DHADHO Cc1cnccc1CNC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000568949918 1029149282 /nfs/dbraw/zinc/14/92/82/1029149282.db2.gz UESGOVMRTZDSCI-SJLPKXTDSA-N 1 3 315.486 3.624 20 0 DHADHO Cc1cnccc1CNC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000568949918 1029149285 /nfs/dbraw/zinc/14/92/85/1029149285.db2.gz UESGOVMRTZDSCI-SJLPKXTDSA-N 1 3 315.486 3.624 20 0 DHADHO CC[C@@H](NCc1ccc(CC[NH3+])cc1)c1cc(C)ccc1OC ZINC000817947653 1029286675 /nfs/dbraw/zinc/28/66/75/1029286675.db2.gz DWKQBOTXUAQEGD-LJQANCHMSA-N 1 3 312.457 3.746 20 0 DHADHO C[C@@H](C[NH3+])CN[C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817961792 1029300700 /nfs/dbraw/zinc/30/07/00/1029300700.db2.gz CLFDFAKEYJBGEG-IINYFYTJSA-N 1 3 300.418 3.563 20 0 DHADHO C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccc(SC(F)F)cc1 ZINC000817966988 1029307609 /nfs/dbraw/zinc/30/76/09/1029307609.db2.gz BCXQNWCIXNKJMK-UHIISALHSA-N 1 3 300.418 3.650 20 0 DHADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(-c2ccccc2)s1 ZINC000629523796 1029358084 /nfs/dbraw/zinc/35/80/84/1029358084.db2.gz JCYIIUSFWKNESY-CQSZACIVSA-N 1 3 316.470 3.574 20 0 DHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)c2ccccc2)CC1 ZINC000819077803 1029480554 /nfs/dbraw/zinc/48/05/54/1029480554.db2.gz DFPUIYCNVGUFSO-UWJYYQICSA-N 1 3 324.468 3.535 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCc2cscn2)CC1 ZINC000450494349 1029516350 /nfs/dbraw/zinc/51/63/50/1029516350.db2.gz LAXNLHPUUYXQGI-MRXNPFEDSA-N 1 3 321.534 3.662 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCc2cscn2)CC1 ZINC000450494349 1029516359 /nfs/dbraw/zinc/51/63/59/1029516359.db2.gz LAXNLHPUUYXQGI-MRXNPFEDSA-N 1 3 321.534 3.662 20 0 DHADHO CC(C)(C)CC[C@@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000475667966 1029588486 /nfs/dbraw/zinc/58/84/86/1029588486.db2.gz ICGWQYOTGLDDPL-KRWDZBQOSA-N 1 3 310.526 3.560 20 0 DHADHO CC(C)(C)CC[C@@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475667966 1029588495 /nfs/dbraw/zinc/58/84/95/1029588495.db2.gz ICGWQYOTGLDDPL-KRWDZBQOSA-N 1 3 310.526 3.560 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-c2ccccc2)s1 ZINC000530211983 1029784369 /nfs/dbraw/zinc/78/43/69/1029784369.db2.gz PPKHLFLAFIWARE-PBHICJAKSA-N 1 3 300.471 3.893 20 0 DHADHO C[NH+](C)C1(C)CCC(NCc2csc(C(C)(C)C)n2)CC1 ZINC000865765848 1030013885 /nfs/dbraw/zinc/01/38/85/1030013885.db2.gz OUKURQOTHBRXLC-UHFFFAOYSA-N 1 3 309.523 3.793 20 0 DHADHO COc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cc1F ZINC000924605875 1030137188 /nfs/dbraw/zinc/13/71/88/1030137188.db2.gz IQSTUDOJKOGPCZ-CQSZACIVSA-N 1 3 316.420 3.747 20 0 DHADHO COc1cc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc2ccccc21 ZINC000924651722 1030151350 /nfs/dbraw/zinc/15/13/50/1030151350.db2.gz ZZSRFUAESBUXEX-HOTGVXAUSA-N 1 3 324.468 3.983 20 0 DHADHO COc1cc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc2ccccc21 ZINC000924651722 1030151359 /nfs/dbraw/zinc/15/13/59/1030151359.db2.gz ZZSRFUAESBUXEX-HOTGVXAUSA-N 1 3 324.468 3.983 20 0 DHADHO CCOc1cccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924690155 1030161085 /nfs/dbraw/zinc/16/10/85/1030161085.db2.gz OOPLUBNESXQVFW-INIZCTEOSA-N 1 3 312.457 3.998 20 0 DHADHO CC1CCN(CCC[NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171013898 1030259625 /nfs/dbraw/zinc/25/96/25/1030259625.db2.gz RSIUPNYCBHYAFP-QGZVFWFLSA-N 1 3 320.908 3.909 20 0 DHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171022583 1030346294 /nfs/dbraw/zinc/34/62/94/1030346294.db2.gz NSKPJDRIRDPZER-HRCADAONSA-N 1 3 306.881 3.660 20 0 DHADHO c1cnc2c(c1)cccc2CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925532003 1030389677 /nfs/dbraw/zinc/38/96/77/1030389677.db2.gz UIBRDVQONIJBDP-PMACEKPBSA-N 1 3 323.484 3.535 20 0 DHADHO C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cncn3C)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC001171032777 1030397456 /nfs/dbraw/zinc/39/74/56/1030397456.db2.gz WSEQPDICQDXKCW-HVKXIDHRSA-N 1 3 318.509 3.790 20 0 DHADHO COc1cc(C)cc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000925603733 1030416897 /nfs/dbraw/zinc/41/68/97/1030416897.db2.gz RDENHPYACWXNTM-MRXNPFEDSA-N 1 3 312.457 3.916 20 0 DHADHO C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc2ncsc2c1 ZINC000925641959 1030431781 /nfs/dbraw/zinc/43/17/81/1030431781.db2.gz DNFAYHWNXNFMIN-FPMFFAJLSA-N 1 3 303.475 3.853 20 0 DHADHO C[C@H](N[C@H](c1cccnc1)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925646987 1030432992 /nfs/dbraw/zinc/43/29/92/1030432992.db2.gz XJIPLCMZNUSMOU-YWZLYKJASA-N 1 3 309.457 3.945 20 0 DHADHO [NH3+][C@H]1C[C@H](N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C12CCC2 ZINC000925656820 1030442753 /nfs/dbraw/zinc/44/27/53/1030442753.db2.gz PNPJUAFSDHADBF-TUUVXOQKSA-N 1 3 324.390 3.811 20 0 DHADHO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925681621 1030451525 /nfs/dbraw/zinc/45/15/25/1030451525.db2.gz WGZXUBYSSIGEMX-OWCLPIDISA-N 1 3 300.437 3.570 20 0 DHADHO CC(C)C[C@H](N)C[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001246307234 1030485884 /nfs/dbraw/zinc/48/58/84/1030485884.db2.gz DLXMFDUPZCJLHV-JSGCOSHPSA-N 1 3 300.899 3.784 20 0 DHADHO CC(C)([NH3+])CCN[C@H](c1ccc(Br)s1)C1CC1 ZINC000925737107 1030471329 /nfs/dbraw/zinc/47/13/29/1030471329.db2.gz FEOWPUFKENIBGZ-LBPRGKRZSA-N 1 3 317.296 3.679 20 0 DHADHO CN(CCC[NH+]1CCCC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171050121 1030491021 /nfs/dbraw/zinc/49/10/21/1030491021.db2.gz QLTDLCHQAKJJCA-MRXNPFEDSA-N 1 3 306.881 3.615 20 0 DHADHO CSC1CCC(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925803413 1030502422 /nfs/dbraw/zinc/50/24/22/1030502422.db2.gz ZIAFIUOCGOKATM-SYNTWQANSA-N 1 3 310.551 3.666 20 0 DHADHO COc1ccc([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1C ZINC000925827805 1030513186 /nfs/dbraw/zinc/51/31/86/1030513186.db2.gz BXRVZKDDBHUAFK-KBPBESRZSA-N 1 3 313.445 3.578 20 0 DHADHO c1ccc2ncc(CC[NH2+][C@@H]3CCNC[C@H]3C3CCCC3)cc2c1 ZINC000925834162 1030514676 /nfs/dbraw/zinc/51/46/76/1030514676.db2.gz VSKLXADUGIAUMG-PZJWPPBQSA-N 1 3 323.484 3.535 20 0 DHADHO C[C@H](c1ccc(Br)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358507403 1030517559 /nfs/dbraw/zinc/51/75/59/1030517559.db2.gz KGRKLSKAHOTJNK-CYBMUJFWSA-N 1 3 323.278 3.586 20 0 DHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000247175902 1030679431 /nfs/dbraw/zinc/67/94/31/1030679431.db2.gz YVTLTIOYPQUOKT-QKLQHJQFSA-N 1 3 316.489 3.543 20 0 DHADHO Cc1ccc2c(CN3CCC4(CC3)CC[NH+](C)CC4)c[nH]c2c1 ZINC001136975753 1030684898 /nfs/dbraw/zinc/68/48/98/1030684898.db2.gz QGKSIGIPJLHIQQ-UHFFFAOYSA-N 1 3 311.473 3.784 20 0 DHADHO Cc1ccsc1[C@@H](CO)N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925497675 1030956405 /nfs/dbraw/zinc/95/64/05/1030956405.db2.gz YCULDTGTQWLOOF-WMLDXEAASA-N 1 3 318.486 3.502 20 0 DHADHO Cc1nc([C@@H](C)NC2CCC(C)([NH+]3CCC3)CC2)c(C)s1 ZINC000927039524 1031048262 /nfs/dbraw/zinc/04/82/62/1031048262.db2.gz UYVPZRPLFOONGP-OLJMKKDRSA-N 1 3 307.507 3.818 20 0 DHADHO COc1ccc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c2ccccc12 ZINC000321471151 1031185896 /nfs/dbraw/zinc/18/58/96/1031185896.db2.gz FLCAVCVLTMCPCS-INIZCTEOSA-N 1 3 312.457 3.668 20 0 DHADHO COc1ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)c2ccccc12 ZINC000321471151 1031185906 /nfs/dbraw/zinc/18/59/06/1031185906.db2.gz FLCAVCVLTMCPCS-INIZCTEOSA-N 1 3 312.457 3.668 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000360035660 1031250080 /nfs/dbraw/zinc/25/00/80/1031250080.db2.gz BOHPJMQKODLIEJ-IRXDYDNUSA-N 1 3 321.468 3.884 20 0 DHADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000360035660 1031250086 /nfs/dbraw/zinc/25/00/86/1031250086.db2.gz BOHPJMQKODLIEJ-IRXDYDNUSA-N 1 3 321.468 3.884 20 0 DHADHO CC(C)O[C@H](CN1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000293081357 1031317897 /nfs/dbraw/zinc/31/78/97/1031317897.db2.gz WGQLNFNAQVQYEB-UXHICEINSA-N 1 3 316.489 3.570 20 0 DHADHO CC(C)O[C@H](CN1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000293081357 1031317917 /nfs/dbraw/zinc/31/79/17/1031317917.db2.gz WGQLNFNAQVQYEB-UXHICEINSA-N 1 3 316.489 3.570 20 0 DHADHO C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1cccc(O)c1 ZINC000379649336 1031427412 /nfs/dbraw/zinc/42/74/12/1031427412.db2.gz ONAOXIUURRVSHY-DLBZAZTESA-N 1 3 312.457 3.953 20 0 DHADHO CC[C@H](CCC(F)(F)F)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000872044908 1031433710 /nfs/dbraw/zinc/43/37/10/1031433710.db2.gz HHIQWWFNGSHAAS-SOUVJXGZSA-N 1 3 324.431 3.587 20 0 DHADHO CC[C@H](CCC(F)(F)F)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000872044906 1031434245 /nfs/dbraw/zinc/43/42/45/1031434245.db2.gz HHIQWWFNGSHAAS-QLFBSQMISA-N 1 3 324.431 3.587 20 0 DHADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536956981 1031480038 /nfs/dbraw/zinc/48/00/38/1031480038.db2.gz AHQMZFDQEJELMR-HNAYVOBHSA-N 1 3 304.453 3.907 20 0 DHADHO CCC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(F)c(C)c2)C2CC2)C1 ZINC000536956981 1031480045 /nfs/dbraw/zinc/48/00/45/1031480045.db2.gz AHQMZFDQEJELMR-HNAYVOBHSA-N 1 3 304.453 3.907 20 0 DHADHO CCC[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000537203209 1031537722 /nfs/dbraw/zinc/53/77/22/1031537722.db2.gz QXYHZVGJQHVYLH-HSALFYBXSA-N 1 3 300.490 3.986 20 0 DHADHO CCC[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000537203209 1031537737 /nfs/dbraw/zinc/53/77/37/1031537737.db2.gz QXYHZVGJQHVYLH-HSALFYBXSA-N 1 3 300.490 3.986 20 0 DHADHO c1c2ccccc2sc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000293874337 1031668161 /nfs/dbraw/zinc/66/81/61/1031668161.db2.gz ZUGXLNDBDOCEME-HZPDHXFCSA-N 1 3 300.471 3.660 20 0 DHADHO c1c2ccccc2sc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000293874337 1031668170 /nfs/dbraw/zinc/66/81/70/1031668170.db2.gz ZUGXLNDBDOCEME-HZPDHXFCSA-N 1 3 300.471 3.660 20 0 DHADHO C[NH+](C)CCCCCCCNCc1nc2cc(F)ccc2o1 ZINC000873024326 1031695893 /nfs/dbraw/zinc/69/58/93/1031695893.db2.gz OLFUDIODRKMJLY-UHFFFAOYSA-N 1 3 307.413 3.569 20 0 DHADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CCC2 ZINC000361061653 1031702256 /nfs/dbraw/zinc/70/22/56/1031702256.db2.gz UJXRENRPKLOBDL-JXFKEZNVSA-N 1 3 316.489 3.783 20 0 DHADHO CC(C)n1cc(CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232259 1031766571 /nfs/dbraw/zinc/76/65/71/1031766571.db2.gz NVRJJIZYHOWWNE-LPHOPBHVSA-N 1 3 318.509 3.584 20 0 DHADHO COCc1ccc(CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000873231690 1031766960 /nfs/dbraw/zinc/76/69/60/1031766960.db2.gz AENDFPMEFJYNLL-BEFAXECRSA-N 1 3 320.477 3.546 20 0 DHADHO CC(C)(C)c1nc(CN[C@@H]2CCCCC23CC[NH2+]CC3)cs1 ZINC000873232321 1031768401 /nfs/dbraw/zinc/76/84/01/1031768401.db2.gz FCSKECZPNVRKIO-OAHLLOKOSA-N 1 3 321.534 3.843 20 0 DHADHO COc1ccc([C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C2CC2)cc1 ZINC000873244537 1031773099 /nfs/dbraw/zinc/77/30/99/1031773099.db2.gz MQTDPXJAJBMWNW-AEFFLSMTSA-N 1 3 302.462 3.514 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000044535399 1032055688 /nfs/dbraw/zinc/05/56/88/1032055688.db2.gz SHKPJZTVMIERQH-STQMWFEESA-N 1 3 300.368 3.698 20 0 DHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1C(F)(F)F ZINC000044535399 1032055693 /nfs/dbraw/zinc/05/56/93/1032055693.db2.gz SHKPJZTVMIERQH-STQMWFEESA-N 1 3 300.368 3.698 20 0 DHADHO CC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000643522064 1033337440 /nfs/dbraw/zinc/33/74/40/1033337440.db2.gz HFVYYLNRDVJERC-HIFRSBDPSA-N 1 3 316.367 3.768 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCS[C@H](C)C3)CC2)C1 ZINC000927028922 1033338713 /nfs/dbraw/zinc/33/87/13/1033338713.db2.gz BSPZCYGUADQKCB-LMSBXDPUSA-N 1 3 310.551 3.903 20 0 DHADHO COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477943552 1033379236 /nfs/dbraw/zinc/37/92/36/1033379236.db2.gz VGLGPUCENHDMDR-QGZVFWFLSA-N 1 3 318.505 3.728 20 0 DHADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001172852938 1033420386 /nfs/dbraw/zinc/42/03/86/1033420386.db2.gz WHLMHCLKLGRYEX-MCIONIFRSA-N 1 3 312.860 3.873 20 0 DHADHO Cc1csc2sc(CN3CC[C@H]([NH3+])[C@@H](F)CC3)c(C)c12 ZINC001206185008 1033484723 /nfs/dbraw/zinc/48/47/23/1033484723.db2.gz KKWCLVDCJAQGAE-RYUDHWBXSA-N 1 3 312.479 3.841 20 0 DHADHO CN(CCCOc1ccc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000478547602 1033506278 /nfs/dbraw/zinc/50/62/78/1033506278.db2.gz HVLDOHKTTWEWGD-IBGZPJMESA-N 1 3 312.457 3.683 20 0 DHADHO CN(CCCOc1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000478535329 1033509977 /nfs/dbraw/zinc/50/99/77/1033509977.db2.gz GTWOFUCLKDGHLX-SFHVURJKSA-N 1 3 312.457 3.683 20 0 DHADHO CC[NH+](CC)C1CCC(NCc2nc3ccccc3o2)CC1 ZINC001173105175 1033543510 /nfs/dbraw/zinc/54/35/10/1033543510.db2.gz GOGPNZZEOOGPRR-UHFFFAOYSA-N 1 3 301.434 3.570 20 0 DHADHO CC[NH+](CC)C1CCC(NCc2ncc(Cl)s2)CC1 ZINC001173107617 1033545721 /nfs/dbraw/zinc/54/57/21/1033545721.db2.gz ZJUQRMQYLQHELY-UHFFFAOYSA-N 1 3 301.887 3.539 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CC[C@H](c3ccccc3)O2)[C@H](C)C1 ZINC000878258899 1033637948 /nfs/dbraw/zinc/63/79/48/1033637948.db2.gz WYBMLRBTBJIBIX-BTHPGYMESA-N 1 3 316.489 3.569 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CC[C@H](c3ccccc3)O2)[C@H](C)C1 ZINC000878258899 1033637958 /nfs/dbraw/zinc/63/79/58/1033637958.db2.gz WYBMLRBTBJIBIX-BTHPGYMESA-N 1 3 316.489 3.569 20 0 DHADHO CC[N@H+](Cc1ccnn1-c1ccncc1)[C@@H](C)c1ccc(F)cc1 ZINC000667534081 1033857085 /nfs/dbraw/zinc/85/70/85/1033857085.db2.gz MFKWBZJJAIAFHV-HNNXBMFYSA-N 1 3 324.403 3.990 20 0 DHADHO CC[N@@H+](Cc1ccnn1-c1ccncc1)[C@@H](C)c1ccc(F)cc1 ZINC000667534081 1033857104 /nfs/dbraw/zinc/85/71/04/1033857104.db2.gz MFKWBZJJAIAFHV-HNNXBMFYSA-N 1 3 324.403 3.990 20 0 DHADHO C[C@@H](c1nc2ccccc2o1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879250232 1033964290 /nfs/dbraw/zinc/96/42/90/1033964290.db2.gz QBWWZGZOSPKTIF-HNNXBMFYSA-N 1 3 313.445 3.697 20 0 DHADHO c1ccc2c(c1)NCCC[C@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000192931936 1034823253 /nfs/dbraw/zinc/82/32/53/1034823253.db2.gz GGGNEVNUDJASSJ-HXUWFJFHSA-N 1 3 313.489 3.930 20 0 DHADHO c1ccc2c(c1)NCCC[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000192931947 1034824708 /nfs/dbraw/zinc/82/47/08/1034824708.db2.gz GGGNEVNUDJASSJ-FQEVSTJZSA-N 1 3 313.489 3.930 20 0 DHADHO CC[N@@H+]1CC[C@H](NC2CC(F)(c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000482059490 1035052075 /nfs/dbraw/zinc/05/20/75/1035052075.db2.gz GHWNPSWFRLOCDH-LZEOREFUSA-N 1 3 324.871 3.987 20 0 DHADHO CC[N@H+]1CC[C@H](NC2CC(F)(c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000482059490 1035052078 /nfs/dbraw/zinc/05/20/78/1035052078.db2.gz GHWNPSWFRLOCDH-LZEOREFUSA-N 1 3 324.871 3.987 20 0 DHADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000668172887 1035205454 /nfs/dbraw/zinc/20/54/54/1035205454.db2.gz VWBZBVHBSINZHV-QFBILLFUSA-N 1 3 304.478 3.556 20 0 DHADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000668172887 1035205453 /nfs/dbraw/zinc/20/54/53/1035205453.db2.gz VWBZBVHBSINZHV-QFBILLFUSA-N 1 3 304.478 3.556 20 0 DHADHO C[C@@H](NCc1ccc(F)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000924784705 1035252271 /nfs/dbraw/zinc/25/22/71/1035252271.db2.gz YQMDEFUJYNNZTI-CYBMUJFWSA-N 1 3 304.384 3.877 20 0 DHADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484354982 1035332531 /nfs/dbraw/zinc/33/25/31/1035332531.db2.gz RTHFRAUKUIGEKI-KBPBESRZSA-N 1 3 306.416 3.771 20 0 DHADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484354982 1035332534 /nfs/dbraw/zinc/33/25/34/1035332534.db2.gz RTHFRAUKUIGEKI-KBPBESRZSA-N 1 3 306.416 3.771 20 0 DHADHO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000484468691 1035337524 /nfs/dbraw/zinc/33/75/24/1035337524.db2.gz CIFDEWMDZZECSS-RYQLBKOJSA-N 1 3 304.478 3.999 20 0 DHADHO CCCN1CCN(c2ccccc2C[NH2+]CCCC(C)C)CC1 ZINC001177186718 1035357001 /nfs/dbraw/zinc/35/70/01/1035357001.db2.gz XCOXYUVHOXTYEZ-UHFFFAOYSA-N 1 3 317.521 3.744 20 0 DHADHO Cc1c(Cl)cccc1CNCc1cccc(C[NH+](C)C)c1 ZINC001177231363 1035358090 /nfs/dbraw/zinc/35/80/90/1035358090.db2.gz NIQVZGQRYOGSKV-UHFFFAOYSA-N 1 3 302.849 4.000 20 0 DHADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001206302876 1035367806 /nfs/dbraw/zinc/36/78/06/1035367806.db2.gz ACLVMZWKORLGTP-HNNXBMFYSA-N 1 3 318.358 3.795 20 0 DHADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)CN1CCCCC1 ZINC001177416590 1035369815 /nfs/dbraw/zinc/36/98/15/1035369815.db2.gz TUZCKWHBWPCIPU-RLLQIKCJSA-N 1 3 322.537 3.683 20 0 DHADHO CCO[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC001177581214 1035381876 /nfs/dbraw/zinc/38/18/76/1035381876.db2.gz KLJVLMPCLIAVAV-UXHICEINSA-N 1 3 322.537 3.968 20 0 DHADHO CC[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC001177736910 1035389873 /nfs/dbraw/zinc/38/98/73/1035389873.db2.gz FUYBTMPCSUHQEA-MRXNPFEDSA-N 1 3 324.468 3.752 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC001177736910 1035389875 /nfs/dbraw/zinc/38/98/75/1035389875.db2.gz FUYBTMPCSUHQEA-MRXNPFEDSA-N 1 3 324.468 3.752 20 0 DHADHO C[NH+](C)CC[C@H](NCc1cnc(-c2ccccc2)[nH]1)C(C)(C)C ZINC001177823265 1035391809 /nfs/dbraw/zinc/39/18/09/1035391809.db2.gz SMYJUWKFYQYJEP-KRWDZBQOSA-N 1 3 314.477 3.533 20 0 DHADHO CN(C)CC[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(C)(C)C ZINC001177822135 1035392347 /nfs/dbraw/zinc/39/23/47/1035392347.db2.gz HRPFDYQBTYUHOX-HNNXBMFYSA-N 1 3 300.849 3.935 20 0 DHADHO CC[NH2+]CC1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904301528 1035396996 /nfs/dbraw/zinc/39/69/96/1035396996.db2.gz NBKBHAXTUGHVHJ-UHFFFAOYSA-N 1 3 300.368 3.585 20 0 DHADHO Cc1cccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000904477017 1035418569 /nfs/dbraw/zinc/41/85/69/1035418569.db2.gz WJZXUYCZDONUKN-CTNGQTDRSA-N 1 3 322.452 3.649 20 0 DHADHO C[C@]1(CN2CC[C@@H](C[NH+]3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC001179878400 1035530144 /nfs/dbraw/zinc/53/01/44/1035530144.db2.gz PNPTUWNXANKSEF-CEWLAPEOSA-N 1 3 312.501 3.988 20 0 DHADHO C[C@]1(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC001179878400 1035530159 /nfs/dbraw/zinc/53/01/59/1035530159.db2.gz PNPTUWNXANKSEF-CEWLAPEOSA-N 1 3 312.501 3.988 20 0 DHADHO C[C@]1(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC001179878400 1035530164 /nfs/dbraw/zinc/53/01/64/1035530164.db2.gz PNPTUWNXANKSEF-CEWLAPEOSA-N 1 3 312.501 3.988 20 0 DHADHO CO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000494517268 1035602429 /nfs/dbraw/zinc/60/24/29/1035602429.db2.gz ZAFQZUZFOUXDIV-NXWXRZEISA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@@H]1CCCC[C@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000494517268 1035602438 /nfs/dbraw/zinc/60/24/38/1035602438.db2.gz ZAFQZUZFOUXDIV-NXWXRZEISA-N 1 3 308.510 3.577 20 0 DHADHO CO[C@@H]1CCCC[C@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000494489719 1035603663 /nfs/dbraw/zinc/60/36/63/1035603663.db2.gz DWZHABNFNLEAPG-NXWXRZEISA-N 1 3 308.510 3.577 20 0 DHADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000190811253 1035636911 /nfs/dbraw/zinc/63/69/11/1035636911.db2.gz KTIRHBZDGBSSFL-UHFFFAOYSA-N 1 3 314.395 3.976 20 0 DHADHO Clc1ccc([C@@H]2OCC[C@H]2[NH2+]CCCN2CCCCC2)cc1 ZINC000192023082 1035748244 /nfs/dbraw/zinc/74/82/44/1035748244.db2.gz BGYHLFBKFPCPHK-MSOLQXFVSA-N 1 3 322.880 3.636 20 0 DHADHO C[C@@H](CC[NH2+]C1CC(C)(c2ccccc2)C1)N1CCCCC1 ZINC001180812428 1035767039 /nfs/dbraw/zinc/76/70/39/1035767039.db2.gz ZJHABBSRBVMLMZ-KKXNLOMOSA-N 1 3 300.490 3.961 20 0 DHADHO C[N@@H+]1CCC[C@H]2CN(Cc3cc4ccccc4s3)CC[C@H]21 ZINC000539898629 1035925648 /nfs/dbraw/zinc/92/56/48/1035925648.db2.gz YWJLCANYSMKUCT-DOTOQJQBSA-N 1 3 300.471 3.817 20 0 DHADHO C[N@H+]1CCC[C@H]2CN(Cc3cc4ccccc4s3)CC[C@H]21 ZINC000539898629 1035925661 /nfs/dbraw/zinc/92/56/61/1035925661.db2.gz YWJLCANYSMKUCT-DOTOQJQBSA-N 1 3 300.471 3.817 20 0 DHADHO CCc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000540171296 1035992930 /nfs/dbraw/zinc/99/29/30/1035992930.db2.gz QHUCHUSHNSMBOB-XHSDSOJGSA-N 1 3 324.534 3.851 20 0 DHADHO Cc1c(CN2CCC(CC[NH3+])CC2)cccc1C(F)(F)F ZINC001206500949 1036242387 /nfs/dbraw/zinc/24/23/87/1036242387.db2.gz WPZINNIGXCCLBS-UHFFFAOYSA-N 1 3 300.368 3.575 20 0 DHADHO CCN(CC)CCC[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000491309398 1036253402 /nfs/dbraw/zinc/25/34/02/1036253402.db2.gz WSMPSWRSNIAHBR-INIZCTEOSA-N 1 3 313.489 3.655 20 0 DHADHO Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)o1 ZINC000541882368 1036450602 /nfs/dbraw/zinc/45/06/02/1036450602.db2.gz GVXRYHGVIDSZQM-CEWLAPEOSA-N 1 3 324.468 3.631 20 0 DHADHO CCCC[N@H+](C[C@H]1CCCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196545459 1036565615 /nfs/dbraw/zinc/56/56/15/1036565615.db2.gz PMNKJOVLQFZWGF-MRXNPFEDSA-N 1 3 310.526 3.824 20 0 DHADHO CCCC[N@@H+](C[C@H]1CCCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196545459 1036565626 /nfs/dbraw/zinc/56/56/26/1036565626.db2.gz PMNKJOVLQFZWGF-MRXNPFEDSA-N 1 3 310.526 3.824 20 0 DHADHO CCCC[N@H+](C[C@H]1CCCC[C@H]1O)C1CC(C)(C)NC(C)(C)C1 ZINC001196546501 1036566392 /nfs/dbraw/zinc/56/63/92/1036566392.db2.gz ZOOCMQBDSRJNBL-SJLPKXTDSA-N 1 3 324.553 3.949 20 0 DHADHO CCCC[N@@H+](C[C@H]1CCCC[C@H]1O)C1CC(C)(C)NC(C)(C)C1 ZINC001196546501 1036566403 /nfs/dbraw/zinc/56/64/03/1036566403.db2.gz ZOOCMQBDSRJNBL-SJLPKXTDSA-N 1 3 324.553 3.949 20 0 DHADHO Cc1cc(OC(F)(F)F)ccc1CN1CCC[C@](C)([NH3+])CC1 ZINC001205274368 1036623914 /nfs/dbraw/zinc/62/39/14/1036623914.db2.gz WDDNYBTXSOWQBX-HNNXBMFYSA-N 1 3 316.367 3.597 20 0 DHADHO CC1(N2CCC2)CC[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC001197266753 1036723410 /nfs/dbraw/zinc/72/34/10/1036723410.db2.gz YSSGTGRLQXDFBZ-IRXDYDNUSA-N 1 3 320.427 3.596 20 0 DHADHO CCC1(N2CCC2)CC[NH+](C[C@@H](OC)C2CCCCC2)CC1 ZINC001197891883 1036896201 /nfs/dbraw/zinc/89/62/01/1036896201.db2.gz RBOUQEILJOZHSG-GOSISDBHSA-N 1 3 308.510 3.532 20 0 DHADHO Cc1csc2sc(CN3CC[C@@H](C)[C@H](C[NH3+])C3)c(C)c12 ZINC001205303435 1036899029 /nfs/dbraw/zinc/89/90/29/1036899029.db2.gz FOHHCYRPGZLPRX-ZWNOBZJWSA-N 1 3 308.516 3.996 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000237674442 1037023188 /nfs/dbraw/zinc/02/31/88/1037023188.db2.gz VHRLFDSMKIPZLM-KLAILNCOSA-N 1 3 304.453 3.926 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCCNC1CC(c2ccccc2F)C1 ZINC000237674442 1037023204 /nfs/dbraw/zinc/02/32/04/1037023204.db2.gz VHRLFDSMKIPZLM-KLAILNCOSA-N 1 3 304.453 3.926 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCCNC1CC(c2ccccc2F)C1 ZINC000237674442 1037023222 /nfs/dbraw/zinc/02/32/22/1037023222.db2.gz VHRLFDSMKIPZLM-KLAILNCOSA-N 1 3 304.453 3.926 20 0 DHADHO Cc1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c(C)c1 ZINC000488570292 1037078420 /nfs/dbraw/zinc/07/84/20/1037078420.db2.gz PRXPNGJCDSQAHT-OAQYLSRUSA-N 1 3 322.496 3.958 20 0 DHADHO C[C@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309685308 1037173472 /nfs/dbraw/zinc/17/34/72/1037173472.db2.gz APAORFZGVGTQOM-LPHOPBHVSA-N 1 3 312.432 3.826 20 0 DHADHO Cc1cccc2c(CC[NH2+]C3CCN(C(C)(C)C)CC3)c[nH]c21 ZINC000178779807 1037344551 /nfs/dbraw/zinc/34/45/51/1037344551.db2.gz GIDZTNZIPZNJIC-UHFFFAOYSA-N 1 3 313.489 3.871 20 0 DHADHO CC[C@H](NC1CC[NH+](CC)CC1)c1ccc2c(c1)CCCO2 ZINC000152626577 1037474873 /nfs/dbraw/zinc/47/48/73/1037474873.db2.gz VRFOHWRVXGGJHW-SFHVURJKSA-N 1 3 302.462 3.537 20 0 DHADHO Cc1nc2ccc(C[NH2+][C@H]3CCC[C@H](N(C)C)C3)cc2s1 ZINC000494078735 1037640576 /nfs/dbraw/zinc/64/05/76/1037640576.db2.gz LPBVKZSCQCLFSV-GJZGRUSLSA-N 1 3 303.475 3.567 20 0 DHADHO CC(C)(C)N1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000490506494 1037724340 /nfs/dbraw/zinc/72/43/40/1037724340.db2.gz CFUIFTFVSARXSR-UHFFFAOYSA-N 1 3 300.490 3.918 20 0 DHADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCc3ccc(OC)cc32)c1 ZINC000123920324 1037872156 /nfs/dbraw/zinc/87/21/56/1037872156.db2.gz VGFBZPBXBAYYIU-OAQYLSRUSA-N 1 3 324.468 3.924 20 0 DHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3ccc(OC)cc32)c1 ZINC000123920324 1037872170 /nfs/dbraw/zinc/87/21/70/1037872170.db2.gz VGFBZPBXBAYYIU-OAQYLSRUSA-N 1 3 324.468 3.924 20 0 DHADHO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000186833713 1037934524 /nfs/dbraw/zinc/93/45/24/1037934524.db2.gz DEGYQYOTYUGWBY-UXHICEINSA-N 1 3 322.537 3.967 20 0 DHADHO CC(C)C[C@@H]1OCCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000186833713 1037934528 /nfs/dbraw/zinc/93/45/28/1037934528.db2.gz DEGYQYOTYUGWBY-UXHICEINSA-N 1 3 322.537 3.967 20 0 DHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000126466417 1038067781 /nfs/dbraw/zinc/06/77/81/1038067781.db2.gz KSBIEBDGDHVBCN-RDTXWAMCSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000126466417 1038067800 /nfs/dbraw/zinc/06/78/00/1038067800.db2.gz KSBIEBDGDHVBCN-RDTXWAMCSA-N 1 3 306.881 3.661 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000126466417 1038067823 /nfs/dbraw/zinc/06/78/23/1038067823.db2.gz KSBIEBDGDHVBCN-RDTXWAMCSA-N 1 3 306.881 3.661 20 0 DHADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1CN1CCCCC1 ZINC000775383731 1038310686 /nfs/dbraw/zinc/31/06/86/1038310686.db2.gz PGZPQEAWIPFLRD-BQFCYCMXSA-N 1 3 316.489 3.988 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000534059571 1040698646 /nfs/dbraw/zinc/69/86/46/1040698646.db2.gz OYQBJJGMCVNCHP-ZBEGNZNMSA-N 1 3 313.272 3.912 20 0 DHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000093978083 193334444 /nfs/dbraw/zinc/33/44/44/193334444.db2.gz OISYIJKCSDNSGI-HUBLWGQQSA-N 1 3 311.267 3.582 20 0 DHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000093978083 193334446 /nfs/dbraw/zinc/33/44/46/193334446.db2.gz OISYIJKCSDNSGI-HUBLWGQQSA-N 1 3 311.267 3.582 20 0 DHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000093978081 193334010 /nfs/dbraw/zinc/33/40/10/193334010.db2.gz OISYIJKCSDNSGI-SLEUVZQESA-N 1 3 311.267 3.582 20 0 DHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000093978081 193334012 /nfs/dbraw/zinc/33/40/12/193334012.db2.gz OISYIJKCSDNSGI-SLEUVZQESA-N 1 3 311.267 3.582 20 0 DHADHO C[NH+](C)CCCCNCc1ccc(Br)cc1Cl ZINC000135166152 335024967 /nfs/dbraw/zinc/02/49/67/335024967.db2.gz GHQYFDYNCOXXOT-UHFFFAOYSA-N 1 3 319.674 3.534 20 0 DHADHO C[C@H](c1ccc(C[N@@H+]2CC[C@H](CN(C)C)C2)cc1)C(F)(F)F ZINC000297523467 132020267 /nfs/dbraw/zinc/02/02/67/132020267.db2.gz OQYCDCKCOPJNKA-UKRRQHHQSA-N 1 3 314.395 3.736 20 0 DHADHO C[C@H](c1ccc(C[N@H+]2CC[C@H](CN(C)C)C2)cc1)C(F)(F)F ZINC000297523467 132020268 /nfs/dbraw/zinc/02/02/68/132020268.db2.gz OQYCDCKCOPJNKA-UKRRQHHQSA-N 1 3 314.395 3.736 20 0 DHADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H](C)c1ccccc1 ZINC000297592144 132024449 /nfs/dbraw/zinc/02/44/49/132024449.db2.gz JGYZOUUOHSUWGD-DLBZAZTESA-N 1 3 309.457 3.832 20 0 DHADHO c1cc2c(s1)CCC[C@@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297761906 132032653 /nfs/dbraw/zinc/03/26/53/132032653.db2.gz UYKKEJCLPOSPSD-KRWDZBQOSA-N 1 3 313.470 3.779 20 0 DHADHO CCC[NH+]1CCC(NC[C@@H](c2ccccc2)N(CC)CC)CC1 ZINC000121757784 132158746 /nfs/dbraw/zinc/15/87/46/132158746.db2.gz RBEUEEOLPAUXKI-FQEVSTJZSA-N 1 3 317.521 3.534 20 0 DHADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)C(c1ccccc1)c1ccccc1 ZINC000391742481 335087514 /nfs/dbraw/zinc/08/75/14/335087514.db2.gz SJVDPAWZJVZIJH-ZWKOTPCHSA-N 1 3 310.485 3.994 20 0 DHADHO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000556611572 331720232 /nfs/dbraw/zinc/72/02/32/331720232.db2.gz PYDBWXALYOHANR-XLIONFOSSA-N 1 3 316.489 3.828 20 0 DHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000556872998 331745945 /nfs/dbraw/zinc/74/59/45/331745945.db2.gz SXAFTJJHCRIBJL-XOKHGSTOSA-N 1 3 310.432 3.748 20 0 DHADHO CC(C)[C@@H]([NH3+])CCN(C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000128454743 332012530 /nfs/dbraw/zinc/01/25/30/332012530.db2.gz LJHRXNLAPAGOKO-WFASDCNBSA-N 1 3 300.393 3.654 20 0 DHADHO COc1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC000092253938 332123045 /nfs/dbraw/zinc/12/30/45/332123045.db2.gz PSJPHDDLSVGUEJ-MRXNPFEDSA-N 1 3 312.457 3.622 20 0 DHADHO COc1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c2ccccc12 ZINC000092253938 332123049 /nfs/dbraw/zinc/12/30/49/332123049.db2.gz PSJPHDDLSVGUEJ-MRXNPFEDSA-N 1 3 312.457 3.622 20 0 DHADHO C[N@@H+]1CC[C@@H](NCCOCc2ccccc2)C[C@H]1c1ccccc1 ZINC000559773473 332280444 /nfs/dbraw/zinc/28/04/44/332280444.db2.gz FBTCPXHESXLJKH-RTWAWAEBSA-N 1 3 324.468 3.628 20 0 DHADHO C[N@H+]1CC[C@@H](NCCOCc2ccccc2)C[C@H]1c1ccccc1 ZINC000559773473 332280445 /nfs/dbraw/zinc/28/04/45/332280445.db2.gz FBTCPXHESXLJKH-RTWAWAEBSA-N 1 3 324.468 3.628 20 0 DHADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000560021360 332302652 /nfs/dbraw/zinc/30/26/52/332302652.db2.gz FTAAZCWWNILVKZ-KGLIPLIRSA-N 1 3 312.860 3.874 20 0 DHADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccs1 ZINC000049529321 332315178 /nfs/dbraw/zinc/31/51/78/332315178.db2.gz XQLFQBNAHUFEBD-MRXNPFEDSA-N 1 3 301.459 3.853 20 0 DHADHO C[NH+](C)C1CCC(NCc2ccc(Cl)cc2Cl)CC1 ZINC000560514430 332348639 /nfs/dbraw/zinc/34/86/39/332348639.db2.gz LXTZLPMFLHUZKG-UHFFFAOYSA-N 1 3 301.261 3.956 20 0 DHADHO C[N@@H+]1CC[C@H](NCc2cccc(-c3ccccn3)c2)[C@@H]2CCC[C@H]21 ZINC000560542734 332355646 /nfs/dbraw/zinc/35/56/46/332355646.db2.gz GEPUMOKWPLLYJU-SESVDKBCSA-N 1 3 321.468 3.711 20 0 DHADHO C[N@H+]1CC[C@H](NCc2cccc(-c3ccccn3)c2)[C@@H]2CCC[C@H]21 ZINC000560542734 332355647 /nfs/dbraw/zinc/35/56/47/332355647.db2.gz GEPUMOKWPLLYJU-SESVDKBCSA-N 1 3 321.468 3.711 20 0 DHADHO [NH3+][C@H]1CCC[C@@H](NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000566480972 332445824 /nfs/dbraw/zinc/44/58/24/332445824.db2.gz CWZQYSDZQGKIQK-LSDHHAIUSA-N 1 3 312.379 3.944 20 0 DHADHO CC[C@@H](c1ccc(F)cc1F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570162258 332719574 /nfs/dbraw/zinc/71/95/74/332719574.db2.gz GQYRDQOUFLYYEM-KSSFIOAISA-N 1 3 308.416 3.737 20 0 DHADHO CC[C@H](c1ccc(F)cc1F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000570162259 332719627 /nfs/dbraw/zinc/71/96/27/332719627.db2.gz GQYRDQOUFLYYEM-RDTXWAMCSA-N 1 3 308.416 3.737 20 0 DHADHO Cc1c(Cl)c(CN2CCC([C@H](C)[NH3+])CC2)nc2ccccc12 ZINC000261921973 333052159 /nfs/dbraw/zinc/05/21/59/333052159.db2.gz HYXMFBWAEIETCW-ZDUSSCGKSA-N 1 3 317.864 3.756 20 0 DHADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccnc1 ZINC000112546549 333093782 /nfs/dbraw/zinc/09/37/82/333093782.db2.gz FFKMSHBGOZOKCJ-BRIRTLKKSA-N 1 3 321.468 3.928 20 0 DHADHO FC(F)(F)c1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000019996778 333295729 /nfs/dbraw/zinc/29/57/29/333295729.db2.gz HXZFTPQEHKXYJQ-UHFFFAOYSA-N 1 3 300.368 3.671 20 0 DHADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000390680916 333314721 /nfs/dbraw/zinc/31/47/21/333314721.db2.gz VUANSVAQLQWXDL-QKPAOTATSA-N 1 3 300.437 3.712 20 0 DHADHO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000390680916 333314722 /nfs/dbraw/zinc/31/47/22/333314722.db2.gz VUANSVAQLQWXDL-QKPAOTATSA-N 1 3 300.437 3.712 20 0 DHADHO CC[N@@H+]1CC[C@H](N(C)CCCOc2cccc(Cl)c2)C[C@H]1C ZINC000531378377 333347496 /nfs/dbraw/zinc/34/74/96/333347496.db2.gz FBZXAOJFBLABCB-WBVHZDCISA-N 1 3 324.896 3.914 20 0 DHADHO CC[N@H+]1CC[C@H](N(C)CCCOc2cccc(Cl)c2)C[C@H]1C ZINC000531378377 333347497 /nfs/dbraw/zinc/34/74/97/333347497.db2.gz FBZXAOJFBLABCB-WBVHZDCISA-N 1 3 324.896 3.914 20 0 DHADHO C[NH+]1CCC([C@H]2CCN(C/C=C/c3ccc(F)cc3F)C2)CC1 ZINC000583467929 333359999 /nfs/dbraw/zinc/35/99/99/333359999.db2.gz ZSDRRRBJKVVHLC-YATRRXNKSA-N 1 3 320.427 3.642 20 0 DHADHO Brc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1)CC2 ZINC000311727454 333388298 /nfs/dbraw/zinc/38/82/98/333388298.db2.gz NRDKSOACJMZHOL-MRXNPFEDSA-N 1 3 323.278 3.512 20 0 DHADHO CC(C)CCOCCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390788156 333393504 /nfs/dbraw/zinc/39/35/04/333393504.db2.gz DAUMYUGQWGKIEA-AZUAARDMSA-N 1 3 318.505 3.549 20 0 DHADHO CC(C)CCOCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390788156 333393506 /nfs/dbraw/zinc/39/35/06/333393506.db2.gz DAUMYUGQWGKIEA-AZUAARDMSA-N 1 3 318.505 3.549 20 0 DHADHO CCCC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccc1 ZINC000531686972 333542721 /nfs/dbraw/zinc/54/27/21/333542721.db2.gz VQMUZTAPNHVNKK-FQEVSTJZSA-N 1 3 317.521 3.535 20 0 DHADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(COCc3ccccc3)cc2)C1 ZINC000571537583 333815087 /nfs/dbraw/zinc/81/50/87/333815087.db2.gz KTCJNSGZQSWHPO-SFTDATJTSA-N 1 3 324.468 3.763 20 0 DHADHO COCCC1(C[NH2+]C[C@@H](C)CN2CCCCC2)CCCCC1 ZINC000436286422 333918683 /nfs/dbraw/zinc/91/86/83/333918683.db2.gz HIWQTRUNNWXPRQ-GOSISDBHSA-N 1 3 310.526 3.685 20 0 DHADHO COc1ccc(-c2ccccc2)cc1CN1CCC(C[NH3+])CC1 ZINC000414648766 334054503 /nfs/dbraw/zinc/05/45/03/334054503.db2.gz BKENEZFNGICVJI-UHFFFAOYSA-N 1 3 310.441 3.533 20 0 DHADHO [NH3+]C1CCN(CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000414654358 334055171 /nfs/dbraw/zinc/05/51/71/334055171.db2.gz IYETVUFXZVSMBM-UHFFFAOYSA-N 1 3 308.469 3.511 20 0 DHADHO NC1CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000414654358 334055172 /nfs/dbraw/zinc/05/51/72/334055172.db2.gz IYETVUFXZVSMBM-UHFFFAOYSA-N 1 3 308.469 3.511 20 0 DHADHO FC(F)(F)c1ccccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772926 334090410 /nfs/dbraw/zinc/09/04/10/334090410.db2.gz CTDWBVHLHLZEEN-KBPBESRZSA-N 1 3 312.379 3.527 20 0 DHADHO FC(F)(F)c1ccc([C@H]2CCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000414783792 334094317 /nfs/dbraw/zinc/09/43/17/334094317.db2.gz REPJLCKRFJAEJB-HZPDHXFCSA-N 1 3 312.379 3.683 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000343507510 335172510 /nfs/dbraw/zinc/17/25/10/335172510.db2.gz YASTWXWIIZKBME-YDZRNGNQSA-N 1 3 313.489 3.633 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000343507510 335172511 /nfs/dbraw/zinc/17/25/11/335172511.db2.gz YASTWXWIIZKBME-YDZRNGNQSA-N 1 3 313.489 3.633 20 0 DHADHO Cc1cccnc1[C@@H]1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000343507510 335172512 /nfs/dbraw/zinc/17/25/12/335172512.db2.gz YASTWXWIIZKBME-YDZRNGNQSA-N 1 3 313.489 3.633 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414793544 334098723 /nfs/dbraw/zinc/09/87/23/334098723.db2.gz DRMRMSGAYJMVLI-XPKDYRNWSA-N 1 3 314.395 3.744 20 0 DHADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(OCC(F)F)cc2)cc1 ZINC000414803559 334102388 /nfs/dbraw/zinc/10/23/88/334102388.db2.gz DBPATBJUIBQGKE-CYBMUJFWSA-N 1 3 320.383 3.640 20 0 DHADHO Cc1nn(C(C)(C)C)c(C)c1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000414812139 334106040 /nfs/dbraw/zinc/10/60/40/334106040.db2.gz QXKRBTOEDULLIW-ZDUSSCGKSA-N 1 3 314.477 3.564 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414817191 334106907 /nfs/dbraw/zinc/10/69/07/334106907.db2.gz AEUJEAWLLQVTKZ-IPYPFGDCSA-N 1 3 314.395 3.614 20 0 DHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414817191 334106908 /nfs/dbraw/zinc/10/69/08/334106908.db2.gz AEUJEAWLLQVTKZ-IPYPFGDCSA-N 1 3 314.395 3.614 20 0 DHADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCNC1 ZINC000414854510 334127918 /nfs/dbraw/zinc/12/79/18/334127918.db2.gz LYFKHLLQNVYQLA-DZGCQCFKSA-N 1 3 314.395 3.616 20 0 DHADHO [NH3+]C1(CNCC(c2ccc(F)cc2)c2ccc(F)cc2)CCC1 ZINC000414884090 334153496 /nfs/dbraw/zinc/15/34/96/334153496.db2.gz VMFXGBZOFMTTSA-UHFFFAOYSA-N 1 3 316.395 3.568 20 0 DHADHO N[C@@H](C[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000414889361 334157091 /nfs/dbraw/zinc/15/70/91/334157091.db2.gz LMZFTOOPBVHURL-XBGMYJNYSA-N 1 3 322.452 3.606 20 0 DHADHO C[C@@H](CC1CCOCC1)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414931951 334195186 /nfs/dbraw/zinc/19/51/86/334195186.db2.gz CDBBDIRECLBYAI-YWZLYKJASA-N 1 3 312.457 3.634 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCNC[C@H]1C ZINC000414941260 334202433 /nfs/dbraw/zinc/20/24/33/334202433.db2.gz LHTJSQADSRLIFU-HFAKWTLXSA-N 1 3 301.261 3.512 20 0 DHADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414941260 334202434 /nfs/dbraw/zinc/20/24/34/334202434.db2.gz LHTJSQADSRLIFU-HFAKWTLXSA-N 1 3 301.261 3.512 20 0 DHADHO C[C@@H]1C[C@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)CCN1 ZINC000414945961 334205137 /nfs/dbraw/zinc/20/51/37/334205137.db2.gz IZOMPWCNSROLKL-XMSQKQJNSA-N 1 3 322.496 3.818 20 0 DHADHO CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000414949451 334206409 /nfs/dbraw/zinc/20/64/09/334206409.db2.gz NLEHGEQNKNNAQI-RARDXLECSA-N 1 3 316.489 3.840 20 0 DHADHO C[C@@H]1C[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)CCN1 ZINC000414951329 334207462 /nfs/dbraw/zinc/20/74/62/334207462.db2.gz PSEVIKLEKHMVCM-VXGBXAGGSA-N 1 3 301.261 3.656 20 0 DHADHO C[C@@H]1C[C@H](NCCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414951329 334207464 /nfs/dbraw/zinc/20/74/64/334207464.db2.gz PSEVIKLEKHMVCM-VXGBXAGGSA-N 1 3 301.261 3.656 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414956035 334208463 /nfs/dbraw/zinc/20/84/63/334208463.db2.gz MULWXRNCJSDJLB-WBMJQRKESA-N 1 3 304.434 3.642 20 0 DHADHO C[C@H]1C[C@@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)CCN1 ZINC000414961281 334212765 /nfs/dbraw/zinc/21/27/65/334212765.db2.gz YSETWARPLBBATL-PXNSSMCTSA-N 1 3 308.469 3.571 20 0 DHADHO CC1(C)CNCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414962403 334212979 /nfs/dbraw/zinc/21/29/79/334212979.db2.gz CKZHHPHFROSOLV-QGZVFWFLSA-N 1 3 300.471 3.893 20 0 DHADHO [NH3+]CCC[C@H](NCc1cccc(OC(F)F)c1)c1ccccc1 ZINC000415050581 334258956 /nfs/dbraw/zinc/25/89/56/334258956.db2.gz IPAKIFJQWSVFQW-KRWDZBQOSA-N 1 3 320.383 3.858 20 0 DHADHO C[C@H](CCC[NH3+])NCc1cc(Cl)ccc1OC1CCCC1 ZINC000415027725 334259822 /nfs/dbraw/zinc/25/98/22/334259822.db2.gz XHUOLVXVTSKOFJ-CYBMUJFWSA-N 1 3 310.869 3.878 20 0 DHADHO Cc1cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2cccnc12 ZINC000415058698 334262027 /nfs/dbraw/zinc/26/20/27/334262027.db2.gz WAQSABXFNQTXTA-RBUKOAKNSA-N 1 3 309.457 3.507 20 0 DHADHO c1ccc(OCCCCCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415060113 334262145 /nfs/dbraw/zinc/26/21/45/334262145.db2.gz XXNWDHGBQROBAT-UYAOXDASSA-N 1 3 316.489 3.700 20 0 DHADHO C[C@H](C[NH2+]CCCNC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000415067287 334262664 /nfs/dbraw/zinc/26/26/64/334262664.db2.gz KNDWCLUGWZWQTM-GFCCVEGCSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@H](CNCCC[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000415067287 334262665 /nfs/dbraw/zinc/26/26/65/334262665.db2.gz KNDWCLUGWZWQTM-GFCCVEGCSA-N 1 3 300.368 3.541 20 0 DHADHO CC(C)C[C@H]([NH3+])CN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000415073745 334267416 /nfs/dbraw/zinc/26/74/16/334267416.db2.gz BKRFTHJEEMQVJZ-WFASDCNBSA-N 1 3 302.384 3.599 20 0 DHADHO C[C@@H](CC[NH2+]C1CCNCC1)c1cccc(C(F)(F)F)c1 ZINC000415076863 334268281 /nfs/dbraw/zinc/26/82/81/334268281.db2.gz BODWSDMSCLNBCO-LBPRGKRZSA-N 1 3 300.368 3.541 20 0 DHADHO C[C@@H](CCNC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415076863 334268283 /nfs/dbraw/zinc/26/82/83/334268283.db2.gz BODWSDMSCLNBCO-LBPRGKRZSA-N 1 3 300.368 3.541 20 0 DHADHO CC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1C ZINC000415077287 334268545 /nfs/dbraw/zinc/26/85/45/334268545.db2.gz HGTODWHNKIAKEL-FCGDIQPGSA-N 1 3 316.489 3.663 20 0 DHADHO C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000187729110 334270000 /nfs/dbraw/zinc/27/00/00/334270000.db2.gz DHVFAJVFWBXZFQ-OAHLLOKOSA-N 1 3 300.421 3.608 20 0 DHADHO C[C@H](CNC[C@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415079458 334270748 /nfs/dbraw/zinc/27/07/48/334270748.db2.gz HYJFWPZRXKLHGN-NEPJUHHUSA-N 1 3 301.261 3.686 20 0 DHADHO C[C@H](C[NH2+]C[C@H]1CCCNC1)c1c(Cl)cccc1Cl ZINC000415079458 334270749 /nfs/dbraw/zinc/27/07/49/334270749.db2.gz HYJFWPZRXKLHGN-NEPJUHHUSA-N 1 3 301.261 3.686 20 0 DHADHO CCOCc1ccccc1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415097765 334281214 /nfs/dbraw/zinc/28/12/14/334281214.db2.gz DKKYFQJMHSLSQC-NHCUHLMSSA-N 1 3 324.468 3.806 20 0 DHADHO c1ccc2c(c1)C1C[C@@H](C[NH2+]C3CCNCC3)C2c2ccccc21 ZINC000415110966 334281781 /nfs/dbraw/zinc/28/17/81/334281781.db2.gz QUPZEMJXNBEYIU-NYMDZQDESA-N 1 3 318.464 3.625 20 0 DHADHO Cc1ccc(N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(CN(C)C)c1 ZINC000415112641 334281967 /nfs/dbraw/zinc/28/19/67/334281967.db2.gz CYIGAYHPAJDEOW-FPOVZHCZSA-N 1 3 323.484 3.962 20 0 DHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccccc2)CC1 ZINC000531932742 334297103 /nfs/dbraw/zinc/29/71/03/334297103.db2.gz RZBNZDYSHRHZJZ-YLJYHZDGSA-N 1 3 300.490 3.862 20 0 DHADHO CC(C)=CCC[C@H](C)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000531955196 334306646 /nfs/dbraw/zinc/30/66/46/334306646.db2.gz DYSXNRXDXKMSNS-KRWDZBQOSA-N 1 3 304.478 3.852 20 0 DHADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c(OC(C)C)c1 ZINC000531992148 334366370 /nfs/dbraw/zinc/36/63/70/334366370.db2.gz JVWKFOJGAUNKJB-JFIYKMOQSA-N 1 3 304.478 3.601 20 0 DHADHO CC[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C(C)C ZINC000342806209 334578289 /nfs/dbraw/zinc/57/82/89/334578289.db2.gz OGQJQJKZMBLUHD-LJQANCHMSA-N 1 3 304.478 3.684 20 0 DHADHO CCc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)c2ccccc2n1 ZINC000443676590 338459854 /nfs/dbraw/zinc/45/98/54/338459854.db2.gz UWNUCMJLSIFDER-QGZVFWFLSA-N 1 3 309.457 3.862 20 0 DHADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344115423 335218334 /nfs/dbraw/zinc/21/83/34/335218334.db2.gz XJPPICXVJJGWJC-BEFAXECRSA-N 1 3 304.453 3.913 20 0 DHADHO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000345153260 335301870 /nfs/dbraw/zinc/30/18/70/335301870.db2.gz BXQMCXPLZHNMOM-SWLSCSKDSA-N 1 3 300.393 3.669 20 0 DHADHO C[C@H](NCCCC[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000348049073 335548078 /nfs/dbraw/zinc/54/80/78/335548078.db2.gz UFOONOWLJLIHDQ-AWEZNQCLSA-N 1 3 303.475 3.803 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2cnc(CC(C)C)s2)CC1 ZINC000350184106 335733028 /nfs/dbraw/zinc/73/30/28/335733028.db2.gz LXXVVQXNEOAMFO-UHFFFAOYSA-N 1 3 323.550 3.895 20 0 DHADHO CC(C)=CCC[C@H](C)[NH2+]Cc1ccccc1OCCN(C)C ZINC000532205557 335915135 /nfs/dbraw/zinc/91/51/35/335915135.db2.gz JTGHIUGNZOUWKC-KRWDZBQOSA-N 1 3 304.478 3.852 20 0 DHADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417952510 336026912 /nfs/dbraw/zinc/02/69/12/336026912.db2.gz MZZYUGCSYGZVKD-HOJAQTOUSA-N 1 3 300.490 3.748 20 0 DHADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417952510 336026913 /nfs/dbraw/zinc/02/69/13/336026913.db2.gz MZZYUGCSYGZVKD-HOJAQTOUSA-N 1 3 300.490 3.748 20 0 DHADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417952510 336026915 /nfs/dbraw/zinc/02/69/15/336026915.db2.gz MZZYUGCSYGZVKD-HOJAQTOUSA-N 1 3 300.490 3.748 20 0 DHADHO CC(C)[C@@H]([NH2+]Cc1ccc(OCCN2CCCC2)cc1)C1CC1 ZINC000532507224 336252817 /nfs/dbraw/zinc/25/28/17/336252817.db2.gz ZDHLAACLGGIAIC-HXUWFJFHSA-N 1 3 316.489 3.685 20 0 DHADHO C[C@@H](c1cccnc1)[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352831591 336269664 /nfs/dbraw/zinc/26/96/64/336269664.db2.gz LXSBMQPJLPHFRL-RXVVDRJESA-N 1 3 321.468 3.741 20 0 DHADHO C[C@@H](c1cccnc1)[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352831591 336269665 /nfs/dbraw/zinc/26/96/65/336269665.db2.gz LXSBMQPJLPHFRL-RXVVDRJESA-N 1 3 321.468 3.741 20 0 DHADHO CO[C@@H](C)[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000482634753 336323837 /nfs/dbraw/zinc/32/38/37/336323837.db2.gz VEDGMHKRPHEVBJ-GJZGRUSLSA-N 1 3 324.896 3.565 20 0 DHADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000320856986 336374345 /nfs/dbraw/zinc/37/43/45/336374345.db2.gz AYCQZSRLJOEVEN-KUHUBIRLSA-N 1 3 309.457 3.619 20 0 DHADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000320856986 336374346 /nfs/dbraw/zinc/37/43/46/336374346.db2.gz AYCQZSRLJOEVEN-KUHUBIRLSA-N 1 3 309.457 3.619 20 0 DHADHO C[NH+](C)Cc1cccc(CNCc2ccc3c(c2)CC(C)(C)O3)c1 ZINC000105416708 336387452 /nfs/dbraw/zinc/38/74/52/336387452.db2.gz GKGKBPAVSORSPA-UHFFFAOYSA-N 1 3 324.468 3.752 20 0 DHADHO C[NH+]1CCC(C)(CNCc2cnc(C3CCCC3)s2)CC1 ZINC000355733995 336520382 /nfs/dbraw/zinc/52/03/82/336520382.db2.gz NJKNBSJQKKUJGV-UHFFFAOYSA-N 1 3 307.507 3.622 20 0 DHADHO Cc1ncc(CN2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000122063027 336991552 /nfs/dbraw/zinc/99/15/52/336991552.db2.gz ZFCGXBACXFPZLC-UHFFFAOYSA-N 1 3 307.507 3.540 20 0 DHADHO C(CCN1CCC[C@@H]([NH+]2CCCC2)CC1)CC1CCOCC1 ZINC000375593854 337014035 /nfs/dbraw/zinc/01/40/35/337014035.db2.gz AQIYMBFWKJOOJZ-LJQANCHMSA-N 1 3 308.510 3.534 20 0 DHADHO Cc1cc(CNC[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc(C)c1O ZINC000377617234 337056450 /nfs/dbraw/zinc/05/64/50/337056450.db2.gz AFXOJKBPKZEJPP-PMACEKPBSA-N 1 3 324.468 3.792 20 0 DHADHO Cc1cc(CNC[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc(C)c1O ZINC000377617234 337056451 /nfs/dbraw/zinc/05/64/51/337056451.db2.gz AFXOJKBPKZEJPP-PMACEKPBSA-N 1 3 324.468 3.792 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)CC3 ZINC000378491747 337074124 /nfs/dbraw/zinc/07/41/24/337074124.db2.gz GOSBESUDNYHHBW-IXDOHACOSA-N 1 3 323.484 3.550 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC3 ZINC000378491747 337074125 /nfs/dbraw/zinc/07/41/25/337074125.db2.gz GOSBESUDNYHHBW-IXDOHACOSA-N 1 3 323.484 3.550 20 0 DHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)CC3 ZINC000378491747 337074126 /nfs/dbraw/zinc/07/41/26/337074126.db2.gz GOSBESUDNYHHBW-IXDOHACOSA-N 1 3 323.484 3.550 20 0 DHADHO C[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccc(CO)c1 ZINC000378515299 337075005 /nfs/dbraw/zinc/07/50/05/337075005.db2.gz GKDJXSXVHWAQNY-DQLDELGASA-N 1 3 324.468 3.523 20 0 DHADHO C[C@H](NC[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cccc(CO)c1 ZINC000378515299 337075006 /nfs/dbraw/zinc/07/50/06/337075006.db2.gz GKDJXSXVHWAQNY-DQLDELGASA-N 1 3 324.468 3.523 20 0 DHADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000178035103 337159939 /nfs/dbraw/zinc/15/99/39/337159939.db2.gz CPJZEYGUAQNCEK-ZHALLVOQSA-N 1 3 304.478 3.617 20 0 DHADHO Fc1ccc2c(c1)OCCC[C@H]2NCCCC[NH+]1CCCC1 ZINC000181955290 337185468 /nfs/dbraw/zinc/18/54/68/337185468.db2.gz JGTOMDVSKWSNBK-QGZVFWFLSA-N 1 3 306.425 3.505 20 0 DHADHO CC[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1nccn1C ZINC000183383353 337191588 /nfs/dbraw/zinc/19/15/88/337191588.db2.gz PSTADNTXGJCFEU-DAWZGUTISA-N 1 3 318.509 3.504 20 0 DHADHO CCc1nc(C)c([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)s1 ZINC000183955673 337195766 /nfs/dbraw/zinc/19/57/66/337195766.db2.gz RSJVXKZDNNHEIL-ZDUSSCGKSA-N 1 3 309.523 3.787 20 0 DHADHO CC[N@H+](CCCN(C)C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000582932450 337215818 /nfs/dbraw/zinc/21/58/18/337215818.db2.gz FPFRELFUOYWKIA-UHFFFAOYSA-N 1 3 320.811 3.715 20 0 DHADHO CC[N@@H+](CCCN(C)C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000582932450 337215819 /nfs/dbraw/zinc/21/58/19/337215819.db2.gz FPFRELFUOYWKIA-UHFFFAOYSA-N 1 3 320.811 3.715 20 0 DHADHO CN1CCC[C@H]2C[N@H+](CC3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC000185522180 337248845 /nfs/dbraw/zinc/24/88/45/337248845.db2.gz PMQJIQGPYVJRPV-GRAKBVBRSA-N 1 3 318.427 3.771 20 0 DHADHO CN1CCC[C@H]2C[N@@H+](CC3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC000185522180 337248846 /nfs/dbraw/zinc/24/88/46/337248846.db2.gz PMQJIQGPYVJRPV-GRAKBVBRSA-N 1 3 318.427 3.771 20 0 DHADHO CCC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccsc1 ZINC000187726681 337269567 /nfs/dbraw/zinc/26/95/67/337269567.db2.gz BQWDWQFQVJMPTH-QAPCUYQASA-N 1 3 322.518 3.680 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000584437480 337325291 /nfs/dbraw/zinc/32/52/91/337325291.db2.gz KSTSIVBVSHGJEU-QFBILLFUSA-N 1 3 318.480 3.811 20 0 DHADHO C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000584437480 337325292 /nfs/dbraw/zinc/32/52/92/337325292.db2.gz KSTSIVBVSHGJEU-QFBILLFUSA-N 1 3 318.480 3.811 20 0 DHADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584665187 337379875 /nfs/dbraw/zinc/37/98/75/337379875.db2.gz CLSBDPXMWJMFFE-VXIBKDFQSA-N 1 3 302.462 3.545 20 0 DHADHO COc1ccc([C@H](CN)C[NH2+][C@H](c2ccccc2)C2CCC2)cc1 ZINC000420294106 337498652 /nfs/dbraw/zinc/49/86/52/337498652.db2.gz ANYZMVXBYXOHLE-TZIWHRDSSA-N 1 3 324.468 3.869 20 0 DHADHO Fc1ccc([C@@H](CC(F)(F)F)NCCC2CC[NH2+]CC2)cc1 ZINC000420374097 337500222 /nfs/dbraw/zinc/50/02/22/337500222.db2.gz NCZBDCZAXULJRW-OAHLLOKOSA-N 1 3 318.358 3.799 20 0 DHADHO Cc1ccsc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247036811 337557137 /nfs/dbraw/zinc/55/71/37/337557137.db2.gz NWZPCMBSFAYVDN-JYJNAYRXSA-N 1 3 310.507 3.597 20 0 DHADHO FC(F)(F)c1cccc(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422725699 337684349 /nfs/dbraw/zinc/68/43/49/337684349.db2.gz YOWVHACCBBTBQI-XYPWUTKMSA-N 1 3 312.379 3.511 20 0 DHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(COc2ccccc2)c1 ZINC000422737473 337684442 /nfs/dbraw/zinc/68/44/42/337684442.db2.gz ZMYNEVPDDSROGO-UTKZUKDTSA-N 1 3 324.468 3.743 20 0 DHADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422739953 337684629 /nfs/dbraw/zinc/68/46/29/337684629.db2.gz AWEZKFFLFTYVMU-QSFXBCCZSA-N 1 3 308.425 3.593 20 0 DHADHO c1ccc(SCCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422764932 337685700 /nfs/dbraw/zinc/68/57/00/337685700.db2.gz VOQAPXBNRILOCD-KURKYZTESA-N 1 3 304.503 3.679 20 0 DHADHO Cc1cccc2c(CCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c[nH]c21 ZINC000422779377 337686200 /nfs/dbraw/zinc/68/62/00/337686200.db2.gz IKPKDDNRGXQPCK-GUDVDZBRSA-N 1 3 311.473 3.529 20 0 DHADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422837805 337688596 /nfs/dbraw/zinc/68/85/96/337688596.db2.gz MWEZMDFVAHMSKH-LSDHHAIUSA-N 1 3 310.441 3.504 20 0 DHADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)c1c(Cl)cccc1Cl ZINC000422884418 337690012 /nfs/dbraw/zinc/69/00/12/337690012.db2.gz WXMNXPBOJJBTFN-JTNHKYCSSA-N 1 3 301.261 3.814 20 0 DHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000422913875 337691035 /nfs/dbraw/zinc/69/10/35/337691035.db2.gz RATISLINRCHPCR-MGPUTAFESA-N 1 3 309.457 3.521 20 0 DHADHO Cc1cc(C)c(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)c(C)c1 ZINC000422999057 337694127 /nfs/dbraw/zinc/69/41/27/337694127.db2.gz DPFCRKCASQSVBB-INIZCTEOSA-N 1 3 311.473 3.667 20 0 DHADHO c1ccc2c(c1)c1ccccc1n2CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423026138 337696187 /nfs/dbraw/zinc/69/61/87/337696187.db2.gz APJMGIXDMSDMRC-SJPCQFCGSA-N 1 3 319.452 3.667 20 0 DHADHO Cc1ccc(F)c(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423152825 337701881 /nfs/dbraw/zinc/70/18/81/337701881.db2.gz MNLWDLRLGIETEB-QXAKKESOSA-N 1 3 304.453 3.577 20 0 DHADHO Cc1cccc([C@H](NCC[C@H]2CC[NH2+]C2)c2cccc(F)c2)c1 ZINC000423251231 337707397 /nfs/dbraw/zinc/70/73/97/337707397.db2.gz RQDLBUZGOAJOJG-UZLBHIALSA-N 1 3 312.432 3.813 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C1CCC(C(F)(F)F)CC1 ZINC000423274683 337708773 /nfs/dbraw/zinc/70/87/73/337708773.db2.gz KTJIAZSJJONWEC-MQQNCABISA-N 1 3 306.416 3.851 20 0 DHADHO c1ccc(C[C@H]2CC[C@@H]([NH2+]Cc3ccc4c(c3)CNC4)C2)cc1 ZINC000423372182 337715314 /nfs/dbraw/zinc/71/53/14/337715314.db2.gz GWRNPFYIBAQFTA-DYESRHJHSA-N 1 3 306.453 3.791 20 0 DHADHO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423384953 337717848 /nfs/dbraw/zinc/71/78/48/337717848.db2.gz LEFGZQLLQWPMHX-RXVVDRJESA-N 1 3 306.453 3.791 20 0 DHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423391809 337718326 /nfs/dbraw/zinc/71/83/26/337718326.db2.gz LBKXXJAEHVDJAN-UWIFEVILSA-N 1 3 306.881 3.954 20 0 DHADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@H]1CC1(C)C ZINC000423468973 337721027 /nfs/dbraw/zinc/72/10/27/337721027.db2.gz KCDWLEONPQHZKT-AETAKHFUSA-N 1 3 304.453 3.543 20 0 DHADHO Cc1c([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cnn1C(C)C ZINC000423511591 337723960 /nfs/dbraw/zinc/72/39/60/337723960.db2.gz NQVNMHNJAPIEER-DNVCBOLYSA-N 1 3 314.477 3.903 20 0 DHADHO Cc1c([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cnn1C(C)C ZINC000423511592 337723996 /nfs/dbraw/zinc/72/39/96/337723996.db2.gz NQVNMHNJAPIEER-HNAYVOBHSA-N 1 3 314.477 3.903 20 0 DHADHO CCOc1ccc(Cl)cc1[C@H](C)NCCC1=CC[NH2+]CC1 ZINC000423534826 337724834 /nfs/dbraw/zinc/72/48/34/337724834.db2.gz AYPBJFGPRWFMDY-ZDUSSCGKSA-N 1 3 308.853 3.699 20 0 DHADHO C[C@@H]1C[C@@H](NCc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000515013574 337977718 /nfs/dbraw/zinc/97/77/18/337977718.db2.gz ITBDMDOGHNJXCW-OXQOHEQNSA-N 1 3 324.468 3.965 20 0 DHADHO CCOC1(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCCC1 ZINC000516497241 338013850 /nfs/dbraw/zinc/01/38/50/338013850.db2.gz LKIJCPMQKKSYED-IEBWSBKVSA-N 1 3 322.537 3.968 20 0 DHADHO CCOC1(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CCCC1 ZINC000516497241 338013851 /nfs/dbraw/zinc/01/38/51/338013851.db2.gz LKIJCPMQKKSYED-IEBWSBKVSA-N 1 3 322.537 3.968 20 0 DHADHO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H](C)CN(C)C ZINC000425938050 338019000 /nfs/dbraw/zinc/01/90/00/338019000.db2.gz VDDNGDWBRRIQSW-QAPCUYQASA-N 1 3 304.478 3.811 20 0 DHADHO CC[NH+]1CCC(CCNCc2ccc(C(F)(F)F)s2)CC1 ZINC000428869134 338063383 /nfs/dbraw/zinc/06/33/83/338063383.db2.gz UGQRAEARSUFDQU-UHFFFAOYSA-N 1 3 320.424 3.979 20 0 DHADHO CN(C)CCC[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000429365042 338078716 /nfs/dbraw/zinc/07/87/16/338078716.db2.gz HOOUQUFOJRDSNY-LJQANCHMSA-N 1 3 300.421 3.651 20 0 DHADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCOc2cccc3ccccc32)C1 ZINC000430551433 338108461 /nfs/dbraw/zinc/10/84/61/338108461.db2.gz PSVMOOXDNLLDMY-SJLPKXTDSA-N 1 3 312.457 3.668 20 0 DHADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCSc2ccccc2Cl)C1 ZINC000430585950 338109327 /nfs/dbraw/zinc/10/93/27/338109327.db2.gz UIRCIGYRCKXNOJ-ZIAGYGMSSA-N 1 3 312.910 3.881 20 0 DHADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000431597115 338134429 /nfs/dbraw/zinc/13/44/29/338134429.db2.gz RWVISXMOSJVXDZ-DLBZAZTESA-N 1 3 306.519 3.831 20 0 DHADHO CCN(C)C[C@H]1CC[N@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000431597115 338134430 /nfs/dbraw/zinc/13/44/30/338134430.db2.gz RWVISXMOSJVXDZ-DLBZAZTESA-N 1 3 306.519 3.831 20 0 DHADHO CC[N@H+](C)C[C@H]1CCN([C@@H](C)CCSc2ccccc2)C1 ZINC000431597115 338134431 /nfs/dbraw/zinc/13/44/31/338134431.db2.gz RWVISXMOSJVXDZ-DLBZAZTESA-N 1 3 306.519 3.831 20 0 DHADHO CC[N@@H+](C)C[C@H]1CCN([C@@H](C)CCSc2ccccc2)C1 ZINC000431597115 338134432 /nfs/dbraw/zinc/13/44/32/338134432.db2.gz RWVISXMOSJVXDZ-DLBZAZTESA-N 1 3 306.519 3.831 20 0 DHADHO COc1ccc(C[N@@H+]2CCC[C@H](N(C)C)CC2)c2ccccc12 ZINC000432799046 338168295 /nfs/dbraw/zinc/16/82/95/338168295.db2.gz VOFLPNZJQRVPRP-KRWDZBQOSA-N 1 3 312.457 3.765 20 0 DHADHO COc1ccc(C[N@H+]2CCC[C@H](N(C)C)CC2)c2ccccc12 ZINC000432799046 338168296 /nfs/dbraw/zinc/16/82/96/338168296.db2.gz VOFLPNZJQRVPRP-KRWDZBQOSA-N 1 3 312.457 3.765 20 0 DHADHO Cc1ccc(CCCNC[C@H]2CCC[N@@H+]2C2CCCCC2)cn1 ZINC000437343229 338307369 /nfs/dbraw/zinc/30/73/69/338307369.db2.gz CGCVTAHBMVKHSM-HXUWFJFHSA-N 1 3 315.505 3.709 20 0 DHADHO Cc1ccc(CCCNC[C@H]2CCC[N@H+]2C2CCCCC2)cn1 ZINC000437343229 338307370 /nfs/dbraw/zinc/30/73/70/338307370.db2.gz CGCVTAHBMVKHSM-HXUWFJFHSA-N 1 3 315.505 3.709 20 0 DHADHO CC(C)N1CCC[C@@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000438211474 338336646 /nfs/dbraw/zinc/33/66/46/338336646.db2.gz WBRSWSAJAMIJHJ-SFHVURJKSA-N 1 3 304.478 3.556 20 0 DHADHO CC[C@H](F)CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440785251 338397367 /nfs/dbraw/zinc/39/73/67/338397367.db2.gz KCTKQXAWLTZFLL-SFHVURJKSA-N 1 3 304.453 3.723 20 0 DHADHO CC[C@H](F)CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000440785251 338397368 /nfs/dbraw/zinc/39/73/68/338397368.db2.gz KCTKQXAWLTZFLL-SFHVURJKSA-N 1 3 304.453 3.723 20 0 DHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(F)c1 ZINC000446816806 338536680 /nfs/dbraw/zinc/53/66/80/338536680.db2.gz DYKQKPQODLPRAN-MDZRGWNJSA-N 1 3 322.468 3.756 20 0 DHADHO CC(C)COc1ccccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000449288622 338609749 /nfs/dbraw/zinc/60/97/49/338609749.db2.gz NKKRJSJDLLMYSF-UHFFFAOYSA-N 1 3 316.489 3.685 20 0 DHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCC2(O)CCC2)CC1 ZINC000449309757 338611617 /nfs/dbraw/zinc/61/16/17/338611617.db2.gz CEUOZIDYQGYJET-UHFFFAOYSA-N 1 3 310.526 3.560 20 0 DHADHO CC1CCN(CCN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000451900593 338747802 /nfs/dbraw/zinc/74/78/02/338747802.db2.gz KPXPUEQKBVFCKD-UHFFFAOYSA-N 1 3 323.569 3.551 20 0 DHADHO c1cc(N2CCC(C[NH2+][C@H](C3CC3)C3CCCC3)CC2)ccn1 ZINC000453138485 338798614 /nfs/dbraw/zinc/79/86/14/338798614.db2.gz ABFALDHKFIKRDY-FQEVSTJZSA-N 1 3 313.489 3.856 20 0 DHADHO FC1(F)CCC(CN2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000459333773 339022466 /nfs/dbraw/zinc/02/24/66/339022466.db2.gz CCJSYNRPIDZJOD-INIZCTEOSA-N 1 3 300.437 3.620 20 0 DHADHO FC1(F)CCC(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000459333773 339022467 /nfs/dbraw/zinc/02/24/67/339022467.db2.gz CCJSYNRPIDZJOD-INIZCTEOSA-N 1 3 300.437 3.620 20 0 DHADHO FC1(F)CCC(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000459333773 339022468 /nfs/dbraw/zinc/02/24/68/339022468.db2.gz CCJSYNRPIDZJOD-INIZCTEOSA-N 1 3 300.437 3.620 20 0 DHADHO c1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)ccn1 ZINC000459379011 339025729 /nfs/dbraw/zinc/02/57/29/339025729.db2.gz OROKOQRACHIHCE-YQVWRLOYSA-N 1 3 313.489 3.999 20 0 DHADHO Cc1cc(C)cc(C[C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459418155 339028010 /nfs/dbraw/zinc/02/80/10/339028010.db2.gz ILERWEFBNJKKPL-SFHVURJKSA-N 1 3 323.484 3.888 20 0 DHADHO Cc1ccc(CC[C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)o1 ZINC000459420930 339028182 /nfs/dbraw/zinc/02/81/82/339028182.db2.gz LMRSFIUISGVXGX-OAHLLOKOSA-N 1 3 313.445 3.563 20 0 DHADHO CC(C)CC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCC1 ZINC000459447518 339029719 /nfs/dbraw/zinc/02/97/19/339029719.db2.gz QNZXCWQJNCWFQL-UHFFFAOYSA-N 1 3 301.478 3.856 20 0 DHADHO CC[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459577757 339036986 /nfs/dbraw/zinc/03/69/86/339036986.db2.gz WJTFBONWBHXBQQ-DLBZAZTESA-N 1 3 301.478 3.856 20 0 DHADHO COC1CCC([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000459667626 339041783 /nfs/dbraw/zinc/04/17/83/339041783.db2.gz BGHMRFDYGLMLJQ-GSHBMFQSSA-N 1 3 308.510 3.577 20 0 DHADHO CCC[NH+]1CCC(N[C@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000462102415 339072235 /nfs/dbraw/zinc/07/22/35/339072235.db2.gz BZNGGAZOIBTJNK-VQTJNVASSA-N 1 3 316.489 3.679 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000462491943 339079941 /nfs/dbraw/zinc/07/99/41/339079941.db2.gz SPKYXKSCVSLWIE-KRWDZBQOSA-N 1 3 309.457 3.916 20 0 DHADHO Cc1cccc2c1ncc(C)c2N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000462512063 339080270 /nfs/dbraw/zinc/08/02/70/339080270.db2.gz OYXRVJBGCTZUOU-KRWDZBQOSA-N 1 3 309.457 3.916 20 0 DHADHO CN(CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C1CCCCC1 ZINC000462791489 339088985 /nfs/dbraw/zinc/08/89/85/339088985.db2.gz LHZPCVBKXIKIQO-CEXWTWQISA-N 1 3 322.537 3.826 20 0 DHADHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000463542025 339120896 /nfs/dbraw/zinc/12/08/96/339120896.db2.gz IOFQMNQRHCWEEZ-QRQLOZEOSA-N 1 3 300.490 3.890 20 0 DHADHO CCN1CCC[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000466361843 339200735 /nfs/dbraw/zinc/20/07/35/339200735.db2.gz YUXPAIBTKRMGDW-SLTAFYQDSA-N 1 3 306.416 3.677 20 0 DHADHO CC(C)N(C)CCC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311540 339231318 /nfs/dbraw/zinc/23/13/18/339231318.db2.gz SGDUYPNSMUZUNR-CQSZACIVSA-N 1 3 316.411 3.956 20 0 DHADHO CC(C)[N@@H+](C)CCCN[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311540 339231319 /nfs/dbraw/zinc/23/13/19/339231319.db2.gz SGDUYPNSMUZUNR-CQSZACIVSA-N 1 3 316.411 3.956 20 0 DHADHO CC(C)[N@H+](C)CCCN[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311540 339231320 /nfs/dbraw/zinc/23/13/20/339231320.db2.gz SGDUYPNSMUZUNR-CQSZACIVSA-N 1 3 316.411 3.956 20 0 DHADHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000467444546 339239001 /nfs/dbraw/zinc/23/90/01/339239001.db2.gz HPVSMZYDXDHCJB-BQFCYCMXSA-N 1 3 304.478 3.714 20 0 DHADHO C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000468032924 339251834 /nfs/dbraw/zinc/25/18/34/339251834.db2.gz DNQSCASTUTZFOF-QWHCGFSZSA-N 1 3 318.383 3.619 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC1CCOCC1 ZINC000468553075 339266097 /nfs/dbraw/zinc/26/60/97/339266097.db2.gz JJKGKHRMJQZMMX-WDSOQIARSA-N 1 3 310.526 3.682 20 0 DHADHO CC(C)c1ccc(CCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000468962595 339276002 /nfs/dbraw/zinc/27/60/02/339276002.db2.gz JWDAYEXOPJDCIA-LJQANCHMSA-N 1 3 300.490 3.770 20 0 DHADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3OC3CCCC3)C[C@H]21 ZINC000469871983 339303312 /nfs/dbraw/zinc/30/33/12/339303312.db2.gz JHYHYIAWYGIZNZ-ATZDWAIDSA-N 1 3 314.473 3.567 20 0 DHADHO C[NH2+]CC1CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC000470023244 339309005 /nfs/dbraw/zinc/30/90/05/339309005.db2.gz YGUODOBIWGHGET-UHFFFAOYSA-N 1 3 324.468 3.697 20 0 DHADHO CCC[N@H+](C)C[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000471025728 339334692 /nfs/dbraw/zinc/33/46/92/339334692.db2.gz OTNBRSIMNLVQJB-KRWDZBQOSA-N 1 3 308.897 3.936 20 0 DHADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000471025728 339334693 /nfs/dbraw/zinc/33/46/93/339334693.db2.gz OTNBRSIMNLVQJB-KRWDZBQOSA-N 1 3 308.897 3.936 20 0 DHADHO CCCN(C)C[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000471025728 339334694 /nfs/dbraw/zinc/33/46/94/339334694.db2.gz OTNBRSIMNLVQJB-KRWDZBQOSA-N 1 3 308.897 3.936 20 0 DHADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000471025728 339334695 /nfs/dbraw/zinc/33/46/95/339334695.db2.gz OTNBRSIMNLVQJB-KRWDZBQOSA-N 1 3 308.897 3.936 20 0 DHADHO CCC(O)(CC)CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000471782232 339353796 /nfs/dbraw/zinc/35/37/96/339353796.db2.gz RVNFPAQWCCRTIM-SJLPKXTDSA-N 1 3 310.526 3.560 20 0 DHADHO CCC(O)(CC)CC[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000471782232 339353797 /nfs/dbraw/zinc/35/37/97/339353797.db2.gz RVNFPAQWCCRTIM-SJLPKXTDSA-N 1 3 310.526 3.560 20 0 DHADHO CCCCOc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000472597772 339374875 /nfs/dbraw/zinc/37/48/75/339374875.db2.gz CJKJRSFHEATQIX-UHFFFAOYSA-N 1 3 316.489 3.926 20 0 DHADHO CCCCOc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000472597772 339374876 /nfs/dbraw/zinc/37/48/76/339374876.db2.gz CJKJRSFHEATQIX-UHFFFAOYSA-N 1 3 316.489 3.926 20 0 DHADHO CCCCOc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000472597772 339374877 /nfs/dbraw/zinc/37/48/77/339374877.db2.gz CJKJRSFHEATQIX-UHFFFAOYSA-N 1 3 316.489 3.926 20 0 DHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000474052678 339399350 /nfs/dbraw/zinc/39/93/50/339399350.db2.gz BPTXLAFIQJAIDL-VCBZYWHSSA-N 1 3 316.489 3.880 20 0 DHADHO CN(CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C1CCCCC1 ZINC000474053304 339399517 /nfs/dbraw/zinc/39/95/17/339399517.db2.gz COONGGUPMQIKQW-YSIASYRMSA-N 1 3 322.537 3.826 20 0 DHADHO COC[C@H](CC(C)C)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000481711589 339610567 /nfs/dbraw/zinc/61/05/67/339610567.db2.gz FKZPGRYKAGBEJA-KRWDZBQOSA-N 1 3 324.534 3.611 20 0 DHADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cccs1 ZINC000482540582 339635132 /nfs/dbraw/zinc/63/51/32/339635132.db2.gz YMNDZCRFZXTZGE-HNNXBMFYSA-N 1 3 318.486 3.582 20 0 DHADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cccs1 ZINC000482540583 339635203 /nfs/dbraw/zinc/63/52/03/339635203.db2.gz YMNDZCRFZXTZGE-OAHLLOKOSA-N 1 3 318.486 3.582 20 0 DHADHO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000484309312 339684599 /nfs/dbraw/zinc/68/45/99/339684599.db2.gz OIZUSLGKYMBKKE-MAUKXSAKSA-N 1 3 304.478 3.856 20 0 DHADHO C[NH+](C)CCC1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000490375273 339831434 /nfs/dbraw/zinc/83/14/34/339831434.db2.gz PTQYPLCOWVKMQA-GOSISDBHSA-N 1 3 306.881 3.991 20 0 DHADHO C[C@@H](CN1CC[C@H](C[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500122526 340050689 /nfs/dbraw/zinc/05/06/89/340050689.db2.gz IVRVQDKAILCYRG-UONOGXRCSA-N 1 3 314.395 3.692 20 0 DHADHO CC(C)OC[C@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000501440210 340081043 /nfs/dbraw/zinc/08/10/43/340081043.db2.gz YQBHWFCAUIVRKD-SFHVURJKSA-N 1 3 318.505 3.966 20 0 DHADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000516583889 340085758 /nfs/dbraw/zinc/08/57/58/340085758.db2.gz KZAFYZNWGCNCAL-NJYVYQBISA-N 1 3 308.469 3.872 20 0 DHADHO CC[NH+](CC)CC1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000506866063 340203057 /nfs/dbraw/zinc/20/30/57/340203057.db2.gz HTQZNIMAGBOOES-QAPCUYQASA-N 1 3 304.478 3.957 20 0 DHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCCSCC1 ZINC000508621576 340248497 /nfs/dbraw/zinc/24/84/97/340248497.db2.gz MOLNDTWLKOCQGL-UHFFFAOYSA-N 1 3 306.519 3.584 20 0 DHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCCSCC1 ZINC000508621576 340248498 /nfs/dbraw/zinc/24/84/98/340248498.db2.gz MOLNDTWLKOCQGL-UHFFFAOYSA-N 1 3 306.519 3.584 20 0 DHADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000510648053 340305071 /nfs/dbraw/zinc/30/50/71/340305071.db2.gz DIVJKGLONDHHMI-QLFBSQMISA-N 1 3 310.432 3.748 20 0 DHADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCCF)c1 ZINC000510753710 340309694 /nfs/dbraw/zinc/30/96/94/340309694.db2.gz PAUJGVKSBZTBMX-IEBWSBKVSA-N 1 3 322.468 3.635 20 0 DHADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCCF)cc1 ZINC000510752808 340309798 /nfs/dbraw/zinc/30/97/98/340309798.db2.gz NYWRGRAGPKHOJP-PKOBYXMFSA-N 1 3 322.468 3.635 20 0 DHADHO COCc1ccccc1/C=C(\C)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000511456051 340327650 /nfs/dbraw/zinc/32/76/50/340327650.db2.gz VRSFDKDGPARURA-SQHFCFANSA-N 1 3 316.489 3.699 20 0 DHADHO COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000511456051 340327651 /nfs/dbraw/zinc/32/76/51/340327651.db2.gz VRSFDKDGPARURA-SQHFCFANSA-N 1 3 316.489 3.699 20 0 DHADHO CC(C)CN1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512083373 340347994 /nfs/dbraw/zinc/34/79/94/340347994.db2.gz JWSJKQGNISHIJT-ARJAWSKDSA-N 1 3 308.416 3.688 20 0 DHADHO Cc1ccc(OCCCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000513150276 340395214 /nfs/dbraw/zinc/39/52/14/340395214.db2.gz OTFSNDQCQLHDOD-DFNIBXOVSA-N 1 3 316.489 3.629 20 0 DHADHO Cc1ccc(OCCCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000513150276 340395215 /nfs/dbraw/zinc/39/52/15/340395215.db2.gz OTFSNDQCQLHDOD-DFNIBXOVSA-N 1 3 316.489 3.629 20 0 DHADHO CC(C)CC[C@](C)(O)CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000513238248 340398946 /nfs/dbraw/zinc/39/89/46/340398946.db2.gz KQQVDVVAXPWOBM-IHPCNDPISA-N 1 3 324.553 3.806 20 0 DHADHO CC(C)CC[C@](C)(O)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000513238248 340398947 /nfs/dbraw/zinc/39/89/47/340398947.db2.gz KQQVDVVAXPWOBM-IHPCNDPISA-N 1 3 324.553 3.806 20 0 DHADHO CC1CC[NH+](C2CCC([NH2+]Cc3cc([O-])cc(F)c3)CC2)CC1 ZINC000185606967 340503351 /nfs/dbraw/zinc/50/33/51/340503351.db2.gz DOIYZIMWZBGGJC-UHFFFAOYSA-N 1 3 320.452 3.664 20 0 DHADHO CCC[NH+]1CCC(CN[C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191266651 340551932 /nfs/dbraw/zinc/55/19/32/340551932.db2.gz ASMJXWNBHJHEEA-HNNXBMFYSA-N 1 3 306.498 3.545 20 0 DHADHO C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000237194959 340668783 /nfs/dbraw/zinc/66/87/83/340668783.db2.gz OBTYHBYDBXFOMK-OBGWFSINSA-N 1 3 324.468 3.820 20 0 DHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCc2ccccc2CC1 ZINC000530214284 340782614 /nfs/dbraw/zinc/78/26/14/340782614.db2.gz XBWKTWAXWIZZJR-OAHLLOKOSA-N 1 3 323.484 3.695 20 0 DHADHO CC(C)(NCCC1CC[NH2+]CC1)c1nc2ccccc2s1 ZINC000530225926 340783058 /nfs/dbraw/zinc/78/30/58/340783058.db2.gz YJFYXZQJWRIFTF-UHFFFAOYSA-N 1 3 303.475 3.511 20 0 DHADHO CN(C)CCOc1cccc(-c2ccc(/C=C/CC[NH3+])cc2)c1 ZINC000530249167 340783783 /nfs/dbraw/zinc/78/37/83/340783783.db2.gz ZJSNTZYEZFAJRU-ZZXKWVIFSA-N 1 3 310.441 3.656 20 0 DHADHO CN(C)CCOc1cccc(-c2ccc(/C=C\CC[NH3+])cc2)c1 ZINC000530249165 340783839 /nfs/dbraw/zinc/78/38/39/340783839.db2.gz ZJSNTZYEZFAJRU-UTCJRWHESA-N 1 3 310.441 3.656 20 0 DHADHO FC1(F)CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000542840727 341022881 /nfs/dbraw/zinc/02/28/81/341022881.db2.gz IRWLOPQTHIDXNB-UHFFFAOYSA-N 1 3 300.437 3.951 20 0 DHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@H]3CCO[C@H](C)C3)CC2)C1 ZINC000543410032 341042707 /nfs/dbraw/zinc/04/27/07/341042707.db2.gz IPBOXMJCERPXKC-XSYGEPLQSA-N 1 3 322.537 3.824 20 0 DHADHO COc1cccc([C@@H]2C[C@@H](C)CN2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000544115934 341070790 /nfs/dbraw/zinc/07/07/90/341070790.db2.gz COHCSDSDRGUNII-AYBZRNKSSA-N 1 3 302.462 3.562 20 0 DHADHO COc1cccc([C@@H]2C[C@@H](C)CN2CC[C@@H]2CCC[N@H+]2C)c1 ZINC000544115934 341070791 /nfs/dbraw/zinc/07/07/91/341070791.db2.gz COHCSDSDRGUNII-AYBZRNKSSA-N 1 3 302.462 3.562 20 0 DHADHO Cc1ccc2nccc(N3CC[C@@H](C4CC[NH+](C)CC4)C3)c2c1 ZINC000546181467 341156480 /nfs/dbraw/zinc/15/64/80/341156480.db2.gz RLEJYWKUCBFOGB-QGZVFWFLSA-N 1 3 309.457 3.711 20 0 DHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(OC2CCCCC2)cc1 ZINC000133434411 341175105 /nfs/dbraw/zinc/17/51/05/341175105.db2.gz IRUMKLVLZIZZNA-JXFKEZNVSA-N 1 3 316.489 3.828 20 0 DHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(OC2CCCCC2)cc1 ZINC000133434411 341175106 /nfs/dbraw/zinc/17/51/06/341175106.db2.gz IRUMKLVLZIZZNA-JXFKEZNVSA-N 1 3 316.489 3.828 20 0 DHADHO C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000564317715 341207180 /nfs/dbraw/zinc/20/71/80/341207180.db2.gz OBJGOONCUXLAET-KYJSFNMBSA-N 1 3 302.462 3.567 20 0 DHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(COC)cc2)CC1 ZINC000134157767 341208115 /nfs/dbraw/zinc/20/81/15/341208115.db2.gz VPUQSKSDGSGPDT-UHFFFAOYSA-N 1 3 318.505 3.777 20 0 DHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(COC)cc2)CC1 ZINC000134157767 341208116 /nfs/dbraw/zinc/20/81/16/341208116.db2.gz VPUQSKSDGSGPDT-UHFFFAOYSA-N 1 3 318.505 3.777 20 0 DHADHO CCN1CC[C@@H](C[NH2+][C@H](CSc2ccccc2)C(C)C)C1 ZINC000245934416 341318900 /nfs/dbraw/zinc/31/89/00/341318900.db2.gz IUJARDMQKPOKKC-FUHWJXTLSA-N 1 3 306.519 3.735 20 0 DHADHO Clc1ccccc1C[C@@H]([NH2+]CCCN1CCCC1)C1CC1 ZINC000550605935 341319195 /nfs/dbraw/zinc/31/91/95/341319195.db2.gz IGZVVHKTLDBWIZ-GOSISDBHSA-N 1 3 306.881 3.737 20 0 DHADHO CCOC1(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCCC1 ZINC000550881850 341325410 /nfs/dbraw/zinc/32/54/10/341325410.db2.gz DTOBGSPJJWXFPU-PKOBYXMFSA-N 1 3 322.537 3.968 20 0 DHADHO CCOC1(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCCC1 ZINC000550881850 341325411 /nfs/dbraw/zinc/32/54/11/341325411.db2.gz DTOBGSPJJWXFPU-PKOBYXMFSA-N 1 3 322.537 3.968 20 0 DHADHO F[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000550932429 341327096 /nfs/dbraw/zinc/32/70/96/341327096.db2.gz WRZVNFWMQGANOV-QXCZDIPSSA-N 1 3 302.437 3.662 20 0 DHADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000551540170 341344863 /nfs/dbraw/zinc/34/48/63/341344863.db2.gz BPSDDNQJTVPACV-LNKGRISISA-N 1 3 316.489 3.509 20 0 DHADHO CC(C)CSCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246508106 341351110 /nfs/dbraw/zinc/35/11/10/341351110.db2.gz BNMHUOMQYROQBO-FUHWJXTLSA-N 1 3 310.551 3.714 20 0 DHADHO CC(C)CSCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246508106 341351111 /nfs/dbraw/zinc/35/11/11/341351111.db2.gz BNMHUOMQYROQBO-FUHWJXTLSA-N 1 3 310.551 3.714 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000551789338 341351682 /nfs/dbraw/zinc/35/16/82/341351682.db2.gz MWMNECSDKUXNBM-SOLBZPMBSA-N 1 3 304.478 3.999 20 0 DHADHO CCCCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000551789338 341351683 /nfs/dbraw/zinc/35/16/83/341351683.db2.gz MWMNECSDKUXNBM-SOLBZPMBSA-N 1 3 304.478 3.999 20 0 DHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000246945926 341358915 /nfs/dbraw/zinc/35/89/15/341358915.db2.gz IACDKSXZFUXWNW-OWCLPIDISA-N 1 3 324.896 3.880 20 0 DHADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000247254712 341362748 /nfs/dbraw/zinc/36/27/48/341362748.db2.gz ZYOCIYFBPMVVLD-KGLIPLIRSA-N 1 3 312.404 3.671 20 0 DHADHO COc1ccc2cc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)ccc2c1 ZINC000247946278 341371379 /nfs/dbraw/zinc/37/13/79/341371379.db2.gz HNORRZPQBJNONJ-AUSJPIAWSA-N 1 3 312.457 3.667 20 0 DHADHO COc1ccc2cc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)ccc2c1 ZINC000247946278 341371380 /nfs/dbraw/zinc/37/13/80/341371380.db2.gz HNORRZPQBJNONJ-AUSJPIAWSA-N 1 3 312.457 3.667 20 0 DHADHO CC[N@@H+]1CC[C@@H](NCC2(Sc3ccccc3)CC2)[C@@H](C)C1 ZINC000248129049 341373703 /nfs/dbraw/zinc/37/37/03/341373703.db2.gz OFLVHONKLNMVTO-DOTOQJQBSA-N 1 3 304.503 3.631 20 0 DHADHO CC[N@H+]1CC[C@@H](NCC2(Sc3ccccc3)CC2)[C@@H](C)C1 ZINC000248129049 341373704 /nfs/dbraw/zinc/37/37/04/341373704.db2.gz OFLVHONKLNMVTO-DOTOQJQBSA-N 1 3 304.503 3.631 20 0 DHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc(C)c2)[C@@H](C)C1 ZINC000248202146 341374726 /nfs/dbraw/zinc/37/47/26/341374726.db2.gz ZAGRSGWCBSBBDV-BJLQDIEVSA-N 1 3 318.505 3.783 20 0 DHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cccc(C)c2)[C@@H](C)C1 ZINC000248202146 341374727 /nfs/dbraw/zinc/37/47/27/341374727.db2.gz ZAGRSGWCBSBBDV-BJLQDIEVSA-N 1 3 318.505 3.783 20 0 DHADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCC2(CCCO2)CC1 ZINC000564388634 341375942 /nfs/dbraw/zinc/37/59/42/341375942.db2.gz BJBHQJJXOAKZJM-LHQJTOJGSA-N 1 3 322.537 3.968 20 0 DHADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000248397624 341376482 /nfs/dbraw/zinc/37/64/82/341376482.db2.gz IFDGSNBLKCYBFO-BQFCYCMXSA-N 1 3 316.489 3.999 20 0 DHADHO Cc1c([C@@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)cnn1C(C)C ZINC000248699407 341384505 /nfs/dbraw/zinc/38/45/05/341384505.db2.gz MJDYERNNKLMZLF-IAGOWNOFSA-N 1 3 320.525 3.935 20 0 DHADHO Cc1c([C@@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)cnn1C(C)C ZINC000248699407 341384506 /nfs/dbraw/zinc/38/45/06/341384506.db2.gz MJDYERNNKLMZLF-IAGOWNOFSA-N 1 3 320.525 3.935 20 0 DHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000249383687 341396978 /nfs/dbraw/zinc/39/69/78/341396978.db2.gz WJTSDFUVUGDDML-TZMCWYRMSA-N 1 3 309.523 3.741 20 0 DHADHO Fc1ccc(F)c2c1CC[C@H]2NCCCCC[NH+]1CCCC1 ZINC000556233343 341498318 /nfs/dbraw/zinc/49/83/18/341498318.db2.gz PECSZEHMAAYYDE-QGZVFWFLSA-N 1 3 308.416 3.808 20 0 DHADHO c1c2ccccc2oc1[C@@H](NCC[C@H]1CC[NH2+]C1)c1cccnc1 ZINC000566849847 341569814 /nfs/dbraw/zinc/56/98/14/341569814.db2.gz QQCVYQBBWSFHOH-QRWLVFNGSA-N 1 3 321.424 3.506 20 0 DHADHO [NH3+]Cc1ccc(CNCc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000573723247 341737133 /nfs/dbraw/zinc/73/71/33/341737133.db2.gz OBRKBCSSAYZKON-UHFFFAOYSA-N 1 3 312.310 3.593 20 0 DHADHO COc1cccc2cc([C@H](C)NCc3ccc(C[NH3+])cc3)oc21 ZINC000576637551 341856407 /nfs/dbraw/zinc/85/64/07/341856407.db2.gz LMEKPXUWDXHDKX-ZDUSSCGKSA-N 1 3 310.397 3.751 20 0 DHADHO C1COC2(C1)CCC([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC000577158307 341892202 /nfs/dbraw/zinc/89/22/02/341892202.db2.gz ITUGEGFVAGELBM-UHFFFAOYSA-N 1 3 320.521 3.865 20 0 DHADHO CC(=O)Nc1ccc([C@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000182084548 519733899 /nfs/dbraw/zinc/73/38/99/519733899.db2.gz KSEHBVRFTRMQOK-KSSFIOAISA-N 1 3 319.493 3.662 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000337346107 519770977 /nfs/dbraw/zinc/77/09/77/519770977.db2.gz VTZRCZLLISUHJD-ZWKOTPCHSA-N 1 3 318.505 3.822 20 0 DHADHO CC(C)OC[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000337346107 519770978 /nfs/dbraw/zinc/77/09/78/519770978.db2.gz VTZRCZLLISUHJD-ZWKOTPCHSA-N 1 3 318.505 3.822 20 0 DHADHO CC(C)[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000181925775 519798857 /nfs/dbraw/zinc/79/88/57/519798857.db2.gz DPEOUCWJHIJKFS-GOSISDBHSA-N 1 3 308.416 3.878 20 0 DHADHO CC[C@@H](NCc1cccc(C[NH+](CC)CC)c1)c1cnn(C)c1 ZINC000163541246 522880871 /nfs/dbraw/zinc/88/08/71/522880871.db2.gz JYDQQVTWTPHQRZ-LJQANCHMSA-N 1 3 314.477 3.503 20 0 DHADHO C[N@@H+]1CCC[C@@]2(CCN([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000339438523 523836174 /nfs/dbraw/zinc/83/61/74/523836174.db2.gz OXTJMUHVTHCTPL-RTBURBONSA-N 1 3 302.437 3.621 20 0 DHADHO C[N@H+]1CCC[C@@]2(CCN([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000339438523 523836179 /nfs/dbraw/zinc/83/61/79/523836179.db2.gz OXTJMUHVTHCTPL-RTBURBONSA-N 1 3 302.437 3.621 20 0 DHADHO C[N@@H+]1CCC[C@]2(CCN([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000339438521 523859333 /nfs/dbraw/zinc/85/93/33/523859333.db2.gz OXTJMUHVTHCTPL-OALUTQOASA-N 1 3 302.437 3.621 20 0 DHADHO C[N@H+]1CCC[C@]2(CCN([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000339438521 523859339 /nfs/dbraw/zinc/85/93/39/523859339.db2.gz OXTJMUHVTHCTPL-OALUTQOASA-N 1 3 302.437 3.621 20 0 DHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccncc2)CC1 ZINC000159060855 524097553 /nfs/dbraw/zinc/09/75/53/524097553.db2.gz WWWJXLWOOBCFPO-QGZVFWFLSA-N 1 3 301.478 3.558 20 0 DHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccncc2)CC1 ZINC000159060855 524097565 /nfs/dbraw/zinc/09/75/65/524097565.db2.gz WWWJXLWOOBCFPO-QGZVFWFLSA-N 1 3 301.478 3.558 20 0 DHADHO C[C@@H]1C[N@H+](CCCNCc2ccc(C3CCC3)cc2)CCCO1 ZINC000339375982 524948468 /nfs/dbraw/zinc/94/84/68/524948468.db2.gz OTOKJZBQWUWKTD-QGZVFWFLSA-N 1 3 316.489 3.545 20 0 DHADHO C[C@@H]1C[N@@H+](CCCNCc2ccc(C3CCC3)cc2)CCCO1 ZINC000339375982 524948472 /nfs/dbraw/zinc/94/84/72/524948472.db2.gz OTOKJZBQWUWKTD-QGZVFWFLSA-N 1 3 316.489 3.545 20 0 DHADHO C[C@H](c1nc2ccccc2o1)N1CCC(CCC[NH+](C)C)CC1 ZINC000181210775 526178398 /nfs/dbraw/zinc/17/83/98/526178398.db2.gz YUCGYTSVGGQVRT-OAHLLOKOSA-N 1 3 315.461 3.943 20 0 DHADHO Cc1cncc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000189986025 526192548 /nfs/dbraw/zinc/19/25/48/526192548.db2.gz ALNQORCLSGGKHS-UHFFFAOYSA-N 1 3 324.472 3.524 20 0 DHADHO CC[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C)c1 ZINC000286292705 535893927 /nfs/dbraw/zinc/89/39/27/535893927.db2.gz WHBSOKYWJWPDRB-PXNSSMCTSA-N 1 3 316.489 3.537 20 0 DHADHO