smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(CN2CC[C@H](OC)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139260152 796351874 /nfs/dbraw/zinc/35/18/74/796351874.db2.gz OSCPUBIKMYSZRF-CJNGLKHVSA-N 1 3 322.449 2.462 20 10 DECDHO CCN1CCC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001462541289 1058849071 /nfs/dbraw/zinc/84/90/71/1058849071.db2.gz CRGQFWPBQUKPLN-SFHVURJKSA-N 1 3 316.493 2.012 20 10 DECDHO CN1CCN(c2ccc(C[NH2+]CCN3CCCCC3)cc2)CC1 ZINC001648757543 1075008534 /nfs/dbraw/zinc/00/85/34/1075008534.db2.gz OGSGEDYAGAMPAA-UHFFFAOYSA-N 1 3 316.493 2.014 20 10 DECDHO CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254523525 1143197585 /nfs/dbraw/zinc/19/75/85/1143197585.db2.gz OUFWZDKNYCXATD-GOSISDBHSA-N 1 3 317.477 2.439 20 10 DECDHO CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254523525 1143197652 /nfs/dbraw/zinc/19/76/52/1143197652.db2.gz OUFWZDKNYCXATD-GOSISDBHSA-N 1 3 317.477 2.439 20 10 DECDHO CN1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001255475699 1143653463 /nfs/dbraw/zinc/65/34/63/1143653463.db2.gz TYKFVLSZUAADBX-KRWDZBQOSA-N 1 3 303.450 2.040 20 10 DECDHO C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000266145920 225336822 /nfs/dbraw/zinc/33/68/22/225336822.db2.gz IWIGJSKJOYBDGF-DOTOQJQBSA-N 1 3 303.450 2.096 20 10 DECDHO C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000266145920 225336827 /nfs/dbraw/zinc/33/68/27/225336827.db2.gz IWIGJSKJOYBDGF-DOTOQJQBSA-N 1 3 303.450 2.096 20 10 DECDHO Cc1ccc(O)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000378371982 534195731 /nfs/dbraw/zinc/19/57/31/534195731.db2.gz QSYNPUCCARNXNK-JFIYKMOQSA-N 1 3 304.434 2.384 20 10 DECDHO CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000162714018 625681828 /nfs/dbraw/zinc/68/18/28/625681828.db2.gz APTGHXOCLHIJOJ-GOSISDBHSA-N 1 3 317.477 2.297 20 10 DECDHO CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000162714018 625681837 /nfs/dbraw/zinc/68/18/37/625681837.db2.gz APTGHXOCLHIJOJ-GOSISDBHSA-N 1 3 317.477 2.297 20 10 DECDHO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCNCCC12CCC2 ZINC000923427269 637171623 /nfs/dbraw/zinc/17/16/23/637171623.db2.gz QPOMVVFWWHKBBC-UHFFFAOYSA-N 1 3 315.461 2.241 20 10 DECDHO c1cc(N2CCOCC2)ccc1C[N@H+]1CCNCCC12CCC2 ZINC000923427269 637171624 /nfs/dbraw/zinc/17/16/24/637171624.db2.gz QPOMVVFWWHKBBC-UHFFFAOYSA-N 1 3 315.461 2.241 20 10 DECDHO CN(C)c1ccc([C@@H](CNc2ccnc(CO)c2)[NH+](C)C)cc1 ZINC000897521173 640537063 /nfs/dbraw/zinc/53/70/63/640537063.db2.gz DSBXGTMHZCOTPU-GOSISDBHSA-N 1 3 314.433 2.355 20 10 DECDHO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000902517925 643062696 /nfs/dbraw/zinc/06/26/96/643062696.db2.gz OVGBMYKREQCOFT-FHLIZLRMSA-N 1 3 304.482 2.085 20 10 DECDHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000854230214 652661795 /nfs/dbraw/zinc/66/17/95/652661795.db2.gz JVCAOJNNTAEVGN-JKSUJKDBSA-N 1 3 303.450 2.007 20 10 DECDHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230383 652661968 /nfs/dbraw/zinc/66/19/68/652661968.db2.gz OBMLJXIYCMQUAM-KXBFYZLASA-N 1 3 317.477 2.125 20 10 DECDHO CC[NH+]1CCC(N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000125232979 684143484 /nfs/dbraw/zinc/14/34/84/684143484.db2.gz QQFLYSLVLCMGRF-UHFFFAOYSA-N 1 3 317.477 2.439 20 10 DECDHO C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1c([O-])cccc1F ZINC000886522918 692100729 /nfs/dbraw/zinc/10/07/29/692100729.db2.gz TUJBVAJYTWAMIJ-AWEZNQCLSA-N 1 3 323.456 2.456 20 10 DECDHO CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1[O-] ZINC000925852496 693353690 /nfs/dbraw/zinc/35/36/90/693353690.db2.gz BZWCKZLBMIWHLP-HIFRSBDPSA-N 1 3 318.417 2.118 20 10 DECDHO CCN1CCN(c2ccc(CN3[C@H](C)C[NH2+]C[C@@H]3C)cc2)CC1 ZINC001209873687 776775599 /nfs/dbraw/zinc/77/55/99/776775599.db2.gz FMWWQOSLUOGDHD-CALCHBBNSA-N 1 3 316.493 2.011 20 10 DECDHO COc1cc(Cl)cc(CN2CCC(F)(C[NH3+])CC2)c1O ZINC001222548473 778457910 /nfs/dbraw/zinc/45/79/10/778457910.db2.gz NIJDGHMGQNTQSN-UHFFFAOYSA-N 1 3 302.777 2.317 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3CO)cc2)CC1 ZINC001140299628 796503383 /nfs/dbraw/zinc/50/33/83/796503383.db2.gz CJFPTWZGQJOVRR-LJQANCHMSA-N 1 3 317.477 2.175 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3CO)cc2)CC1 ZINC001140299628 796503387 /nfs/dbraw/zinc/50/33/87/796503387.db2.gz CJFPTWZGQJOVRR-LJQANCHMSA-N 1 3 317.477 2.175 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H](O)CC[C@H]3C)cc2)CC1 ZINC001140301974 796504039 /nfs/dbraw/zinc/50/40/39/796504039.db2.gz GBIKNTRXTORLNB-VQIMIIECSA-N 1 3 317.477 2.174 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H](O)CC[C@H]3C)cc2)CC1 ZINC001140301974 796504043 /nfs/dbraw/zinc/50/40/43/796504043.db2.gz GBIKNTRXTORLNB-VQIMIIECSA-N 1 3 317.477 2.174 20 10 DECDHO C[C@H]1CC[C@@H](NC2CC[NH+](Cc3ccccc3[O-])CC2)C[NH2+]1 ZINC001246358802 1140888446 /nfs/dbraw/zinc/88/84/46/1140888446.db2.gz IYAJFBMSFACQSL-WMLDXEAASA-N 1 3 303.450 2.087 20 10 DECDHO COc1ccc(N2CC[NH+]([C@H]3CCCN(C)CC3)CC2)cc1 ZINC001254516450 1143172919 /nfs/dbraw/zinc/17/29/19/1143172919.db2.gz MLVGTWAMFWRCKE-INIZCTEOSA-N 1 3 303.450 2.302 20 10 DECDHO COc1ccc(CNC[C@H]2CC[N@@H+](C(C)C)C2)c(O)c1OC ZINC000894456818 637047868 /nfs/dbraw/zinc/04/78/68/637047868.db2.gz RGWDABMEMDOPLY-CYBMUJFWSA-N 1 3 308.422 2.229 20 10 DECDHO COc1ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)c(O)c1OC ZINC000894456818 637047872 /nfs/dbraw/zinc/04/78/72/637047872.db2.gz RGWDABMEMDOPLY-CYBMUJFWSA-N 1 3 308.422 2.229 20 10 DECDHO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]3CN)CC2)cc1 ZINC000841030920 650409679 /nfs/dbraw/zinc/40/96/79/650409679.db2.gz PCFAJFSNKWZXSL-KDOFPFPSSA-N 1 3 303.450 2.381 20 10 DECDHO CCOc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c([O-])c1 ZINC000760701506 640219910 /nfs/dbraw/zinc/21/99/10/640219910.db2.gz BBHXWZXOJOSARG-UHFFFAOYSA-N 1 3 322.449 2.116 20 10 DECDHO Cc1cc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc(N)n1 ZINC000897521140 640537137 /nfs/dbraw/zinc/53/71/37/640537137.db2.gz DHRPKEKHAPSIFS-OAHLLOKOSA-N 1 3 314.437 2.148 20 10 DECDHO COc1ccc(N2CCCN(C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000903442451 643354163 /nfs/dbraw/zinc/35/41/63/643354163.db2.gz QZYKQUHKAWOYSC-CVEARBPZSA-N 1 3 303.450 2.063 20 10 DECDHO COc1cccc([O-])c1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000810169931 646334576 /nfs/dbraw/zinc/33/45/76/646334576.db2.gz CBOWIXIAEGBYTA-UHFFFAOYSA-N 1 3 310.463 2.318 20 10 DECDHO Cc1cc(O)c(C[NH+]2CCC(N3CC[C@@H](O)C3)CC2)cc1C ZINC000827699052 649071335 /nfs/dbraw/zinc/07/13/35/649071335.db2.gz DJVJYNHSSQLDNS-QGZVFWFLSA-N 1 3 304.434 2.040 20 10 DECDHO COc1ccc(N2CCN(CCCCCC[NH3+])CC2)cc1F ZINC000846219995 651316006 /nfs/dbraw/zinc/31/60/06/651316006.db2.gz IHNHZXLCPMXSAT-UHFFFAOYSA-N 1 3 309.429 2.475 20 10 DECDHO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)ccc1[O-] ZINC000873294732 689204322 /nfs/dbraw/zinc/20/43/22/689204322.db2.gz YXVLLQBGBMWXBA-JSGCOSHPSA-N 1 3 308.397 2.341 20 10 DECDHO CC[N@@H+]1CC[C@@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876944081 689978795 /nfs/dbraw/zinc/97/87/95/689978795.db2.gz XTPBTDCXHRYTNJ-KRWDZBQOSA-N 1 3 317.477 2.079 20 10 DECDHO CC[N@H+]1CC[C@@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876944081 689978800 /nfs/dbraw/zinc/97/88/00/689978800.db2.gz XTPBTDCXHRYTNJ-KRWDZBQOSA-N 1 3 317.477 2.079 20 10 DECDHO COc1ccc(N2CC[C@H](CN[C@@H]3CCC[NH2+][C@@H]3C)C2)cc1 ZINC000925702193 693326909 /nfs/dbraw/zinc/32/69/09/693326909.db2.gz AKGQNYXXQQBQOS-IIDMSEBBSA-N 1 3 303.450 2.252 20 10 DECDHO C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000925845779 693351963 /nfs/dbraw/zinc/35/19/63/693351963.db2.gz QYNMUYIMUOFALT-AWEZNQCLSA-N 1 3 309.429 2.257 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](OC)C3)cc2)CC1 ZINC001140302403 796503904 /nfs/dbraw/zinc/50/39/04/796503904.db2.gz RBWZFXUXBMZYSK-SFHVURJKSA-N 1 3 303.450 2.049 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](OC)C3)cc2)CC1 ZINC001140302403 796503908 /nfs/dbraw/zinc/50/39/08/796503908.db2.gz RBWZFXUXBMZYSK-SFHVURJKSA-N 1 3 303.450 2.049 20 10 DECDHO CN1CCOc2cc(CN3CCCC[C@](C)(C[NH3+])C3)ccc21 ZINC001206556907 800554381 /nfs/dbraw/zinc/55/43/81/800554381.db2.gz ZSCURVVDLRMXFN-GOSISDBHSA-N 1 3 303.450 2.466 20 10 DECDHO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](CN)C(C)C)C2)cc1 ZINC001579224494 1067263652 /nfs/dbraw/zinc/26/36/52/1067263652.db2.gz LQOAZRUWKIGDGW-HOTGVXAUSA-N 1 3 305.466 2.342 20 10 DECDHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001650764132 1079772657 /nfs/dbraw/zinc/77/26/57/1079772657.db2.gz XVWLIFTWRVZWPF-ZWKOTPCHSA-N 1 3 316.445 2.089 20 10 DECDHO C[NH+](C)CCN(Cc1ccc(Cl)cc1[O-])[C@H]1CCC[NH2+]C1 ZINC001236934335 1138461025 /nfs/dbraw/zinc/46/10/25/1138461025.db2.gz VVCJFXHYYLAEJF-HNNXBMFYSA-N 1 3 311.857 2.161 20 10 DECDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@]1(O)CCCNC1 ZINC001246015769 1140846407 /nfs/dbraw/zinc/84/64/07/1140846407.db2.gz XJTPHXGIKHJNBE-HKUYNNGSSA-N 1 3 318.461 2.337 20 10 DECDHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(N)cc3)CC2)CC1 ZINC001336117961 1142361498 /nfs/dbraw/zinc/36/14/98/1142361498.db2.gz RUFYBJKLWNFHHL-UHFFFAOYSA-N 1 3 316.493 2.118 20 10 DECDHO CCCC[C@@H](C[NH3+])NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326077794 1148037904 /nfs/dbraw/zinc/03/79/04/1148037904.db2.gz ZAHQBXUEWANSDL-INIZCTEOSA-N 1 3 322.472 2.185 20 10 DECDHO CCCC[C@@H](CN)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326077794 1148037908 /nfs/dbraw/zinc/03/79/08/1148037908.db2.gz ZAHQBXUEWANSDL-INIZCTEOSA-N 1 3 322.472 2.185 20 10 DECDHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)ccc1[O-] ZINC000185415067 402351076 /nfs/dbraw/zinc/35/10/76/402351076.db2.gz ICLOUKXZQBXZCZ-DZGCQCFKSA-N 1 3 310.413 2.419 20 10 DECDHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1[O-] ZINC000185415067 402351078 /nfs/dbraw/zinc/35/10/78/402351078.db2.gz ICLOUKXZQBXZCZ-DZGCQCFKSA-N 1 3 310.413 2.419 20 10 DECDHO CC(C)[NH+]1CCC(N2CCN(Cc3ccccc3O)CC2)CC1 ZINC000271345563 402860039 /nfs/dbraw/zinc/86/00/39/402860039.db2.gz KFOXSOGIPMLPKB-UHFFFAOYSA-N 1 3 317.477 2.383 20 10 DECDHO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000268801022 403115034 /nfs/dbraw/zinc/11/50/34/403115034.db2.gz BABMFRJQPZFCCN-QAPCUYQASA-N 1 3 305.466 2.250 20 10 DECDHO Cc1cccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000367754800 524404539 /nfs/dbraw/zinc/40/45/39/524404539.db2.gz RDPXHSRCJRBROG-IXDOHACOSA-N 1 3 304.434 2.384 20 10 DECDHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297513866 535719116 /nfs/dbraw/zinc/71/91/16/535719116.db2.gz CSMJABAWMNFNHH-WBVHZDCISA-N 1 3 317.477 2.243 20 10 DECDHO COc1ccc(N2CCC(N[C@@H]3CCC[NH2+][C@H]3C)CC2)cc1 ZINC000841063136 650418587 /nfs/dbraw/zinc/41/85/87/650418587.db2.gz ILTPUYXBORIGQY-KBXCAEBGSA-N 1 3 303.450 2.394 20 10 DECDHO CCOc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c([O-])c1 ZINC000843125084 650900924 /nfs/dbraw/zinc/90/09/24/650900924.db2.gz NHZXJYKZZOBDOT-AEFFLSMTSA-N 1 3 320.433 2.119 20 10 DECDHO COc1cccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1O ZINC000846167893 651312530 /nfs/dbraw/zinc/31/25/30/651312530.db2.gz NRGCKVQPUJHZOI-AWEZNQCLSA-N 1 3 321.465 2.077 20 10 DECDHO COc1ccc(N2CC[C@H](N[C@@H](C)C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000849349487 651655328 /nfs/dbraw/zinc/65/53/28/651655328.db2.gz ATWSXNLBXCEAGK-XHSDSOJGSA-N 1 3 303.450 2.394 20 10 DECDHO C[C@H](N[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(N2CCOCC2)cc1 ZINC000925483490 693280517 /nfs/dbraw/zinc/28/05/17/693280517.db2.gz ZQLCREHCBZORBD-QGTPRVQTSA-N 1 3 315.461 2.444 20 10 DECDHO C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000925845781 693352012 /nfs/dbraw/zinc/35/20/12/693352012.db2.gz QYNMUYIMUOFALT-CQSZACIVSA-N 1 3 309.429 2.257 20 10 DECDHO CCN1CCC[C@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001177066302 794572564 /nfs/dbraw/zinc/57/25/64/794572564.db2.gz RHNIRNVYZVXQLJ-IBGZPJMESA-N 1 3 316.493 2.012 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(C)=O)C3)cc2)CC1 ZINC001140309602 796505135 /nfs/dbraw/zinc/50/51/35/796505135.db2.gz NHPWHAHWFKLRRD-GOSISDBHSA-N 1 3 315.461 2.239 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](C(C)=O)C3)cc2)CC1 ZINC001140309602 796505139 /nfs/dbraw/zinc/50/51/39/796505139.db2.gz NHPWHAHWFKLRRD-GOSISDBHSA-N 1 3 315.461 2.239 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC001218045102 802136991 /nfs/dbraw/zinc/13/69/91/802136991.db2.gz GDQOTDFAVFGUDC-CRAIPNDOSA-N 1 3 303.450 2.205 20 10 DECDHO CCN1CCN(c2ccc(O[C@H]3CC[C@H](C)[NH2+]C3)cc2)CC1 ZINC001218409268 802179253 /nfs/dbraw/zinc/17/92/53/802179253.db2.gz UHAHDKXLRZYOLK-YJBOKZPZSA-N 1 3 303.450 2.348 20 10 DECDHO CC(C)N1CCN(C2CC[NH+](Cc3ccc(N)cc3)CC2)CC1 ZINC001337838160 1142804473 /nfs/dbraw/zinc/80/44/73/1142804473.db2.gz JAFZDPOKJIAXSD-UHFFFAOYSA-N 1 3 316.493 2.259 20 10 DECDHO C[NH2+]C[C@@H](C)CNCc1cc(Br)cc(OC)c1O ZINC001326074003 1148036780 /nfs/dbraw/zinc/03/67/80/1148036780.db2.gz COXVYNKLXSNJMQ-SECBINFHSA-N 1 3 317.227 2.108 20 10 DECDHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185014072 402317356 /nfs/dbraw/zinc/31/73/56/402317356.db2.gz YWIZKRHEYHLCOU-INIZCTEOSA-N 1 3 305.466 2.379 20 10 DECDHO C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1[O-] ZINC000367798967 405157848 /nfs/dbraw/zinc/15/78/48/405157848.db2.gz CHNKWURPYVAAGY-GJZGRUSLSA-N 1 3 303.450 2.211 20 10 DECDHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297513859 535708649 /nfs/dbraw/zinc/70/86/49/535708649.db2.gz CSMJABAWMNFNHH-DOTOQJQBSA-N 1 3 317.477 2.243 20 10 DECDHO CN1CCN(c2ccc(C[NH2+]C[C@@H](N)c3ccccc3)cc2)CC1 ZINC000841036901 650410763 /nfs/dbraw/zinc/41/07/63/650410763.db2.gz NVASARVDWMYTBJ-HXUWFJFHSA-N 1 3 324.472 2.228 20 10 DECDHO COc1ccc(N2CCC(N[C@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000841057650 650416746 /nfs/dbraw/zinc/41/67/46/650416746.db2.gz BUPKPDWWPBHULE-KDOFPFPSSA-N 1 3 303.450 2.252 20 10 DECDHO [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000841098982 650430528 /nfs/dbraw/zinc/43/05/28/650430528.db2.gz ASMXGKSHVKUGSF-DOTOQJQBSA-N 1 3 308.397 2.250 20 10 DECDHO C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841762458 650559319 /nfs/dbraw/zinc/55/93/19/650559319.db2.gz JPPOKNDXZJGQTL-OLZOCXBDSA-N 1 3 311.857 2.332 20 10 DECDHO Cc1cc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc(N)n1 ZINC000897521139 640537006 /nfs/dbraw/zinc/53/70/06/640537006.db2.gz DHRPKEKHAPSIFS-HNNXBMFYSA-N 1 3 314.437 2.148 20 10 DECDHO C[C@H](N)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045052 650875719 /nfs/dbraw/zinc/87/57/19/650875719.db2.gz HEYRCDBFXUDNMP-MAUKXSAKSA-N 1 3 303.450 2.225 20 10 DECDHO C[C@H](N)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045052 650875720 /nfs/dbraw/zinc/87/57/20/650875720.db2.gz HEYRCDBFXUDNMP-MAUKXSAKSA-N 1 3 303.450 2.225 20 10 DECDHO CC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000843053175 650878354 /nfs/dbraw/zinc/87/83/54/650878354.db2.gz IVWVPERRVQDGKQ-FUHWJXTLSA-N 1 3 303.450 2.082 20 10 DECDHO CN(C)c1ccc(CN2CCC(OCCC[NH3+])CC2)cc1F ZINC000843055882 650879560 /nfs/dbraw/zinc/87/95/60/650879560.db2.gz AHMFIMAZZDNJHK-UHFFFAOYSA-N 1 3 309.429 2.222 20 10 DECDHO CCc1cccc(C[NH2+]C[C@@H](C)CN2CCN(CC)CC2)c1O ZINC000848894386 651549412 /nfs/dbraw/zinc/54/94/12/651549412.db2.gz DTMOBFMMBCSMAL-MRXNPFEDSA-N 1 3 319.493 2.318 20 10 DECDHO COc1cc(O)c(CNC[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000862483419 686307856 /nfs/dbraw/zinc/30/78/56/686307856.db2.gz SZQQUJRLWRCYEL-ZDUSSCGKSA-N 1 3 308.422 2.231 20 10 DECDHO COc1cc(O)c(CNC[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000862483419 686307861 /nfs/dbraw/zinc/30/78/61/686307861.db2.gz SZQQUJRLWRCYEL-ZDUSSCGKSA-N 1 3 308.422 2.231 20 10 DECDHO Cc1cc(N(C)C)ccc1C[C@@H](C)NC[C@H](O)C[NH+]1CCCC1 ZINC000863558073 686522121 /nfs/dbraw/zinc/52/21/21/686522121.db2.gz VMDMBCBRVXUKDF-APWZRJJASA-N 1 3 319.493 2.038 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(CO)C3)cc2)CC1 ZINC001140302389 796503299 /nfs/dbraw/zinc/50/32/99/796503299.db2.gz QNIRDMRKOGEZDI-LJQANCHMSA-N 1 3 317.477 2.033 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@](C)(CO)C3)cc2)CC1 ZINC001140302389 796503300 /nfs/dbraw/zinc/50/33/00/796503300.db2.gz QNIRDMRKOGEZDI-LJQANCHMSA-N 1 3 317.477 2.033 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](OC)C3)cc2)CC1 ZINC001140300937 796503521 /nfs/dbraw/zinc/50/35/21/796503521.db2.gz WJSZAMLHYFVZSP-LJQANCHMSA-N 1 3 317.477 2.439 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](OC)C3)cc2)CC1 ZINC001140300937 796503524 /nfs/dbraw/zinc/50/35/24/796503524.db2.gz WJSZAMLHYFVZSP-LJQANCHMSA-N 1 3 317.477 2.439 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCCC[C@H](O)C3)cc2)CC1 ZINC001140302716 796504008 /nfs/dbraw/zinc/50/40/08/796504008.db2.gz YMKAZTCKHBCAJD-IBGZPJMESA-N 1 3 317.477 2.175 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCCC[C@H](O)C3)cc2)CC1 ZINC001140302716 796504010 /nfs/dbraw/zinc/50/40/10/796504010.db2.gz YMKAZTCKHBCAJD-IBGZPJMESA-N 1 3 317.477 2.175 20 10 DECDHO COc1cc([O-])c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(OC)c1 ZINC001141028977 796619970 /nfs/dbraw/zinc/61/99/70/796619970.db2.gz GCEJITOZVFKCMI-UHFFFAOYSA-N 1 3 320.433 2.327 20 10 DECDHO COc1cc([O-])c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(OC)c1 ZINC001141028977 796619974 /nfs/dbraw/zinc/61/99/74/796619974.db2.gz GCEJITOZVFKCMI-UHFFFAOYSA-N 1 3 320.433 2.327 20 10 DECDHO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001331287560 1149411283 /nfs/dbraw/zinc/41/12/83/1149411283.db2.gz JKHQVICDJUPFSR-UHFFFAOYSA-N 1 3 313.449 2.068 20 10 DECDHO [NH3+]CC1(NCc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC001580245181 1067537191 /nfs/dbraw/zinc/53/71/91/1067537191.db2.gz BXGUGMRUVNUOSU-UHFFFAOYSA-N 1 3 317.477 2.399 20 10 DECDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001655725059 1080014968 /nfs/dbraw/zinc/01/49/68/1080014968.db2.gz NTYLBJOZMQYTFB-IEBWSBKVSA-N 1 3 317.477 2.486 20 10 DECDHO C[NH+](C)CCN(Cc1cc(Cl)ccc1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236924027 1138457852 /nfs/dbraw/zinc/45/78/52/1138457852.db2.gz OBPFUGPRGCZGBE-OAHLLOKOSA-N 1 3 311.857 2.161 20 10 DECDHO CN1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001254499704 1143141423 /nfs/dbraw/zinc/14/14/23/1143141423.db2.gz NYDPKXAELPDFBQ-QGZVFWFLSA-N 1 3 303.450 2.097 20 10 DECDHO C[N@@H+]1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)CC1 ZINC001254499704 1143141451 /nfs/dbraw/zinc/14/14/51/1143141451.db2.gz NYDPKXAELPDFBQ-QGZVFWFLSA-N 1 3 303.450 2.097 20 10 DECDHO C[N@H+]1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)CC1 ZINC001254499704 1143141475 /nfs/dbraw/zinc/14/14/75/1143141475.db2.gz NYDPKXAELPDFBQ-QGZVFWFLSA-N 1 3 303.450 2.097 20 10 DECDHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000154250648 402201670 /nfs/dbraw/zinc/20/16/70/402201670.db2.gz KAYSYXMEVKZBHO-KRWDZBQOSA-N 1 3 318.509 2.431 20 10 DECDHO CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185014271 402317326 /nfs/dbraw/zinc/31/73/26/402317326.db2.gz ZFPGUJWDGSUUHK-CQSZACIVSA-N 1 3 309.429 2.210 20 10 DECDHO C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1[O-] ZINC000367798966 405156757 /nfs/dbraw/zinc/15/67/57/405156757.db2.gz CHNKWURPYVAAGY-CABCVRRESA-N 1 3 303.450 2.211 20 10 DECDHO CN(C)c1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1F ZINC000769383848 641230935 /nfs/dbraw/zinc/23/09/35/641230935.db2.gz LLNOBAIYCOUKAG-UHFFFAOYSA-N 1 3 323.456 2.434 20 10 DECDHO C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)ccc1[O-] ZINC000873294731 689204266 /nfs/dbraw/zinc/20/42/66/689204266.db2.gz YXVLLQBGBMWXBA-GXTWGEPZSA-N 1 3 308.397 2.341 20 10 DECDHO COc1cc([O-])c(C[NH+]2CCC(C[NH+](C)C)CC2)c(OC)c1 ZINC001141028500 778133847 /nfs/dbraw/zinc/13/38/47/778133847.db2.gz RFYSEUPOEHVLIU-UHFFFAOYSA-N 1 3 308.422 2.183 20 10 DECDHO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001177066303 794572280 /nfs/dbraw/zinc/57/22/80/794572280.db2.gz RHNIRNVYZVXQLJ-LJQANCHMSA-N 1 3 316.493 2.012 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@H](CF)[C@H]4C3)cc2)CC1 ZINC001140305667 796503221 /nfs/dbraw/zinc/50/32/21/796503221.db2.gz FFTVZMZORUORIH-LDLYASANSA-N 1 3 317.452 2.476 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H]4[C@H](CF)[C@H]4C3)cc2)CC1 ZINC001140305667 796503224 /nfs/dbraw/zinc/50/32/24/796503224.db2.gz FFTVZMZORUORIH-LDLYASANSA-N 1 3 317.452 2.476 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](OC)C3)cc2)CC1 ZINC001140300936 796503507 /nfs/dbraw/zinc/50/35/07/796503507.db2.gz WJSZAMLHYFVZSP-IBGZPJMESA-N 1 3 317.477 2.439 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](OC)C3)cc2)CC1 ZINC001140300936 796503510 /nfs/dbraw/zinc/50/35/10/796503510.db2.gz WJSZAMLHYFVZSP-IBGZPJMESA-N 1 3 317.477 2.439 20 10 DECDHO CC(C)(C)c1cccc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235999162 1084587615 /nfs/dbraw/zinc/58/76/15/1084587615.db2.gz XNYUKDVMHHMMOZ-MZBDJJRSSA-N 1 3 304.434 2.095 20 10 DECDHO C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000185352981 296120759 /nfs/dbraw/zinc/12/07/59/296120759.db2.gz KXVPWRPHYKJUNN-CQSZACIVSA-N 1 3 323.456 2.456 20 10 DECDHO Cc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c([O-])c1 ZINC000184983412 402314821 /nfs/dbraw/zinc/31/48/21/402314821.db2.gz XGCCWXJZIKLWLT-OAHLLOKOSA-N 1 3 305.466 2.377 20 10 DECDHO [O-]c1cccc2c1[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000297731289 275048608 /nfs/dbraw/zinc/04/86/08/275048608.db2.gz NPKKVOOLBQIUKP-JKSUJKDBSA-N 1 3 304.434 2.206 20 10 DECDHO [O-]c1cccc2c1[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CC2 ZINC000297731289 275048609 /nfs/dbraw/zinc/04/86/09/275048609.db2.gz NPKKVOOLBQIUKP-JKSUJKDBSA-N 1 3 304.434 2.206 20 10 DECDHO COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c([O-])c1OC ZINC000891933708 624669773 /nfs/dbraw/zinc/66/97/73/624669773.db2.gz LWDLYYDIHFCIPC-UHFFFAOYSA-N 1 3 308.422 2.183 20 10 DECDHO COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c([O-])c1OC ZINC000891933708 624669776 /nfs/dbraw/zinc/66/97/76/624669776.db2.gz LWDLYYDIHFCIPC-UHFFFAOYSA-N 1 3 308.422 2.183 20 10 DECDHO [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000841098983 650430785 /nfs/dbraw/zinc/43/07/85/650430785.db2.gz ASMXGKSHVKUGSF-NVXWUHKLSA-N 1 3 308.397 2.250 20 10 DECDHO [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1 ZINC000841104075 650432351 /nfs/dbraw/zinc/43/23/51/650432351.db2.gz NDKKYPGYMNVZAS-NVXWUHKLSA-N 1 3 308.397 2.250 20 10 DECDHO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000902517400 643062681 /nfs/dbraw/zinc/06/26/81/643062681.db2.gz LNNZAWXERBTIMP-SNRMKQJTSA-N 1 3 318.509 2.476 20 10 DECDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c1[O-] ZINC000808697439 646130075 /nfs/dbraw/zinc/13/00/75/646130075.db2.gz JKTPQYSCMLWSJO-GFCCVEGCSA-N 1 3 312.841 2.461 20 10 DECDHO COc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000844903148 651181109 /nfs/dbraw/zinc/18/11/09/651181109.db2.gz TXZZSHTZFCKPET-DEYYWGMASA-N 1 3 320.433 2.119 20 10 DECDHO COc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000844903148 651181110 /nfs/dbraw/zinc/18/11/10/651181110.db2.gz TXZZSHTZFCKPET-DEYYWGMASA-N 1 3 320.433 2.119 20 10 DECDHO COc1cc(O)c(CNC[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000862483417 686307532 /nfs/dbraw/zinc/30/75/32/686307532.db2.gz SZQQUJRLWRCYEL-CYBMUJFWSA-N 1 3 308.422 2.231 20 10 DECDHO COc1cc(O)c(CNC[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000862483417 686307537 /nfs/dbraw/zinc/30/75/37/686307537.db2.gz SZQQUJRLWRCYEL-CYBMUJFWSA-N 1 3 308.422 2.231 20 10 DECDHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877017017 689998584 /nfs/dbraw/zinc/99/85/84/689998584.db2.gz QKSDJYQRKYBGDI-MRXNPFEDSA-N 1 3 305.466 2.064 20 10 DECDHO COc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@H](N)C34CCC4)C2)cc1 ZINC000925714712 693328607 /nfs/dbraw/zinc/32/86/07/693328607.db2.gz VJGVPKNUMFWSDE-JQFCIGGWSA-N 1 3 301.434 2.133 20 10 DECDHO COc1ccc(O)c([C@@H](C)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000925784461 693342077 /nfs/dbraw/zinc/34/20/77/693342077.db2.gz RUSCCOCIJPCFRI-MNOVXSKESA-N 1 3 300.349 2.296 20 10 DECDHO CN1CCN(c2ccc(CNCC(C)(C)[NH+](C)C)cc2F)CC1 ZINC001177081212 794578166 /nfs/dbraw/zinc/57/81/66/794578166.db2.gz DOWJYFHOBGNCER-UHFFFAOYSA-N 1 3 322.472 2.007 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CO)C3)cc2)CC1 ZINC001140299563 796502361 /nfs/dbraw/zinc/50/23/61/796502361.db2.gz ACDXWGIKJASODJ-GOSISDBHSA-N 1 3 317.477 2.033 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](CO)C3)cc2)CC1 ZINC001140299563 796502366 /nfs/dbraw/zinc/50/23/66/796502366.db2.gz ACDXWGIKJASODJ-GOSISDBHSA-N 1 3 317.477 2.033 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+](CCCO)C(C)C)cc2)CC1 ZINC001140304539 796503684 /nfs/dbraw/zinc/50/36/84/796503684.db2.gz UEGRLSGRMZZXQS-UHFFFAOYSA-N 1 3 319.493 2.421 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+](CCCO)C(C)C)cc2)CC1 ZINC001140304539 796503686 /nfs/dbraw/zinc/50/36/86/796503686.db2.gz UEGRLSGRMZZXQS-UHFFFAOYSA-N 1 3 319.493 2.421 20 10 DECDHO COc1ccc(N2CCCN(C[C@H](C[NH3+])C(C)C)CC2)cc1 ZINC001579225663 1067263892 /nfs/dbraw/zinc/26/38/92/1067263892.db2.gz SGIXKQGRWASGKG-INIZCTEOSA-N 1 3 305.466 2.438 20 10 DECDHO COc1ccc(N2CCC[N@H+](C[C@H](CN)C(C)C)CC2)cc1 ZINC001579225663 1067263897 /nfs/dbraw/zinc/26/38/97/1067263897.db2.gz SGIXKQGRWASGKG-INIZCTEOSA-N 1 3 305.466 2.438 20 10 DECDHO COc1ccc(N2CCC[N@@H+](C[C@H](CN)C(C)C)CC2)cc1 ZINC001579225663 1067263903 /nfs/dbraw/zinc/26/39/03/1067263903.db2.gz SGIXKQGRWASGKG-INIZCTEOSA-N 1 3 305.466 2.438 20 10 DECDHO C[C@@H]1CC[C@@H](NC2CC[NH+](Cc3ccccc3[O-])CC2)C[NH2+]1 ZINC001246358800 1140887835 /nfs/dbraw/zinc/88/78/35/1140887835.db2.gz IYAJFBMSFACQSL-RHSMWYFYSA-N 1 3 303.450 2.087 20 10 DECDHO CCCC[C@H](C[NH3+])NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326077795 1148037630 /nfs/dbraw/zinc/03/76/30/1148037630.db2.gz ZAHQBXUEWANSDL-MRXNPFEDSA-N 1 3 322.472 2.185 20 10 DECDHO CCCC[C@H](CN)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326077795 1148037636 /nfs/dbraw/zinc/03/76/36/1148037636.db2.gz ZAHQBXUEWANSDL-MRXNPFEDSA-N 1 3 322.472 2.185 20 10 DECDHO [O-]c1cc2c(cc1C[NH2+]CCCCC[NH+]1CCCC1)OCO2 ZINC000293165314 403405705 /nfs/dbraw/zinc/40/57/05/403405705.db2.gz VWDKDRXRGPRVOO-UHFFFAOYSA-N 1 3 306.406 2.477 20 10 DECDHO CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000162713893 625682267 /nfs/dbraw/zinc/68/22/67/625682267.db2.gz APTGHXOCLHIJOJ-SFHVURJKSA-N 1 3 317.477 2.297 20 10 DECDHO CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000162713893 625682270 /nfs/dbraw/zinc/68/22/70/625682270.db2.gz APTGHXOCLHIJOJ-SFHVURJKSA-N 1 3 317.477 2.297 20 10 DECDHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841029024 650408622 /nfs/dbraw/zinc/40/86/22/650408622.db2.gz DJBHHQJKDORDGU-DOTOQJQBSA-N 1 3 321.440 2.269 20 10 DECDHO CN(C)c1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1F ZINC000903954524 643528935 /nfs/dbraw/zinc/52/89/35/643528935.db2.gz DIYHRJMMJFQOES-LBPRGKRZSA-N 1 3 301.356 2.226 20 10 DECDHO COc1cc(O)c(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000844902894 651180879 /nfs/dbraw/zinc/18/08/79/651180879.db2.gz WLQUCVWGOMTDLM-OCCSQVGLSA-N 1 3 308.422 2.359 20 10 DECDHO [NH3+]Cc1ccc(CNCc2cc3c(cc2O)OCO3)c(F)c1 ZINC000844904713 651181536 /nfs/dbraw/zinc/18/15/36/651181536.db2.gz OLSIWCZFQOSWDZ-UHFFFAOYSA-N 1 3 304.321 2.009 20 10 DECDHO C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000925764445 693337247 /nfs/dbraw/zinc/33/72/47/693337247.db2.gz YYUAEBVDJCJTJS-APWZRJJASA-N 1 3 316.493 2.059 20 10 DECDHO COc1cc(CN2C[C@@H](CO)CC[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139254339 796350636 /nfs/dbraw/zinc/35/06/36/796350636.db2.gz HHOUYIZTQWMDKQ-KGLIPLIRSA-N 1 3 322.449 2.055 20 10 DECDHO Cc1ccc(C)c(CN2CCN(CCC[NH+](C)C)CC2)c1O ZINC001140182659 796487643 /nfs/dbraw/zinc/48/76/43/796487643.db2.gz WKERGXSBSVYDJC-UHFFFAOYSA-N 1 3 305.466 2.078 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+](C)[C@@H]3CCOC3)cc2)CC1 ZINC001140304467 796503948 /nfs/dbraw/zinc/50/39/48/796503948.db2.gz QYFSQBFBGKTYAI-GOSISDBHSA-N 1 3 303.450 2.049 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCOC3)cc2)CC1 ZINC001140304467 796503952 /nfs/dbraw/zinc/50/39/52/796503952.db2.gz QYFSQBFBGKTYAI-GOSISDBHSA-N 1 3 303.450 2.049 20 10 DECDHO CCN1CCN(c2ccc(O[C@H]3CCCC[NH2+]C3)cc2)CC1 ZINC001217974164 802126271 /nfs/dbraw/zinc/12/62/71/802126271.db2.gz GREYGKYUDIZCFK-SFHVURJKSA-N 1 3 303.450 2.349 20 10 DECDHO CCN1CCN(c2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC001234657864 1084190108 /nfs/dbraw/zinc/19/01/08/1084190108.db2.gz KKLBWEMRWYZUOY-UHFFFAOYSA-N 1 3 303.450 2.302 20 10 DECDHO COc1cc([O-])c(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(OC)c1 ZINC001276193714 1091676533 /nfs/dbraw/zinc/67/65/33/1091676533.db2.gz GVLJTAXPGBGKFL-OKILXGFUSA-N 1 3 320.433 2.183 20 10 DECDHO COc1cc([O-])c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(OC)c1 ZINC001276193714 1091676537 /nfs/dbraw/zinc/67/65/37/1091676537.db2.gz GVLJTAXPGBGKFL-OKILXGFUSA-N 1 3 320.433 2.183 20 10 DECDHO COc1cc([O-])c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(OC)c1 ZINC001276193714 1091676541 /nfs/dbraw/zinc/67/65/41/1091676541.db2.gz GVLJTAXPGBGKFL-OKILXGFUSA-N 1 3 320.433 2.183 20 10 DECDHO COc1cc([O-])c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(OC)c1 ZINC001276193714 1091676545 /nfs/dbraw/zinc/67/65/45/1091676545.db2.gz GVLJTAXPGBGKFL-OKILXGFUSA-N 1 3 320.433 2.183 20 10 DECDHO Cc1cc(O)c(C[NH+]2CCC(N(C)CCCO)CC2)cc1C ZINC000093394892 355681524 /nfs/dbraw/zinc/68/15/24/355681524.db2.gz YEJVLGXHXGQBSM-UHFFFAOYSA-N 1 3 306.450 2.288 20 10 DECDHO CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185014253 402317502 /nfs/dbraw/zinc/31/75/02/402317502.db2.gz ZFPGUJWDGSUUHK-AWEZNQCLSA-N 1 3 309.429 2.210 20 10 DECDHO Cc1ccc([O-])c([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000185647789 402367052 /nfs/dbraw/zinc/36/70/52/402367052.db2.gz JROCGMIXWWJSJX-HNNXBMFYSA-N 1 3 305.466 2.377 20 10 DECDHO CN(C)c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1F ZINC000282197895 403131521 /nfs/dbraw/zinc/13/15/21/403131521.db2.gz CLWVKIBBYYLJRZ-UHFFFAOYSA-N 1 3 322.472 2.007 20 10 DECDHO COc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(O)c1OC ZINC000894497348 637069603 /nfs/dbraw/zinc/06/96/03/637069603.db2.gz XTFXBKDBSGZZOM-HIFRSBDPSA-N 1 3 320.433 2.326 20 10 DECDHO COc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(O)c1OC ZINC000894497348 637069604 /nfs/dbraw/zinc/06/96/04/637069604.db2.gz XTFXBKDBSGZZOM-HIFRSBDPSA-N 1 3 320.433 2.326 20 10 DECDHO [O-]c1ccccc1C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000842471175 650747505 /nfs/dbraw/zinc/74/75/05/650747505.db2.gz HQWKHLQSZVRTPI-DOTOQJQBSA-N 1 3 304.434 2.373 20 10 DECDHO [O-]c1ccccc1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000842471175 650747509 /nfs/dbraw/zinc/74/75/09/650747509.db2.gz HQWKHLQSZVRTPI-DOTOQJQBSA-N 1 3 304.434 2.373 20 10 DECDHO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000902517399 643062426 /nfs/dbraw/zinc/06/24/26/643062426.db2.gz LNNZAWXERBTIMP-MNEFBYGVSA-N 1 3 318.509 2.476 20 10 DECDHO CN(C)c1ccc([C@H](CN[C@H]2C[C@@H]([NH3+])C23CCC3)N(C)C)cc1 ZINC000902518368 643062533 /nfs/dbraw/zinc/06/25/33/643062533.db2.gz PWJNKSUGFBQBCK-KSZLIROESA-N 1 3 316.493 2.215 20 10 DECDHO CC[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000902518678 643063469 /nfs/dbraw/zinc/06/34/69/643063469.db2.gz SNWYBSKNFUVNJJ-GBESFXJTSA-N 1 3 318.509 2.476 20 10 DECDHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843051022 650877715 /nfs/dbraw/zinc/87/77/15/650877715.db2.gz DENGXNDNURXTNG-NVXWUHKLSA-N 1 3 303.450 2.082 20 10 DECDHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000817900959 647377498 /nfs/dbraw/zinc/37/74/98/647377498.db2.gz XADQKIWZYPVIQV-QGTPRVQTSA-N 1 3 303.450 2.129 20 10 DECDHO C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)CC1 ZINC000834581861 649818985 /nfs/dbraw/zinc/81/89/85/649818985.db2.gz OCENHPAGRRAFNO-DOTOQJQBSA-N 1 3 315.461 2.138 20 10 DECDHO COc1ccc(N2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC000850489668 651939065 /nfs/dbraw/zinc/93/90/65/651939065.db2.gz WKUNJOAKAKAUKM-UNPWZGGWSA-N 1 3 315.461 2.489 20 10 DECDHO COc1ccc(N2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC000850489668 651939066 /nfs/dbraw/zinc/93/90/66/651939066.db2.gz WKUNJOAKAKAUKM-UNPWZGGWSA-N 1 3 315.461 2.489 20 10 DECDHO COc1ccc(N2CC[C@H](N[C@@H]3CC[NH2+]CC[C@H]3C)C2)cc1 ZINC000854217208 652658396 /nfs/dbraw/zinc/65/83/96/652658396.db2.gz KZRYYZOHDBARIG-RVKKMQEKSA-N 1 3 303.450 2.252 20 10 DECDHO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCC[C@@H]3CN)C2)cc1 ZINC000854217762 652659817 /nfs/dbraw/zinc/65/98/17/652659817.db2.gz PXGDUOYVCKDZGG-VKJFTORMSA-N 1 3 303.450 2.381 20 10 DECDHO [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873290914 689203343 /nfs/dbraw/zinc/20/33/43/689203343.db2.gz CBYWWHCNAATRKV-HUUCEWRRSA-N 1 3 302.418 2.128 20 10 DECDHO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000876881997 689962833 /nfs/dbraw/zinc/96/28/33/689962833.db2.gz WGAVEPJZTZECOT-GOSISDBHSA-N 1 3 317.477 2.222 20 10 DECDHO CC[N@H+]1CCC[C@@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000876881997 689962837 /nfs/dbraw/zinc/96/28/37/689962837.db2.gz WGAVEPJZTZECOT-GOSISDBHSA-N 1 3 317.477 2.222 20 10 DECDHO CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879649508 690699089 /nfs/dbraw/zinc/69/90/89/690699089.db2.gz VLCNSAHXFRFLIN-MRXNPFEDSA-N 1 3 305.466 2.459 20 10 DECDHO CC[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000925764354 693337342 /nfs/dbraw/zinc/33/73/42/693337342.db2.gz YSINMGLEOCXBIQ-OALUTQOASA-N 1 3 316.493 2.059 20 10 DECDHO Cc1ccc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c([O-])c1 ZINC000925842572 693350960 /nfs/dbraw/zinc/35/09/60/693350960.db2.gz APOMOWZNHZDZGQ-INIZCTEOSA-N 1 3 305.466 2.427 20 10 DECDHO CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1[O-] ZINC000925852495 693353583 /nfs/dbraw/zinc/35/35/83/693353583.db2.gz BZWCKZLBMIWHLP-DZGCQCFKSA-N 1 3 318.417 2.118 20 10 DECDHO COC[C@@H]1CCCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139253178 796348724 /nfs/dbraw/zinc/34/87/24/796348724.db2.gz OQLIEQRHXVFKCX-HNNXBMFYSA-N 1 3 308.422 2.073 20 10 DECDHO COc1cc(CN2C[C@@H](CO)CC[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139254338 796350414 /nfs/dbraw/zinc/35/04/14/796350414.db2.gz HHOUYIZTQWMDKQ-KBPBESRZSA-N 1 3 322.449 2.055 20 10 DECDHO CCN1CCN(c2ccc(C[NH+]3CC4(C3)CCOC4)cc2)CC1 ZINC001140300436 796503436 /nfs/dbraw/zinc/50/34/36/796503436.db2.gz PQTZGCWGZBPCRI-UHFFFAOYSA-N 1 3 315.461 2.051 20 10 DECDHO COc1cc([O-])c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(OC)c1 ZINC001205571582 800379293 /nfs/dbraw/zinc/37/92/93/800379293.db2.gz VGFUBAHDTLMJAY-MRXNPFEDSA-N 1 3 312.385 2.062 20 10 DECDHO COc1cc([O-])c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(OC)c1 ZINC001205571582 800379298 /nfs/dbraw/zinc/37/92/98/800379298.db2.gz VGFUBAHDTLMJAY-MRXNPFEDSA-N 1 3 312.385 2.062 20 10 DECDHO CC[NH+](CC)CCN1CCN(Cc2cccc(C)c2O)CC1 ZINC001231590771 801690400 /nfs/dbraw/zinc/69/04/00/801690400.db2.gz HRCWHQNNBKSUIQ-UHFFFAOYSA-N 1 3 305.466 2.160 20 10 DECDHO CCN1CCN(c2ccc(O[C@H]3C[NH2+]CCC[C@H]3F)cc2)CC1 ZINC001217983586 802127031 /nfs/dbraw/zinc/12/70/31/802127031.db2.gz KHLAJWOIOLCDIH-MSOLQXFVSA-N 1 3 321.440 2.297 20 10 DECDHO CC(C)(C)c1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001222104993 802644776 /nfs/dbraw/zinc/64/47/76/802644776.db2.gz PRNGOHKLJDLAMO-UHFFFAOYSA-N 1 3 317.477 2.217 20 10 DECDHO CC(C)(C)c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001222104993 802644779 /nfs/dbraw/zinc/64/47/79/802644779.db2.gz PRNGOHKLJDLAMO-UHFFFAOYSA-N 1 3 317.477 2.217 20 10 DECDHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001650764129 1079772119 /nfs/dbraw/zinc/77/21/19/1079772119.db2.gz XVWLIFTWRVZWPF-MSOLQXFVSA-N 1 3 316.445 2.089 20 10 DECDHO CN(C)c1ccc(CN2CCC[C@@](O)(C[NH3+])CC2)c(Cl)c1 ZINC001205231157 1084029906 /nfs/dbraw/zinc/02/99/06/1084029906.db2.gz XCZLTXVTGYOYTJ-INIZCTEOSA-N 1 3 311.857 2.082 20 10 DECDHO CCc1ccc(CN2CCN(CC[NH+](CC)CC)CC2)c(O)c1 ZINC001236784012 1138427586 /nfs/dbraw/zinc/42/75/86/1138427586.db2.gz RCGKVSDDSCISLZ-UHFFFAOYSA-N 1 3 319.493 2.414 20 10 DECDHO CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1[O-] ZINC000156225685 522589823 /nfs/dbraw/zinc/58/98/23/522589823.db2.gz UONGXBAODIAVPM-KRWDZBQOSA-N 1 3 305.466 2.459 20 10 DECDHO C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000925764446 634765852 /nfs/dbraw/zinc/76/58/52/634765852.db2.gz YYUAEBVDJCJTJS-LPHOPBHVSA-N 1 3 316.493 2.059 20 10 DECDHO CCN1CCN(CCC[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921527545 633613923 /nfs/dbraw/zinc/61/39/23/633613923.db2.gz OBODGXYMNOIBRS-UHFFFAOYSA-N 1 3 317.477 2.129 20 10 DECDHO COc1cccc([O-])c1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000841103808 650432166 /nfs/dbraw/zinc/43/21/66/650432166.db2.gz KCQOLKKMKJGCPQ-KBXCAEBGSA-N 1 3 320.433 2.119 20 10 DECDHO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000902517395 643062604 /nfs/dbraw/zinc/06/26/04/643062604.db2.gz LNNZAWXERBTIMP-AYOQOUSVSA-N 1 3 318.509 2.476 20 10 DECDHO COc1cc(O)c(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC ZINC000817866072 647368982 /nfs/dbraw/zinc/36/89/82/647368982.db2.gz VXJKTAGGOUZGRL-OBJOEFQTSA-N 1 3 308.422 2.215 20 10 DECDHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846139997 651310439 /nfs/dbraw/zinc/31/04/39/651310439.db2.gz XSFDUDMDGKGHGI-HNNXBMFYSA-N 1 3 321.465 2.079 20 10 DECDHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000848716616 651496054 /nfs/dbraw/zinc/49/60/54/651496054.db2.gz FOKFBHCCIDOTSF-MSOLQXFVSA-N 1 3 317.477 2.255 20 10 DECDHO C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc(F)ccc1[O-] ZINC000850500762 651940916 /nfs/dbraw/zinc/94/09/16/651940916.db2.gz JGYSLHYKXLCVMB-UONOGXRCSA-N 1 3 311.445 2.454 20 10 DECDHO COc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@@H](N)C34CCC4)C2)cc1 ZINC000925714714 693328531 /nfs/dbraw/zinc/32/85/31/693328531.db2.gz VJGVPKNUMFWSDE-XKQJLSEDSA-N 1 3 301.434 2.133 20 10 DECDHO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c([O-])c1 ZINC000925855587 693354646 /nfs/dbraw/zinc/35/46/46/693354646.db2.gz KYNGIUOJPIWINR-KBPBESRZSA-N 1 3 318.417 2.037 20 10 DECDHO [NH3+]CC[C@@H]1CN(C(=O)c2cccc3c2CCNC3)c2ccccc21 ZINC001122194205 795735054 /nfs/dbraw/zinc/73/50/54/795735054.db2.gz PQZORQJYPHETCH-OAHLLOKOSA-N 1 3 321.424 2.425 20 10 DECDHO CC[N@@H+]1CCO[C@@H]2CN(Cc3c(C)ccc(C)c3O)C[C@@H]2C1 ZINC001140178925 796486348 /nfs/dbraw/zinc/48/63/48/796486348.db2.gz CWCLQMQMRXXURP-DOTOQJQBSA-N 1 3 304.434 2.162 20 10 DECDHO CC[N@H+]1CCO[C@@H]2CN(Cc3c(C)ccc(C)c3O)C[C@@H]2C1 ZINC001140178925 796486353 /nfs/dbraw/zinc/48/63/53/796486353.db2.gz CWCLQMQMRXXURP-DOTOQJQBSA-N 1 3 304.434 2.162 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@@H](O)CC[C@H]3C)cc2)CC1 ZINC001140301973 796503133 /nfs/dbraw/zinc/50/31/33/796503133.db2.gz GBIKNTRXTORLNB-APWZRJJASA-N 1 3 317.477 2.174 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3C[C@@H](O)CC[C@H]3C)cc2)CC1 ZINC001140301973 796503140 /nfs/dbraw/zinc/50/31/40/796503140.db2.gz GBIKNTRXTORLNB-APWZRJJASA-N 1 3 317.477 2.174 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](O)C[C@H]3C)cc2)CC1 ZINC001140304686 796503547 /nfs/dbraw/zinc/50/35/47/796503547.db2.gz YHYSLHGDDLNPSR-APWZRJJASA-N 1 3 317.477 2.174 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](O)C[C@H]3C)cc2)CC1 ZINC001140304686 796503550 /nfs/dbraw/zinc/50/35/50/796503550.db2.gz YHYSLHGDDLNPSR-APWZRJJASA-N 1 3 317.477 2.174 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@]34CCOC4)cc2)CC1 ZINC001140309872 796505256 /nfs/dbraw/zinc/50/52/56/796505256.db2.gz XXYZUWICJISQJG-LJQANCHMSA-N 1 3 315.461 2.193 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@]34CCOC4)cc2)CC1 ZINC001140309872 796505259 /nfs/dbraw/zinc/50/52/59/796505259.db2.gz XXYZUWICJISQJG-LJQANCHMSA-N 1 3 315.461 2.193 20 10 DECDHO COc1cc(CN2CCC3(C2)CC[NH+](C)CC3)cc(O)c1O ZINC001204345074 800207163 /nfs/dbraw/zinc/20/71/63/800207163.db2.gz GSZRPDSTTCWIRN-UHFFFAOYSA-N 1 3 306.406 2.024 20 10 DECDHO COc1cc([O-])c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(OC)c1 ZINC001205571580 800379231 /nfs/dbraw/zinc/37/92/31/800379231.db2.gz VGFUBAHDTLMJAY-INIZCTEOSA-N 1 3 312.385 2.062 20 10 DECDHO COc1cc([O-])c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(OC)c1 ZINC001205571580 800379239 /nfs/dbraw/zinc/37/92/39/800379239.db2.gz VGFUBAHDTLMJAY-INIZCTEOSA-N 1 3 312.385 2.062 20 10 DECDHO C[C@@H](CCNCc1ccc(N2CCN(C)CC2)c(F)c1)[NH+](C)C ZINC001331549582 1149527049 /nfs/dbraw/zinc/52/70/49/1149527049.db2.gz SAGTUMKDJNWISD-HNNXBMFYSA-N 1 3 322.472 2.007 20 10 DECDHO Cn1ccc2c1cc[nH+]c2-c1ccc(N2CCN(C)CC2)nc1 ZINC001235967243 1084573623 /nfs/dbraw/zinc/57/36/23/1084573623.db2.gz YYJQTGPUHOEOEA-UHFFFAOYSA-N 1 3 307.401 2.387 20 10 DECDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@@]1(O)CCCNC1 ZINC001246015780 1140846541 /nfs/dbraw/zinc/84/65/41/1140846541.db2.gz XJTPHXGIKHJNBE-PKOBYXMFSA-N 1 3 318.461 2.337 20 10 DECDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000151064254 402013720 /nfs/dbraw/zinc/01/37/20/402013720.db2.gz HEFOAAPBRXKJCQ-GPMSIDNRSA-N 1 3 317.477 2.342 20 10 DECDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000151064254 402013723 /nfs/dbraw/zinc/01/37/23/402013723.db2.gz HEFOAAPBRXKJCQ-GPMSIDNRSA-N 1 3 317.477 2.342 20 10 DECDHO Cc1cc([O-])c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC000268410822 403080929 /nfs/dbraw/zinc/08/09/29/403080929.db2.gz HRWQPNRYMUPGRM-UHFFFAOYSA-N 1 3 306.450 2.334 20 10 DECDHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000128300385 287025245 /nfs/dbraw/zinc/02/52/45/287025245.db2.gz KRGBSEDOAIGDAR-QGZVFWFLSA-N 1 3 318.509 2.431 20 10 DECDHO C[C@@H](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N(C)C ZINC000895291883 637894182 /nfs/dbraw/zinc/89/41/82/637894182.db2.gz IXQLVSZEPJDOFN-HNNXBMFYSA-N 1 3 305.466 2.078 20 10 DECDHO COc1cc(O)c(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OC ZINC000817866073 647369379 /nfs/dbraw/zinc/36/93/79/647369379.db2.gz VXJKTAGGOUZGRL-SCRDCRAPSA-N 1 3 308.422 2.215 20 10 DECDHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817892856 647373869 /nfs/dbraw/zinc/37/38/69/647373869.db2.gz DCZWLLIHMRQKSR-YOEHRIQHSA-N 1 3 321.440 2.004 20 10 DECDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817895862 647375449 /nfs/dbraw/zinc/37/54/49/647375449.db2.gz XFBHVYNMDAFENQ-CABCVRRESA-N 1 3 305.466 2.111 20 10 DECDHO CCN1CCN(c2ccc(CN[C@H](C)C[C@H](C)[NH3+])cc2F)CC1 ZINC000817902072 647377613 /nfs/dbraw/zinc/37/76/13/647377613.db2.gz HRUFYMAAMYDCQB-LSDHHAIUSA-N 1 3 322.472 2.183 20 10 DECDHO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCC[C@H]3CN)C2)cc1 ZINC000854217759 652659951 /nfs/dbraw/zinc/65/99/51/652659951.db2.gz PXGDUOYVCKDZGG-MPGHIAIKSA-N 1 3 303.450 2.381 20 10 DECDHO COc1ccc(CNCCC[NH+]2CCC2)cc1Cn1cccn1 ZINC000873100038 689159364 /nfs/dbraw/zinc/15/93/64/689159364.db2.gz VVZXHDRYJJKAES-UHFFFAOYSA-N 1 3 314.433 2.125 20 10 DECDHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001169081605 785035785 /nfs/dbraw/zinc/03/57/85/785035785.db2.gz UHDPOGLCPRIYCJ-LUPIEILUSA-N 1 3 315.461 2.238 20 10 DECDHO CCCCN(C)CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001657178001 1080163384 /nfs/dbraw/zinc/16/33/84/1080163384.db2.gz OTEGDJXLMHRYOE-UHFFFAOYSA-N 1 3 318.509 2.260 20 10 DECDHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc2c(cc1O)CCCC2 ZINC000273589336 130141810 /nfs/dbraw/zinc/14/18/10/130141810.db2.gz OTCLLHJCIFLVHM-CQSZACIVSA-N 1 3 318.461 2.378 20 10 DECDHO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000268801018 403114949 /nfs/dbraw/zinc/11/49/49/403114949.db2.gz BABMFRJQPZFCCN-CRAIPNDOSA-N 1 3 305.466 2.250 20 10 DECDHO C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1[O-] ZINC000368330425 227008402 /nfs/dbraw/zinc/00/84/02/227008402.db2.gz WECIDFWWIGUAJT-DZGCQCFKSA-N 1 3 321.440 2.350 20 10 DECDHO COc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1OC ZINC000892106268 624784190 /nfs/dbraw/zinc/78/41/90/624784190.db2.gz UYZLKERKFNYICO-TZMCWYRMSA-N 1 3 308.422 2.324 20 10 DECDHO COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1OC ZINC000892106268 624784191 /nfs/dbraw/zinc/78/41/91/624784191.db2.gz UYZLKERKFNYICO-TZMCWYRMSA-N 1 3 308.422 2.324 20 10 DECDHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841029026 650408691 /nfs/dbraw/zinc/40/86/91/650408691.db2.gz DJBHHQJKDORDGU-RDJZCZTQSA-N 1 3 321.440 2.269 20 10 DECDHO COc1ccc(N2CCC([NH2+][C@H]3CCN[C@@H](C)C3)CC2)cc1 ZINC000841061821 650418522 /nfs/dbraw/zinc/41/85/22/650418522.db2.gz MWVJJPPPQGEXBD-HOCLYGCPSA-N 1 3 303.450 2.394 20 10 DECDHO COc1c[nH+]ccc1N1CCN(Cc2cc(C)ccc2O)CC1 ZINC000793369469 644241341 /nfs/dbraw/zinc/24/13/41/644241341.db2.gz IANACLDAXFSANF-UHFFFAOYSA-N 1 3 313.401 2.426 20 10 DECDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817895864 647374577 /nfs/dbraw/zinc/37/45/77/647374577.db2.gz XFBHVYNMDAFENQ-HUUCEWRRSA-N 1 3 305.466 2.111 20 10 DECDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185021722 649422788 /nfs/dbraw/zinc/42/27/88/649422788.db2.gz BHFYABCGZONVJY-HOTGVXAUSA-N 1 3 305.466 2.377 20 10 DECDHO COc1cc(O)c(CNCc2ccc(C[NH3+])cc2F)cc1OC ZINC000844904215 651181351 /nfs/dbraw/zinc/18/13/51/651181351.db2.gz DSEIFECDBDDHIP-UHFFFAOYSA-N 1 3 320.364 2.297 20 10 DECDHO CCc1cccc(C[NH2+]C[C@H](C)N2CCN(CC)CC2)c1O ZINC000848893356 651549037 /nfs/dbraw/zinc/54/90/37/651549037.db2.gz VAGAKZZBEUEGAL-HNNXBMFYSA-N 1 3 305.466 2.070 20 10 DECDHO CN(C)CCN(C(=O)/C=C\[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000876741804 689923938 /nfs/dbraw/zinc/92/39/38/689923938.db2.gz SXORLTRKLMWGFE-BLIJAFNYSA-N 1 3 301.434 2.137 20 10 DECDHO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c([O-])c1 ZINC000925855593 693355108 /nfs/dbraw/zinc/35/51/08/693355108.db2.gz KYNGIUOJPIWINR-UONOGXRCSA-N 1 3 318.417 2.037 20 10 DECDHO COc1cc(CN2C[C@H](CO)CC[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139254340 796349682 /nfs/dbraw/zinc/34/96/82/796349682.db2.gz HHOUYIZTQWMDKQ-UONOGXRCSA-N 1 3 322.449 2.055 20 10 DECDHO COC(=O)CC[N@H+](CCCN(C)C)Cc1cc(C)ccc1O ZINC001140621092 796546874 /nfs/dbraw/zinc/54/68/74/796546874.db2.gz OKFGGAJUBFDKDK-UHFFFAOYSA-N 1 3 308.422 2.017 20 10 DECDHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1cc(C)ccc1O ZINC001140621092 796546879 /nfs/dbraw/zinc/54/68/79/796546879.db2.gz OKFGGAJUBFDKDK-UHFFFAOYSA-N 1 3 308.422 2.017 20 10 DECDHO COC(=O)c1c(CN2CCC(C[NH3+])CC2)c2ccccc2n1C ZINC001205046718 800290599 /nfs/dbraw/zinc/29/05/99/800290599.db2.gz JQXBWDOFFDGOSY-UHFFFAOYSA-N 1 3 315.417 2.136 20 10 DECDHO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001205247836 800330711 /nfs/dbraw/zinc/33/07/11/800330711.db2.gz KBDAVZVTQBTCMY-CQSZACIVSA-N 1 3 318.339 2.087 20 10 DECDHO [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001205247836 800330719 /nfs/dbraw/zinc/33/07/19/800330719.db2.gz KBDAVZVTQBTCMY-CQSZACIVSA-N 1 3 318.339 2.087 20 10 DECDHO COCC[N@H+](C)CCCNCc1ccc(N2CCCC2)cc1 ZINC001473929708 1060771591 /nfs/dbraw/zinc/77/15/91/1060771591.db2.gz FYVWFUUVVINQQN-UHFFFAOYSA-N 1 3 305.466 2.345 20 10 DECDHO COCC[N@@H+](C)CCCNCc1ccc(N2CCCC2)cc1 ZINC001473929708 1060771605 /nfs/dbraw/zinc/77/16/05/1060771605.db2.gz FYVWFUUVVINQQN-UHFFFAOYSA-N 1 3 305.466 2.345 20 10 DECDHO C[C@@H]1C[N@H+](CCCNCc2ccc(N(C)C)cc2)CCCO1 ZINC000277625515 403238721 /nfs/dbraw/zinc/23/87/21/403238721.db2.gz BURHXNCHGFAYMW-MRXNPFEDSA-N 1 3 305.466 2.343 20 10 DECDHO C[C@@H]1C[N@@H+](CCCNCc2ccc(N(C)C)cc2)CCCO1 ZINC000277625515 403238723 /nfs/dbraw/zinc/23/87/23/403238723.db2.gz BURHXNCHGFAYMW-MRXNPFEDSA-N 1 3 305.466 2.343 20 10 DECDHO COc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1OC ZINC000892106264 624784099 /nfs/dbraw/zinc/78/40/99/624784099.db2.gz UYZLKERKFNYICO-JSGCOSHPSA-N 1 3 308.422 2.324 20 10 DECDHO COc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1OC ZINC000892106264 624784100 /nfs/dbraw/zinc/78/41/00/624784100.db2.gz UYZLKERKFNYICO-JSGCOSHPSA-N 1 3 308.422 2.324 20 10 DECDHO C[C@@H](NCCC(C)(C)[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000925741448 634345583 /nfs/dbraw/zinc/34/55/83/634345583.db2.gz RGAMHCZNVWBHOG-CYBMUJFWSA-N 1 3 309.429 2.440 20 10 DECDHO CN1CCN(CC[NH2+]Cc2ccc3c(c2)CCCO3)CC1(C)C ZINC000922099440 635864637 /nfs/dbraw/zinc/86/46/37/635864637.db2.gz PEUDQRAMHJCVOS-UHFFFAOYSA-N 1 3 317.477 2.127 20 10 DECDHO CN1CCN(c2ccc(C[NH2+]C[C@H](N)c3ccccc3)cc2)CC1 ZINC000841036900 650411070 /nfs/dbraw/zinc/41/10/70/650411070.db2.gz NVASARVDWMYTBJ-FQEVSTJZSA-N 1 3 324.472 2.228 20 10 DECDHO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000902517396 643062407 /nfs/dbraw/zinc/06/24/07/643062407.db2.gz LNNZAWXERBTIMP-IPELMVKDSA-N 1 3 318.509 2.476 20 10 DECDHO CC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000843053170 650878528 /nfs/dbraw/zinc/87/85/28/650878528.db2.gz IVWVPERRVQDGKQ-AEFFLSMTSA-N 1 3 303.450 2.082 20 10 DECDHO COc1cc(CN2CCC[C@@H](C)[C@@H]2CO)cc(C[NH+](C)C)c1O ZINC001139253133 796348999 /nfs/dbraw/zinc/34/89/99/796348999.db2.gz MZANDNWOWFZIPG-CJNGLKHVSA-N 1 3 322.449 2.055 20 10 DECDHO COc1cc(CN2CC[C@H](OC(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139258914 796349774 /nfs/dbraw/zinc/34/97/74/796349774.db2.gz AMFLWIZWJVFHKA-INIZCTEOSA-N 1 3 322.449 2.462 20 10 DECDHO COc1cc(CN2CC[C@@H]3OCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139259019 796351281 /nfs/dbraw/zinc/35/12/81/796351281.db2.gz DVDQQXXHDGIOFO-ZBFHGGJFSA-N 1 3 320.433 2.073 20 10 DECDHO C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001275267140 1091644711 /nfs/dbraw/zinc/64/47/11/1091644711.db2.gz KOKOCAYSKRWLQR-LJQANCHMSA-N 1 3 317.477 2.242 20 10 DECDHO C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001275267140 1091644714 /nfs/dbraw/zinc/64/47/14/1091644714.db2.gz KOKOCAYSKRWLQR-LJQANCHMSA-N 1 3 317.477 2.242 20 10 DECDHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc2c(cc1O)CCCC2 ZINC000273589335 130142121 /nfs/dbraw/zinc/14/21/21/130142121.db2.gz OTCLLHJCIFLVHM-AWEZNQCLSA-N 1 3 318.461 2.378 20 10 DECDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000151064309 402013539 /nfs/dbraw/zinc/01/35/39/402013539.db2.gz HEFOAAPBRXKJCQ-JTDSTZFVSA-N 1 3 317.477 2.342 20 10 DECDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000151064309 402013541 /nfs/dbraw/zinc/01/35/41/402013541.db2.gz HEFOAAPBRXKJCQ-JTDSTZFVSA-N 1 3 317.477 2.342 20 10 DECDHO C[C@H]1C[N@H+](CCCNCc2ccc(N(C)C)cc2)CCCO1 ZINC000277625513 403238371 /nfs/dbraw/zinc/23/83/71/403238371.db2.gz BURHXNCHGFAYMW-INIZCTEOSA-N 1 3 305.466 2.343 20 10 DECDHO C[C@H]1C[N@@H+](CCCNCc2ccc(N(C)C)cc2)CCCO1 ZINC000277625513 403238372 /nfs/dbraw/zinc/23/83/72/403238372.db2.gz BURHXNCHGFAYMW-INIZCTEOSA-N 1 3 305.466 2.343 20 10 DECDHO C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1[O-] ZINC000367798968 405157756 /nfs/dbraw/zinc/15/77/56/405157756.db2.gz CHNKWURPYVAAGY-HUUCEWRRSA-N 1 3 303.450 2.211 20 10 DECDHO [O-]c1cccc2c1[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000297731284 275049844 /nfs/dbraw/zinc/04/98/44/275049844.db2.gz NPKKVOOLBQIUKP-HZPDHXFCSA-N 1 3 304.434 2.206 20 10 DECDHO [O-]c1cccc2c1[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000297731284 275049845 /nfs/dbraw/zinc/04/98/45/275049845.db2.gz NPKKVOOLBQIUKP-HZPDHXFCSA-N 1 3 304.434 2.206 20 10 DECDHO COc1cc([O-])c(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000272483181 536855835 /nfs/dbraw/zinc/85/58/35/536855835.db2.gz CKBOPQBLNSGZHZ-UHFFFAOYSA-N 1 3 308.422 2.231 20 10 DECDHO CCN1CCN(CCC[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840936263 634808066 /nfs/dbraw/zinc/80/80/66/634808066.db2.gz HTNLXXYXUAJTMG-UHFFFAOYSA-N 1 3 318.509 2.178 20 10 DECDHO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)c(O)c1OC ZINC000894621489 637136606 /nfs/dbraw/zinc/13/66/06/637136606.db2.gz ACEBTWCXEPADID-SFHVURJKSA-N 1 3 320.433 2.327 20 10 DECDHO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)c(O)c1OC ZINC000894621489 637136609 /nfs/dbraw/zinc/13/66/09/637136609.db2.gz ACEBTWCXEPADID-SFHVURJKSA-N 1 3 320.433 2.327 20 10 DECDHO COc1ccc(N2CCC([NH2+][C@H]3CCNC[C@@H]3C)CC2)cc1 ZINC000841065146 650420009 /nfs/dbraw/zinc/42/00/09/650420009.db2.gz YBXCMUJCHXKZKY-KSSFIOAISA-N 1 3 303.450 2.252 20 10 DECDHO COc1cc(O)c(CN[C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000841039645 641145537 /nfs/dbraw/zinc/14/55/37/641145537.db2.gz XWUDUIBPOAXGAI-AWEZNQCLSA-N 1 3 308.422 2.407 20 10 DECDHO CCCN1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000850394897 651919285 /nfs/dbraw/zinc/91/92/85/651919285.db2.gz HPSAXHAKKHDSGQ-SFHVURJKSA-N 1 3 316.493 2.012 20 10 DECDHO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000850502177 651940611 /nfs/dbraw/zinc/94/06/11/651940611.db2.gz SNNABYOWUXPYQC-GOEBONIOSA-N 1 3 305.466 2.241 20 10 DECDHO CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879651452 690699387 /nfs/dbraw/zinc/69/93/87/690699387.db2.gz WJVRARIJXNVMDW-AWEZNQCLSA-N 1 3 319.449 2.032 20 10 DECDHO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c([O-])c1 ZINC000925855598 693354674 /nfs/dbraw/zinc/35/46/74/693354674.db2.gz KYNGIUOJPIWINR-ZIAGYGMSSA-N 1 3 318.417 2.037 20 10 DECDHO CN(C)c1ccc(CN2CCN(c3cc[nH+]cc3)CC2)c(O)c1 ZINC001232834681 801968295 /nfs/dbraw/zinc/96/82/95/801968295.db2.gz JKVFDSKAWLCGTA-UHFFFAOYSA-N 1 3 312.417 2.175 20 10 DECDHO CN1CCC[C@@]2(CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516960 1083477883 /nfs/dbraw/zinc/47/78/83/1083477883.db2.gz XLHAKVFYHKUHJH-QGZVFWFLSA-N 1 3 306.406 2.111 20 10 DECDHO CN1CCC[C@@]2(CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516960 1083477887 /nfs/dbraw/zinc/47/78/87/1083477887.db2.gz XLHAKVFYHKUHJH-QGZVFWFLSA-N 1 3 306.406 2.111 20 10 DECDHO CC1(C)CN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC(C)(C)O1 ZINC001236153090 1138333863 /nfs/dbraw/zinc/33/38/63/1138333863.db2.gz IHHLXAYSUWOROZ-UHFFFAOYSA-N 1 3 317.477 2.486 20 10 DECDHO Cc1cccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000367754801 524402614 /nfs/dbraw/zinc/40/26/14/524402614.db2.gz RDPXHSRCJRBROG-YESZJQIVSA-N 1 3 304.434 2.384 20 10 DECDHO C[C@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)c2c1c(F)ccc2[O-] ZINC000925811313 635509455 /nfs/dbraw/zinc/50/94/55/635509455.db2.gz HXMWKJAPOJGULZ-FZMZJTMJSA-N 1 3 307.413 2.092 20 10 DECDHO CN(C)c1ccc([C@H](CN[C@@H]2CC[NH2+]C2(C)C)N(C)C)cc1 ZINC000902516812 643062390 /nfs/dbraw/zinc/06/23/90/643062390.db2.gz GYEDIYDESITIQT-DLBZAZTESA-N 1 3 304.482 2.085 20 10 DECDHO CN(C)c1ccc([C@H](CN[C@H]2C[C@H]([NH3+])C23CCC3)N(C)C)cc1 ZINC000902518367 643062578 /nfs/dbraw/zinc/06/25/78/643062578.db2.gz PWJNKSUGFBQBCK-BZSNNMDCSA-N 1 3 316.493 2.215 20 10 DECDHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517426 643062753 /nfs/dbraw/zinc/06/27/53/643062753.db2.gz MEBIBJGBYSZLND-WBAXXEDZSA-N 1 3 304.482 2.085 20 10 DECDHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843051018 650877981 /nfs/dbraw/zinc/87/79/81/650877981.db2.gz DENGXNDNURXTNG-DOTOQJQBSA-N 1 3 303.450 2.082 20 10 DECDHO COc1cc(Br)cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1[O-] ZINC000843128165 650902309 /nfs/dbraw/zinc/90/23/09/650902309.db2.gz IJEMNIOPPDPZBF-BDAKNGLRSA-N 1 3 317.227 2.379 20 10 DECDHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818431979 647464773 /nfs/dbraw/zinc/46/47/73/647464773.db2.gz YURNTAOVMQWUDK-HZPDHXFCSA-N 1 3 307.413 2.022 20 10 DECDHO COc1ccc(N2CC[C@H](N[C@@H](C)C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000849349484 651655487 /nfs/dbraw/zinc/65/54/87/651655487.db2.gz ATWSXNLBXCEAGK-JYJNAYRXSA-N 1 3 303.450 2.394 20 10 DECDHO CC(C)[C@H]([NH3+])CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000853247555 652528919 /nfs/dbraw/zinc/52/89/19/652528919.db2.gz UACYWKURRCODJI-MRXNPFEDSA-N 1 3 309.429 2.125 20 10 DECDHO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)[C@H]3CCCCN3)C2)cc1 ZINC000854217677 652659066 /nfs/dbraw/zinc/65/90/66/652659066.db2.gz OPLGFWJTGFLPQW-HDMKZQKVSA-N 1 3 303.450 2.394 20 10 DECDHO COc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1Cn1cccn1 ZINC000873127093 689164543 /nfs/dbraw/zinc/16/45/43/689164543.db2.gz IBXKMAZJELYCSP-OAHLLOKOSA-N 1 3 316.449 2.227 20 10 DECDHO CC[NH+](CC)CCN1CCN(Cc2cc(C)ccc2O)CC1 ZINC001140617329 796546286 /nfs/dbraw/zinc/54/62/86/796546286.db2.gz NLLFGWBEMGKCRJ-UHFFFAOYSA-N 1 3 305.466 2.160 20 10 DECDHO COC(=O)CC[N@H+](CCCN(C)C)Cc1cccc(C)c1O ZINC001231592496 801692456 /nfs/dbraw/zinc/69/24/56/801692456.db2.gz IDMOGUUGIULJDW-UHFFFAOYSA-N 1 3 308.422 2.017 20 10 DECDHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1cccc(C)c1O ZINC001231592496 801692457 /nfs/dbraw/zinc/69/24/57/801692457.db2.gz IDMOGUUGIULJDW-UHFFFAOYSA-N 1 3 308.422 2.017 20 10 DECDHO CCN(CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC001473973161 1060782504 /nfs/dbraw/zinc/78/25/04/1060782504.db2.gz VFVSLSZBOYXGKG-UHFFFAOYSA-N 1 3 316.493 2.012 20 10 DECDHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001655725060 1080015587 /nfs/dbraw/zinc/01/55/87/1080015587.db2.gz NTYLBJOZMQYTFB-MJGOQNOKSA-N 1 3 317.477 2.486 20 10 DECDHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000282161477 299297688 /nfs/dbraw/zinc/29/76/88/299297688.db2.gz DJYHTCGLBNFJNU-INIZCTEOSA-N 1 3 318.509 2.429 20 10 DECDHO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000268801020 403115155 /nfs/dbraw/zinc/11/51/55/403115155.db2.gz BABMFRJQPZFCCN-MAUKXSAKSA-N 1 3 305.466 2.250 20 10 DECDHO C[C@H](NC1CC[NH+](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161448210 525292455 /nfs/dbraw/zinc/29/24/55/525292455.db2.gz AJCDUTKDAHXHBA-AWEZNQCLSA-N 1 3 321.440 2.407 20 10 DECDHO COc1ccc(N2CCN(CC3CC[NH+](C)CC3)CC2)cc1F ZINC000892222575 624853626 /nfs/dbraw/zinc/85/36/26/624853626.db2.gz WARRNNAGMFTSJJ-UHFFFAOYSA-N 1 3 321.440 2.298 20 10 DECDHO COc1cccc([O-])c1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000841103812 650432150 /nfs/dbraw/zinc/43/21/50/650432150.db2.gz KCQOLKKMKJGCPQ-KSSFIOAISA-N 1 3 320.433 2.119 20 10 DECDHO [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1 ZINC000841104078 650432339 /nfs/dbraw/zinc/43/23/39/650432339.db2.gz NDKKYPGYMNVZAS-WBVHZDCISA-N 1 3 308.397 2.250 20 10 DECDHO COc1cc(O)c(CN[C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000841039646 641145746 /nfs/dbraw/zinc/14/57/46/641145746.db2.gz XWUDUIBPOAXGAI-CQSZACIVSA-N 1 3 308.422 2.407 20 10 DECDHO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000902517397 643062229 /nfs/dbraw/zinc/06/22/29/643062229.db2.gz LNNZAWXERBTIMP-KFKAGJAMSA-N 1 3 318.509 2.476 20 10 DECDHO CC[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000902518676 643063608 /nfs/dbraw/zinc/06/36/08/643063608.db2.gz SNWYBSKNFUVNJJ-CEXWTWQISA-N 1 3 318.509 2.476 20 10 DECDHO C[NH2+]CC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000843049049 650877047 /nfs/dbraw/zinc/87/70/47/650877047.db2.gz GANNIBKJBQVUAO-UHFFFAOYSA-N 1 3 321.440 2.094 20 10 DECDHO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817967489 647395644 /nfs/dbraw/zinc/39/56/44/647395644.db2.gz JMIDOYAWODKPIP-GRDNDAEWSA-N 1 3 321.440 2.311 20 10 DECDHO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)[C@H]3CCCCN3)C2)cc1 ZINC000854217678 652659092 /nfs/dbraw/zinc/65/90/92/652659092.db2.gz OPLGFWJTGFLPQW-IIDMSEBBSA-N 1 3 303.450 2.394 20 10 DECDHO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000873224259 689188202 /nfs/dbraw/zinc/18/82/02/689188202.db2.gz YPXZRBMXXPCWHT-QGZVFWFLSA-N 1 3 306.406 2.318 20 10 DECDHO COc1ccc(O)c([C@H](C)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000925784463 693341545 /nfs/dbraw/zinc/34/15/45/693341545.db2.gz RUSCCOCIJPCFRI-WDEREUQCSA-N 1 3 300.349 2.296 20 10 DECDHO COc1ccc(CN[C@@H]2CCC[C@H]([NH+](C)C)C2)c(O)c1OC ZINC001342961992 1150637485 /nfs/dbraw/zinc/63/74/85/1150637485.db2.gz WLSCPDLAEHNSMM-KGLIPLIRSA-N 1 3 308.422 2.372 20 10 DECDHO COc1cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc(C[NH+](C)C)c1[O-] ZINC001139256337 796350351 /nfs/dbraw/zinc/35/03/51/796350351.db2.gz YYGRIKVSAYVIAJ-WKILWMFISA-N 1 3 322.449 2.198 20 10 DECDHO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc(C[NH+](C)C)c1[O-] ZINC001139256337 796350355 /nfs/dbraw/zinc/35/03/55/796350355.db2.gz YYGRIKVSAYVIAJ-WKILWMFISA-N 1 3 322.449 2.198 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](COC)C3)cc2)CC1 ZINC001140302089 796503006 /nfs/dbraw/zinc/50/30/06/796503006.db2.gz JPLZEJGYCVNCPL-GOSISDBHSA-N 1 3 317.477 2.297 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](COC)C3)cc2)CC1 ZINC001140302089 796503010 /nfs/dbraw/zinc/50/30/10/796503010.db2.gz JPLZEJGYCVNCPL-GOSISDBHSA-N 1 3 317.477 2.297 20 10 DECDHO CC[NH+]1CCN(c2ccc(CN3CC4(CSC4)C3)cc2)CC1 ZINC001140309590 796505079 /nfs/dbraw/zinc/50/50/79/796505079.db2.gz MXKNSSURTTULTJ-UHFFFAOYSA-N 1 3 317.502 2.377 20 10 DECDHO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](N3CC([NH3+])C3)C2)c([O-])c1 ZINC001236079336 1084606302 /nfs/dbraw/zinc/60/63/02/1084606302.db2.gz RLIOFYLFSLKXHM-KRWDZBQOSA-N 1 3 317.477 2.297 20 10 DECDHO CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)c([O-])c1 ZINC001236079336 1084606306 /nfs/dbraw/zinc/60/63/06/1084606306.db2.gz RLIOFYLFSLKXHM-KRWDZBQOSA-N 1 3 317.477 2.297 20 10 DECDHO C[NH+](C)CCN(Cc1ccc(Cl)cc1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236934337 1138460547 /nfs/dbraw/zinc/46/05/47/1138460547.db2.gz VVCJFXHYYLAEJF-OAHLLOKOSA-N 1 3 311.857 2.161 20 10 DECDHO C[NH+](C)CCN(Cc1c([O-])cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC001236933328 1138460847 /nfs/dbraw/zinc/46/08/47/1138460847.db2.gz RDHRVFDCHJHMAE-ZDUSSCGKSA-N 1 3 311.857 2.161 20 10 DECDHO C[C@@H]1CC[C@H](NC2CC[NH+](Cc3ccccc3[O-])CC2)C[NH2+]1 ZINC001246358798 1140888066 /nfs/dbraw/zinc/88/80/66/1140888066.db2.gz IYAJFBMSFACQSL-PBHICJAKSA-N 1 3 303.450 2.087 20 10 DECDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000151064147 402013952 /nfs/dbraw/zinc/01/39/52/402013952.db2.gz HEFOAAPBRXKJCQ-MDZRGWNJSA-N 1 3 317.477 2.342 20 10 DECDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000151064147 402013955 /nfs/dbraw/zinc/01/39/55/402013955.db2.gz HEFOAAPBRXKJCQ-MDZRGWNJSA-N 1 3 317.477 2.342 20 10 DECDHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000269069514 280933578 /nfs/dbraw/zinc/93/35/78/280933578.db2.gz WRQNPISWFCUDAJ-KRWDZBQOSA-N 1 3 305.466 2.250 20 10 DECDHO Cc1cccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000367754798 524404716 /nfs/dbraw/zinc/40/47/16/524404716.db2.gz RDPXHSRCJRBROG-BRWVUGGUSA-N 1 3 304.434 2.384 20 10 DECDHO CCN1CCN(c2ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc2F)CC1 ZINC000817902069 647377188 /nfs/dbraw/zinc/37/71/88/647377188.db2.gz HRUFYMAAMYDCQB-CABCVRRESA-N 1 3 322.472 2.183 20 10 DECDHO [NH3+][C@H]1CCC[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000848716618 651495906 /nfs/dbraw/zinc/49/59/06/651495906.db2.gz FOKFBHCCIDOTSF-ROUUACIJSA-N 1 3 317.477 2.255 20 10 DECDHO [O-]c1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850357629 651910402 /nfs/dbraw/zinc/91/04/02/651910402.db2.gz QAZYGZUMSORLGS-GOSISDBHSA-N 1 3 312.413 2.249 20 10 DECDHO [O-]c1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357629 651910407 /nfs/dbraw/zinc/91/04/07/651910407.db2.gz QAZYGZUMSORLGS-GOSISDBHSA-N 1 3 312.413 2.249 20 10 DECDHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230382 652661701 /nfs/dbraw/zinc/66/17/01/652661701.db2.gz OBMLJXIYCMQUAM-HNAYVOBHSA-N 1 3 317.477 2.125 20 10 DECDHO Cc1cccc([O-])c1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000876992277 689992726 /nfs/dbraw/zinc/99/27/26/689992726.db2.gz REAIQQYJOCQPHO-UHFFFAOYSA-N 1 3 317.477 2.349 20 10 DECDHO Cc1ccc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c([O-])c1 ZINC000925842573 693351320 /nfs/dbraw/zinc/35/13/20/693351320.db2.gz APOMOWZNHZDZGQ-MRXNPFEDSA-N 1 3 305.466 2.427 20 10 DECDHO COc1cc(CN2CCC[C@@]23CCOC3)cc(C[NH+](C)C)c1O ZINC001139258813 796349788 /nfs/dbraw/zinc/34/97/88/796349788.db2.gz XCPCVGYKDFGLQO-SFHVURJKSA-N 1 3 320.433 2.217 20 10 DECDHO COc1cc(CN2CC[C@@H](OC(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139258915 796350967 /nfs/dbraw/zinc/35/09/67/796350967.db2.gz AMFLWIZWJVFHKA-MRXNPFEDSA-N 1 3 322.449 2.462 20 10 DECDHO CC[NH+](CC)CCN1CCN(Cc2c(C)ccc(C)c2O)CC1 ZINC001140179240 796486553 /nfs/dbraw/zinc/48/65/53/796486553.db2.gz CUXFZKRHYFHDNK-UHFFFAOYSA-N 1 3 319.493 2.468 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCC[C@H]43)cc2)CC1 ZINC001140302612 796503982 /nfs/dbraw/zinc/50/39/82/796503982.db2.gz VMMPTLDXCSVNIF-RTBURBONSA-N 1 3 315.461 2.192 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H]4OCC[C@H]43)cc2)CC1 ZINC001140302612 796503984 /nfs/dbraw/zinc/50/39/84/796503984.db2.gz VMMPTLDXCSVNIF-RTBURBONSA-N 1 3 315.461 2.192 20 10 DECDHO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCCN3C)cc2)CC1 ZINC001474289293 1060843627 /nfs/dbraw/zinc/84/36/27/1060843627.db2.gz ULDYUDIRGDZKCC-LJQANCHMSA-N 1 3 316.493 2.012 20 10 DECDHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000185670958 402368620 /nfs/dbraw/zinc/36/86/20/402368620.db2.gz DYVHPLCDFQCIOS-HIFRSBDPSA-N 1 3 310.438 2.408 20 10 DECDHO COc1cc([O-])c(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC ZINC000278677321 402869604 /nfs/dbraw/zinc/86/96/04/402869604.db2.gz MAADVWFIAHRKRX-UHFFFAOYSA-N 1 3 320.433 2.373 20 10 DECDHO COc1ccc(C[NH2+]CC[C@H](C)N(C)C)cc1Cn1cccn1 ZINC000895290722 637894289 /nfs/dbraw/zinc/89/42/89/637894289.db2.gz SDCRLVGSPSOBTB-HNNXBMFYSA-N 1 3 316.449 2.370 20 10 DECDHO COc1ccc(N2CCC([NH2+][C@H]3CCN[C@H](C)C3)CC2)cc1 ZINC000841061822 650418726 /nfs/dbraw/zinc/41/87/26/650418726.db2.gz MWVJJPPPQGEXBD-ZBFHGGJFSA-N 1 3 303.450 2.394 20 10 DECDHO CN(C)c1ccc([C@@H](CN[C@H]2CC[NH2+]C23CCC3)N(C)C)cc1 ZINC000902516400 643062160 /nfs/dbraw/zinc/06/21/60/643062160.db2.gz DGLYKUPMPNQRIZ-MSOLQXFVSA-N 1 3 316.493 2.230 20 10 DECDHO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843046165 650876372 /nfs/dbraw/zinc/87/63/72/650876372.db2.gz PAKCEBLVVXIDPJ-QFBILLFUSA-N 1 3 316.493 2.140 20 10 DECDHO CC[N@@H+]1CC[C@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876944082 689978977 /nfs/dbraw/zinc/97/89/77/689978977.db2.gz XTPBTDCXHRYTNJ-QGZVFWFLSA-N 1 3 317.477 2.079 20 10 DECDHO CC[N@H+]1CC[C@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876944082 689978981 /nfs/dbraw/zinc/97/89/81/689978981.db2.gz XTPBTDCXHRYTNJ-QGZVFWFLSA-N 1 3 317.477 2.079 20 10 DECDHO Cc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c([O-])c1 ZINC000876991794 689992445 /nfs/dbraw/zinc/99/24/45/689992445.db2.gz FSPKICOKQUQJMX-UHFFFAOYSA-N 1 3 317.477 2.349 20 10 DECDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1[O-] ZINC000925817717 693347656 /nfs/dbraw/zinc/34/76/56/693347656.db2.gz VZDXAGNNWMFCEL-GFCCVEGCSA-N 1 3 311.857 2.428 20 10 DECDHO C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(F)cc1[O-] ZINC000925844922 693351824 /nfs/dbraw/zinc/35/18/24/693351824.db2.gz NMWMEBFSSGPBQI-CQSZACIVSA-N 1 3 309.429 2.257 20 10 DECDHO COc1cc(C[N@H+](C)C2CCOCC2)cc(C[NH+](C)C)c1[O-] ZINC001139253126 796349461 /nfs/dbraw/zinc/34/94/61/796349461.db2.gz MVIGBGGHPHXCPS-UHFFFAOYSA-N 1 3 308.422 2.073 20 10 DECDHO COc1cc(C[N@@H+](C)C2CCOCC2)cc(C[NH+](C)C)c1[O-] ZINC001139253126 796349465 /nfs/dbraw/zinc/34/94/65/796349465.db2.gz MVIGBGGHPHXCPS-UHFFFAOYSA-N 1 3 308.422 2.073 20 10 DECDHO CN1C[C@@H]2C[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]2C1 ZINC001141078104 796633135 /nfs/dbraw/zinc/63/31/35/796633135.db2.gz LBMOBQJKDNVEMV-KDURUIRLSA-N 1 3 311.473 2.379 20 10 DECDHO CN1C[C@@H]2C[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]2C1 ZINC001141078104 796633137 /nfs/dbraw/zinc/63/31/37/796633137.db2.gz LBMOBQJKDNVEMV-KDURUIRLSA-N 1 3 311.473 2.379 20 10 DECDHO C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@H]1C[NH3+] ZINC001205150548 800305690 /nfs/dbraw/zinc/30/56/90/800305690.db2.gz FEKSWEPMORZRGO-CMPLNLGQSA-N 1 3 318.339 2.360 20 10 DECDHO C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C[C@H]1C[NH3+] ZINC001205150548 800305694 /nfs/dbraw/zinc/30/56/94/800305694.db2.gz FEKSWEPMORZRGO-CMPLNLGQSA-N 1 3 318.339 2.360 20 10 DECDHO COc1cc(N(C)C)ccc1CN1CCC2(C[NH+](C)C2)CC1 ZINC001231854989 801738583 /nfs/dbraw/zinc/73/85/83/801738583.db2.gz NLGPFOBXGNIRBW-UHFFFAOYSA-N 1 3 303.450 2.289 20 10 DECDHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001655725061 1080015123 /nfs/dbraw/zinc/01/51/23/1080015123.db2.gz NTYLBJOZMQYTFB-PKOBYXMFSA-N 1 3 317.477 2.486 20 10 DECDHO CCN1CCN(c2ccc(CN3CC[NH2+]CC3(C)C)cc2)CC1 ZINC001235826249 1084540797 /nfs/dbraw/zinc/54/07/97/1084540797.db2.gz XNYDUOJQMCSNOY-UHFFFAOYSA-N 1 3 316.493 2.012 20 10 DECDHO CCN1CCN(c2ccc(CN3C[C@H](C)[NH2+]C[C@@H]3C)cc2)CC1 ZINC001236075200 1084604470 /nfs/dbraw/zinc/60/44/70/1084604470.db2.gz ZPSVKJBBNAVHMM-IRXDYDNUSA-N 1 3 316.493 2.011 20 10 DECDHO C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(F)ccc1[O-] ZINC000185353371 402346680 /nfs/dbraw/zinc/34/66/80/402346680.db2.gz ZSFCHAMQUQSNRI-AWEZNQCLSA-N 1 3 323.456 2.456 20 10 DECDHO C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(F)ccc1[O-] ZINC000185353371 402346681 /nfs/dbraw/zinc/34/66/81/402346681.db2.gz ZSFCHAMQUQSNRI-AWEZNQCLSA-N 1 3 323.456 2.456 20 10 DECDHO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282419809 403152171 /nfs/dbraw/zinc/15/21/71/403152171.db2.gz SOWDAVLVVKSKFN-OAHLLOKOSA-N 1 3 305.466 2.377 20 10 DECDHO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)cc1OC ZINC000293692126 403538988 /nfs/dbraw/zinc/53/89/88/403538988.db2.gz QSYJMSARUTULBM-SFHVURJKSA-N 1 3 320.433 2.327 20 10 DECDHO COc1cc(O)c(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)cc1OC ZINC000293692126 403538991 /nfs/dbraw/zinc/53/89/91/403538991.db2.gz QSYJMSARUTULBM-SFHVURJKSA-N 1 3 320.433 2.327 20 10 DECDHO C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1[O-] ZINC000367798969 290017747 /nfs/dbraw/zinc/01/77/47/290017747.db2.gz CHNKWURPYVAAGY-LSDHHAIUSA-N 1 3 303.450 2.211 20 10 DECDHO [O-]c1cccc2c1[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)CC2 ZINC000925842687 635923017 /nfs/dbraw/zinc/92/30/17/635923017.db2.gz BMSAIQJYSOLOBM-INIZCTEOSA-N 1 3 303.450 2.045 20 10 DECDHO COc1ccc(N2CCC(N[C@H]3CCC[NH2+][C@@H]3C)CC2)cc1 ZINC000841063137 650418695 /nfs/dbraw/zinc/41/86/95/650418695.db2.gz ILTPUYXBORIGQY-KDOFPFPSSA-N 1 3 303.450 2.394 20 10 DECDHO CN(C)c1ccc([C@H](CNc2ccnc(CO)c2)[NH+](C)C)cc1 ZINC000897521174 640537102 /nfs/dbraw/zinc/53/71/02/640537102.db2.gz DSBXGTMHZCOTPU-SFHVURJKSA-N 1 3 314.433 2.355 20 10 DECDHO CCOc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c([O-])c1 ZINC000904391465 643652579 /nfs/dbraw/zinc/65/25/79/643652579.db2.gz GNXMUQXPGIFGLS-INIZCTEOSA-N 1 3 320.433 2.121 20 10 DECDHO CCN(CC)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000817888596 647371709 /nfs/dbraw/zinc/37/17/09/647371709.db2.gz MWEYBGXHTXOLCX-ZTFGCOKTSA-N 1 3 305.466 2.375 20 10 DECDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895846 647375029 /nfs/dbraw/zinc/37/50/29/647375029.db2.gz WYAVZSYGXCEIJN-OLZOCXBDSA-N 1 3 309.429 2.002 20 10 DECDHO Cc1cc(N(C)C)ccc1C[C@@H](C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000863558076 686522003 /nfs/dbraw/zinc/52/20/03/686522003.db2.gz VMDMBCBRVXUKDF-VQIMIIECSA-N 1 3 319.493 2.038 20 10 DECDHO Oc1cc(O)c(CN2CCC([NH+]3CCC(F)CC3)CC2)c(O)c1 ZINC001144514894 790942433 /nfs/dbraw/zinc/94/24/33/790942433.db2.gz WVDPLSSYKWNCOD-UHFFFAOYSA-N 1 3 324.396 2.202 20 10 DECDHO COc1cc(O)c(CN2CCCC[C@@](C)(C[NH3+])C2)cc1OC ZINC001206573536 788183570 /nfs/dbraw/zinc/18/35/70/788183570.db2.gz MZVDNZVMJOCGRK-KRWDZBQOSA-N 1 3 308.422 2.360 20 10 DECDHO Cc1c(CN2CCN(CC[NH+](C)C)CC2)c2ccccc2n1C ZINC001138252398 796188553 /nfs/dbraw/zinc/18/85/53/796188553.db2.gz FOJPMOMIRPSBEO-UHFFFAOYSA-N 1 3 314.477 2.166 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@@H](C)C[C@H]3CO)cc2)CC1 ZINC001140302703 796503399 /nfs/dbraw/zinc/50/33/99/796503399.db2.gz YGPVHBOKEBCACO-LPHOPBHVSA-N 1 3 317.477 2.031 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3C[C@@H](C)C[C@H]3CO)cc2)CC1 ZINC001140302703 796503403 /nfs/dbraw/zinc/50/34/03/796503403.db2.gz YGPVHBOKEBCACO-LPHOPBHVSA-N 1 3 317.477 2.031 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@@H](O)C3)cc2)CC1 ZINC001140302356 796503968 /nfs/dbraw/zinc/50/39/68/796503968.db2.gz PFFYRYXMYKYBEU-APWZRJJASA-N 1 3 317.477 2.031 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@@H](O)C3)cc2)CC1 ZINC001140302356 796503971 /nfs/dbraw/zinc/50/39/71/796503971.db2.gz PFFYRYXMYKYBEU-APWZRJJASA-N 1 3 317.477 2.031 20 10 DECDHO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@](O)(CN)C2)c1O ZINC001205683346 800401354 /nfs/dbraw/zinc/40/13/54/800401354.db2.gz YSGAVJIQMNELKO-SFHVURJKSA-N 1 3 306.450 2.365 20 10 DECDHO CC(C)(C)c1cccc(C[N@H+]2CCCC[C@](O)(CN)C2)c1O ZINC001205683346 800401355 /nfs/dbraw/zinc/40/13/55/800401355.db2.gz YSGAVJIQMNELKO-SFHVURJKSA-N 1 3 306.450 2.365 20 10 DECDHO COc1ccc(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)c(O)c1OC ZINC001342961993 1150636555 /nfs/dbraw/zinc/63/65/55/1150636555.db2.gz WLSCPDLAEHNSMM-UONOGXRCSA-N 1 3 308.422 2.372 20 10 DECDHO CCN1CCN(c2ccc(O[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC001234657247 1084189055 /nfs/dbraw/zinc/18/90/55/1084189055.db2.gz CUDKZUBTPSPLSG-SFHVURJKSA-N 1 3 303.450 2.302 20 10 DECDHO CCN1CCN(c2ccc(O[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC001234657247 1084189058 /nfs/dbraw/zinc/18/90/58/1084189058.db2.gz CUDKZUBTPSPLSG-SFHVURJKSA-N 1 3 303.450 2.302 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H]3C[NH+]4CCC3CC4)cc2)CC1 ZINC001234658270 1084189991 /nfs/dbraw/zinc/18/99/91/1084189991.db2.gz ZAYAZHCZHPTCTA-LJQANCHMSA-N 1 3 315.461 2.302 20 10 DECDHO C[NH2+]C[C@H](C)CNCc1cc(Br)cc(OC)c1O ZINC001326074004 1148036791 /nfs/dbraw/zinc/03/67/91/1148036791.db2.gz COXVYNKLXSNJMQ-VIFPVBQESA-N 1 3 317.227 2.108 20 10 DECDHO [O-]c1cccc2c1[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000297731279 404606097 /nfs/dbraw/zinc/60/60/97/404606097.db2.gz NPKKVOOLBQIUKP-HOTGVXAUSA-N 1 3 304.434 2.206 20 10 DECDHO [O-]c1cccc2c1[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CC2 ZINC000297731279 404606105 /nfs/dbraw/zinc/60/61/05/404606105.db2.gz NPKKVOOLBQIUKP-HOTGVXAUSA-N 1 3 304.434 2.206 20 10 DECDHO COc1cc(Br)cc(C[NH2+][C@H](C)CCC[NH3+])c1[O-] ZINC000841078968 650423973 /nfs/dbraw/zinc/42/39/73/650423973.db2.gz GDDMQTAIXZPZNL-SECBINFHSA-N 1 3 317.227 2.380 20 10 DECDHO C[C@@H]1C[NH2+]C[C@H]1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000903426826 643345752 /nfs/dbraw/zinc/34/57/52/643345752.db2.gz OZSYJQIZTSBQCW-HYVNUMGLSA-N 1 3 304.434 2.229 20 10 DECDHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(N2CCOCC2)cc1 ZINC000843054343 650878657 /nfs/dbraw/zinc/87/86/57/650878657.db2.gz VPOBUELMPZIDDW-JLYLLQBASA-N 1 3 315.461 2.367 20 10 DECDHO COc1cc(O)c(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1OC ZINC000817866070 647369441 /nfs/dbraw/zinc/36/94/41/647369441.db2.gz VXJKTAGGOUZGRL-BZPMIXESSA-N 1 3 308.422 2.215 20 10 DECDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000817894557 647373399 /nfs/dbraw/zinc/37/33/99/647373399.db2.gz MLIXDMIZARINDL-QAPCUYQASA-N 1 3 303.450 2.001 20 10 DECDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000185021925 649423759 /nfs/dbraw/zinc/42/37/59/649423759.db2.gz NEPYFOJPXSGWDF-LSDHHAIUSA-N 1 3 321.465 2.077 20 10 DECDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[O-])C1 ZINC000844911235 651182259 /nfs/dbraw/zinc/18/22/59/651182259.db2.gz MLVGAEVJZQFVPK-BFYDXBDKSA-N 1 3 308.397 2.392 20 10 DECDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2[O-])C1 ZINC000844911235 651182262 /nfs/dbraw/zinc/18/22/62/651182262.db2.gz MLVGAEVJZQFVPK-BFYDXBDKSA-N 1 3 308.397 2.392 20 10 DECDHO [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873290915 689203935 /nfs/dbraw/zinc/20/39/35/689203935.db2.gz CBYWWHCNAATRKV-LSDHHAIUSA-N 1 3 302.418 2.128 20 10 DECDHO CN(C)CCN(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000876741810 689923695 /nfs/dbraw/zinc/92/36/95/689923695.db2.gz SXORLTRKLMWGFE-SNGWPZLWSA-N 1 3 301.434 2.137 20 10 DECDHO Cc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(O)c1 ZINC000876810934 689943966 /nfs/dbraw/zinc/94/39/66/689943966.db2.gz FGQFEIZJPTUECE-SOLBZPMBSA-N 1 3 304.434 2.384 20 10 DECDHO COc1cc(CN2CCCC[C@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139253171 796349111 /nfs/dbraw/zinc/34/91/11/796349111.db2.gz ONPJWHIKZBGISR-SFHVURJKSA-N 1 3 322.449 2.199 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+](C)[C@H]3CCOC3)cc2)CC1 ZINC001140304468 796503745 /nfs/dbraw/zinc/50/37/45/796503745.db2.gz QYFSQBFBGKTYAI-SFHVURJKSA-N 1 3 303.450 2.049 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+](C)[C@H]3CCOC3)cc2)CC1 ZINC001140304468 796503749 /nfs/dbraw/zinc/50/37/49/796503749.db2.gz QYFSQBFBGKTYAI-SFHVURJKSA-N 1 3 303.450 2.049 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+](C)[C@@H]3CCCOC3)cc2)CC1 ZINC001140309914 796504955 /nfs/dbraw/zinc/50/49/55/796504955.db2.gz ZSKVDXARBAYEFP-LJQANCHMSA-N 1 3 317.477 2.439 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCCOC3)cc2)CC1 ZINC001140309914 796504958 /nfs/dbraw/zinc/50/49/58/796504958.db2.gz ZSKVDXARBAYEFP-LJQANCHMSA-N 1 3 317.477 2.439 20 10 DECDHO COc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)cc(O)c1O ZINC001204348233 800207396 /nfs/dbraw/zinc/20/73/96/800207396.db2.gz AEBDWSNENZJTAU-UHFFFAOYSA-N 1 3 320.433 2.414 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H]3CCC[NH2+]C[C@@H]3F)cc2)CC1 ZINC001217953593 802123124 /nfs/dbraw/zinc/12/31/24/802123124.db2.gz VOGUFCDHGFENFL-ZWKOTPCHSA-N 1 3 321.440 2.297 20 10 DECDHO CCN1CCN(c2ccc(O[C@H]3C[NH2+]CCC34CC4)cc2)CC1 ZINC001218406713 802179281 /nfs/dbraw/zinc/17/92/81/802179281.db2.gz YECXFXHDXUNLBN-SFHVURJKSA-N 1 3 315.461 2.349 20 10 DECDHO CN1CCC[C@]2(CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516959 1083477203 /nfs/dbraw/zinc/47/72/03/1083477203.db2.gz XLHAKVFYHKUHJH-KRWDZBQOSA-N 1 3 306.406 2.111 20 10 DECDHO CN1CCC[C@]2(CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516959 1083477210 /nfs/dbraw/zinc/47/72/10/1083477210.db2.gz XLHAKVFYHKUHJH-KRWDZBQOSA-N 1 3 306.406 2.111 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC001234657243 1084189282 /nfs/dbraw/zinc/18/92/82/1084189282.db2.gz CUDKZUBTPSPLSG-GOSISDBHSA-N 1 3 303.450 2.302 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC001234657243 1084189286 /nfs/dbraw/zinc/18/92/86/1084189286.db2.gz CUDKZUBTPSPLSG-GOSISDBHSA-N 1 3 303.450 2.302 20 10 DECDHO Cc1cccc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1O ZINC001256684026 1143862086 /nfs/dbraw/zinc/86/20/86/1143862086.db2.gz LVINRBNUBAPBQN-UHFFFAOYSA-N 1 3 304.434 2.434 20 10 DECDHO C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756606149 639679099 /nfs/dbraw/zinc/67/90/99/639679099.db2.gz VUACRQCYWJWDPQ-WCQYABFASA-N 1 3 308.397 2.126 20 10 DECDHO CC(C)C[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NCC[NH+](C)C ZINC000783527952 643014326 /nfs/dbraw/zinc/01/43/26/643014326.db2.gz KAFAMNFAHHXCLV-ZBFHGGJFSA-N 1 3 321.465 2.135 20 10 DECDHO CN(C)c1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1F ZINC000903954523 643529389 /nfs/dbraw/zinc/52/93/89/643529389.db2.gz DIYHRJMMJFQOES-GFCCVEGCSA-N 1 3 301.356 2.226 20 10 DECDHO Cc1ccc(O)c(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000809734369 646270731 /nfs/dbraw/zinc/27/07/31/646270731.db2.gz DZTPRVYSEGWAKE-UHFFFAOYSA-N 1 3 305.466 2.158 20 10 DECDHO Cc1ccc(O)c(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000809734369 646270733 /nfs/dbraw/zinc/27/07/33/646270733.db2.gz DZTPRVYSEGWAKE-UHFFFAOYSA-N 1 3 305.466 2.158 20 10 DECDHO C[C@@H]([NH2+]C[C@H]1CNCCCO1)c1cc2c(cc1O)CCCC2 ZINC000817981803 647399499 /nfs/dbraw/zinc/39/94/99/647399499.db2.gz NYJVEXXZBLFNSK-CZUORRHYSA-N 1 3 304.434 2.300 20 10 DECDHO C[C@@H](CC[NH+](C)C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000827662252 649063643 /nfs/dbraw/zinc/06/36/43/649063643.db2.gz PJDBXQNQMILWME-HNNXBMFYSA-N 1 3 305.466 2.078 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@H](O)C3)cc2)CC1 ZINC001140302357 796503922 /nfs/dbraw/zinc/50/39/22/796503922.db2.gz PFFYRYXMYKYBEU-VQIMIIECSA-N 1 3 317.477 2.031 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@H](O)C3)cc2)CC1 ZINC001140302357 796503924 /nfs/dbraw/zinc/50/39/24/796503924.db2.gz PFFYRYXMYKYBEU-VQIMIIECSA-N 1 3 317.477 2.031 20 10 DECDHO CCN1CCN(c2ccc(O[C@H]3C[NH2+]CCC[C@@H]3F)cc2)CC1 ZINC001217983588 802127423 /nfs/dbraw/zinc/12/74/23/802127423.db2.gz KHLAJWOIOLCDIH-ROUUACIJSA-N 1 3 321.440 2.297 20 10 DECDHO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](CN)C(C)C)C2)cc1 ZINC001579224495 1067263855 /nfs/dbraw/zinc/26/38/55/1067263855.db2.gz LQOAZRUWKIGDGW-HZPDHXFCSA-N 1 3 305.466 2.342 20 10 DECDHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000185670921 402368913 /nfs/dbraw/zinc/36/89/13/402368913.db2.gz DYVHPLCDFQCIOS-ZFWWWQNUSA-N 1 3 310.438 2.408 20 10 DECDHO [O-]c1cc2c(cc1C[NH2+]CC1CC[NH+](C3CC3)CC1)OCO2 ZINC000278104271 402855878 /nfs/dbraw/zinc/85/58/78/402855878.db2.gz ALRINYBMLTZIBG-UHFFFAOYSA-N 1 3 304.390 2.085 20 10 DECDHO Cc1cc(O)c(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1C ZINC000282334366 403144249 /nfs/dbraw/zinc/14/42/49/403144249.db2.gz LTCQWTUBPLIFNG-UHFFFAOYSA-N 1 3 305.466 2.125 20 10 DECDHO [O-]c1cccc2c1[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)CC2 ZINC000925842689 635923150 /nfs/dbraw/zinc/92/31/50/635923150.db2.gz BMSAIQJYSOLOBM-MRXNPFEDSA-N 1 3 303.450 2.045 20 10 DECDHO CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725649 643440900 /nfs/dbraw/zinc/44/09/00/643440900.db2.gz FGDCNUKIKVFTQT-AEFFLSMTSA-N 1 3 304.434 2.373 20 10 DECDHO CCC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725649 643440905 /nfs/dbraw/zinc/44/09/05/643440905.db2.gz FGDCNUKIKVFTQT-AEFFLSMTSA-N 1 3 304.434 2.373 20 10 DECDHO COc1ccc(N2CCC([NH2+]C[C@H](C)CN(C)C)CC2)cc1 ZINC000813784452 646808478 /nfs/dbraw/zinc/80/84/78/646808478.db2.gz DLYAUIJBLWXKKG-HNNXBMFYSA-N 1 3 305.466 2.451 20 10 DECDHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000848717303 651497277 /nfs/dbraw/zinc/49/72/77/651497277.db2.gz QURVFIPTJLZWOH-HUUCEWRRSA-N 1 3 321.440 2.146 20 10 DECDHO C[C@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1C ZINC000850565783 651953605 /nfs/dbraw/zinc/95/36/05/651953605.db2.gz HZZVGDAOSQHREQ-DOTOQJQBSA-N 1 3 317.477 2.220 20 10 DECDHO C[C@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1C ZINC000850565783 651953610 /nfs/dbraw/zinc/95/36/10/651953610.db2.gz HZZVGDAOSQHREQ-DOTOQJQBSA-N 1 3 317.477 2.220 20 10 DECDHO [NH3+]CC[C@H]1CN(C(=O)c2cccc3c2CCNC3)c2ccccc21 ZINC001122194204 795735087 /nfs/dbraw/zinc/73/50/87/795735087.db2.gz PQZORQJYPHETCH-HNNXBMFYSA-N 1 3 321.424 2.425 20 10 DECDHO COc1cc(CN2CCC[C@@H](CCO)C2)cc(C[NH+](C)C)c1O ZINC001139258184 796350209 /nfs/dbraw/zinc/35/02/09/796350209.db2.gz MLTNWQLKINJMGT-AWEZNQCLSA-N 1 3 322.449 2.057 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H]3COC)cc2)CC1 ZINC001140309702 796505068 /nfs/dbraw/zinc/50/50/68/796505068.db2.gz RGYFLSPZWLNWKQ-GOSISDBHSA-N 1 3 303.450 2.049 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H]3COC)cc2)CC1 ZINC001140309702 796505070 /nfs/dbraw/zinc/50/50/70/796505070.db2.gz RGYFLSPZWLNWKQ-GOSISDBHSA-N 1 3 303.450 2.049 20 10 DECDHO COc1ccc(N2CC[NH+](C[C@H]3CCCN(C)C3)CC2)c(C)c1 ZINC001208617109 801035755 /nfs/dbraw/zinc/03/57/55/801035755.db2.gz MHKZOMGLKYBOJU-KRWDZBQOSA-N 1 3 317.477 2.467 20 10 DECDHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001576116892 1066497542 /nfs/dbraw/zinc/49/75/42/1066497542.db2.gz BNCGLWWZNZBTES-RDJZCZTQSA-N 1 3 317.477 2.207 20 10 DECDHO Cc1cc(N(C)C)ccc1CN1CCOC2(CC[NH2+]CC2)C1 ZINC001579617025 1067386478 /nfs/dbraw/zinc/38/64/78/1067386478.db2.gz KDCGJWSXBPCVPZ-UHFFFAOYSA-N 1 3 303.450 2.015 20 10 DECDHO C[NH+](C)CCCOc1cnccc1CNCc1ccccc1O ZINC000288715682 131336184 /nfs/dbraw/zinc/33/61/84/131336184.db2.gz ZPBUSXVSIBZEKA-UHFFFAOYSA-N 1 3 315.417 2.408 20 10 DECDHO CN1CCC[C@H]1CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000271355523 402861787 /nfs/dbraw/zinc/86/17/87/402861787.db2.gz ZDLVOYJYOANBMB-SFHVURJKSA-N 1 3 317.477 2.439 20 10 DECDHO CN1CCC[C@H]1CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000271355523 402861788 /nfs/dbraw/zinc/86/17/88/402861788.db2.gz ZDLVOYJYOANBMB-SFHVURJKSA-N 1 3 317.477 2.439 20 10 DECDHO c1cc(N2CCOCC2)ccc1CNC1CC[NH+](C2CC2)CC1 ZINC000073381022 633100941 /nfs/dbraw/zinc/10/09/41/633100941.db2.gz LBEWFTVJQZLUSV-UHFFFAOYSA-N 1 3 315.461 2.240 20 10 DECDHO CN(C)c1ccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000902518702 643063675 /nfs/dbraw/zinc/06/36/75/643063675.db2.gz TZYVUBSEGGPZAM-RYRKJORJSA-N 1 3 304.482 2.215 20 10 DECDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000817900960 647377440 /nfs/dbraw/zinc/37/74/40/647377440.db2.gz XADQKIWZYPVIQV-WBAXXEDZSA-N 1 3 303.450 2.129 20 10 DECDHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965482 647395655 /nfs/dbraw/zinc/39/56/55/647395655.db2.gz RMBMMXNUDQVWEW-MLGOLLRUSA-N 1 3 307.413 2.050 20 10 DECDHO C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(F)ccc1[O-] ZINC000185367471 649511368 /nfs/dbraw/zinc/51/13/68/649511368.db2.gz LWRIKPBOOOAYCF-AWEZNQCLSA-N 1 3 309.429 2.210 20 10 DECDHO C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)ccc1[O-] ZINC000185367471 649511370 /nfs/dbraw/zinc/51/13/70/649511370.db2.gz LWRIKPBOOOAYCF-AWEZNQCLSA-N 1 3 309.429 2.210 20 10 DECDHO Cc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(O)c1 ZINC000876810937 689943876 /nfs/dbraw/zinc/94/38/76/689943876.db2.gz FGQFEIZJPTUECE-XYJFISCASA-N 1 3 304.434 2.384 20 10 DECDHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001169081603 785036536 /nfs/dbraw/zinc/03/65/36/785036536.db2.gz UHDPOGLCPRIYCJ-GGPHIMKMSA-N 1 3 315.461 2.238 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCCOCC3)cc2)CC1 ZINC001140299611 796502607 /nfs/dbraw/zinc/50/26/07/796502607.db2.gz BTEGTLDXCTVISD-UHFFFAOYSA-N 1 3 303.450 2.051 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCCOCC3)cc2)CC1 ZINC001140299611 796502609 /nfs/dbraw/zinc/50/26/09/796502609.db2.gz BTEGTLDXCTVISD-UHFFFAOYSA-N 1 3 303.450 2.051 20 10 DECDHO Cc1cc(C)c(CN2CCN(CC[NH+]3CCCC3)CC2)c(O)c1 ZINC001231848572 801737391 /nfs/dbraw/zinc/73/73/91/801737391.db2.gz IRXQWDNXKWEVOC-UHFFFAOYSA-N 1 3 317.477 2.222 20 10 DECDHO CCN1CCN(c2ccc(O[C@H]3CCC[NH2+]C[C@H]3F)cc2)CC1 ZINC001217953580 802123102 /nfs/dbraw/zinc/12/31/02/802123102.db2.gz VOGUFCDHGFENFL-MSOLQXFVSA-N 1 3 321.440 2.297 20 10 DECDHO COc1cc(C)c(CN2CCOC3(CC[NH+](C)CC3)C2)c(O)c1 ZINC001621407338 1078174240 /nfs/dbraw/zinc/17/42/40/1078174240.db2.gz VLHYXAJWFAPMGM-UHFFFAOYSA-N 1 3 320.433 2.006 20 10 DECDHO C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)N(C)C1CC1 ZINC001620781821 1066727023 /nfs/dbraw/zinc/72/70/23/1066727023.db2.gz VIVGWICWBTUGKC-MRXNPFEDSA-N 1 3 316.493 2.011 20 10 DECDHO CCN1CCN(c2ccc(CN3C[C@@H](C)[NH2+][C@@H](C)C3)cc2)CC1 ZINC001235903305 1084560379 /nfs/dbraw/zinc/56/03/79/1084560379.db2.gz XXROAGFNWLCITE-CALCHBBNSA-N 1 3 316.493 2.011 20 10 DECDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000266145925 225336676 /nfs/dbraw/zinc/33/66/76/225336676.db2.gz IWIGJSKJOYBDGF-WBVHZDCISA-N 1 3 303.450 2.096 20 10 DECDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000266145925 225336680 /nfs/dbraw/zinc/33/66/80/225336680.db2.gz IWIGJSKJOYBDGF-WBVHZDCISA-N 1 3 303.450 2.096 20 10 DECDHO COc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1OC ZINC000892106262 624784159 /nfs/dbraw/zinc/78/41/59/624784159.db2.gz UYZLKERKFNYICO-GXTWGEPZSA-N 1 3 308.422 2.324 20 10 DECDHO COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1OC ZINC000892106262 624784160 /nfs/dbraw/zinc/78/41/60/624784160.db2.gz UYZLKERKFNYICO-GXTWGEPZSA-N 1 3 308.422 2.324 20 10 DECDHO [O-]c1ccccc1C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000842471186 650747680 /nfs/dbraw/zinc/74/76/80/650747680.db2.gz HQWKHLQSZVRTPI-WBVHZDCISA-N 1 3 304.434 2.373 20 10 DECDHO [O-]c1ccccc1C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000842471186 650747684 /nfs/dbraw/zinc/74/76/84/650747684.db2.gz HQWKHLQSZVRTPI-WBVHZDCISA-N 1 3 304.434 2.373 20 10 DECDHO COc1cc(Br)cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1[O-] ZINC000843128171 650902313 /nfs/dbraw/zinc/90/23/13/650902313.db2.gz IJEMNIOPPDPZBF-IUCAKERBSA-N 1 3 317.227 2.379 20 10 DECDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000185021891 649423524 /nfs/dbraw/zinc/42/35/24/649423524.db2.gz NEPYFOJPXSGWDF-GJZGRUSLSA-N 1 3 321.465 2.077 20 10 DECDHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230381 652661605 /nfs/dbraw/zinc/66/16/05/652661605.db2.gz OBMLJXIYCMQUAM-DNVCBOLYSA-N 1 3 317.477 2.125 20 10 DECDHO Cc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(O)c1 ZINC000876810931 689944318 /nfs/dbraw/zinc/94/43/18/689944318.db2.gz FGQFEIZJPTUECE-LZLYRXPVSA-N 1 3 304.434 2.384 20 10 DECDHO COc1cc(CN(C)[C@@H]2CCCOC2)cc(C[NH+](C)C)c1O ZINC001139260958 796350984 /nfs/dbraw/zinc/35/09/84/796350984.db2.gz QOHABPNTTIJHRL-OAHLLOKOSA-N 1 3 308.422 2.073 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(O)C3)cc2)CC1 ZINC001140304674 796503471 /nfs/dbraw/zinc/50/34/71/796503471.db2.gz XZJBGXIKFTUCTE-IBGZPJMESA-N 1 3 317.477 2.175 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@](C)(O)C3)cc2)CC1 ZINC001140304674 796503475 /nfs/dbraw/zinc/50/34/75/796503475.db2.gz XZJBGXIKFTUCTE-IBGZPJMESA-N 1 3 317.477 2.175 20 10 DECDHO CC(C)[NH+]1CCC(CN(C)Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233013400 802002132 /nfs/dbraw/zinc/00/21/32/802002132.db2.gz QGEXOTNVAACUTB-UHFFFAOYSA-N 1 3 308.422 2.356 20 10 DECDHO COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1[O-] ZINC001236321406 1138351887 /nfs/dbraw/zinc/35/18/87/1138351887.db2.gz QQGOCGBBTOUBPR-TXEJJXNPSA-N 1 3 310.825 2.486 20 10 DECDHO COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1[O-] ZINC001236321406 1138351891 /nfs/dbraw/zinc/35/18/91/1138351891.db2.gz QQGOCGBBTOUBPR-TXEJJXNPSA-N 1 3 310.825 2.486 20 10 DECDHO CCc1ccc(C[N@H+](CCCN(C)C)CCC(=O)OC)c(O)c1 ZINC001236788692 1138428324 /nfs/dbraw/zinc/42/83/24/1138428324.db2.gz NJTNZCWQTQSQIN-UHFFFAOYSA-N 1 3 322.449 2.271 20 10 DECDHO CCc1ccc(C[N@@H+](CCCN(C)C)CCC(=O)OC)c(O)c1 ZINC001236788692 1138428326 /nfs/dbraw/zinc/42/83/26/1138428326.db2.gz NJTNZCWQTQSQIN-UHFFFAOYSA-N 1 3 322.449 2.271 20 10 DECDHO CN1CCC([NH2+]C2CCN(Cc3ccccc3O)CC2)CC1 ZINC001256198639 1143834726 /nfs/dbraw/zinc/83/47/26/1143834726.db2.gz RASCRHZIYBYZNR-UHFFFAOYSA-N 1 3 303.450 2.040 20 10 DECDHO CN(C)CCN(C)CCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000289364868 131379086 /nfs/dbraw/zinc/37/90/86/131379086.db2.gz HSHQJGHWKWRMDW-UHFFFAOYSA-N 1 3 306.498 2.068 20 10 DECDHO CN(C)CCN(C)CCC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000289364868 131379087 /nfs/dbraw/zinc/37/90/87/131379087.db2.gz HSHQJGHWKWRMDW-UHFFFAOYSA-N 1 3 306.498 2.068 20 10 DECDHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185345877 402345669 /nfs/dbraw/zinc/34/56/69/402345669.db2.gz ODZIPFYXBRSKAE-HUUCEWRRSA-N 1 3 323.456 2.456 20 10 DECDHO C[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)c2c1c(F)ccc2[O-] ZINC000925811303 635508054 /nfs/dbraw/zinc/50/80/54/635508054.db2.gz HXMWKJAPOJGULZ-BXUZGUMPSA-N 1 3 307.413 2.092 20 10 DECDHO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@H]3CN)CC2)cc1 ZINC000841030921 650409477 /nfs/dbraw/zinc/40/94/77/650409477.db2.gz PCFAJFSNKWZXSL-KSSFIOAISA-N 1 3 303.450 2.381 20 10 DECDHO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843046164 650876557 /nfs/dbraw/zinc/87/65/57/650876557.db2.gz PAKCEBLVVXIDPJ-LPHOPBHVSA-N 1 3 316.493 2.140 20 10 DECDHO COc1ccc(N2CCC([NH2+]C[C@@H](C)CN(C)C)CC2)cc1 ZINC000813784453 646808994 /nfs/dbraw/zinc/80/89/94/646808994.db2.gz DLYAUIJBLWXKKG-OAHLLOKOSA-N 1 3 305.466 2.451 20 10 DECDHO CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1[O-] ZINC000155124143 648193054 /nfs/dbraw/zinc/19/30/54/648193054.db2.gz IYNGDCXNFHIJGU-KRWDZBQOSA-N 1 3 305.466 2.461 20 10 DECDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000185021907 649423722 /nfs/dbraw/zinc/42/37/22/649423722.db2.gz NEPYFOJPXSGWDF-CABCVRRESA-N 1 3 321.465 2.077 20 10 DECDHO COc1cc(CN2CC[C@@H](OC)C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139260154 796350846 /nfs/dbraw/zinc/35/08/46/796350846.db2.gz OSCPUBIKMYSZRF-XJKSGUPXSA-N 1 3 322.449 2.462 20 10 DECDHO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](CN)C(C)C)C2)cc1 ZINC001579224496 1067263794 /nfs/dbraw/zinc/26/37/94/1067263794.db2.gz LQOAZRUWKIGDGW-JKSUJKDBSA-N 1 3 305.466 2.342 20 10 DECDHO CCN(CC)c1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1F ZINC000077450268 355205713 /nfs/dbraw/zinc/20/57/13/355205713.db2.gz QAJQSAGPCJQOJM-UHFFFAOYSA-N 1 3 323.456 2.218 20 10 DECDHO Cc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c([O-])c1 ZINC000185367216 333207823 /nfs/dbraw/zinc/20/78/23/333207823.db2.gz QOTOEGXAVSIULT-INIZCTEOSA-N 1 3 305.466 2.379 20 10 DECDHO Cc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c([O-])c1 ZINC000185367216 333207825 /nfs/dbraw/zinc/20/78/25/333207825.db2.gz QOTOEGXAVSIULT-INIZCTEOSA-N 1 3 305.466 2.379 20 10 DECDHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000841058088 641499803 /nfs/dbraw/zinc/49/98/03/641499803.db2.gz PQXJCZMUNHPBLG-HUUCEWRRSA-N 1 3 307.413 2.022 20 10 DECDHO CN(C)c1ccc([C@H](CN[C@@H]2C[C@H]([NH3+])C23CCC3)N(C)C)cc1 ZINC000902518369 643062737 /nfs/dbraw/zinc/06/27/37/643062737.db2.gz PWJNKSUGFBQBCK-OKZBNKHCSA-N 1 3 316.493 2.215 20 10 DECDHO CCN1CCN(c2ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc2F)CC1 ZINC000817902071 647377031 /nfs/dbraw/zinc/37/70/31/647377031.db2.gz HRUFYMAAMYDCQB-HUUCEWRRSA-N 1 3 322.472 2.183 20 10 DECDHO c1cc(N2CCOCC2)ccc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071939945 649243857 /nfs/dbraw/zinc/24/38/57/649243857.db2.gz AJNKGKUHCWTEIB-KRWDZBQOSA-N 1 3 315.461 2.097 20 10 DECDHO c1cc(N2CCOCC2)ccc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071939945 649243860 /nfs/dbraw/zinc/24/38/60/649243860.db2.gz AJNKGKUHCWTEIB-KRWDZBQOSA-N 1 3 315.461 2.097 20 10 DECDHO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000071939945 649243862 /nfs/dbraw/zinc/24/38/62/649243862.db2.gz AJNKGKUHCWTEIB-KRWDZBQOSA-N 1 3 315.461 2.097 20 10 DECDHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000848716617 651495987 /nfs/dbraw/zinc/49/59/87/651495987.db2.gz FOKFBHCCIDOTSF-QZTJIDSGSA-N 1 3 317.477 2.255 20 10 DECDHO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CCCCN3)C2)cc1 ZINC000854217679 652658468 /nfs/dbraw/zinc/65/84/68/652658468.db2.gz OPLGFWJTGFLPQW-MPGHIAIKSA-N 1 3 303.450 2.394 20 10 DECDHO CN(C)c1ccc(CN(C)CCOCC[NH3+])c(C(F)(F)F)c1 ZINC000863652433 686540787 /nfs/dbraw/zinc/54/07/87/686540787.db2.gz RIADVIQRCGZGBX-UHFFFAOYSA-N 1 3 319.371 2.179 20 10 DECDHO CN1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)C1 ZINC001141145674 796639611 /nfs/dbraw/zinc/63/96/11/796639611.db2.gz XTXIJYPGKDXFKF-SFHVURJKSA-N 1 3 301.434 2.043 20 10 DECDHO CN1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)OCCN4C)C2)C1 ZINC001141145674 796639615 /nfs/dbraw/zinc/63/96/15/796639615.db2.gz XTXIJYPGKDXFKF-SFHVURJKSA-N 1 3 301.434 2.043 20 10 DECDHO [NH3+]CC1CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001205053611 800290861 /nfs/dbraw/zinc/29/08/61/800290861.db2.gz RFFRLMYAXYYACP-UHFFFAOYSA-N 1 3 304.312 2.462 20 10 DECDHO [NH3+]CC1CC[NH+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001205053611 800290863 /nfs/dbraw/zinc/29/08/63/800290863.db2.gz RFFRLMYAXYYACP-UHFFFAOYSA-N 1 3 304.312 2.462 20 10 DECDHO COc1ccc(CN[C@H]2CCC[C@H]([NH+](C)C)C2)c(O)c1OC ZINC001342961991 1150637096 /nfs/dbraw/zinc/63/70/96/1150637096.db2.gz WLSCPDLAEHNSMM-KBPBESRZSA-N 1 3 308.422 2.372 20 10 DECDHO COc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c([O-])c1 ZINC001276806305 1083622612 /nfs/dbraw/zinc/62/26/12/1083622612.db2.gz LLBAUTTWFBJOOF-GASCZTMLSA-N 1 3 304.434 2.483 20 10 DECDHO COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c([O-])c1 ZINC001276806305 1083622614 /nfs/dbraw/zinc/62/26/14/1083622614.db2.gz LLBAUTTWFBJOOF-GASCZTMLSA-N 1 3 304.434 2.483 20 10 DECDHO COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c([O-])c1 ZINC001276806305 1083622621 /nfs/dbraw/zinc/62/26/21/1083622621.db2.gz LLBAUTTWFBJOOF-GASCZTMLSA-N 1 3 304.434 2.483 20 10 DECDHO COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c([O-])c1 ZINC001276806305 1083622631 /nfs/dbraw/zinc/62/26/31/1083622631.db2.gz LLBAUTTWFBJOOF-GASCZTMLSA-N 1 3 304.434 2.483 20 10 DECDHO C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(F)ccc1[O-] ZINC000185353387 402346407 /nfs/dbraw/zinc/34/64/07/402346407.db2.gz ZSFCHAMQUQSNRI-CQSZACIVSA-N 1 3 323.456 2.456 20 10 DECDHO C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(F)ccc1[O-] ZINC000185353387 402346409 /nfs/dbraw/zinc/34/64/09/402346409.db2.gz ZSFCHAMQUQSNRI-CQSZACIVSA-N 1 3 323.456 2.456 20 10 DECDHO C[C@H](NCCC(C)(C)[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000925741449 634346039 /nfs/dbraw/zinc/34/60/39/634346039.db2.gz RGAMHCZNVWBHOG-ZDUSSCGKSA-N 1 3 309.429 2.440 20 10 DECDHO C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000756408494 639659972 /nfs/dbraw/zinc/65/99/72/639659972.db2.gz OZGLBMNVRWFNKT-CQSZACIVSA-N 1 3 309.429 2.210 20 10 DECDHO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCC[NH2+]1 ZINC000902517924 643062665 /nfs/dbraw/zinc/06/26/65/643062665.db2.gz OVGBMYKREQCOFT-BMGDILEWSA-N 1 3 304.482 2.085 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+](C)[C@H]3CCCOC3)cc2)CC1 ZINC001140309913 796504485 /nfs/dbraw/zinc/50/44/85/796504485.db2.gz ZSKVDXARBAYEFP-IBGZPJMESA-N 1 3 317.477 2.439 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+](C)[C@H]3CCCOC3)cc2)CC1 ZINC001140309913 796504489 /nfs/dbraw/zinc/50/44/89/796504489.db2.gz ZSKVDXARBAYEFP-IBGZPJMESA-N 1 3 317.477 2.439 20 10 DECDHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccc(C)cc1O ZINC001140949974 796606266 /nfs/dbraw/zinc/60/62/66/796606266.db2.gz PBAOXWMQTXFHEA-UHFFFAOYSA-N 1 3 308.422 2.017 20 10 DECDHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccc(C)cc1O ZINC001140949974 796606268 /nfs/dbraw/zinc/60/62/68/796606268.db2.gz PBAOXWMQTXFHEA-UHFFFAOYSA-N 1 3 308.422 2.017 20 10 DECDHO [NH3+]CC1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001205047448 800290213 /nfs/dbraw/zinc/29/02/13/800290213.db2.gz UFBXJAIUKYSFMJ-UHFFFAOYSA-N 1 3 323.868 2.347 20 10 DECDHO Cc1c(CN2CCCC[C@@](O)(C[NH3+])C2)c2ccccc2n1C ZINC001205673970 800400127 /nfs/dbraw/zinc/40/01/27/800400127.db2.gz WUXWLKCCECZVKT-GOSISDBHSA-N 1 3 301.434 2.162 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H]3CCC[NH2+]C[C@H]3F)cc2)CC1 ZINC001217953582 802124095 /nfs/dbraw/zinc/12/40/95/802124095.db2.gz VOGUFCDHGFENFL-QZTJIDSGSA-N 1 3 321.440 2.297 20 10 DECDHO CCN1CCN(c2ccc(O[C@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC001218482913 802190584 /nfs/dbraw/zinc/19/05/84/802190584.db2.gz GDQOTDFAVFGUDC-QAPCUYQASA-N 1 3 303.450 2.205 20 10 DECDHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(N)cc2)[C@H](C)C1 ZINC001578107872 1066986446 /nfs/dbraw/zinc/98/64/46/1066986446.db2.gz MCFGNQOIEPJENP-CRAIPNDOSA-N 1 3 305.466 2.495 20 10 DECDHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(N)cc2)[C@H](C)C1 ZINC001578107872 1066986458 /nfs/dbraw/zinc/98/64/58/1066986458.db2.gz MCFGNQOIEPJENP-CRAIPNDOSA-N 1 3 305.466 2.495 20 10 DECDHO Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@H](O)C[NH+]1CCCC1 ZINC001321022777 1141032196 /nfs/dbraw/zinc/03/21/96/1141032196.db2.gz IMVUGEJGJMAWNM-QLFBSQMISA-N 1 3 304.434 2.295 20 10 DECDHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000282161479 296125569 /nfs/dbraw/zinc/12/55/69/296125569.db2.gz DJYHTCGLBNFJNU-MRXNPFEDSA-N 1 3 318.509 2.429 20 10 DECDHO CCC[N@@H+]1CC[C@@H](CNCc2ccc(OC)c(OC)c2O)C1 ZINC000892668316 625255723 /nfs/dbraw/zinc/25/57/23/625255723.db2.gz KJVJVAXWAXYWLI-ZDUSSCGKSA-N 1 3 308.422 2.231 20 10 DECDHO CCC[N@H+]1CC[C@@H](CNCc2ccc(OC)c(OC)c2O)C1 ZINC000892668316 625255724 /nfs/dbraw/zinc/25/57/24/625255724.db2.gz KJVJVAXWAXYWLI-ZDUSSCGKSA-N 1 3 308.422 2.231 20 10 DECDHO C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000925764448 634766258 /nfs/dbraw/zinc/76/62/58/634766258.db2.gz YYUAEBVDJCJTJS-VQIMIIECSA-N 1 3 316.493 2.059 20 10 DECDHO CC(C)[N@@H+]1CC[C@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000320198125 637879171 /nfs/dbraw/zinc/87/91/71/637879171.db2.gz HHLANCBZVITKSL-GOSISDBHSA-N 1 3 317.477 2.343 20 10 DECDHO CC(C)[N@H+]1CC[C@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000320198125 637879177 /nfs/dbraw/zinc/87/91/77/637879177.db2.gz HHLANCBZVITKSL-GOSISDBHSA-N 1 3 317.477 2.343 20 10 DECDHO COc1ccc(N2CCC([NH2+][C@H]3CCNC[C@H]3C)CC2)cc1 ZINC000841065145 650419805 /nfs/dbraw/zinc/41/98/05/650419805.db2.gz YBXCMUJCHXKZKY-KDOFPFPSSA-N 1 3 303.450 2.252 20 10 DECDHO COc1cccc([O-])c1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000841099947 650430654 /nfs/dbraw/zinc/43/06/54/650430654.db2.gz QRNJUKYKZZWVNG-MAUKXSAKSA-N 1 3 320.433 2.119 20 10 DECDHO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000902517926 643062728 /nfs/dbraw/zinc/06/27/28/643062728.db2.gz OVGBMYKREQCOFT-JCGIZDLHSA-N 1 3 304.482 2.085 20 10 DECDHO CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725650 643441054 /nfs/dbraw/zinc/44/10/54/643441054.db2.gz FGDCNUKIKVFTQT-FUHWJXTLSA-N 1 3 304.434 2.373 20 10 DECDHO CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725650 643441057 /nfs/dbraw/zinc/44/10/57/643441057.db2.gz FGDCNUKIKVFTQT-FUHWJXTLSA-N 1 3 304.434 2.373 20 10 DECDHO C[C@@H](N)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045051 650875901 /nfs/dbraw/zinc/87/59/01/650875901.db2.gz HEYRCDBFXUDNMP-CRAIPNDOSA-N 1 3 303.450 2.225 20 10 DECDHO C[C@@H](N)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045051 650875904 /nfs/dbraw/zinc/87/59/04/650875904.db2.gz HEYRCDBFXUDNMP-CRAIPNDOSA-N 1 3 303.450 2.225 20 10 DECDHO C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817967490 647396058 /nfs/dbraw/zinc/39/60/58/647396058.db2.gz JMIDOYAWODKPIP-JKIFEVAISA-N 1 3 321.440 2.311 20 10 DECDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185022316 649423320 /nfs/dbraw/zinc/42/33/20/649423320.db2.gz DCSBAPCJKFEDKT-CVEARBPZSA-N 1 3 305.466 2.377 20 10 DECDHO COc1cc(O)c(CN2CCC[C@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000844902893 651180846 /nfs/dbraw/zinc/18/08/46/651180846.db2.gz WLQUCVWGOMTDLM-JSGCOSHPSA-N 1 3 308.422 2.359 20 10 DECDHO CN(C)c1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000848526484 651467481 /nfs/dbraw/zinc/46/74/81/651467481.db2.gz YVECQLNPNDSLAX-INIZCTEOSA-N 1 3 321.440 2.235 20 10 DECDHO CCc1cccc(C[NH2+]C[C@@H](C)N2CCN(CC)CC2)c1O ZINC000848893357 651548913 /nfs/dbraw/zinc/54/89/13/651548913.db2.gz VAGAKZZBEUEGAL-OAHLLOKOSA-N 1 3 305.466 2.070 20 10 DECDHO C[C@@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1C ZINC000850565786 651953575 /nfs/dbraw/zinc/95/35/75/651953575.db2.gz HZZVGDAOSQHREQ-NVXWUHKLSA-N 1 3 317.477 2.220 20 10 DECDHO C[C@@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1C ZINC000850565786 651953581 /nfs/dbraw/zinc/95/35/81/651953581.db2.gz HZZVGDAOSQHREQ-NVXWUHKLSA-N 1 3 317.477 2.220 20 10 DECDHO CC[N@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)C1CCOCC1 ZINC001139256825 796350267 /nfs/dbraw/zinc/35/02/67/796350267.db2.gz MBKVHGNXGPNRJP-UHFFFAOYSA-N 1 3 322.449 2.463 20 10 DECDHO CC[N@@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)C1CCOCC1 ZINC001139256825 796350273 /nfs/dbraw/zinc/35/02/73/796350273.db2.gz MBKVHGNXGPNRJP-UHFFFAOYSA-N 1 3 322.449 2.463 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](CO)C3)cc2)CC1 ZINC001140299564 796502773 /nfs/dbraw/zinc/50/27/73/796502773.db2.gz ACDXWGIKJASODJ-SFHVURJKSA-N 1 3 317.477 2.033 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](CO)C3)cc2)CC1 ZINC001140299564 796502774 /nfs/dbraw/zinc/50/27/74/796502774.db2.gz ACDXWGIKJASODJ-SFHVURJKSA-N 1 3 317.477 2.033 20 10 DECDHO COc1cc(CN2CCCC[C@@](C)(C[NH3+])C2)c(O)c(OC)c1 ZINC001206572531 800556511 /nfs/dbraw/zinc/55/65/11/800556511.db2.gz CHRNLKSRMDSVQL-KRWDZBQOSA-N 1 3 308.422 2.360 20 10 DECDHO COc1ccc(N2CC[NH+](C[C@@H]3CCCN(C)C3)CC2)c(C)c1 ZINC001208617110 801035946 /nfs/dbraw/zinc/03/59/46/801035946.db2.gz MHKZOMGLKYBOJU-QGZVFWFLSA-N 1 3 317.477 2.467 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H]3C[NH2+]CCC[C@@H]3F)cc2)CC1 ZINC001217983589 802127095 /nfs/dbraw/zinc/12/70/95/802127095.db2.gz KHLAJWOIOLCDIH-ZWKOTPCHSA-N 1 3 321.440 2.297 20 10 DECDHO C[C@H](CCNCc1ccc(N2CCN(C)CC2)c(F)c1)[NH+](C)C ZINC001331549592 1149526488 /nfs/dbraw/zinc/52/64/88/1149526488.db2.gz SAGTUMKDJNWISD-OAHLLOKOSA-N 1 3 322.472 2.007 20 10 DECDHO CC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001235769991 1084522740 /nfs/dbraw/zinc/52/27/40/1084522740.db2.gz AHJGMLOWMXSACB-GOSISDBHSA-N 1 3 316.493 2.012 20 10 DECDHO COc1cc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)c(O)cc1O ZINC001276091688 1091539165 /nfs/dbraw/zinc/53/91/65/1091539165.db2.gz XEHYVKNJVGGUSK-QGZVFWFLSA-N 1 3 306.406 2.024 20 10 DECDHO COc1cc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)c(O)cc1O ZINC001276091688 1091539175 /nfs/dbraw/zinc/53/91/75/1091539175.db2.gz XEHYVKNJVGGUSK-QGZVFWFLSA-N 1 3 306.406 2.024 20 10 DECDHO C[N@@H+]1CCC2(CN(Cc3cc(Br)ccc3[O-])C2)C1 ZINC001275275855 1091646239 /nfs/dbraw/zinc/64/62/39/1091646239.db2.gz RIAKJYUUBQFBNV-UHFFFAOYSA-N 1 3 311.223 2.292 20 10 DECDHO COc1cc([O-])c(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c(OC)c1 ZINC001276194136 1091677525 /nfs/dbraw/zinc/67/75/25/1091677525.db2.gz QOHUCNJIEWDOCV-UHFFFAOYSA-N 1 3 320.433 2.327 20 10 DECDHO COc1cc([O-])c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(OC)c1 ZINC001276194136 1091677530 /nfs/dbraw/zinc/67/75/30/1091677530.db2.gz QOHUCNJIEWDOCV-UHFFFAOYSA-N 1 3 320.433 2.327 20 10 DECDHO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)CC1 ZINC000270021833 403178777 /nfs/dbraw/zinc/17/87/77/403178777.db2.gz FODBXNFPLREFSL-CQSZACIVSA-N 1 3 318.417 2.285 20 10 DECDHO C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)CC1 ZINC000270021833 403178778 /nfs/dbraw/zinc/17/87/78/403178778.db2.gz FODBXNFPLREFSL-CQSZACIVSA-N 1 3 318.417 2.285 20 10 DECDHO Cc1cccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000367754799 524403598 /nfs/dbraw/zinc/40/35/98/524403598.db2.gz RDPXHSRCJRBROG-GVDBMIGSSA-N 1 3 304.434 2.384 20 10 DECDHO COc1ccc(N2CCC([NH2+][C@@H]3CCNC[C@H]3C)CC2)cc1 ZINC000841065147 650419722 /nfs/dbraw/zinc/41/97/22/650419722.db2.gz YBXCMUJCHXKZKY-RDTXWAMCSA-N 1 3 303.450 2.252 20 10 DECDHO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CNCC2(CCOCC2)C1 ZINC000903969703 643529814 /nfs/dbraw/zinc/52/98/14/643529814.db2.gz JKQQKAPTCREBIR-QGZVFWFLSA-N 1 3 317.477 2.309 20 10 DECDHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889381 647372002 /nfs/dbraw/zinc/37/20/02/647372002.db2.gz UFABPXVTKUBPAQ-IRXDYDNUSA-N 1 3 321.440 2.412 20 10 DECDHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817892851 647374119 /nfs/dbraw/zinc/37/41/19/647374119.db2.gz DCZWLLIHMRQKSR-RHSMWYFYSA-N 1 3 321.440 2.004 20 10 DECDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000185021946 649423716 /nfs/dbraw/zinc/42/37/16/649423716.db2.gz NEPYFOJPXSGWDF-HUUCEWRRSA-N 1 3 321.465 2.077 20 10 DECDHO C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)CC1 ZINC000834581862 649819105 /nfs/dbraw/zinc/81/91/05/649819105.db2.gz OCENHPAGRRAFNO-NVXWUHKLSA-N 1 3 315.461 2.138 20 10 DECDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846139924 651310604 /nfs/dbraw/zinc/31/06/04/651310604.db2.gz BPKMKSJVQFKCQX-GJZGRUSLSA-N 1 3 321.465 2.077 20 10 DECDHO [O-]c1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850357630 651910599 /nfs/dbraw/zinc/91/05/99/651910599.db2.gz QAZYGZUMSORLGS-SFHVURJKSA-N 1 3 312.413 2.249 20 10 DECDHO [O-]c1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357630 651910601 /nfs/dbraw/zinc/91/06/01/651910601.db2.gz QAZYGZUMSORLGS-SFHVURJKSA-N 1 3 312.413 2.249 20 10 DECDHO CCCN1CC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000850394896 651919899 /nfs/dbraw/zinc/91/98/99/651919899.db2.gz HPSAXHAKKHDSGQ-GOSISDBHSA-N 1 3 316.493 2.012 20 10 DECDHO COc1ccc(N2CCC([NH2+]CC34CC(C3)CN4)CC2)cc1 ZINC000853246224 652529057 /nfs/dbraw/zinc/52/90/57/652529057.db2.gz IKNXLHIJRZRUAN-UHFFFAOYSA-N 1 3 301.434 2.006 20 10 DECDHO CN(C)c1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000193455034 685041316 /nfs/dbraw/zinc/04/13/16/685041316.db2.gz ASWGFNYEJQEMES-UHFFFAOYSA-N 1 3 318.509 2.210 20 10 DECDHO CN(C)c1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000193455034 685041320 /nfs/dbraw/zinc/04/13/20/685041320.db2.gz ASWGFNYEJQEMES-UHFFFAOYSA-N 1 3 318.509 2.210 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCCO[C@H](C)C3)cc2)CC1 ZINC001140299756 796503451 /nfs/dbraw/zinc/50/34/51/796503451.db2.gz FCABMDDZAWFKTF-QGZVFWFLSA-N 1 3 317.477 2.439 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCCO[C@H](C)C3)cc2)CC1 ZINC001140299756 796503453 /nfs/dbraw/zinc/50/34/53/796503453.db2.gz FCABMDDZAWFKTF-QGZVFWFLSA-N 1 3 317.477 2.439 20 10 DECDHO CC[NH+](CC)CCCN1CCN(Cc2ccccc2O)CC1 ZINC001203556667 800078054 /nfs/dbraw/zinc/07/80/54/800078054.db2.gz VYDXKLOKZXJOQT-UHFFFAOYSA-N 1 3 305.466 2.242 20 10 DECDHO C[C@@H]1[C@H](N)CC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001205183225 800312035 /nfs/dbraw/zinc/31/20/35/800312035.db2.gz YQBBSSAHDFQBBJ-MLGOLLRUSA-N 1 3 301.434 2.013 20 10 DECDHO C[C@@H]1[C@H](N)CC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001205183225 800312041 /nfs/dbraw/zinc/31/20/41/800312041.db2.gz YQBBSSAHDFQBBJ-MLGOLLRUSA-N 1 3 301.434 2.013 20 10 DECDHO COc1ccc(N2CCC[N@H+](CC3(CN)CCC3)CC2)cc1 ZINC001579225247 1067264218 /nfs/dbraw/zinc/26/42/18/1067264218.db2.gz HKASHXJTLNUYBA-UHFFFAOYSA-N 1 3 303.450 2.336 20 10 DECDHO COc1ccc(N2CCC[N@@H+](CC3(CN)CCC3)CC2)cc1 ZINC001579225247 1067264226 /nfs/dbraw/zinc/26/42/26/1067264226.db2.gz HKASHXJTLNUYBA-UHFFFAOYSA-N 1 3 303.450 2.336 20 10 DECDHO CCN1CCN(c2ccc(O[C@H](C)C[N+](C)(C)C)cc2)CC1 ZINC001234660089 1084190794 /nfs/dbraw/zinc/19/07/94/1084190794.db2.gz DDGXEEBOBNIVLO-MRXNPFEDSA-N 1 3 306.474 2.302 20 10 DECDHO C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(F)ccc1[O-] ZINC000184983601 402314564 /nfs/dbraw/zinc/31/45/64/402314564.db2.gz ZSYIWBYZSSJUAV-ZDUSSCGKSA-N 1 3 309.429 2.208 20 10 DECDHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000185013836 402316612 /nfs/dbraw/zinc/31/66/12/402316612.db2.gz RBNGUINDIRWEEV-HNNXBMFYSA-N 1 3 321.465 2.079 20 10 DECDHO C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000925764447 634765774 /nfs/dbraw/zinc/76/57/74/634765774.db2.gz YYUAEBVDJCJTJS-QFBILLFUSA-N 1 3 316.493 2.059 20 10 DECDHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3[O-])C2)[C@@H]1C(C)C ZINC000922392868 636154908 /nfs/dbraw/zinc/15/49/08/636154908.db2.gz OIKZQYRESWDGIL-YSHGAJCASA-N 1 3 318.461 2.352 20 10 DECDHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3[O-])C2)[C@@H]1C(C)C ZINC000922392868 636154911 /nfs/dbraw/zinc/15/49/11/636154911.db2.gz OIKZQYRESWDGIL-YSHGAJCASA-N 1 3 318.461 2.352 20 10 DECDHO COc1ccc(N2CCC(N[C@@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000841057652 650417052 /nfs/dbraw/zinc/41/70/52/650417052.db2.gz BUPKPDWWPBHULE-RDTXWAMCSA-N 1 3 303.450 2.252 20 10 DECDHO CCN(CC)c1ccc(CN(C)CCN2CC[NH2+]CC2)cc1F ZINC000843053502 650878370 /nfs/dbraw/zinc/87/83/70/650878370.db2.gz ZIPXZFYCWGSLRG-UHFFFAOYSA-N 1 3 322.472 2.009 20 10 DECDHO COc1ccc(N2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000843060026 650880896 /nfs/dbraw/zinc/88/08/96/650880896.db2.gz ANCIHLUFRKTXDX-MRXNPFEDSA-N 1 3 303.450 2.207 20 10 DECDHO CCN(CC)c1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000817888594 647371247 /nfs/dbraw/zinc/37/12/47/647371247.db2.gz MWEYBGXHTXOLCX-FHLIZLRMSA-N 1 3 305.466 2.375 20 10 DECDHO CC[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1ccccc1O ZINC000155143349 648196587 /nfs/dbraw/zinc/19/65/87/648196587.db2.gz PUPJIRNZFHIGGL-RDJZCZTQSA-N 1 3 305.466 2.459 20 10 DECDHO C[C@H](CC[NH+](C)C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000827662253 649063663 /nfs/dbraw/zinc/06/36/63/649063663.db2.gz PJDBXQNQMILWME-OAHLLOKOSA-N 1 3 305.466 2.078 20 10 DECDHO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000850500761 651940790 /nfs/dbraw/zinc/94/07/90/651940790.db2.gz JGYSLHYKXLCVMB-KBPBESRZSA-N 1 3 311.445 2.454 20 10 DECDHO COc1ccc(N2CCN(CCCCCC[NH3+])CC2)c(OC)c1 ZINC000866697590 687656848 /nfs/dbraw/zinc/65/68/48/687656848.db2.gz SRISDNFOVMRBQY-UHFFFAOYSA-N 1 3 321.465 2.345 20 10 DECDHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877017016 689998256 /nfs/dbraw/zinc/99/82/56/689998256.db2.gz QKSDJYQRKYBGDI-INIZCTEOSA-N 1 3 305.466 2.064 20 10 DECDHO CN1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)C1 ZINC001141145672 796639796 /nfs/dbraw/zinc/63/97/96/796639796.db2.gz XTXIJYPGKDXFKF-GOSISDBHSA-N 1 3 301.434 2.043 20 10 DECDHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)OCCN4C)C2)C1 ZINC001141145672 796639798 /nfs/dbraw/zinc/63/97/98/796639798.db2.gz XTXIJYPGKDXFKF-GOSISDBHSA-N 1 3 301.434 2.043 20 10 DECDHO COc1ccc(N2CC[NH+](C[C@H]3CCCN(C)C3)CC2)cc1 ZINC001208603293 801026850 /nfs/dbraw/zinc/02/68/50/801026850.db2.gz AHXGWXGEYCHJTH-INIZCTEOSA-N 1 3 303.450 2.159 20 10 DECDHO COc1cc(C)c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c([O-])c1 ZINC001658546424 1080211304 /nfs/dbraw/zinc/21/13/04/1080211304.db2.gz KGSRHBCLJZVRIX-HNNXBMFYSA-N 1 3 323.481 2.071 20 10 DECDHO CCN1CCN(c2ccc(CN(C)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC001236118378 1084616370 /nfs/dbraw/zinc/61/63/70/1084616370.db2.gz HXVAZPBWTOQGJH-SFHVURJKSA-N 1 3 316.493 2.012 20 10 DECDHO C[NH+]1CCC2(CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)CC1 ZINC000369722468 530051209 /nfs/dbraw/zinc/05/12/09/530051209.db2.gz SBKYESKZRKDYBS-UHFFFAOYSA-N 1 3 318.417 2.429 20 10 DECDHO C[NH+]1CCC2(CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)CC1 ZINC000369722468 530051210 /nfs/dbraw/zinc/05/12/10/530051210.db2.gz SBKYESKZRKDYBS-UHFFFAOYSA-N 1 3 318.417 2.429 20 10 DECDHO Cc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c([O-])c1 ZINC000184983431 402314728 /nfs/dbraw/zinc/31/47/28/402314728.db2.gz XGCCWXJZIKLWLT-HNNXBMFYSA-N 1 3 305.466 2.377 20 10 DECDHO CN1CCC[C@@H]1CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000271355519 402861751 /nfs/dbraw/zinc/86/17/51/402861751.db2.gz ZDLVOYJYOANBMB-GOSISDBHSA-N 1 3 317.477 2.439 20 10 DECDHO CN1CCC[C@@H]1CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000271355519 402861753 /nfs/dbraw/zinc/86/17/53/402861753.db2.gz ZDLVOYJYOANBMB-GOSISDBHSA-N 1 3 317.477 2.439 20 10 DECDHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841029025 650408671 /nfs/dbraw/zinc/40/86/71/650408671.db2.gz DJBHHQJKDORDGU-NVXWUHKLSA-N 1 3 321.440 2.269 20 10 DECDHO CC(C)C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NCC[NH+](C)C ZINC000783527951 643014261 /nfs/dbraw/zinc/01/42/61/643014261.db2.gz KAFAMNFAHHXCLV-HOCLYGCPSA-N 1 3 321.465 2.135 20 10 DECDHO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@](O)(CN)C2)c1 ZINC001205726857 800409596 /nfs/dbraw/zinc/40/95/96/800409596.db2.gz YNWMXCKWZDQVQF-SFHVURJKSA-N 1 3 306.450 2.365 20 10 DECDHO CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@](O)(CN)C2)c1 ZINC001205726857 800409604 /nfs/dbraw/zinc/40/96/04/800409604.db2.gz YNWMXCKWZDQVQF-SFHVURJKSA-N 1 3 306.450 2.365 20 10 DECDHO c1ccc2c(c1)CNC[C@@H]2Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218490300 802190568 /nfs/dbraw/zinc/19/05/68/802190568.db2.gz RNMWJVPFQHBJII-IBGZPJMESA-N 1 3 309.413 2.320 20 10 DECDHO CC(C)[N@H+](C)CCNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001620761837 1069177349 /nfs/dbraw/zinc/17/73/49/1069177349.db2.gz UVDGBNWJQADDTG-UHFFFAOYSA-N 1 3 322.472 2.007 20 10 DECDHO CC(C)[N@@H+](C)CCNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001620761837 1069177354 /nfs/dbraw/zinc/17/73/54/1069177354.db2.gz UVDGBNWJQADDTG-UHFFFAOYSA-N 1 3 322.472 2.007 20 10 DECDHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001655725058 1080015706 /nfs/dbraw/zinc/01/57/06/1080015706.db2.gz NTYLBJOZMQYTFB-HKUYNNGSSA-N 1 3 317.477 2.486 20 10 DECDHO CC(C)c1ccc(CN2CCN(CC[NH+](C)C)CC2)c(O)c1 ZINC001237045347 1138488121 /nfs/dbraw/zinc/48/81/21/1138488121.db2.gz JIFNCSQYTWXRNI-UHFFFAOYSA-N 1 3 305.466 2.195 20 10 DECDHO CC(C)C[C@@H](C[NH3+])NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325321374 1147892517 /nfs/dbraw/zinc/89/25/17/1147892517.db2.gz VWZWDEYXDGUPAZ-INIZCTEOSA-N 1 3 322.472 2.041 20 10 DECDHO CC(C)C[C@@H](CN)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325321374 1147892521 /nfs/dbraw/zinc/89/25/21/1147892521.db2.gz VWZWDEYXDGUPAZ-INIZCTEOSA-N 1 3 322.472 2.041 20 10 DECDHO C[C@@H](NC1CC[NH+](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161448306 525401075 /nfs/dbraw/zinc/40/10/75/525401075.db2.gz AJCDUTKDAHXHBA-CQSZACIVSA-N 1 3 321.440 2.407 20 10 DECDHO CN(C)c1ccc(C[NH+]2CCC(N3CCCOCC3)CC2)cc1 ZINC000931286779 625700153 /nfs/dbraw/zinc/70/01/53/625700153.db2.gz JPOBTDBXZKQDMN-UHFFFAOYSA-N 1 3 317.477 2.439 20 10 DECDHO COc1ccc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c(O)c1OC ZINC000894456820 637048273 /nfs/dbraw/zinc/04/82/73/637048273.db2.gz RGWDABMEMDOPLY-ZDUSSCGKSA-N 1 3 308.422 2.229 20 10 DECDHO COc1ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)c(O)c1OC ZINC000894456820 637048274 /nfs/dbraw/zinc/04/82/74/637048274.db2.gz RGWDABMEMDOPLY-ZDUSSCGKSA-N 1 3 308.422 2.229 20 10 DECDHO C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000841033113 650410368 /nfs/dbraw/zinc/41/03/68/650410368.db2.gz KVQFSDWLCRICID-RDJZCZTQSA-N 1 3 303.450 2.001 20 10 DECDHO CCOc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c([O-])c1 ZINC000904391466 643652275 /nfs/dbraw/zinc/65/22/75/643652275.db2.gz GNXMUQXPGIFGLS-MRXNPFEDSA-N 1 3 320.433 2.121 20 10 DECDHO Cc1cc(O)c(C[NH+]2CCC(N3CC[C@H](O)C3)CC2)cc1C ZINC000827699051 649071118 /nfs/dbraw/zinc/07/11/18/649071118.db2.gz DJVJYNHSSQLDNS-KRWDZBQOSA-N 1 3 304.434 2.040 20 10 DECDHO CCC[NH+]1CCC(NCc2ccc(OC)c(OC)c2O)CC1 ZINC000893324250 692966345 /nfs/dbraw/zinc/96/63/45/692966345.db2.gz QMURCEAAUNWXSH-UHFFFAOYSA-N 1 3 308.422 2.373 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(O)C3)cc2)CC1 ZINC001140304675 796503084 /nfs/dbraw/zinc/50/30/84/796503084.db2.gz XZJBGXIKFTUCTE-LJQANCHMSA-N 1 3 317.477 2.175 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(O)C3)cc2)CC1 ZINC001140304675 796503089 /nfs/dbraw/zinc/50/30/89/796503089.db2.gz XZJBGXIKFTUCTE-LJQANCHMSA-N 1 3 317.477 2.175 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC4(COC4)C3)cc2)CC1 ZINC001140302681 796503762 /nfs/dbraw/zinc/50/37/62/796503762.db2.gz XNQDEXDEFCXFOU-UHFFFAOYSA-N 1 3 315.461 2.051 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCC4(COC4)C3)cc2)CC1 ZINC001140302681 796503768 /nfs/dbraw/zinc/50/37/68/796503768.db2.gz XNQDEXDEFCXFOU-UHFFFAOYSA-N 1 3 315.461 2.051 20 10 DECDHO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205248086 800329602 /nfs/dbraw/zinc/32/96/02/800329602.db2.gz MKECVRVDLVVLNH-GOSISDBHSA-N 1 3 306.450 2.365 20 10 DECDHO CC(C)(C)c1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205248086 800329609 /nfs/dbraw/zinc/32/96/09/800329609.db2.gz MKECVRVDLVVLNH-GOSISDBHSA-N 1 3 306.450 2.365 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H]3CC[C@@H](C)[NH2+]C3)cc2)CC1 ZINC001218409265 802178518 /nfs/dbraw/zinc/17/85/18/802178518.db2.gz UHAHDKXLRZYOLK-CRAIPNDOSA-N 1 3 303.450 2.348 20 10 DECDHO c1c(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235938969 1084569556 /nfs/dbraw/zinc/56/95/56/1084569556.db2.gz NCEWVAWZASLMBD-RBUKOAKNSA-N 1 3 311.473 2.427 20 10 DECDHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185013742 402316575 /nfs/dbraw/zinc/31/65/75/402316575.db2.gz KGIMBHSBCUMBDW-INIZCTEOSA-N 1 3 305.466 2.379 20 10 DECDHO COc1ccc([O-])c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000185414492 333208621 /nfs/dbraw/zinc/20/86/21/333208621.db2.gz YSSKSUGOTAHRMV-HUUCEWRRSA-N 1 3 322.449 2.288 20 10 DECDHO COc1ccc([O-])c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000185414492 333208623 /nfs/dbraw/zinc/20/86/23/333208623.db2.gz YSSKSUGOTAHRMV-HUUCEWRRSA-N 1 3 322.449 2.288 20 10 DECDHO COc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(O)c1OC ZINC000894497349 637069345 /nfs/dbraw/zinc/06/93/45/637069345.db2.gz XTFXBKDBSGZZOM-UKRRQHHQSA-N 1 3 320.433 2.326 20 10 DECDHO COc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(O)c1OC ZINC000894497349 637069347 /nfs/dbraw/zinc/06/93/47/637069347.db2.gz XTFXBKDBSGZZOM-UKRRQHHQSA-N 1 3 320.433 2.326 20 10 DECDHO [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000841098985 650430444 /nfs/dbraw/zinc/43/04/44/650430444.db2.gz ASMXGKSHVKUGSF-WBVHZDCISA-N 1 3 308.397 2.250 20 10 DECDHO COc1cccc([O-])c1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000841099949 650430560 /nfs/dbraw/zinc/43/05/60/650430560.db2.gz QRNJUKYKZZWVNG-QAPCUYQASA-N 1 3 320.433 2.119 20 10 DECDHO Cc1cc(Br)cc(CNC[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903968322 643538090 /nfs/dbraw/zinc/53/80/90/643538090.db2.gz SPIYSWAVFVFGMU-PWSUYJOCSA-N 1 3 313.239 2.408 20 10 DECDHO Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1[O-] ZINC000903968322 643538093 /nfs/dbraw/zinc/53/80/93/643538093.db2.gz SPIYSWAVFVFGMU-PWSUYJOCSA-N 1 3 313.239 2.408 20 10 DECDHO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3CN)C2)cc1 ZINC000818614407 647488811 /nfs/dbraw/zinc/48/88/11/647488811.db2.gz ABSGNTWABZXIJD-RVKKMQEKSA-N 1 3 303.450 2.239 20 10 DECDHO c1cc(N2CCOCC2)ccc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071939946 649243957 /nfs/dbraw/zinc/24/39/57/649243957.db2.gz AJNKGKUHCWTEIB-QGZVFWFLSA-N 1 3 315.461 2.097 20 10 DECDHO c1cc(N2CCOCC2)ccc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000071939946 649243960 /nfs/dbraw/zinc/24/39/60/649243960.db2.gz AJNKGKUHCWTEIB-QGZVFWFLSA-N 1 3 315.461 2.097 20 10 DECDHO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000071939946 649243962 /nfs/dbraw/zinc/24/39/62/649243962.db2.gz AJNKGKUHCWTEIB-QGZVFWFLSA-N 1 3 315.461 2.097 20 10 DECDHO COc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000844903151 651180988 /nfs/dbraw/zinc/18/09/88/651180988.db2.gz TXZZSHTZFCKPET-SUNYJGFJSA-N 1 3 320.433 2.119 20 10 DECDHO COc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000844903151 651180990 /nfs/dbraw/zinc/18/09/90/651180990.db2.gz TXZZSHTZFCKPET-SUNYJGFJSA-N 1 3 320.433 2.119 20 10 DECDHO COc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000844903150 651181103 /nfs/dbraw/zinc/18/11/03/651181103.db2.gz TXZZSHTZFCKPET-PMUMKWKESA-N 1 3 320.433 2.119 20 10 DECDHO COc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000844903150 651181105 /nfs/dbraw/zinc/18/11/05/651181105.db2.gz TXZZSHTZFCKPET-PMUMKWKESA-N 1 3 320.433 2.119 20 10 DECDHO COc1ccc(N2CC[C@H](N[C@H](C)C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000849349486 651655518 /nfs/dbraw/zinc/65/55/18/651655518.db2.gz ATWSXNLBXCEAGK-PMPSAXMXSA-N 1 3 303.450 2.394 20 10 DECDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230380 652661573 /nfs/dbraw/zinc/66/15/73/652661573.db2.gz OBMLJXIYCMQUAM-BEFAXECRSA-N 1 3 317.477 2.125 20 10 DECDHO CN(C)CCN(C(=O)/C=C/[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000876741807 689924023 /nfs/dbraw/zinc/92/40/23/689924023.db2.gz SXORLTRKLMWGFE-SIFUEBAJSA-N 1 3 301.434 2.137 20 10 DECDHO C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H]1C[NH3+] ZINC001205150917 782892302 /nfs/dbraw/zinc/89/23/02/782892302.db2.gz MNPFAXOVXJPILQ-GXSJLCMTSA-N 1 3 304.312 2.317 20 10 DECDHO C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C[C@H]1C[NH3+] ZINC001205150917 782892309 /nfs/dbraw/zinc/89/23/09/782892309.db2.gz MNPFAXOVXJPILQ-GXSJLCMTSA-N 1 3 304.312 2.317 20 10 DECDHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205673826 800398335 /nfs/dbraw/zinc/39/83/35/800398335.db2.gz UNOGDALOTGGAGR-IBGZPJMESA-N 1 3 317.477 2.353 20 10 DECDHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205673826 800398343 /nfs/dbraw/zinc/39/83/43/800398343.db2.gz UNOGDALOTGGAGR-IBGZPJMESA-N 1 3 317.477 2.353 20 10 DECDHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205673826 800398351 /nfs/dbraw/zinc/39/83/51/800398351.db2.gz UNOGDALOTGGAGR-IBGZPJMESA-N 1 3 317.477 2.353 20 10 DECDHO [O-]c1ccc2ccccc2c1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222099857 802643469 /nfs/dbraw/zinc/64/34/69/802643469.db2.gz NVEWIWPLUSLFNA-UHFFFAOYSA-N 1 3 311.429 2.073 20 10 DECDHO [O-]c1ccc2ccccc2c1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222099857 802643474 /nfs/dbraw/zinc/64/34/74/802643474.db2.gz NVEWIWPLUSLFNA-UHFFFAOYSA-N 1 3 311.429 2.073 20 10 DECDHO CC(C)c1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001222104627 802645039 /nfs/dbraw/zinc/64/50/39/802645039.db2.gz JZKYZTBYGZKCIY-UHFFFAOYSA-N 1 3 303.450 2.043 20 10 DECDHO CC(C)c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001222104627 802645043 /nfs/dbraw/zinc/64/50/43/802645043.db2.gz JZKYZTBYGZKCIY-UHFFFAOYSA-N 1 3 303.450 2.043 20 10 DECDHO C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001275267135 1091644802 /nfs/dbraw/zinc/64/48/02/1091644802.db2.gz KOKOCAYSKRWLQR-IBGZPJMESA-N 1 3 317.477 2.242 20 10 DECDHO C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001275267135 1091644805 /nfs/dbraw/zinc/64/48/05/1091644805.db2.gz KOKOCAYSKRWLQR-IBGZPJMESA-N 1 3 317.477 2.242 20 10 DECDHO C[C@H]1CC[C@H](NC2CC[NH+](Cc3ccccc3[O-])CC2)C[NH2+]1 ZINC001246358804 1140888105 /nfs/dbraw/zinc/88/81/05/1140888105.db2.gz IYAJFBMSFACQSL-YOEHRIQHSA-N 1 3 303.450 2.087 20 10 DECDHO COc1ccc(N2CC[NH+]([C@@H]3CCCN(C)CC3)CC2)cc1 ZINC001254516451 1143174928 /nfs/dbraw/zinc/17/49/28/1143174928.db2.gz MLVGTWAMFWRCKE-MRXNPFEDSA-N 1 3 303.450 2.302 20 10 DECDHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185345841 402346088 /nfs/dbraw/zinc/34/60/88/402346088.db2.gz ODZIPFYXBRSKAE-CABCVRRESA-N 1 3 323.456 2.456 20 10 DECDHO COc1ccc(N2CCC([NH2+][C@@H]3CCN[C@H](C)C3)CC2)cc1 ZINC000841061819 650418808 /nfs/dbraw/zinc/41/88/08/650418808.db2.gz MWVJJPPPQGEXBD-GDBMZVCRSA-N 1 3 303.450 2.394 20 10 DECDHO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000902517927 643062632 /nfs/dbraw/zinc/06/26/32/643062632.db2.gz OVGBMYKREQCOFT-JLSDUUJJSA-N 1 3 304.482 2.085 20 10 DECDHO COc1ccc(N2CC[C@@H](NC[C@@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000904376837 643654195 /nfs/dbraw/zinc/65/41/95/643654195.db2.gz GEPZBLYDBDSADA-QAPCUYQASA-N 1 3 303.450 2.253 20 10 DECDHO COc1ccc(N2CC[C@H](NC[C@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000904376835 643654256 /nfs/dbraw/zinc/65/42/56/643654256.db2.gz GEPZBLYDBDSADA-MAUKXSAKSA-N 1 3 303.450 2.253 20 10 DECDHO CC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000843053180 650878472 /nfs/dbraw/zinc/87/84/72/650878472.db2.gz IVWVPERRVQDGKQ-SJLPKXTDSA-N 1 3 303.450 2.082 20 10 DECDHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2F)C[C@@H](C)O1 ZINC000817889079 647371484 /nfs/dbraw/zinc/37/14/84/647371484.db2.gz RVMDMLITTYKROF-BQGCOEIASA-N 1 3 321.440 2.409 20 10 DECDHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965485 647396110 /nfs/dbraw/zinc/39/61/10/647396110.db2.gz RMBMMXNUDQVWEW-WBMJQRKESA-N 1 3 307.413 2.050 20 10 DECDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185021779 649423735 /nfs/dbraw/zinc/42/37/35/649423735.db2.gz BHFYABCGZONVJY-HZPDHXFCSA-N 1 3 305.466 2.377 20 10 DECDHO C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(F)ccc1[O-] ZINC000185367489 649511375 /nfs/dbraw/zinc/51/13/75/649511375.db2.gz LWRIKPBOOOAYCF-CQSZACIVSA-N 1 3 309.429 2.210 20 10 DECDHO C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)ccc1[O-] ZINC000185367489 649511377 /nfs/dbraw/zinc/51/13/77/649511377.db2.gz LWRIKPBOOOAYCF-CQSZACIVSA-N 1 3 309.429 2.210 20 10 DECDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000844901926 651180715 /nfs/dbraw/zinc/18/07/15/651180715.db2.gz JIPLGALPZOCFFF-MJEQTWJJSA-N 1 3 308.397 2.250 20 10 DECDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000844901926 651180716 /nfs/dbraw/zinc/18/07/16/651180716.db2.gz JIPLGALPZOCFFF-MJEQTWJJSA-N 1 3 308.397 2.250 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](OC)C3)cc2)CC1 ZINC001140302402 796503416 /nfs/dbraw/zinc/50/34/16/796503416.db2.gz RBWZFXUXBMZYSK-GOSISDBHSA-N 1 3 303.450 2.049 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](OC)C3)cc2)CC1 ZINC001140302402 796503419 /nfs/dbraw/zinc/50/34/19/796503419.db2.gz RBWZFXUXBMZYSK-GOSISDBHSA-N 1 3 303.450 2.049 20 10 DECDHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001576116890 1066497047 /nfs/dbraw/zinc/49/70/47/1066497047.db2.gz BNCGLWWZNZBTES-NVXWUHKLSA-N 1 3 317.477 2.207 20 10 DECDHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001650764131 1079772551 /nfs/dbraw/zinc/77/25/51/1079772551.db2.gz XVWLIFTWRVZWPF-ROUUACIJSA-N 1 3 316.445 2.089 20 10 DECDHO CCN1CCN(c2ccc(CN3CCC[C@@H]3C[NH2+]C)cc2)CC1 ZINC001236416534 1138360172 /nfs/dbraw/zinc/36/01/72/1138360172.db2.gz FSRASLUMRMPCJO-LJQANCHMSA-N 1 3 316.493 2.012 20 10 DECDHO COc1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c(O)c1OC ZINC000891671340 624525202 /nfs/dbraw/zinc/52/52/02/624525202.db2.gz OMNKQYCPDWEYON-CYBMUJFWSA-N 1 3 308.422 2.183 20 10 DECDHO COc1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c(O)c1OC ZINC000891671340 624525203 /nfs/dbraw/zinc/52/52/03/624525203.db2.gz OMNKQYCPDWEYON-CYBMUJFWSA-N 1 3 308.422 2.183 20 10 DECDHO CN(C)c1ccc([C@@H](CN[C@@H]2CC[NH2+]C2(C)C)N(C)C)cc1 ZINC000902516813 643062261 /nfs/dbraw/zinc/06/22/61/643062261.db2.gz GYEDIYDESITIQT-IAGOWNOFSA-N 1 3 304.482 2.085 20 10 DECDHO CN(C)c1ccc([C@H](CN[C@H]2CC[NH2+]C2(C)C)N(C)C)cc1 ZINC000902516814 643062763 /nfs/dbraw/zinc/06/27/63/643062763.db2.gz GYEDIYDESITIQT-IRXDYDNUSA-N 1 3 304.482 2.085 20 10 DECDHO C[C@@H]1C[NH2+]C[C@H]1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000903426827 643345616 /nfs/dbraw/zinc/34/56/16/643345616.db2.gz OZSYJQIZTSBQCW-PVAVHDDUSA-N 1 3 304.434 2.229 20 10 DECDHO CN(C)CC1([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCC1 ZINC000798501950 645027233 /nfs/dbraw/zinc/02/72/33/645027233.db2.gz IWYRWPFCZFJPHT-UHFFFAOYSA-N 1 3 316.493 2.012 20 10 DECDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000817900957 647376886 /nfs/dbraw/zinc/37/68/86/647376886.db2.gz XADQKIWZYPVIQV-BMGDILEWSA-N 1 3 303.450 2.129 20 10 DECDHO CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1[O-] ZINC000155124247 648192871 /nfs/dbraw/zinc/19/28/71/648192871.db2.gz IYNGDCXNFHIJGU-QGZVFWFLSA-N 1 3 305.466 2.461 20 10 DECDHO CC[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1ccccc1O ZINC000155143241 648196641 /nfs/dbraw/zinc/19/66/41/648196641.db2.gz PUPJIRNZFHIGGL-NVXWUHKLSA-N 1 3 305.466 2.459 20 10 DECDHO COc1ccc(N2CC[C@H](N[C@H]3CC[NH2+]CC[C@@H]3C)C2)cc1 ZINC000854217206 652658543 /nfs/dbraw/zinc/65/85/43/652658543.db2.gz KZRYYZOHDBARIG-MPGHIAIKSA-N 1 3 303.450 2.252 20 10 DECDHO COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CCCCN3)C2)cc1 ZINC000854217682 652659765 /nfs/dbraw/zinc/65/97/65/652659765.db2.gz OPLGFWJTGFLPQW-RVKKMQEKSA-N 1 3 303.450 2.394 20 10 DECDHO C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)ccc1[O-] ZINC000873294733 689204313 /nfs/dbraw/zinc/20/43/13/689204313.db2.gz YXVLLQBGBMWXBA-OCCSQVGLSA-N 1 3 308.397 2.341 20 10 DECDHO C[NH2+]C[C@H](C)CNCc1cc(Br)cc(C)c1O ZINC001118019603 795138302 /nfs/dbraw/zinc/13/83/02/795138302.db2.gz PWHZPLBFRSRTIE-VIFPVBQESA-N 1 3 301.228 2.408 20 10 DECDHO [NH3+]C1CCN(c2cccc(NCc3ccc(O)c(O)c3)n2)CC1 ZINC001158997908 798501470 /nfs/dbraw/zinc/50/14/70/798501470.db2.gz UFMAWKKUOSFROK-UHFFFAOYSA-N 1 3 314.389 2.032 20 10 DECDHO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)c(O)c1 ZINC001205725189 800408491 /nfs/dbraw/zinc/40/84/91/800408491.db2.gz DBSABESADKABHG-GOSISDBHSA-N 1 3 306.450 2.365 20 10 DECDHO CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@](O)(CN)C2)c(O)c1 ZINC001205725189 800408495 /nfs/dbraw/zinc/40/84/95/800408495.db2.gz DBSABESADKABHG-GOSISDBHSA-N 1 3 306.450 2.365 20 10 DECDHO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](CN)C(C)C)C2)cc1 ZINC001579224493 1067263866 /nfs/dbraw/zinc/26/38/66/1067263866.db2.gz LQOAZRUWKIGDGW-CVEARBPZSA-N 1 3 305.466 2.342 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H]3CC[N@H+](CC)C3)cc2)CC1 ZINC001234658032 1084190827 /nfs/dbraw/zinc/19/08/27/1084190827.db2.gz RGQWSEVOLQUDLD-GOSISDBHSA-N 1 3 303.450 2.302 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H]3CC[N@@H+](CC)C3)cc2)CC1 ZINC001234658032 1084190829 /nfs/dbraw/zinc/19/08/29/1084190829.db2.gz RGQWSEVOLQUDLD-GOSISDBHSA-N 1 3 303.450 2.302 20 10 DECDHO CC[C@H]1C[NH2+]CCN1Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001235769992 1084522965 /nfs/dbraw/zinc/52/29/65/1084522965.db2.gz AHJGMLOWMXSACB-SFHVURJKSA-N 1 3 316.493 2.012 20 10 DECDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000185670941 402368687 /nfs/dbraw/zinc/36/86/87/402368687.db2.gz DYVHPLCDFQCIOS-DZGCQCFKSA-N 1 3 310.438 2.408 20 10 DECDHO [O-]c1cccc2c1[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000297731274 404606827 /nfs/dbraw/zinc/60/68/27/404606827.db2.gz NPKKVOOLBQIUKP-CVEARBPZSA-N 1 3 304.434 2.206 20 10 DECDHO [O-]c1cccc2c1[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000297731274 404606834 /nfs/dbraw/zinc/60/68/34/404606834.db2.gz NPKKVOOLBQIUKP-CVEARBPZSA-N 1 3 304.434 2.206 20 10 DECDHO CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1[O-] ZINC000185208001 286902098 /nfs/dbraw/zinc/90/20/98/286902098.db2.gz PBVJVILQHYKNQY-QGZVFWFLSA-N 1 3 305.466 2.459 20 10 DECDHO Cc1ccc(O)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000378371990 534196999 /nfs/dbraw/zinc/19/69/99/534196999.db2.gz QSYNPUCCARNXNK-LZLYRXPVSA-N 1 3 304.434 2.384 20 10 DECDHO COc1ccc(N2CCC(N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000841057649 650416861 /nfs/dbraw/zinc/41/68/61/650416861.db2.gz BUPKPDWWPBHULE-KBXCAEBGSA-N 1 3 303.450 2.252 20 10 DECDHO [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000841098984 650430635 /nfs/dbraw/zinc/43/06/35/650430635.db2.gz ASMXGKSHVKUGSF-RDJZCZTQSA-N 1 3 308.397 2.250 20 10 DECDHO C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756606150 639678978 /nfs/dbraw/zinc/67/89/78/639678978.db2.gz VUACRQCYWJWDPQ-YPMHNXCESA-N 1 3 308.397 2.126 20 10 DECDHO COc1cc(O)c(C[N@H+](C)CC(C)(C)CN(C)C)cc1OC ZINC000898308088 641096953 /nfs/dbraw/zinc/09/69/53/641096953.db2.gz NKDDLEKEQNSDAV-UHFFFAOYSA-N 1 3 310.438 2.429 20 10 DECDHO COc1cc(O)c(C[N@@H+](C)CC(C)(C)CN(C)C)cc1OC ZINC000898308088 641096957 /nfs/dbraw/zinc/09/69/57/641096957.db2.gz NKDDLEKEQNSDAV-UHFFFAOYSA-N 1 3 310.438 2.429 20 10 DECDHO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCC[NH2+]1 ZINC000902517928 643062180 /nfs/dbraw/zinc/06/21/80/643062180.db2.gz OVGBMYKREQCOFT-OLMNPRSZSA-N 1 3 304.482 2.085 20 10 DECDHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817892853 647373944 /nfs/dbraw/zinc/37/39/44/647373944.db2.gz DCZWLLIHMRQKSR-WMLDXEAASA-N 1 3 321.440 2.004 20 10 DECDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895848 647374728 /nfs/dbraw/zinc/37/47/28/647374728.db2.gz WYAVZSYGXCEIJN-STQMWFEESA-N 1 3 309.429 2.002 20 10 DECDHO C[C@H]([NH2+]C[C@@H]1CNCCCO1)c1cc2c(cc1O)CCCC2 ZINC000817981799 647400013 /nfs/dbraw/zinc/40/00/13/647400013.db2.gz NYJVEXXZBLFNSK-BBRMVZONSA-N 1 3 304.434 2.300 20 10 DECDHO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@H]3CN)C2)cc1 ZINC000818614408 647489510 /nfs/dbraw/zinc/48/95/10/647489510.db2.gz ABSGNTWABZXIJD-VKJFTORMSA-N 1 3 303.450 2.239 20 10 DECDHO C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2)CC1 ZINC000834581864 649819364 /nfs/dbraw/zinc/81/93/64/649819364.db2.gz OCENHPAGRRAFNO-WBVHZDCISA-N 1 3 315.461 2.138 20 10 DECDHO COc1ccc(N2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC000850489667 651938553 /nfs/dbraw/zinc/93/85/53/651938553.db2.gz WKUNJOAKAKAUKM-DUZACMNTSA-N 1 3 315.461 2.489 20 10 DECDHO COc1ccc(N2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC000850489667 651938558 /nfs/dbraw/zinc/93/85/58/651938558.db2.gz WKUNJOAKAKAUKM-DUZACMNTSA-N 1 3 315.461 2.489 20 10 DECDHO COc1ccc(N2CC[C@H](CN[C@@H]3CCC[NH2+][C@H]3C)C2)cc1 ZINC000925702192 693326973 /nfs/dbraw/zinc/32/69/73/693326973.db2.gz AKGQNYXXQQBQOS-HDMKZQKVSA-N 1 3 303.450 2.252 20 10 DECDHO COC[C@H]1CCCCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139254313 796350531 /nfs/dbraw/zinc/35/05/31/796350531.db2.gz GGIJAXGJSLOKLT-MRXNPFEDSA-N 1 3 322.449 2.463 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@](C)(CO)C3)cc2)CC1 ZINC001140302388 796503650 /nfs/dbraw/zinc/50/36/50/796503650.db2.gz QNIRDMRKOGEZDI-IBGZPJMESA-N 1 3 317.477 2.033 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@](C)(CO)C3)cc2)CC1 ZINC001140302388 796503656 /nfs/dbraw/zinc/50/36/56/796503656.db2.gz QNIRDMRKOGEZDI-IBGZPJMESA-N 1 3 317.477 2.033 20 10 DECDHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001576116893 1066497453 /nfs/dbraw/zinc/49/74/53/1066497453.db2.gz BNCGLWWZNZBTES-WBVHZDCISA-N 1 3 317.477 2.207 20 10 DECDHO COc1ccc(N2CCCN(C[C@@H](C[NH3+])C(C)C)CC2)cc1 ZINC001579225665 1067263680 /nfs/dbraw/zinc/26/36/80/1067263680.db2.gz SGIXKQGRWASGKG-MRXNPFEDSA-N 1 3 305.466 2.438 20 10 DECDHO COc1ccc(N2CCC[N@H+](C[C@@H](CN)C(C)C)CC2)cc1 ZINC001579225665 1067263685 /nfs/dbraw/zinc/26/36/85/1067263685.db2.gz SGIXKQGRWASGKG-MRXNPFEDSA-N 1 3 305.466 2.438 20 10 DECDHO COc1ccc(N2CCC[N@@H+](C[C@@H](CN)C(C)C)CC2)cc1 ZINC001579225665 1067263693 /nfs/dbraw/zinc/26/36/93/1067263693.db2.gz SGIXKQGRWASGKG-MRXNPFEDSA-N 1 3 305.466 2.438 20 10 DECDHO CCN1CCN(c2ccc(CN3CC[NH2+]C(C)(C)C3)cc2)CC1 ZINC001235833447 1084542357 /nfs/dbraw/zinc/54/23/57/1084542357.db2.gz BRDIRRARXSSTBK-UHFFFAOYSA-N 1 3 316.493 2.012 20 10 DECDHO c1c(CN2C[C@H]3CC[NH2+]C[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235938967 1084568848 /nfs/dbraw/zinc/56/88/48/1084568848.db2.gz NCEWVAWZASLMBD-MOPGFXCFSA-N 1 3 311.473 2.427 20 10 DECDHO CN1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001254499703 1143141825 /nfs/dbraw/zinc/14/18/25/1143141825.db2.gz NYDPKXAELPDFBQ-KRWDZBQOSA-N 1 3 303.450 2.097 20 10 DECDHO C[N@@H+]1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)CC1 ZINC001254499703 1143141867 /nfs/dbraw/zinc/14/18/67/1143141867.db2.gz NYDPKXAELPDFBQ-KRWDZBQOSA-N 1 3 303.450 2.097 20 10 DECDHO C[N@H+]1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)CC1 ZINC001254499703 1143141898 /nfs/dbraw/zinc/14/18/98/1143141898.db2.gz NYDPKXAELPDFBQ-KRWDZBQOSA-N 1 3 303.450 2.097 20 10 DECDHO COc1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)c(O)c1OC ZINC000891671348 624525244 /nfs/dbraw/zinc/52/52/44/624525244.db2.gz OMNKQYCPDWEYON-ZDUSSCGKSA-N 1 3 308.422 2.183 20 10 DECDHO COc1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c(O)c1OC ZINC000891671348 624525245 /nfs/dbraw/zinc/52/52/45/624525245.db2.gz OMNKQYCPDWEYON-ZDUSSCGKSA-N 1 3 308.422 2.183 20 10 DECDHO [O-]c1ccccc1C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000842471177 650747590 /nfs/dbraw/zinc/74/75/90/650747590.db2.gz HQWKHLQSZVRTPI-NVXWUHKLSA-N 1 3 304.434 2.373 20 10 DECDHO [O-]c1ccccc1C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000842471177 650747595 /nfs/dbraw/zinc/74/75/95/650747595.db2.gz HQWKHLQSZVRTPI-NVXWUHKLSA-N 1 3 304.434 2.373 20 10 DECDHO CCN(CC)c1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000817888595 647371550 /nfs/dbraw/zinc/37/15/50/647371550.db2.gz MWEYBGXHTXOLCX-JCGIZDLHSA-N 1 3 305.466 2.375 20 10 DECDHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000817894556 647373958 /nfs/dbraw/zinc/37/39/58/647373958.db2.gz MLIXDMIZARINDL-MAUKXSAKSA-N 1 3 303.450 2.001 20 10 DECDHO COc1cccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1O ZINC000846167894 651312443 /nfs/dbraw/zinc/31/24/43/651312443.db2.gz NRGCKVQPUJHZOI-CQSZACIVSA-N 1 3 321.465 2.077 20 10 DECDHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000848717301 651497021 /nfs/dbraw/zinc/49/70/21/651497021.db2.gz QURVFIPTJLZWOH-CABCVRRESA-N 1 3 321.440 2.146 20 10 DECDHO C[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(N2CCOCC2)cc1 ZINC000925483488 693280652 /nfs/dbraw/zinc/28/06/52/693280652.db2.gz ZQLCREHCBZORBD-BMGDILEWSA-N 1 3 315.461 2.444 20 10 DECDHO COc1cc(O)c(CN2CCCC[C@](C)(C[NH3+])C2)cc1OC ZINC001206573541 788183854 /nfs/dbraw/zinc/18/38/54/788183854.db2.gz MZVDNZVMJOCGRK-QGZVFWFLSA-N 1 3 308.422 2.360 20 10 DECDHO COc1cc(CN2CCC(C)(OC)CC2)cc(C[NH+](C)C)c1O ZINC001139252902 796348813 /nfs/dbraw/zinc/34/88/13/796348813.db2.gz DZPZVXXXKFQRNE-UHFFFAOYSA-N 1 3 322.449 2.463 20 10 DECDHO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205248090 800329929 /nfs/dbraw/zinc/32/99/29/800329929.db2.gz MKECVRVDLVVLNH-SFHVURJKSA-N 1 3 306.450 2.365 20 10 DECDHO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205248090 800329939 /nfs/dbraw/zinc/32/99/39/800329939.db2.gz MKECVRVDLVVLNH-SFHVURJKSA-N 1 3 306.450 2.365 20 10 DECDHO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)c1O ZINC001205683345 800400876 /nfs/dbraw/zinc/40/08/76/800400876.db2.gz YSGAVJIQMNELKO-GOSISDBHSA-N 1 3 306.450 2.365 20 10 DECDHO CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@](O)(CN)C2)c1O ZINC001205683345 800400880 /nfs/dbraw/zinc/40/08/80/800400880.db2.gz YSGAVJIQMNELKO-GOSISDBHSA-N 1 3 306.450 2.365 20 10 DECDHO Cc1cc(C)c(CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c(O)c1 ZINC001220825492 802501943 /nfs/dbraw/zinc/50/19/43/802501943.db2.gz JLLCDXACKJHJNG-INIZCTEOSA-N 1 3 321.465 2.121 20 10 DECDHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000150961566 402007011 /nfs/dbraw/zinc/00/70/11/402007011.db2.gz GIWHQPSYFFQZKJ-MRXNPFEDSA-N 1 3 318.509 2.429 20 10 DECDHO C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000841033111 650410227 /nfs/dbraw/zinc/41/02/27/650410227.db2.gz KVQFSDWLCRICID-DOTOQJQBSA-N 1 3 303.450 2.001 20 10 DECDHO COc1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3N4)CC2)cc1 ZINC000902472470 643041200 /nfs/dbraw/zinc/04/12/00/643041200.db2.gz AKWFXMCUVUHQQI-FHLIZLRMSA-N 1 3 301.434 2.147 20 10 DECDHO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000902517401 643062669 /nfs/dbraw/zinc/06/26/69/643062669.db2.gz LNNZAWXERBTIMP-ZYSHUDEJSA-N 1 3 318.509 2.476 20 10 DECDHO CC[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000902518677 643063055 /nfs/dbraw/zinc/06/30/55/643063055.db2.gz SNWYBSKNFUVNJJ-FHWLQOOXSA-N 1 3 318.509 2.476 20 10 DECDHO CC(C)[C@H]([NH3+])CCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000843056382 650879487 /nfs/dbraw/zinc/87/94/87/650879487.db2.gz IOVRKFPDGZEPHF-GOSISDBHSA-N 1 3 305.466 2.328 20 10 DECDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000844901929 651180645 /nfs/dbraw/zinc/18/06/45/651180645.db2.gz JIPLGALPZOCFFF-XGWLTEMNSA-N 1 3 308.397 2.250 20 10 DECDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000844901929 651180648 /nfs/dbraw/zinc/18/06/48/651180648.db2.gz JIPLGALPZOCFFF-XGWLTEMNSA-N 1 3 308.397 2.250 20 10 DECDHO CCN(CC)c1ccc(CNC2(CCO)CC[NH+](C)CC2)cc1 ZINC000848558481 651470733 /nfs/dbraw/zinc/47/07/33/651470733.db2.gz RNHOEAJNGDWDMA-UHFFFAOYSA-N 1 3 319.493 2.469 20 10 DECDHO CCc1cccc(C[NH2+]C[C@H](C)CN2CCN(CC)CC2)c1O ZINC000848894385 651549373 /nfs/dbraw/zinc/54/93/73/651549373.db2.gz DTMOBFMMBCSMAL-INIZCTEOSA-N 1 3 319.493 2.318 20 10 DECDHO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@H](N)C34CCC4)C2)cc1 ZINC000925714713 693328742 /nfs/dbraw/zinc/32/87/42/693328742.db2.gz VJGVPKNUMFWSDE-RRQGHBQHSA-N 1 3 301.434 2.133 20 10 DECDHO COc1cc(CN2CC[C@]3(CCOC3)C2)cc(C[NH+](C)C)c1O ZINC001139256186 796349723 /nfs/dbraw/zinc/34/97/23/796349723.db2.gz WDRGFBBRHJOPCD-SFHVURJKSA-N 1 3 320.433 2.075 20 10 DECDHO COc1cc(CN(C)C[C@H]2CCCCO2)cc(C[NH+](C)C)c1O ZINC001139257172 796350383 /nfs/dbraw/zinc/35/03/83/796350383.db2.gz UGJPHYMRNPXPMP-MRXNPFEDSA-N 1 3 322.449 2.463 20 10 DECDHO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282192078 403130956 /nfs/dbraw/zinc/13/09/56/403130956.db2.gz GIPJBACUUHOJGV-AWEZNQCLSA-N 1 3 321.465 2.077 20 10 DECDHO COc1ccc([O-])c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000185414473 333208611 /nfs/dbraw/zinc/20/86/11/333208611.db2.gz YSSKSUGOTAHRMV-LSDHHAIUSA-N 1 3 322.449 2.288 20 10 DECDHO COc1ccc([O-])c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000185414473 333208613 /nfs/dbraw/zinc/20/86/13/333208613.db2.gz YSSKSUGOTAHRMV-LSDHHAIUSA-N 1 3 322.449 2.288 20 10 DECDHO COc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)c(O)c1OC ZINC000893855098 636047890 /nfs/dbraw/zinc/04/78/90/636047890.db2.gz CKXNQRFCZPMHKX-UHFFFAOYSA-N 1 3 320.433 2.470 20 10 DECDHO COc1ccc(C[N@H+]2CCCC23CCN(C)CC3)c(O)c1OC ZINC000893855098 636047891 /nfs/dbraw/zinc/04/78/91/636047891.db2.gz CKXNQRFCZPMHKX-UHFFFAOYSA-N 1 3 320.433 2.470 20 10 DECDHO CC1(C)CCNCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000923416740 637161823 /nfs/dbraw/zinc/16/18/23/637161823.db2.gz YOUSSOZRMPPTOP-UHFFFAOYSA-N 1 3 303.450 2.097 20 10 DECDHO CC1(C)CCNCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000923416740 637161827 /nfs/dbraw/zinc/16/18/27/637161827.db2.gz YOUSSOZRMPPTOP-UHFFFAOYSA-N 1 3 303.450 2.097 20 10 DECDHO C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000841033114 650410081 /nfs/dbraw/zinc/41/00/81/650410081.db2.gz KVQFSDWLCRICID-WBVHZDCISA-N 1 3 303.450 2.001 20 10 DECDHO CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769517104 641255295 /nfs/dbraw/zinc/25/52/95/641255295.db2.gz YPLUPQGHWKTRQV-OAHLLOKOSA-N 1 3 322.449 2.334 20 10 DECDHO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769517104 641255302 /nfs/dbraw/zinc/25/53/02/641255302.db2.gz YPLUPQGHWKTRQV-OAHLLOKOSA-N 1 3 322.449 2.334 20 10 DECDHO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)C1CCNCC1 ZINC000843044053 650875697 /nfs/dbraw/zinc/87/56/97/650875697.db2.gz BORFYFMEEWNSTN-UHFFFAOYSA-N 1 3 308.422 2.373 20 10 DECDHO CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)C1CCNCC1 ZINC000843044053 650875699 /nfs/dbraw/zinc/87/56/99/650875699.db2.gz BORFYFMEEWNSTN-UHFFFAOYSA-N 1 3 308.422 2.373 20 10 DECDHO CCOc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)c([O-])c1 ZINC000843056746 650879424 /nfs/dbraw/zinc/87/94/24/650879424.db2.gz YSJIYXOLWKOVSX-UHFFFAOYSA-N 1 3 308.422 2.121 20 10 DECDHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000817894555 647374060 /nfs/dbraw/zinc/37/40/60/647374060.db2.gz MLIXDMIZARINDL-CRAIPNDOSA-N 1 3 303.450 2.001 20 10 DECDHO C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2)CC1 ZINC000834581863 649819278 /nfs/dbraw/zinc/81/92/78/649819278.db2.gz OCENHPAGRRAFNO-RDJZCZTQSA-N 1 3 315.461 2.138 20 10 DECDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846139928 651310486 /nfs/dbraw/zinc/31/04/86/651310486.db2.gz BPKMKSJVQFKCQX-LSDHHAIUSA-N 1 3 321.465 2.077 20 10 DECDHO CCc1cccc(C[NH2+]CCCN2CCN(CC)CC2)c1O ZINC000848898936 651551233 /nfs/dbraw/zinc/55/12/33/651551233.db2.gz ALDHLZWPGIQPGJ-UHFFFAOYSA-N 1 3 305.466 2.072 20 10 DECDHO COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CCCCN3)C2)cc1 ZINC000854217683 652659593 /nfs/dbraw/zinc/65/95/93/652659593.db2.gz OPLGFWJTGFLPQW-VKJFTORMSA-N 1 3 303.450 2.394 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+](CC)CCOC)cc2)CC1 ZINC001140300079 796503195 /nfs/dbraw/zinc/50/31/95/796503195.db2.gz LPMWUNMFIPSMGJ-UHFFFAOYSA-N 1 3 305.466 2.297 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+](CC)CCOC)cc2)CC1 ZINC001140300079 796503199 /nfs/dbraw/zinc/50/31/99/796503199.db2.gz LPMWUNMFIPSMGJ-UHFFFAOYSA-N 1 3 305.466 2.297 20 10 DECDHO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)N(C)C1CC1 ZINC001620781820 1066726857 /nfs/dbraw/zinc/72/68/57/1066726857.db2.gz VIVGWICWBTUGKC-INIZCTEOSA-N 1 3 316.493 2.011 20 10 DECDHO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1OC ZINC001276790874 1083613353 /nfs/dbraw/zinc/61/33/53/1083613353.db2.gz VWRTWBUYFRJPBF-SFHVURJKSA-N 1 3 320.433 2.327 20 10 DECDHO COc1cc(O)c(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1OC ZINC001276790874 1083613358 /nfs/dbraw/zinc/61/33/58/1083613358.db2.gz VWRTWBUYFRJPBF-SFHVURJKSA-N 1 3 320.433 2.327 20 10 DECDHO CCc1ccc(CN2CCN(CCC[NH+](C)C)CC2)c(O)c1 ZINC001236794808 1138430099 /nfs/dbraw/zinc/43/00/99/1138430099.db2.gz OYKYTNMXMIBCPY-UHFFFAOYSA-N 1 3 305.466 2.024 20 10 DECDHO C[C@@H](CC[NH+](C)C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001308234055 1147457257 /nfs/dbraw/zinc/45/72/57/1147457257.db2.gz OSEAMXOYYPNYMW-HNNXBMFYSA-N 1 3 322.472 2.007 20 10 DECDHO C[C@@H](CCN(C)C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001308234055 1147457267 /nfs/dbraw/zinc/45/72/67/1147457267.db2.gz OSEAMXOYYPNYMW-HNNXBMFYSA-N 1 3 322.472 2.007 20 10 DECDHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)ccc1[O-] ZINC000185415087 402351335 /nfs/dbraw/zinc/35/13/35/402351335.db2.gz ICLOUKXZQBXZCZ-UKRRQHHQSA-N 1 3 310.413 2.419 20 10 DECDHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1[O-] ZINC000185415087 402351338 /nfs/dbraw/zinc/35/13/38/402351338.db2.gz ICLOUKXZQBXZCZ-UKRRQHHQSA-N 1 3 310.413 2.419 20 10 DECDHO [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000178955284 402558917 /nfs/dbraw/zinc/55/89/17/402558917.db2.gz AHYFLXPFFDKWTP-KRWDZBQOSA-N 1 3 304.434 2.373 20 10 DECDHO [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000178955284 402558919 /nfs/dbraw/zinc/55/89/19/402558919.db2.gz AHYFLXPFFDKWTP-KRWDZBQOSA-N 1 3 304.434 2.373 20 10 DECDHO CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1[O-] ZINC000156225795 522834156 /nfs/dbraw/zinc/83/41/56/522834156.db2.gz UONGXBAODIAVPM-QGZVFWFLSA-N 1 3 305.466 2.459 20 10 DECDHO C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1[O-] ZINC000841762462 650559195 /nfs/dbraw/zinc/55/91/95/650559195.db2.gz JPPOKNDXZJGQTL-QWHCGFSZSA-N 1 3 311.857 2.332 20 10 DECDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185021742 649423032 /nfs/dbraw/zinc/42/30/32/649423032.db2.gz BHFYABCGZONVJY-CVEARBPZSA-N 1 3 305.466 2.377 20 10 DECDHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000848717304 651497131 /nfs/dbraw/zinc/49/71/31/651497131.db2.gz QURVFIPTJLZWOH-LSDHHAIUSA-N 1 3 321.440 2.146 20 10 DECDHO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc2c(s1)CNCC2 ZINC000853245778 652529195 /nfs/dbraw/zinc/52/91/95/652529195.db2.gz CPUJJMYKQIZODZ-UHFFFAOYSA-N 1 3 314.458 2.200 20 10 DECDHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876731116 689919181 /nfs/dbraw/zinc/91/91/81/689919181.db2.gz NMUMIDDFKPVXGC-QGZVFWFLSA-N 1 3 317.477 2.031 20 10 DECDHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876731116 689919184 /nfs/dbraw/zinc/91/91/84/689919184.db2.gz NMUMIDDFKPVXGC-QGZVFWFLSA-N 1 3 317.477 2.031 20 10 DECDHO COc1cc(CN(C)C[C@@H]2CCCCO2)cc(C[NH+](C)C)c1O ZINC001139257171 796350303 /nfs/dbraw/zinc/35/03/03/796350303.db2.gz UGJPHYMRNPXPMP-INIZCTEOSA-N 1 3 322.449 2.463 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](C(C)=O)C3)cc2)CC1 ZINC001140309603 796504589 /nfs/dbraw/zinc/50/45/89/796504589.db2.gz NHPWHAHWFKLRRD-SFHVURJKSA-N 1 3 315.461 2.239 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](C(C)=O)C3)cc2)CC1 ZINC001140309603 796504596 /nfs/dbraw/zinc/50/45/96/796504596.db2.gz NHPWHAHWFKLRRD-SFHVURJKSA-N 1 3 315.461 2.239 20 10 DECDHO [NH3+]CC1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001205053896 800291771 /nfs/dbraw/zinc/29/17/71/800291771.db2.gz TZIAHHVARDGKKJ-UHFFFAOYSA-N 1 3 323.868 2.347 20 10 DECDHO Cc1c(CN2CCCC[C@](O)(C[NH3+])C2)c2ccccc2n1C ZINC001205673971 800399379 /nfs/dbraw/zinc/39/93/79/800399379.db2.gz WUXWLKCCECZVKT-SFHVURJKSA-N 1 3 301.434 2.162 20 10 DECDHO Cc1cc(C)c(CN2CCN(CCC[NH+](C)C)CC2)c(O)c1 ZINC001231847322 801736022 /nfs/dbraw/zinc/73/60/22/801736022.db2.gz WMYJCUDQKQWJEL-UHFFFAOYSA-N 1 3 305.466 2.078 20 10 DECDHO C[NH+](C)CCN1CCN(Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235676746 1084496167 /nfs/dbraw/zinc/49/61/67/1084496167.db2.gz SUWKAHJYAPDCTN-UHFFFAOYSA-N 1 3 319.493 2.369 20 10 DECDHO COc1cc(O)c(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000160453270 522774729 /nfs/dbraw/zinc/77/47/29/522774729.db2.gz LVONGKVPIYCIIE-UKRRQHHQSA-N 1 3 320.433 2.326 20 10 DECDHO COc1cc(O)c(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000160453270 522774736 /nfs/dbraw/zinc/77/47/36/522774736.db2.gz LVONGKVPIYCIIE-UKRRQHHQSA-N 1 3 320.433 2.326 20 10 DECDHO CC[NH+]1CCC(N(C)Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891560163 624478365 /nfs/dbraw/zinc/47/83/65/624478365.db2.gz CLLIHCGBCIXPNT-UHFFFAOYSA-N 1 3 308.422 2.326 20 10 DECDHO COCC[NH+]1CCC(NCc2ccc3c(c2)CCCO3)CC1 ZINC000921596632 633743124 /nfs/dbraw/zinc/74/31/24/633743124.db2.gz YYHBBMJHMODNGU-UHFFFAOYSA-N 1 3 304.434 2.212 20 10 DECDHO COc1cc(Br)cc(C[NH2+][C@@H](C)CCC[NH3+])c1[O-] ZINC000841078969 650424015 /nfs/dbraw/zinc/42/40/15/650424015.db2.gz GDDMQTAIXZPZNL-VIFPVBQESA-N 1 3 317.227 2.380 20 10 DECDHO CCCN(CCC)c1ccc(CN2CCNCC[NH2+]CC2)cc1 ZINC000904398753 643664730 /nfs/dbraw/zinc/66/47/30/643664730.db2.gz SHSHMZBVHXFMOK-UHFFFAOYSA-N 1 3 318.509 2.308 20 10 DECDHO CC[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1ccccc1O ZINC000155143458 648196599 /nfs/dbraw/zinc/19/65/99/648196599.db2.gz PUPJIRNZFHIGGL-DOTOQJQBSA-N 1 3 305.466 2.459 20 10 DECDHO C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000854231906 652662605 /nfs/dbraw/zinc/66/26/05/652662605.db2.gz OYWHQJSXMYBFNC-AWEZNQCLSA-N 1 3 319.449 2.033 20 10 DECDHO N[C@@H]1CCCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000873214427 689185175 /nfs/dbraw/zinc/18/51/75/689185175.db2.gz FJGQWPRQHBIZOF-QGZVFWFLSA-N 1 3 303.450 2.227 20 10 DECDHO N[C@@H]1CCCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000873214427 689185177 /nfs/dbraw/zinc/18/51/77/689185177.db2.gz FJGQWPRQHBIZOF-QGZVFWFLSA-N 1 3 303.450 2.227 20 10 DECDHO CCOc1ccc(O)c(CNC2(CCOC)CC[NH2+]CC2)c1 ZINC000873224542 689188028 /nfs/dbraw/zinc/18/80/28/689188028.db2.gz FHSPFOCYMMSGPV-UHFFFAOYSA-N 1 3 308.422 2.039 20 10 DECDHO COc1ccc(O)c([C@H](C)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000925784462 693341956 /nfs/dbraw/zinc/34/19/56/693341956.db2.gz RUSCCOCIJPCFRI-QWRGUYRKSA-N 1 3 300.349 2.296 20 10 DECDHO C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(F)cc1[O-] ZINC000925844920 693352372 /nfs/dbraw/zinc/35/23/72/693352372.db2.gz NMWMEBFSSGPBQI-AWEZNQCLSA-N 1 3 309.429 2.257 20 10 DECDHO COc1cc(CN2CCC[C@H](C)[C@@H]2CO)cc(C[NH+](C)C)c1O ZINC001139253132 796349422 /nfs/dbraw/zinc/34/94/22/796349422.db2.gz MZANDNWOWFZIPG-BBRMVZONSA-N 1 3 322.449 2.055 20 10 DECDHO CCN1CCN(c2ccc(C[NH+]3CCC(C)(O)CC3)cc2)CC1 ZINC001140301086 796503781 /nfs/dbraw/zinc/50/37/81/796503781.db2.gz YMJKEWYFWZGRNG-UHFFFAOYSA-N 1 3 317.477 2.175 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCOC[C@H](C)C3)cc2)CC1 ZINC001140301893 796504064 /nfs/dbraw/zinc/50/40/64/796504064.db2.gz CKWMNIABCREUHS-QGZVFWFLSA-N 1 3 317.477 2.297 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCOC[C@H](C)C3)cc2)CC1 ZINC001140301893 796504068 /nfs/dbraw/zinc/50/40/68/796504068.db2.gz CKWMNIABCREUHS-QGZVFWFLSA-N 1 3 317.477 2.297 20 10 DECDHO CCN1CCN(c2ccc(C[NH+]3CC([C@@H](C)OC)C3)cc2)CC1 ZINC001140309797 796505122 /nfs/dbraw/zinc/50/51/22/796505122.db2.gz UYEMFWWYXWCNBO-MRXNPFEDSA-N 1 3 317.477 2.295 20 10 DECDHO Cc1cc(N2CCN(Cc3ccc(O)c(C)c3O)CC2)cc[nH+]1 ZINC001140749851 796567511 /nfs/dbraw/zinc/56/75/11/796567511.db2.gz OFRXKGZDCHVPGD-UHFFFAOYSA-N 1 3 313.401 2.432 20 10 DECDHO CC(C)c1ccc(CN2CC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276814985 1083626692 /nfs/dbraw/zinc/62/66/92/1083626692.db2.gz MWBDNSGBWUIHSY-UHFFFAOYSA-N 1 3 317.477 2.195 20 10 DECDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@@]1(O)CCCNC1 ZINC001246015776 1140846043 /nfs/dbraw/zinc/84/60/43/1140846043.db2.gz XJTPHXGIKHJNBE-IEBWSBKVSA-N 1 3 318.461 2.337 20 10 DECDHO C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000185352960 402346468 /nfs/dbraw/zinc/34/64/68/402346468.db2.gz KXVPWRPHYKJUNN-AWEZNQCLSA-N 1 3 323.456 2.456 20 10 DECDHO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000268994932 403122547 /nfs/dbraw/zinc/12/25/47/403122547.db2.gz NGZWTUTUDOFIAP-OAHLLOKOSA-N 1 3 305.466 2.250 20 10 DECDHO CN(C)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000375774412 337019300 /nfs/dbraw/zinc/01/93/00/337019300.db2.gz BRKAFRHUSJYOMY-SFHVURJKSA-N 1 3 317.477 2.439 20 10 DECDHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000375774412 337019301 /nfs/dbraw/zinc/01/93/01/337019301.db2.gz BRKAFRHUSJYOMY-SFHVURJKSA-N 1 3 317.477 2.439 20 10 DECDHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756606148 639678884 /nfs/dbraw/zinc/67/88/84/639678884.db2.gz VUACRQCYWJWDPQ-DGCLKSJQSA-N 1 3 308.397 2.126 20 10 DECDHO CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769517102 641254549 /nfs/dbraw/zinc/25/45/49/641254549.db2.gz YPLUPQGHWKTRQV-HNNXBMFYSA-N 1 3 322.449 2.334 20 10 DECDHO CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769517102 641254552 /nfs/dbraw/zinc/25/45/52/641254552.db2.gz YPLUPQGHWKTRQV-HNNXBMFYSA-N 1 3 322.449 2.334 20 10 DECDHO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000902517398 643062416 /nfs/dbraw/zinc/06/24/16/643062416.db2.gz LNNZAWXERBTIMP-LZQZEXGQSA-N 1 3 318.509 2.476 20 10 DECDHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817892847 647373470 /nfs/dbraw/zinc/37/34/70/647373470.db2.gz DCZWLLIHMRQKSR-PBHICJAKSA-N 1 3 321.440 2.004 20 10 DECDHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000817894558 647373920 /nfs/dbraw/zinc/37/39/20/647373920.db2.gz MLIXDMIZARINDL-YJBOKZPZSA-N 1 3 303.450 2.001 20 10 DECDHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965108 647395794 /nfs/dbraw/zinc/39/57/94/647395794.db2.gz PQYPGOQVKJLICK-ZDUSSCGKSA-N 1 3 307.413 2.194 20 10 DECDHO COc1cc(O)c(CN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000872252095 688964764 /nfs/dbraw/zinc/96/47/64/688964764.db2.gz PBQLQGRMZFVXGS-CYBMUJFWSA-N 1 3 308.422 2.277 20 10 DECDHO CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879648617 690699161 /nfs/dbraw/zinc/69/91/61/690699161.db2.gz WJVRARIJXNVMDW-CQSZACIVSA-N 1 3 319.449 2.032 20 10 DECDHO CC[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000925764352 693337324 /nfs/dbraw/zinc/33/73/24/693337324.db2.gz YSINMGLEOCXBIQ-MOPGFXCFSA-N 1 3 316.493 2.059 20 10 DECDHO COc1cc(CN2CCC[C@H](C)[C@H]2CO)cc(C[NH+](C)C)c1O ZINC001139253135 796349095 /nfs/dbraw/zinc/34/90/95/796349095.db2.gz MZANDNWOWFZIPG-XJKSGUPXSA-N 1 3 322.449 2.055 20 10 DECDHO COc1cc(CN2CC[C@]3(CCCO3)C2)cc(C[NH+](C)C)c1O ZINC001139255701 796349980 /nfs/dbraw/zinc/34/99/80/796349980.db2.gz ROWKVGMTWSRTPA-GOSISDBHSA-N 1 3 320.433 2.217 20 10 DECDHO COc1cc(CN2CC[C@@H](C)[C@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139254575 796350408 /nfs/dbraw/zinc/35/04/08/796350408.db2.gz ITYVAKKUVZEGHA-FZKQIMNGSA-N 1 3 322.449 2.055 20 10 DECDHO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@](O)(CN)C2)cc1 ZINC001205666072 797733166 /nfs/dbraw/zinc/73/31/66/797733166.db2.gz ZKZWCTNBWGYCEB-SFHVURJKSA-N 1 3 305.466 2.209 20 10 DECDHO CCN(CC)c1ccc(C[N@H+]2CCCC[C@](O)(CN)C2)cc1 ZINC001205666072 797733170 /nfs/dbraw/zinc/73/31/70/797733170.db2.gz ZKZWCTNBWGYCEB-SFHVURJKSA-N 1 3 305.466 2.209 20 10 DECDHO CCN(CC)c1ccc(CN2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205666072 797733173 /nfs/dbraw/zinc/73/31/73/797733173.db2.gz ZKZWCTNBWGYCEB-SFHVURJKSA-N 1 3 305.466 2.209 20 10 DECDHO [NH3+]CC1CC[NH+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001205053523 800290307 /nfs/dbraw/zinc/29/03/07/800290307.db2.gz OLNDLXFYDCWFEM-UHFFFAOYSA-N 1 3 304.312 2.462 20 10 DECDHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001576116888 1066497291 /nfs/dbraw/zinc/49/72/91/1066497291.db2.gz BNCGLWWZNZBTES-DOTOQJQBSA-N 1 3 317.477 2.207 20 10 DECDHO CCCCN(Cc1c(C[NH3+])cnn1C)Cc1ccccc1O ZINC001577457562 1066848337 /nfs/dbraw/zinc/84/83/37/1066848337.db2.gz ATBIHILPXHVWKL-UHFFFAOYSA-N 1 3 302.422 2.387 20 10 DECDHO COc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC000268418512 403081606 /nfs/dbraw/zinc/08/16/06/403081606.db2.gz KOFQOBGNYXRCKA-UHFFFAOYSA-N 1 3 306.450 2.329 20 10 DECDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185022334 625355875 /nfs/dbraw/zinc/35/58/75/625355875.db2.gz DCSBAPCJKFEDKT-JKSUJKDBSA-N 1 3 305.466 2.377 20 10 DECDHO COc1ccc(C[NH2+]CC[C@@H](C)N(C)C)cc1Cn1cccn1 ZINC000895290723 637894316 /nfs/dbraw/zinc/89/43/16/637894316.db2.gz SDCRLVGSPSOBTB-OAHLLOKOSA-N 1 3 316.449 2.370 20 10 DECDHO C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000841033112 650410135 /nfs/dbraw/zinc/41/01/35/650410135.db2.gz KVQFSDWLCRICID-NVXWUHKLSA-N 1 3 303.450 2.001 20 10 DECDHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517423 643062211 /nfs/dbraw/zinc/06/22/11/643062211.db2.gz MEBIBJGBYSZLND-BMGDILEWSA-N 1 3 304.482 2.085 20 10 DECDHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843051026 650877848 /nfs/dbraw/zinc/87/78/48/650877848.db2.gz DENGXNDNURXTNG-RDJZCZTQSA-N 1 3 303.450 2.082 20 10 DECDHO COc1ccc(N2CCCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000843060024 650881031 /nfs/dbraw/zinc/88/10/31/650881031.db2.gz ANCIHLUFRKTXDX-INIZCTEOSA-N 1 3 303.450 2.207 20 10 DECDHO COc1cc(Br)cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1[O-] ZINC000843128175 650901788 /nfs/dbraw/zinc/90/17/88/650901788.db2.gz IJEMNIOPPDPZBF-RKDXNWHRSA-N 1 3 317.227 2.379 20 10 DECDHO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000850502178 651940810 /nfs/dbraw/zinc/94/08/10/651940810.db2.gz SNNABYOWUXPYQC-HOCLYGCPSA-N 1 3 305.466 2.241 20 10 DECDHO [NH3+][C@H]1CCC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000854230212 652661880 /nfs/dbraw/zinc/66/18/80/652661880.db2.gz JVCAOJNNTAEVGN-HOTGVXAUSA-N 1 3 303.450 2.007 20 10 DECDHO COCC[N@@H+](Cc1cc(F)ccc1[O-])CC1CC[NH+](C)CC1 ZINC000877664818 690182830 /nfs/dbraw/zinc/18/28/30/690182830.db2.gz YBWGVYRKWXQJPY-UHFFFAOYSA-N 1 3 310.413 2.322 20 10 DECDHO COCC[N@H+](Cc1cc(F)ccc1[O-])CC1CC[NH+](C)CC1 ZINC000877664818 690182831 /nfs/dbraw/zinc/18/28/31/690182831.db2.gz YBWGVYRKWXQJPY-UHFFFAOYSA-N 1 3 310.413 2.322 20 10 DECDHO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c([O-])c1 ZINC000925855590 693355013 /nfs/dbraw/zinc/35/50/13/693355013.db2.gz KYNGIUOJPIWINR-KGLIPLIRSA-N 1 3 318.417 2.037 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+](CC)CC(C)(C)O)cc2)CC1 ZINC001140306466 777046650 /nfs/dbraw/zinc/04/66/50/777046650.db2.gz SQIUUMGUNUJFED-UHFFFAOYSA-N 1 3 319.493 2.421 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+](CC)CC(C)(C)O)cc2)CC1 ZINC001140306466 777046652 /nfs/dbraw/zinc/04/66/52/777046652.db2.gz SQIUUMGUNUJFED-UHFFFAOYSA-N 1 3 319.493 2.421 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3COC)cc2)CC1 ZINC001140299619 796503352 /nfs/dbraw/zinc/50/33/52/796503352.db2.gz CECQPRUVSWRORF-IBGZPJMESA-N 1 3 317.477 2.439 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H]3COC)cc2)CC1 ZINC001140299619 796503355 /nfs/dbraw/zinc/50/33/55/796503355.db2.gz CECQPRUVSWRORF-IBGZPJMESA-N 1 3 317.477 2.439 20 10 DECDHO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCCCN3C)cc2)CC1 ZINC001474289291 1060842723 /nfs/dbraw/zinc/84/27/23/1060842723.db2.gz ULDYUDIRGDZKCC-IBGZPJMESA-N 1 3 316.493 2.012 20 10 DECDHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001650764130 1079771952 /nfs/dbraw/zinc/77/19/52/1079771952.db2.gz XVWLIFTWRVZWPF-QZTJIDSGSA-N 1 3 316.445 2.089 20 10 DECDHO Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@H](O)C[NH+]1CCCC1 ZINC001321022780 1141032267 /nfs/dbraw/zinc/03/22/67/1141032267.db2.gz IMVUGEJGJMAWNM-RBSFLKMASA-N 1 3 304.434 2.295 20 10 DECDHO C[NH+]1CCC(CCO)(NCc2ccc(N3CCCC3)cc2)CC1 ZINC001326848139 1148269442 /nfs/dbraw/zinc/26/94/42/1148269442.db2.gz WVLOJWZAEQUFFG-UHFFFAOYSA-N 1 3 317.477 2.223 20 10 DECDHO Cc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c([O-])c1 ZINC000185648067 402366907 /nfs/dbraw/zinc/36/69/07/402366907.db2.gz ULEKGCONVXWEJF-OAHLLOKOSA-N 1 3 305.466 2.377 20 10 DECDHO CCN(C)c1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000268994931 403122534 /nfs/dbraw/zinc/12/25/34/403122534.db2.gz NGZWTUTUDOFIAP-HNNXBMFYSA-N 1 3 305.466 2.250 20 10 DECDHO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282192080 403130766 /nfs/dbraw/zinc/13/07/66/403130766.db2.gz GIPJBACUUHOJGV-CQSZACIVSA-N 1 3 321.465 2.077 20 10 DECDHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3[O-])C2)[C@H]1C(C)C ZINC000922392866 636154785 /nfs/dbraw/zinc/15/47/85/636154785.db2.gz OIKZQYRESWDGIL-OWYHZJEWSA-N 1 3 318.461 2.352 20 10 DECDHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3[O-])C2)[C@H]1C(C)C ZINC000922392866 636154789 /nfs/dbraw/zinc/15/47/89/636154789.db2.gz OIKZQYRESWDGIL-OWYHZJEWSA-N 1 3 318.461 2.352 20 10 DECDHO CN(C)c1ccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000902518700 643063365 /nfs/dbraw/zinc/06/33/65/643063365.db2.gz TZYVUBSEGGPZAM-JZXOWHBKSA-N 1 3 304.482 2.215 20 10 DECDHO CN(C)c1ccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000902518701 643063533 /nfs/dbraw/zinc/06/35/33/643063533.db2.gz TZYVUBSEGGPZAM-NUJGCVRESA-N 1 3 304.482 2.215 20 10 DECDHO COc1ccc(N2CC[C@H](NC[C@@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000904376840 643654122 /nfs/dbraw/zinc/65/41/22/643654122.db2.gz GEPZBLYDBDSADA-YJBOKZPZSA-N 1 3 303.450 2.253 20 10 DECDHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889382 647372124 /nfs/dbraw/zinc/37/21/24/647372124.db2.gz UFABPXVTKUBPAQ-SJORKVTESA-N 1 3 321.440 2.412 20 10 DECDHO C[N@@H+]1CCC[C@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877027016 690001365 /nfs/dbraw/zinc/00/13/65/690001365.db2.gz IPIJSNTVYSWPKQ-QGZVFWFLSA-N 1 3 317.477 2.079 20 10 DECDHO C[N@H+]1CCC[C@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877027016 690001367 /nfs/dbraw/zinc/00/13/67/690001367.db2.gz IPIJSNTVYSWPKQ-QGZVFWFLSA-N 1 3 317.477 2.079 20 10 DECDHO C[NH+]1CCC2(CN(Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC001138499658 796228508 /nfs/dbraw/zinc/22/85/08/796228508.db2.gz XVYJNXNGVKMXPD-UHFFFAOYSA-N 1 3 315.461 2.051 20 10 DECDHO COC[C@@H]1CCCCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139254312 796349810 /nfs/dbraw/zinc/34/98/10/796349810.db2.gz GGIJAXGJSLOKLT-INIZCTEOSA-N 1 3 322.449 2.463 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](O)CC3)cc2)CC1 ZINC001140302011 796503033 /nfs/dbraw/zinc/50/30/33/796503033.db2.gz HHOJSZGSDWFEKN-IBGZPJMESA-N 1 3 317.477 2.175 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](O)CC3)cc2)CC1 ZINC001140302011 796503039 /nfs/dbraw/zinc/50/30/39/796503039.db2.gz HHOJSZGSDWFEKN-IBGZPJMESA-N 1 3 317.477 2.175 20 10 DECDHO CC[C@H]1CN(Cc2ccc(N3CCN(CC)CC3)cc2)CC[NH2+]1 ZINC001235730857 1084514521 /nfs/dbraw/zinc/51/45/21/1084514521.db2.gz SNZSDNMFAKEGMZ-SFHVURJKSA-N 1 3 316.493 2.012 20 10 DECDHO COc1cc(C[N@@H+]2CCC[C@]3(CCCN(C)C3)C2)c(O)cc1O ZINC001276091004 1091536146 /nfs/dbraw/zinc/53/61/46/1091536146.db2.gz HSKAPHJTXCLSFB-SFHVURJKSA-N 1 3 320.433 2.414 20 10 DECDHO COc1cc(C[N@H+]2CCC[C@]3(CCCN(C)C3)C2)c(O)cc1O ZINC001276091004 1091536160 /nfs/dbraw/zinc/53/61/60/1091536160.db2.gz HSKAPHJTXCLSFB-SFHVURJKSA-N 1 3 320.433 2.414 20 10 DECDHO CC[NH+](CC)CCN1CCN(Cc2c(C)cccc2O)CC1 ZINC001237483938 1138652606 /nfs/dbraw/zinc/65/26/06/1138652606.db2.gz WFHDABKLTBNKGN-UHFFFAOYSA-N 1 3 305.466 2.160 20 10 DECDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@H](O)C[NH+]1CCCC1 ZINC001321022773 1141031857 /nfs/dbraw/zinc/03/18/57/1141031857.db2.gz IMVUGEJGJMAWNM-ILXRZTDVSA-N 1 3 304.434 2.295 20 10 DECDHO CN1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001255475700 1143652980 /nfs/dbraw/zinc/65/29/80/1143652980.db2.gz TYKFVLSZUAADBX-QGZVFWFLSA-N 1 3 303.450 2.040 20 10 DECDHO C[N@H+](Cc1ccccc1O)C1CCC(N2CCOCC2)CC1 ZINC001256695758 1143862981 /nfs/dbraw/zinc/86/29/81/1143862981.db2.gz LYZSXEHXXNIYNI-UHFFFAOYSA-N 1 3 304.434 2.467 20 10 DECDHO C[N@@H+](Cc1ccccc1O)C1CCC(N2CCOCC2)CC1 ZINC001256695758 1143862982 /nfs/dbraw/zinc/86/29/82/1143862982.db2.gz LYZSXEHXXNIYNI-UHFFFAOYSA-N 1 3 304.434 2.467 20 10 DECDHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185014092 402317483 /nfs/dbraw/zinc/31/74/83/402317483.db2.gz YWIZKRHEYHLCOU-MRXNPFEDSA-N 1 3 305.466 2.379 20 10 DECDHO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3CN)CC2)cc1 ZINC000841030919 650409557 /nfs/dbraw/zinc/40/95/57/650409557.db2.gz PCFAJFSNKWZXSL-KBXCAEBGSA-N 1 3 303.450 2.381 20 10 DECDHO COc1cccc([O-])c1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000841103810 650432289 /nfs/dbraw/zinc/43/22/89/650432289.db2.gz KCQOLKKMKJGCPQ-KDOFPFPSSA-N 1 3 320.433 2.119 20 10 DECDHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517424 643062675 /nfs/dbraw/zinc/06/26/75/643062675.db2.gz MEBIBJGBYSZLND-JCGIZDLHSA-N 1 3 304.482 2.085 20 10 DECDHO CN(C)c1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000902518653 643063200 /nfs/dbraw/zinc/06/32/00/643063200.db2.gz SGOPJUMKYKHEHT-SUTQANCOSA-N 1 3 316.493 2.228 20 10 DECDHO CC[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000902518679 643063413 /nfs/dbraw/zinc/06/34/13/643063413.db2.gz SNWYBSKNFUVNJJ-QYZOEREBSA-N 1 3 318.509 2.476 20 10 DECDHO COc1ccc(N2CC[C@H](CN[C@@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000818616400 647489156 /nfs/dbraw/zinc/48/91/56/647489156.db2.gz WDQPIVYHIUBPKL-HDMKZQKVSA-N 1 3 303.450 2.109 20 10 DECDHO Cc1cc([O-])c(CN(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000825916674 648826710 /nfs/dbraw/zinc/82/67/10/648826710.db2.gz SMJKCJQNAKFILW-UHFFFAOYSA-N 1 3 313.873 2.279 20 10 DECDHO [NH3+][C@H]1CCC[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000848717302 651497201 /nfs/dbraw/zinc/49/72/01/651497201.db2.gz QURVFIPTJLZWOH-GJZGRUSLSA-N 1 3 321.440 2.146 20 10 DECDHO CCc1cccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1O ZINC000848908765 651554811 /nfs/dbraw/zinc/55/48/11/651554811.db2.gz CWTJLCPWVYWTES-UHFFFAOYSA-N 1 3 305.466 2.070 20 10 DECDHO Cc1cc(N(C)C)ccc1C[C@H](C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000863558075 686522291 /nfs/dbraw/zinc/52/22/91/686522291.db2.gz VMDMBCBRVXUKDF-QFBILLFUSA-N 1 3 319.493 2.038 20 10 DECDHO C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)ccc1[O-] ZINC000873294734 689204251 /nfs/dbraw/zinc/20/42/51/689204251.db2.gz YXVLLQBGBMWXBA-TZMCWYRMSA-N 1 3 308.397 2.341 20 10 DECDHO CCN1CCN(c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC001140301810 777042913 /nfs/dbraw/zinc/04/29/13/777042913.db2.gz AALDCQPVVVXROP-UHFFFAOYSA-N 1 3 317.477 2.033 20 10 DECDHO C[NH+](C)CCN1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001231878286 801742547 /nfs/dbraw/zinc/74/25/47/801742547.db2.gz GRNBLDDIHAZDNG-UHFFFAOYSA-N 1 3 313.445 2.225 20 10 DECDHO COc1ccc(CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(O)c1OC ZINC001342961994 1150636713 /nfs/dbraw/zinc/63/67/13/1150636713.db2.gz WLSCPDLAEHNSMM-ZIAGYGMSSA-N 1 3 308.422 2.372 20 10 DECDHO CN1CCN(c2ccc(CN[C@H](C[NH3+])C(C)(C)C)cc2F)CC1 ZINC001328682464 1148824087 /nfs/dbraw/zinc/82/40/87/1148824087.db2.gz VAZFVHWVYGYJEO-QGZVFWFLSA-N 1 3 322.472 2.041 20 10 DECDHO CN1CCN(c2ccc(C[NH2+][C@H](CN)C(C)(C)C)cc2F)CC1 ZINC001328682464 1148824089 /nfs/dbraw/zinc/82/40/89/1148824089.db2.gz VAZFVHWVYGYJEO-QGZVFWFLSA-N 1 3 322.472 2.041 20 10 DECDHO CCN1CCN(c2ccc(O[C@H]3CC[N@H+](CC)C3)cc2)CC1 ZINC001234658033 1084190398 /nfs/dbraw/zinc/19/03/98/1084190398.db2.gz RGQWSEVOLQUDLD-SFHVURJKSA-N 1 3 303.450 2.302 20 10 DECDHO CCN1CCN(c2ccc(O[C@H]3CC[N@@H+](CC)C3)cc2)CC1 ZINC001234658033 1084190406 /nfs/dbraw/zinc/19/04/06/1084190406.db2.gz RGQWSEVOLQUDLD-SFHVURJKSA-N 1 3 303.450 2.302 20 10 DECDHO CCN1CCN(c2ccc(CN3C[C@H](C)[NH2+][C@@H](C)C3)cc2)CC1 ZINC001236423232 1138360238 /nfs/dbraw/zinc/36/02/38/1138360238.db2.gz XXROAGFNWLCITE-IRXDYDNUSA-N 1 3 316.493 2.011 20 10 DECDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@H](O)C[NH+]1CCCC1 ZINC001321022776 1141032631 /nfs/dbraw/zinc/03/26/31/1141032631.db2.gz IMVUGEJGJMAWNM-KFWWJZLASA-N 1 3 304.434 2.295 20 10 DECDHO c1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc2c1OCC2 ZINC001256679613 1143861784 /nfs/dbraw/zinc/86/17/84/1143861784.db2.gz OSJDORIVZLGZKU-UHFFFAOYSA-N 1 3 316.445 2.355 20 10 DECDHO CN(C)c1ccc(/C=C/CNCCC[NH+]2CCC(O)CC2)cc1 ZINC000835037837 649869907 /nfs/dbraw/zinc/86/99/07/649869907.db2.gz XRELANRMUGUPMY-HWKANZROSA-N 1 3 317.477 2.202 20 10 DECDHO COCCC[NH+]1CCC(NCc2cc(C)cc(OC)c2O)CC1 ZINC000894214930 636484242 /nfs/dbraw/zinc/48/42/42/636484242.db2.gz LCZVGYBAUNNLHO-UHFFFAOYSA-N 1 3 322.449 2.300 20 10 DECDHO COc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(O)c1OC ZINC000894497347 637069375 /nfs/dbraw/zinc/06/93/75/637069375.db2.gz XTFXBKDBSGZZOM-DZGCQCFKSA-N 1 3 320.433 2.326 20 10 DECDHO COc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(O)c1OC ZINC000894497347 637069378 /nfs/dbraw/zinc/06/93/78/637069378.db2.gz XTFXBKDBSGZZOM-DZGCQCFKSA-N 1 3 320.433 2.326 20 10 DECDHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841029027 650408912 /nfs/dbraw/zinc/40/89/12/650408912.db2.gz DJBHHQJKDORDGU-WBVHZDCISA-N 1 3 321.440 2.269 20 10 DECDHO [O-]c1ccc(Cl)cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841086638 650427031 /nfs/dbraw/zinc/42/70/31/650427031.db2.gz BQWBTGAKYHYLRT-UHFFFAOYSA-N 1 3 323.868 2.352 20 10 DECDHO [O-]c1ccc(Cl)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841086638 650427032 /nfs/dbraw/zinc/42/70/32/650427032.db2.gz BQWBTGAKYHYLRT-UHFFFAOYSA-N 1 3 323.868 2.352 20 10 DECDHO COc1ccc(N2CC[C@H](N[C@@H]3CC[NH2+]CC[C@@H]3C)C2)cc1 ZINC000854217207 652658968 /nfs/dbraw/zinc/65/89/68/652658968.db2.gz KZRYYZOHDBARIG-RLFYNMQTSA-N 1 3 303.450 2.252 20 10 DECDHO COc1cc(CN2CCC3(COC3)CC2)cc(C[NH+](C)C)c1O ZINC001139252984 796349192 /nfs/dbraw/zinc/34/91/92/796349192.db2.gz HRFVSOMWGXYSLP-UHFFFAOYSA-N 1 3 320.433 2.075 20 10 DECDHO COc1cc(CN2CCC[C@H](CCO)C2)cc(C[NH+](C)C)c1O ZINC001139258185 796350509 /nfs/dbraw/zinc/35/05/09/796350509.db2.gz MLTNWQLKINJMGT-CQSZACIVSA-N 1 3 322.449 2.057 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140301998 796503629 /nfs/dbraw/zinc/50/36/29/796503629.db2.gz HBQOIIBNUTVXBD-QFBILLFUSA-N 1 3 317.477 2.031 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140301998 796503634 /nfs/dbraw/zinc/50/36/34/796503634.db2.gz HBQOIIBNUTVXBD-QFBILLFUSA-N 1 3 317.477 2.031 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H]3C[NH2+]CCC34CC4)cc2)CC1 ZINC001218406711 802179239 /nfs/dbraw/zinc/17/92/39/802179239.db2.gz YECXFXHDXUNLBN-GOSISDBHSA-N 1 3 315.461 2.349 20 10 DECDHO C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1[O-] ZINC000368330426 533543662 /nfs/dbraw/zinc/54/36/62/533543662.db2.gz WECIDFWWIGUAJT-HIFRSBDPSA-N 1 3 321.440 2.350 20 10 DECDHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000269069517 286904038 /nfs/dbraw/zinc/90/40/38/286904038.db2.gz WRQNPISWFCUDAJ-QGZVFWFLSA-N 1 3 305.466 2.250 20 10 DECDHO COc1ccc(N2CCC([NH2+][C@@H]3CCNC[C@@H]3C)CC2)cc1 ZINC000841065144 650419690 /nfs/dbraw/zinc/41/96/90/650419690.db2.gz YBXCMUJCHXKZKY-KBXCAEBGSA-N 1 3 303.450 2.252 20 10 DECDHO [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1 ZINC000841104074 650432105 /nfs/dbraw/zinc/43/21/05/650432105.db2.gz NDKKYPGYMNVZAS-DOTOQJQBSA-N 1 3 308.397 2.250 20 10 DECDHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000841058089 641499924 /nfs/dbraw/zinc/49/99/24/641499924.db2.gz PQXJCZMUNHPBLG-LSDHHAIUSA-N 1 3 307.413 2.022 20 10 DECDHO COc1c[nH+]ccc1N1CCN(Cc2cccc(C)c2O)CC1 ZINC000793370057 644241162 /nfs/dbraw/zinc/24/11/62/644241162.db2.gz NJSIJYREAGWQMZ-UHFFFAOYSA-N 1 3 313.401 2.426 20 10 DECDHO CCN(CC)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000817888593 647371314 /nfs/dbraw/zinc/37/13/14/647371314.db2.gz MWEYBGXHTXOLCX-BMGDILEWSA-N 1 3 305.466 2.375 20 10 DECDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[O-])C1 ZINC000844911236 651182247 /nfs/dbraw/zinc/18/22/47/651182247.db2.gz MLVGAEVJZQFVPK-HLLBOEOZSA-N 1 3 308.397 2.392 20 10 DECDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2[O-])C1 ZINC000844911236 651182249 /nfs/dbraw/zinc/18/22/49/651182249.db2.gz MLVGAEVJZQFVPK-HLLBOEOZSA-N 1 3 308.397 2.392 20 10 DECDHO [NH3+]CCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000844912760 651182499 /nfs/dbraw/zinc/18/24/99/651182499.db2.gz XBGUXJOJDOFXHW-UHFFFAOYSA-N 1 3 321.440 2.223 20 10 DECDHO [O-]c1ccccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850344651 651904006 /nfs/dbraw/zinc/90/40/06/651904006.db2.gz RAMSSSLXORFWOS-UHFFFAOYSA-N 1 3 304.434 2.373 20 10 DECDHO CC[NH+]1CCC(NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850565542 651953793 /nfs/dbraw/zinc/95/37/93/651953793.db2.gz GHZOUAGULDSUEF-UHFFFAOYSA-N 1 3 317.477 2.222 20 10 DECDHO Cc1cc(N(C)C)ccc1C[C@H](C)NC[C@H](O)C[NH+]1CCCC1 ZINC000863558074 686522108 /nfs/dbraw/zinc/52/21/08/686522108.db2.gz VMDMBCBRVXUKDF-LPHOPBHVSA-N 1 3 319.493 2.038 20 10 DECDHO COc1cc(CN2C[C@H]3[C@H](CF)[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139258968 796351506 /nfs/dbraw/zinc/35/15/06/796351506.db2.gz CIURYDLGBWLLHB-QKDCVEJESA-N 1 3 308.397 2.110 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](O)C[C@@H]3C)cc2)CC1 ZINC001140304687 796503251 /nfs/dbraw/zinc/50/32/51/796503251.db2.gz YHYSLHGDDLNPSR-LPHOPBHVSA-N 1 3 317.477 2.174 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](O)C[C@@H]3C)cc2)CC1 ZINC001140304687 796503256 /nfs/dbraw/zinc/50/32/56/796503256.db2.gz YHYSLHGDDLNPSR-LPHOPBHVSA-N 1 3 317.477 2.174 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)C[C@@H]3C)cc2)CC1 ZINC001140304688 796504156 /nfs/dbraw/zinc/50/41/56/796504156.db2.gz YHYSLHGDDLNPSR-QFBILLFUSA-N 1 3 317.477 2.174 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](O)C[C@@H]3C)cc2)CC1 ZINC001140304688 796504160 /nfs/dbraw/zinc/50/41/60/796504160.db2.gz YHYSLHGDDLNPSR-QFBILLFUSA-N 1 3 317.477 2.174 20 10 DECDHO CCN1CCC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001462541288 1058849510 /nfs/dbraw/zinc/84/95/10/1058849510.db2.gz CRGQFWPBQUKPLN-GOSISDBHSA-N 1 3 316.493 2.012 20 10 DECDHO CN(C)c1ccc(CN2CCC[C@](O)(C[NH3+])CC2)c(Cl)c1 ZINC001205231165 1084030119 /nfs/dbraw/zinc/03/01/19/1084030119.db2.gz XCZLTXVTGYOYTJ-MRXNPFEDSA-N 1 3 311.857 2.082 20 10 DECDHO CC(C)C[C@H](C[NH3+])NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325321376 1147892493 /nfs/dbraw/zinc/89/24/93/1147892493.db2.gz VWZWDEYXDGUPAZ-MRXNPFEDSA-N 1 3 322.472 2.041 20 10 DECDHO CC(C)C[C@H](CN)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325321376 1147892495 /nfs/dbraw/zinc/89/24/95/1147892495.db2.gz VWZWDEYXDGUPAZ-MRXNPFEDSA-N 1 3 322.472 2.041 20 10 DECDHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000154250757 402201813 /nfs/dbraw/zinc/20/18/13/402201813.db2.gz KAYSYXMEVKZBHO-QGZVFWFLSA-N 1 3 318.509 2.431 20 10 DECDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000185670975 402368519 /nfs/dbraw/zinc/36/85/19/402368519.db2.gz DYVHPLCDFQCIOS-UKRRQHHQSA-N 1 3 310.438 2.408 20 10 DECDHO C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000266145921 533953558 /nfs/dbraw/zinc/95/35/58/533953558.db2.gz IWIGJSKJOYBDGF-NVXWUHKLSA-N 1 3 303.450 2.096 20 10 DECDHO C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000266145921 533953568 /nfs/dbraw/zinc/95/35/68/533953568.db2.gz IWIGJSKJOYBDGF-NVXWUHKLSA-N 1 3 303.450 2.096 20 10 DECDHO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000320198126 637878841 /nfs/dbraw/zinc/87/88/41/637878841.db2.gz HHLANCBZVITKSL-SFHVURJKSA-N 1 3 317.477 2.343 20 10 DECDHO CC(C)[N@H+]1CC[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000320198126 637878845 /nfs/dbraw/zinc/87/88/45/637878845.db2.gz HHLANCBZVITKSL-SFHVURJKSA-N 1 3 317.477 2.343 20 10 DECDHO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3CN)CC2)cc1 ZINC000841030922 650409416 /nfs/dbraw/zinc/40/94/16/650409416.db2.gz PCFAJFSNKWZXSL-RDTXWAMCSA-N 1 3 303.450 2.381 20 10 DECDHO [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1 ZINC000841104076 650432345 /nfs/dbraw/zinc/43/23/45/650432345.db2.gz NDKKYPGYMNVZAS-RDJZCZTQSA-N 1 3 308.397 2.250 20 10 DECDHO C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756606147 639678968 /nfs/dbraw/zinc/67/89/68/639678968.db2.gz VUACRQCYWJWDPQ-AAEUAGOBSA-N 1 3 308.397 2.126 20 10 DECDHO C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841762454 650559023 /nfs/dbraw/zinc/55/90/23/650559023.db2.gz JPPOKNDXZJGQTL-CHWSQXEVSA-N 1 3 311.857 2.332 20 10 DECDHO CCOc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c([O-])c1 ZINC000769383326 641229062 /nfs/dbraw/zinc/22/90/62/641229062.db2.gz HQGQYEKGLVZYEZ-UHFFFAOYSA-N 1 3 322.449 2.334 20 10 DECDHO CN(C)c1ccc([C@H](CN[C@@H]2C[C@@H]([NH3+])C23CCC3)N(C)C)cc1 ZINC000902518370 643062584 /nfs/dbraw/zinc/06/25/84/643062584.db2.gz PWJNKSUGFBQBCK-RCCFBDPRSA-N 1 3 316.493 2.215 20 10 DECDHO CN(C)c1ccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000902518699 643063162 /nfs/dbraw/zinc/06/31/62/643063162.db2.gz TZYVUBSEGGPZAM-BQFCYCMXSA-N 1 3 304.482 2.215 20 10 DECDHO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CNCC2(CCOCC2)C1 ZINC000903969702 643530129 /nfs/dbraw/zinc/53/01/29/643530129.db2.gz JKQQKAPTCREBIR-KRWDZBQOSA-N 1 3 317.477 2.309 20 10 DECDHO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843046163 650876471 /nfs/dbraw/zinc/87/64/71/650876471.db2.gz PAKCEBLVVXIDPJ-APWZRJJASA-N 1 3 316.493 2.140 20 10 DECDHO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000843056383 650879086 /nfs/dbraw/zinc/87/90/86/650879086.db2.gz IOVRKFPDGZEPHF-SFHVURJKSA-N 1 3 305.466 2.328 20 10 DECDHO COc1cc(O)c(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC ZINC000817866071 647369152 /nfs/dbraw/zinc/36/91/52/647369152.db2.gz VXJKTAGGOUZGRL-DYEKYZERSA-N 1 3 308.422 2.215 20 10 DECDHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965481 647395891 /nfs/dbraw/zinc/39/58/91/647395891.db2.gz RMBMMXNUDQVWEW-LRDDRELGSA-N 1 3 307.413 2.050 20 10 DECDHO CC1(C)C[NH2+]CC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000872252551 688964988 /nfs/dbraw/zinc/96/49/88/688964988.db2.gz TYCCFCXNKQVEJE-QGZVFWFLSA-N 1 3 317.477 2.391 20 10 DECDHO COc1cc(C[N@H+](CCCO)C(C)C)cc(C[NH+](C)C)c1[O-] ZINC001139256706 796350093 /nfs/dbraw/zinc/35/00/93/796350093.db2.gz HUEBSZCHQAMCPB-UHFFFAOYSA-N 1 3 310.438 2.055 20 10 DECDHO COc1cc(C[N@@H+](CCCO)C(C)C)cc(C[NH+](C)C)c1[O-] ZINC001139256706 796350097 /nfs/dbraw/zinc/35/00/97/796350097.db2.gz HUEBSZCHQAMCPB-UHFFFAOYSA-N 1 3 310.438 2.055 20 10 DECDHO CN1CC2(C1)CC[NH+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141145399 796640157 /nfs/dbraw/zinc/64/01/57/796640157.db2.gz VNXIYZVZGXJZGQ-UHFFFAOYSA-N 1 3 301.434 2.043 20 10 DECDHO [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001205247835 800330185 /nfs/dbraw/zinc/33/01/85/800330185.db2.gz KBDAVZVTQBTCMY-AWEZNQCLSA-N 1 3 318.339 2.087 20 10 DECDHO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001205247835 800330192 /nfs/dbraw/zinc/33/01/92/800330192.db2.gz KBDAVZVTQBTCMY-AWEZNQCLSA-N 1 3 318.339 2.087 20 10 DECDHO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@](O)(CN)C2)c(O)c1 ZINC001205725190 800408532 /nfs/dbraw/zinc/40/85/32/800408532.db2.gz DBSABESADKABHG-SFHVURJKSA-N 1 3 306.450 2.365 20 10 DECDHO CC(C)(C)c1ccc(C[N@H+]2CCCC[C@](O)(CN)C2)c(O)c1 ZINC001205725190 800408534 /nfs/dbraw/zinc/40/85/34/800408534.db2.gz DBSABESADKABHG-SFHVURJKSA-N 1 3 306.450 2.365 20 10 DECDHO CCN1CCN(c2ccc(O[C@H]3CC[C@@H](C)[NH2+]C3)cc2)CC1 ZINC001218409267 802178982 /nfs/dbraw/zinc/17/89/82/802178982.db2.gz UHAHDKXLRZYOLK-QAPCUYQASA-N 1 3 303.450 2.348 20 10 DECDHO C[NH2+][C@@]12CC[C@@](NCc3cc(OC)c(O)cc3O)(C1)CCC2 ZINC001276091686 1091538657 /nfs/dbraw/zinc/53/86/57/1091538657.db2.gz XDITZLFWHHFSJT-DLBZAZTESA-N 1 3 306.406 2.261 20 10 DECDHO CCN1CCN(c2ccc(CN3C[C@@H](C)[NH2+][C@H](C)C3)cc2)CC1 ZINC001236578057 1138377743 /nfs/dbraw/zinc/37/77/43/1138377743.db2.gz XXROAGFNWLCITE-IAGOWNOFSA-N 1 3 316.493 2.011 20 10 DECDHO Cc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c([O-])c1 ZINC000185648087 402367062 /nfs/dbraw/zinc/36/70/62/402367062.db2.gz ULEKGCONVXWEJF-HNNXBMFYSA-N 1 3 305.466 2.377 20 10 DECDHO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000268801025 403115288 /nfs/dbraw/zinc/11/52/88/403115288.db2.gz BABMFRJQPZFCCN-YJBOKZPZSA-N 1 3 305.466 2.250 20 10 DECDHO C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841762465 650559345 /nfs/dbraw/zinc/55/93/45/650559345.db2.gz JPPOKNDXZJGQTL-STQMWFEESA-N 1 3 311.857 2.332 20 10 DECDHO COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)CC2)cc1 ZINC000902464575 643048625 /nfs/dbraw/zinc/04/86/25/643048625.db2.gz AKWFXMCUVUHQQI-BMGDILEWSA-N 1 3 301.434 2.147 20 10 DECDHO CN(C)c1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1F ZINC000843125218 650900902 /nfs/dbraw/zinc/90/09/02/650900902.db2.gz OGYORJTVHXUFLK-AEFFLSMTSA-N 1 3 321.440 2.220 20 10 DECDHO C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817967492 647395475 /nfs/dbraw/zinc/39/54/75/647395475.db2.gz JMIDOYAWODKPIP-KEYYUXOJSA-N 1 3 321.440 2.311 20 10 DECDHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965480 647395522 /nfs/dbraw/zinc/39/55/22/647395522.db2.gz RMBMMXNUDQVWEW-BLLLJJGKSA-N 1 3 307.413 2.050 20 10 DECDHO C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817967493 647396151 /nfs/dbraw/zinc/39/61/51/647396151.db2.gz JMIDOYAWODKPIP-ZQIUZPCESA-N 1 3 321.440 2.311 20 10 DECDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846139922 651310495 /nfs/dbraw/zinc/31/04/95/651310495.db2.gz BPKMKSJVQFKCQX-CABCVRRESA-N 1 3 321.465 2.077 20 10 DECDHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846139998 651310580 /nfs/dbraw/zinc/31/05/80/651310580.db2.gz XSFDUDMDGKGHGI-OAHLLOKOSA-N 1 3 321.465 2.079 20 10 DECDHO C[C@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1C ZINC000850565788 651953397 /nfs/dbraw/zinc/95/33/97/651953397.db2.gz HZZVGDAOSQHREQ-RDJZCZTQSA-N 1 3 317.477 2.220 20 10 DECDHO C[C@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1C ZINC000850565788 651953401 /nfs/dbraw/zinc/95/34/01/651953401.db2.gz HZZVGDAOSQHREQ-RDJZCZTQSA-N 1 3 317.477 2.220 20 10 DECDHO [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873290912 689203167 /nfs/dbraw/zinc/20/31/67/689203167.db2.gz CBYWWHCNAATRKV-CABCVRRESA-N 1 3 302.418 2.128 20 10 DECDHO CCN1CCN(C[C@H](C)C[NH2+]Cc2c(C)cccc2O)CC1 ZINC000877015836 689997916 /nfs/dbraw/zinc/99/79/16/689997916.db2.gz DAMODJKVXAMZQH-OAHLLOKOSA-N 1 3 305.466 2.064 20 10 DECDHO COc1ccc(O)c([C@@H](C)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000925784460 693341425 /nfs/dbraw/zinc/34/14/25/693341425.db2.gz RUSCCOCIJPCFRI-GHMZBOCLSA-N 1 3 300.349 2.296 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H]3COC)cc2)CC1 ZINC001140309703 796504665 /nfs/dbraw/zinc/50/46/65/796504665.db2.gz RGYFLSPZWLNWKQ-SFHVURJKSA-N 1 3 303.450 2.049 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H]3COC)cc2)CC1 ZINC001140309703 796504678 /nfs/dbraw/zinc/50/46/78/796504678.db2.gz RGYFLSPZWLNWKQ-SFHVURJKSA-N 1 3 303.450 2.049 20 10 DECDHO COc1ccc(N2CC[NH+](C[C@@H]3CCCN(C)C3)CC2)cc1 ZINC001208603294 801026319 /nfs/dbraw/zinc/02/63/19/801026319.db2.gz AHXGWXGEYCHJTH-MRXNPFEDSA-N 1 3 303.450 2.159 20 10 DECDHO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)c([O-])c1 ZINC001236079337 1084606519 /nfs/dbraw/zinc/60/65/19/1084606519.db2.gz RLIOFYLFSLKXHM-QGZVFWFLSA-N 1 3 317.477 2.297 20 10 DECDHO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)c([O-])c1 ZINC001236079337 1084606521 /nfs/dbraw/zinc/60/65/21/1084606521.db2.gz RLIOFYLFSLKXHM-QGZVFWFLSA-N 1 3 317.477 2.297 20 10 DECDHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000185013852 402317494 /nfs/dbraw/zinc/31/74/94/402317494.db2.gz RBNGUINDIRWEEV-OAHLLOKOSA-N 1 3 321.465 2.079 20 10 DECDHO CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297513864 535708550 /nfs/dbraw/zinc/70/85/50/535708550.db2.gz CSMJABAWMNFNHH-RDJZCZTQSA-N 1 3 317.477 2.243 20 10 DECDHO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000840942477 650391577 /nfs/dbraw/zinc/39/15/77/650391577.db2.gz SPYHTIKCDODQAC-UHFFFAOYSA-N 1 3 318.509 2.177 20 10 DECDHO COc1ccc(N2CCC(N[C@@H]3CCC[NH2+][C@@H]3C)CC2)cc1 ZINC000841063139 650418680 /nfs/dbraw/zinc/41/86/80/650418680.db2.gz ILTPUYXBORIGQY-RDTXWAMCSA-N 1 3 303.450 2.394 20 10 DECDHO COc1cc(Br)cc(C[NH2+]CCC(C)(C)[NH3+])c1[O-] ZINC000903939226 643509101 /nfs/dbraw/zinc/50/91/01/643509101.db2.gz WVIXPQLSXVLXFF-UHFFFAOYSA-N 1 3 317.227 2.380 20 10 DECDHO COc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000844903149 651181166 /nfs/dbraw/zinc/18/11/66/651181166.db2.gz TXZZSHTZFCKPET-IYOUNJFTSA-N 1 3 320.433 2.119 20 10 DECDHO COc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000844903149 651181168 /nfs/dbraw/zinc/18/11/68/651181168.db2.gz TXZZSHTZFCKPET-IYOUNJFTSA-N 1 3 320.433 2.119 20 10 DECDHO C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1c([O-])cccc1F ZINC000886522919 692100591 /nfs/dbraw/zinc/10/05/91/692100591.db2.gz TUJBVAJYTWAMIJ-CQSZACIVSA-N 1 3 323.456 2.456 20 10 DECDHO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@@H](N)C34CCC4)C2)cc1 ZINC000925714711 693328619 /nfs/dbraw/zinc/32/86/19/693328619.db2.gz VJGVPKNUMFWSDE-IAOVAPTHSA-N 1 3 301.434 2.133 20 10 DECDHO C[NH2+]C[C@@H](C)CNCc1cc(Br)cc(C)c1O ZINC001118019601 795141210 /nfs/dbraw/zinc/14/12/10/795141210.db2.gz PWHZPLBFRSRTIE-SECBINFHSA-N 1 3 301.228 2.408 20 10 DECDHO COc1cc(CN2CCCC[C@@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139253170 796349172 /nfs/dbraw/zinc/34/91/72/796349172.db2.gz ONPJWHIKZBGISR-GOSISDBHSA-N 1 3 322.449 2.199 20 10 DECDHO COc1cc(CN2CC[C@H]3OCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139259017 796351175 /nfs/dbraw/zinc/35/11/75/796351175.db2.gz DVDQQXXHDGIOFO-GOEBONIOSA-N 1 3 320.433 2.073 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](CO)[C@H]3C)cc2)CC1 ZINC001140302144 796503721 /nfs/dbraw/zinc/50/37/21/796503721.db2.gz LGPUNGPBSNHIOJ-AEFFLSMTSA-N 1 3 317.477 2.031 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](CO)[C@H]3C)cc2)CC1 ZINC001140302144 796503724 /nfs/dbraw/zinc/50/37/24/796503724.db2.gz LGPUNGPBSNHIOJ-AEFFLSMTSA-N 1 3 317.477 2.031 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCO[C@@H]4C3)cc2)CC1 ZINC001140306255 796504522 /nfs/dbraw/zinc/50/45/22/796504522.db2.gz QUCVSFYUDNDSIT-PKOBYXMFSA-N 1 3 315.461 2.049 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3C[C@@H]4CCO[C@@H]4C3)cc2)CC1 ZINC001140306255 796504525 /nfs/dbraw/zinc/50/45/25/796504525.db2.gz QUCVSFYUDNDSIT-PKOBYXMFSA-N 1 3 315.461 2.049 20 10 DECDHO CC[NH+](CC)CCN1CCN(Cc2ccc(C)cc2O)CC1 ZINC001140948418 796605279 /nfs/dbraw/zinc/60/52/79/796605279.db2.gz GOWGDZSUIAOPOS-UHFFFAOYSA-N 1 3 305.466 2.160 20 10 DECDHO CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254523526 1143201986 /nfs/dbraw/zinc/20/19/86/1143201986.db2.gz OUFWZDKNYCXATD-SFHVURJKSA-N 1 3 317.477 2.439 20 10 DECDHO CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254523526 1143202008 /nfs/dbraw/zinc/20/20/08/1143202008.db2.gz OUFWZDKNYCXATD-SFHVURJKSA-N 1 3 317.477 2.439 20 10 DECDHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185345860 402346132 /nfs/dbraw/zinc/34/61/32/402346132.db2.gz ODZIPFYXBRSKAE-LSDHHAIUSA-N 1 3 323.456 2.456 20 10 DECDHO [O-]c1ccccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000179581292 402595295 /nfs/dbraw/zinc/59/52/95/402595295.db2.gz DZTOYEYHOIYLPC-UHFFFAOYSA-N 1 3 304.434 2.469 20 10 DECDHO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282419803 403152101 /nfs/dbraw/zinc/15/21/01/403152101.db2.gz SOWDAVLVVKSKFN-HNNXBMFYSA-N 1 3 305.466 2.377 20 10 DECDHO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)ccc1[O-] ZINC000289740824 403995025 /nfs/dbraw/zinc/99/50/25/403995025.db2.gz INRCKIXJCKMVND-UHFFFAOYSA-N 1 3 311.445 2.237 20 10 DECDHO COc1cc(O)c(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000160453392 522773544 /nfs/dbraw/zinc/77/35/44/522773544.db2.gz LVONGKVPIYCIIE-HIFRSBDPSA-N 1 3 320.433 2.326 20 10 DECDHO COc1cc(O)c(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000160453392 522773552 /nfs/dbraw/zinc/77/35/52/522773552.db2.gz LVONGKVPIYCIIE-HIFRSBDPSA-N 1 3 320.433 2.326 20 10 DECDHO COc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1OC ZINC000892106266 624784250 /nfs/dbraw/zinc/78/42/50/624784250.db2.gz UYZLKERKFNYICO-OCCSQVGLSA-N 1 3 308.422 2.324 20 10 DECDHO COc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1OC ZINC000892106266 624784252 /nfs/dbraw/zinc/78/42/52/624784252.db2.gz UYZLKERKFNYICO-OCCSQVGLSA-N 1 3 308.422 2.324 20 10 DECDHO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)c(O)c1OC ZINC000894621486 637136131 /nfs/dbraw/zinc/13/61/31/637136131.db2.gz ACEBTWCXEPADID-GOSISDBHSA-N 1 3 320.433 2.327 20 10 DECDHO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)c(O)c1OC ZINC000894621486 637136135 /nfs/dbraw/zinc/13/61/35/637136135.db2.gz ACEBTWCXEPADID-GOSISDBHSA-N 1 3 320.433 2.327 20 10 DECDHO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000902517394 643062641 /nfs/dbraw/zinc/06/26/41/643062641.db2.gz LNNZAWXERBTIMP-ATZDWAIDSA-N 1 3 318.509 2.476 20 10 DECDHO COc1ccc(N2CC[C@H](CN[C@H]3CCC[NH2+][C@H]3C)C2)cc1 ZINC000925702191 693326739 /nfs/dbraw/zinc/32/67/39/693326739.db2.gz AKGQNYXXQQBQOS-DAYGRLMNSA-N 1 3 303.450 2.252 20 10 DECDHO COc1cc(CN(C)[C@H]2CCCOC2)cc(C[NH+](C)C)c1O ZINC001139260957 796351204 /nfs/dbraw/zinc/35/12/04/796351204.db2.gz QOHABPNTTIJHRL-HNNXBMFYSA-N 1 3 308.422 2.073 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](COC)C3)cc2)CC1 ZINC001140302090 796503668 /nfs/dbraw/zinc/50/36/68/796503668.db2.gz JPLZEJGYCVNCPL-SFHVURJKSA-N 1 3 317.477 2.297 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](COC)C3)cc2)CC1 ZINC001140302090 796503671 /nfs/dbraw/zinc/50/36/71/796503671.db2.gz JPLZEJGYCVNCPL-SFHVURJKSA-N 1 3 317.477 2.297 20 10 DECDHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000150961489 402006906 /nfs/dbraw/zinc/00/69/06/402006906.db2.gz GIWHQPSYFFQZKJ-INIZCTEOSA-N 1 3 318.509 2.429 20 10 DECDHO Cc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000185647769 402367042 /nfs/dbraw/zinc/36/70/42/402367042.db2.gz JROCGMIXWWJSJX-OAHLLOKOSA-N 1 3 305.466 2.377 20 10 DECDHO CC(C)[NH+]1CCC(O)(CNCc2ccc(N(C)C)c(F)c2)CC1 ZINC000268398427 403079913 /nfs/dbraw/zinc/07/99/13/403079913.db2.gz AXPKYWWENVYJBI-UHFFFAOYSA-N 1 3 323.456 2.217 20 10 DECDHO COc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1C ZINC000282351911 403145972 /nfs/dbraw/zinc/14/59/72/403145972.db2.gz MVADPHCLKBHKIN-UHFFFAOYSA-N 1 3 305.466 2.119 20 10 DECDHO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000266154493 521715547 /nfs/dbraw/zinc/71/55/47/521715547.db2.gz YACVHDWKOJLPFV-QFBILLFUSA-N 1 3 317.477 2.343 20 10 DECDHO CC[N@H+]1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000266154493 521715549 /nfs/dbraw/zinc/71/55/49/521715549.db2.gz YACVHDWKOJLPFV-QFBILLFUSA-N 1 3 317.477 2.343 20 10 DECDHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3[O-])C2)[C@H]1C(C)C ZINC000922392863 636154643 /nfs/dbraw/zinc/15/46/43/636154643.db2.gz OIKZQYRESWDGIL-NXWXRZEISA-N 1 3 318.461 2.352 20 10 DECDHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3[O-])C2)[C@H]1C(C)C ZINC000922392863 636154646 /nfs/dbraw/zinc/15/46/46/636154646.db2.gz OIKZQYRESWDGIL-NXWXRZEISA-N 1 3 318.461 2.352 20 10 DECDHO C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000756408493 639660099 /nfs/dbraw/zinc/66/00/99/639660099.db2.gz OZGLBMNVRWFNKT-AWEZNQCLSA-N 1 3 309.429 2.210 20 10 DECDHO CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779023972 642457064 /nfs/dbraw/zinc/45/70/64/642457064.db2.gz AIYRXYOONCPSIS-INIZCTEOSA-N 1 3 310.413 2.464 20 10 DECDHO CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779023972 642457066 /nfs/dbraw/zinc/45/70/66/642457066.db2.gz AIYRXYOONCPSIS-INIZCTEOSA-N 1 3 310.413 2.464 20 10 DECDHO CN(C)C1(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCC1 ZINC000782535654 642893977 /nfs/dbraw/zinc/89/39/77/642893977.db2.gz MFBRXIGNBUELBQ-UHFFFAOYSA-N 1 3 316.493 2.012 20 10 DECDHO COc1ccc(N2CC[C@H](CN[C@H]3CCC[NH2+][C@@H]3C)C2)cc1 ZINC000925702194 693326366 /nfs/dbraw/zinc/32/63/66/693326366.db2.gz AKGQNYXXQQBQOS-RKVPGOIHSA-N 1 3 303.450 2.252 20 10 DECDHO COc1cc(CN2CC[C@@H](OC)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139260153 796351733 /nfs/dbraw/zinc/35/17/33/796351733.db2.gz OSCPUBIKMYSZRF-CZUORRHYSA-N 1 3 322.449 2.462 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+](C)CC3(C)COC3)cc2)CC1 ZINC001140304455 796503312 /nfs/dbraw/zinc/50/33/12/796503312.db2.gz QIYFMXPKKYUJRU-UHFFFAOYSA-N 1 3 317.477 2.297 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+](C)CC3(C)COC3)cc2)CC1 ZINC001140304455 796503315 /nfs/dbraw/zinc/50/33/15/796503315.db2.gz QIYFMXPKKYUJRU-UHFFFAOYSA-N 1 3 317.477 2.297 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3CO)cc2)CC1 ZINC001140299627 796503698 /nfs/dbraw/zinc/50/36/98/796503698.db2.gz CJFPTWZGQJOVRR-IBGZPJMESA-N 1 3 317.477 2.175 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCCC[C@H]3CO)cc2)CC1 ZINC001140299627 796503701 /nfs/dbraw/zinc/50/37/01/796503701.db2.gz CJFPTWZGQJOVRR-IBGZPJMESA-N 1 3 317.477 2.175 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCCO[C@@H](C)C3)cc2)CC1 ZINC001140299755 796503864 /nfs/dbraw/zinc/50/38/64/796503864.db2.gz FCABMDDZAWFKTF-KRWDZBQOSA-N 1 3 317.477 2.439 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCCO[C@@H](C)C3)cc2)CC1 ZINC001140299755 796503870 /nfs/dbraw/zinc/50/38/70/796503870.db2.gz FCABMDDZAWFKTF-KRWDZBQOSA-N 1 3 317.477 2.439 20 10 DECDHO CCCC(C[NH3+])(CCC)NC(=O)C[C@@H]([NH3+])c1ccccc1[O-] ZINC001221372801 802561093 /nfs/dbraw/zinc/56/10/93/802561093.db2.gz BYHUSEYRAUORBV-CQSZACIVSA-N 1 3 307.438 2.196 20 10 DECDHO CCN1CCN(c2ccc(CN3C[C@H](C)[NH2+]C[C@H]3C)cc2)CC1 ZINC001235447373 1084433289 /nfs/dbraw/zinc/43/32/89/1084433289.db2.gz ZPSVKJBBNAVHMM-DLBZAZTESA-N 1 3 316.493 2.011 20 10 DECDHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185345822 402346060 /nfs/dbraw/zinc/34/60/60/402346060.db2.gz ODZIPFYXBRSKAE-GJZGRUSLSA-N 1 3 323.456 2.456 20 10 DECDHO C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1[O-] ZINC000368330428 227008682 /nfs/dbraw/zinc/00/86/82/227008682.db2.gz WECIDFWWIGUAJT-ZFWWWQNUSA-N 1 3 321.440 2.350 20 10 DECDHO COc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(O)c1OC ZINC000894497350 637069935 /nfs/dbraw/zinc/06/99/35/637069935.db2.gz XTFXBKDBSGZZOM-ZFWWWQNUSA-N 1 3 320.433 2.326 20 10 DECDHO COc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(O)c1OC ZINC000894497350 637069939 /nfs/dbraw/zinc/06/99/39/637069939.db2.gz XTFXBKDBSGZZOM-ZFWWWQNUSA-N 1 3 320.433 2.326 20 10 DECDHO CN(C)c1ccc([C@@H](CN[C@H]2CC[NH2+]C2(C)C)N(C)C)cc1 ZINC000902516815 643062257 /nfs/dbraw/zinc/06/22/57/643062257.db2.gz GYEDIYDESITIQT-SJORKVTESA-N 1 3 304.482 2.085 20 10 DECDHO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCC[NH2+]1 ZINC000902517931 643062562 /nfs/dbraw/zinc/06/25/62/643062562.db2.gz OVGBMYKREQCOFT-ZTFGCOKTSA-N 1 3 304.482 2.085 20 10 DECDHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2F)C[C@@H](C)O1 ZINC000817889081 647371332 /nfs/dbraw/zinc/37/13/32/647371332.db2.gz RVMDMLITTYKROF-UTJXIGIESA-N 1 3 321.440 2.409 20 10 DECDHO COc1ccc(N2CC[C@H](CN[C@@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000818616401 647488907 /nfs/dbraw/zinc/48/89/07/647488907.db2.gz WDQPIVYHIUBPKL-IIDMSEBBSA-N 1 3 303.450 2.109 20 10 DECDHO COc1ccc(N2CC[C@H](CN[C@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000818616399 647489534 /nfs/dbraw/zinc/48/95/34/647489534.db2.gz WDQPIVYHIUBPKL-DAYGRLMNSA-N 1 3 303.450 2.109 20 10 DECDHO COc1ccc(N2CC[C@H](N[C@H](C)C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000849349485 651655343 /nfs/dbraw/zinc/65/53/43/651655343.db2.gz ATWSXNLBXCEAGK-OAGGEKHMSA-N 1 3 303.450 2.394 20 10 DECDHO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3CN)C2)cc1 ZINC000854217760 652659478 /nfs/dbraw/zinc/65/94/78/652659478.db2.gz PXGDUOYVCKDZGG-RLFYNMQTSA-N 1 3 303.450 2.381 20 10 DECDHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000854230213 652661833 /nfs/dbraw/zinc/66/18/33/652661833.db2.gz JVCAOJNNTAEVGN-HZPDHXFCSA-N 1 3 303.450 2.007 20 10 DECDHO COc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1Cn1cccn1 ZINC000873127091 689164465 /nfs/dbraw/zinc/16/44/65/689164465.db2.gz IBXKMAZJELYCSP-HNNXBMFYSA-N 1 3 316.449 2.227 20 10 DECDHO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000873224258 689188141 /nfs/dbraw/zinc/18/81/41/689188141.db2.gz YPXZRBMXXPCWHT-KRWDZBQOSA-N 1 3 306.406 2.318 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+](C)C3CCOCC3)cc2)CC1 ZINC001140300437 777040036 /nfs/dbraw/zinc/04/00/36/777040036.db2.gz PRBYSYWTRLONOC-UHFFFAOYSA-N 1 3 317.477 2.439 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+](C)C3CCOCC3)cc2)CC1 ZINC001140300437 777040042 /nfs/dbraw/zinc/04/00/42/777040042.db2.gz PRBYSYWTRLONOC-UHFFFAOYSA-N 1 3 317.477 2.439 20 10 DECDHO COc1cc(CN2CC[C@@H](C)[C@@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139254574 796350421 /nfs/dbraw/zinc/35/04/21/796350421.db2.gz ITYVAKKUVZEGHA-ACJLOTCBSA-N 1 3 322.449 2.055 20 10 DECDHO CC[NH+](CC)CCN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139404347 796370714 /nfs/dbraw/zinc/37/07/14/796370714.db2.gz BIAPLFRRZCONSQ-UHFFFAOYSA-N 1 3 318.509 2.212 20 10 DECDHO CC(C)[C@H]([NH3+])CCNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328508178 1148803768 /nfs/dbraw/zinc/80/37/68/1148803768.db2.gz WUKKSRRBJSTRNP-QGZVFWFLSA-N 1 3 322.472 2.041 20 10 DECDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@]1(O)CCCNC1 ZINC001246015779 1140846610 /nfs/dbraw/zinc/84/66/10/1140846610.db2.gz XJTPHXGIKHJNBE-MJGOQNOKSA-N 1 3 318.461 2.337 20 10 DECDHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185013761 402316904 /nfs/dbraw/zinc/31/69/04/402316904.db2.gz KGIMBHSBCUMBDW-MRXNPFEDSA-N 1 3 305.466 2.379 20 10 DECDHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c([O-])c1 ZINC000185367196 333207722 /nfs/dbraw/zinc/20/77/22/333207722.db2.gz QOTOEGXAVSIULT-MRXNPFEDSA-N 1 3 305.466 2.379 20 10 DECDHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c([O-])c1 ZINC000185367196 333207723 /nfs/dbraw/zinc/20/77/23/333207723.db2.gz QOTOEGXAVSIULT-MRXNPFEDSA-N 1 3 305.466 2.379 20 10 DECDHO COc1ccc(N2CCC(N[C@H]3CCC[NH2+][C@H]3C)CC2)cc1 ZINC000841063138 650418540 /nfs/dbraw/zinc/41/85/40/650418540.db2.gz ILTPUYXBORIGQY-KSSFIOAISA-N 1 3 303.450 2.394 20 10 DECDHO CN(C)c1ccc([C@@H](CN[C@@H]2CC[NH2+]C23CCC3)N(C)C)cc1 ZINC000902516408 643062264 /nfs/dbraw/zinc/06/22/64/643062264.db2.gz DGLYKUPMPNQRIZ-QZTJIDSGSA-N 1 3 316.493 2.230 20 10 DECDHO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843046166 650876233 /nfs/dbraw/zinc/87/62/33/650876233.db2.gz PAKCEBLVVXIDPJ-VQIMIIECSA-N 1 3 316.493 2.140 20 10 DECDHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2F)C[C@H](C)O1 ZINC000817889082 647372077 /nfs/dbraw/zinc/37/20/77/647372077.db2.gz RVMDMLITTYKROF-UWWPHRKUSA-N 1 3 321.440 2.409 20 10 DECDHO C[C@H]([NH2+]C[C@H]1CNCCCO1)c1cc2c(cc1O)CCCC2 ZINC000817981805 647399709 /nfs/dbraw/zinc/39/97/09/647399709.db2.gz NYJVEXXZBLFNSK-XJKSGUPXSA-N 1 3 304.434 2.300 20 10 DECDHO COc1cc(O)c(CN2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC ZINC000844902895 651181070 /nfs/dbraw/zinc/18/10/70/651181070.db2.gz WLQUCVWGOMTDLM-TZMCWYRMSA-N 1 3 308.422 2.359 20 10 DECDHO CCOc1cccc(CNC2(CCOC)CC[NH2+]CC2)c1O ZINC000873224319 689188045 /nfs/dbraw/zinc/18/80/45/689188045.db2.gz BBBDRPIBWAJVSZ-UHFFFAOYSA-N 1 3 308.422 2.039 20 10 DECDHO COc1cc(CN2CC[C@H](OC)C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139260151 796351820 /nfs/dbraw/zinc/35/18/20/796351820.db2.gz OSCPUBIKMYSZRF-BBRMVZONSA-N 1 3 322.449 2.462 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCCC[C@@H](O)C3)cc2)CC1 ZINC001140302717 796503609 /nfs/dbraw/zinc/50/36/09/796503609.db2.gz YMKAZTCKHBCAJD-LJQANCHMSA-N 1 3 317.477 2.175 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCCC[C@@H](O)C3)cc2)CC1 ZINC001140302717 796503613 /nfs/dbraw/zinc/50/36/13/796503613.db2.gz YMKAZTCKHBCAJD-LJQANCHMSA-N 1 3 317.477 2.175 20 10 DECDHO OC1CC[NH+](CCCNCc2ccc(N3CCCC3)cc2)CC1 ZINC001655416612 1079998049 /nfs/dbraw/zinc/99/80/49/1079998049.db2.gz QWCMMYDOBDOOME-UHFFFAOYSA-N 1 3 317.477 2.223 20 10 DECDHO c1c(CN2C[C@@H]3CC[NH2+]C[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235938968 1084569079 /nfs/dbraw/zinc/56/90/79/1084569079.db2.gz NCEWVAWZASLMBD-OALUTQOASA-N 1 3 311.473 2.427 20 10 DECDHO CC(C)(C)c1ccc(O)c(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235999606 1084587555 /nfs/dbraw/zinc/58/75/55/1084587555.db2.gz JTVRYNHYUQOGSG-VMZNBEPHSA-N 1 3 304.434 2.095 20 10 DECDHO CCN1CCN(c2ccc(CN3[C@H](C)C[NH2+]C[C@H]3C)cc2)CC1 ZINC001236101712 1084613120 /nfs/dbraw/zinc/61/31/20/1084613120.db2.gz FMWWQOSLUOGDHD-IAGOWNOFSA-N 1 3 316.493 2.011 20 10 DECDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000151064205 402013624 /nfs/dbraw/zinc/01/36/24/402013624.db2.gz HEFOAAPBRXKJCQ-GJYPPUQNSA-N 1 3 317.477 2.342 20 10 DECDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000151064205 402013626 /nfs/dbraw/zinc/01/36/26/402013626.db2.gz HEFOAAPBRXKJCQ-GJYPPUQNSA-N 1 3 317.477 2.342 20 10 DECDHO C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000266145923 225337361 /nfs/dbraw/zinc/33/73/61/225337361.db2.gz IWIGJSKJOYBDGF-RDJZCZTQSA-N 1 3 303.450 2.096 20 10 DECDHO C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000266145923 225337364 /nfs/dbraw/zinc/33/73/64/225337364.db2.gz IWIGJSKJOYBDGF-RDJZCZTQSA-N 1 3 303.450 2.096 20 10 DECDHO NC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000841039355 650412049 /nfs/dbraw/zinc/41/20/49/650412049.db2.gz LUPAFTQLYAPFOK-UHFFFAOYSA-N 1 3 303.450 2.274 20 10 DECDHO COc1ccc(N2CCC([NH2+]CCCNC3CC3)CC2)cc1 ZINC000841090233 650428607 /nfs/dbraw/zinc/42/86/07/650428607.db2.gz MTXXKVUBSJMVIX-UHFFFAOYSA-N 1 3 303.450 2.396 20 10 DECDHO CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779023973 642457090 /nfs/dbraw/zinc/45/70/90/642457090.db2.gz AIYRXYOONCPSIS-MRXNPFEDSA-N 1 3 310.413 2.464 20 10 DECDHO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779023973 642457092 /nfs/dbraw/zinc/45/70/92/642457092.db2.gz AIYRXYOONCPSIS-MRXNPFEDSA-N 1 3 310.413 2.464 20 10 DECDHO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843058338 650880319 /nfs/dbraw/zinc/88/03/19/650880319.db2.gz PEOMNLIELJFGRS-LJQANCHMSA-N 1 3 316.493 2.012 20 10 DECDHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889380 647371509 /nfs/dbraw/zinc/37/15/09/647371509.db2.gz UFABPXVTKUBPAQ-IAGOWNOFSA-N 1 3 321.440 2.412 20 10 DECDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185021762 649423060 /nfs/dbraw/zinc/42/30/60/649423060.db2.gz BHFYABCGZONVJY-JKSUJKDBSA-N 1 3 305.466 2.377 20 10 DECDHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000854230211 652661614 /nfs/dbraw/zinc/66/16/14/652661614.db2.gz JVCAOJNNTAEVGN-CVEARBPZSA-N 1 3 303.450 2.007 20 10 DECDHO Cc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(O)c1 ZINC000876810928 689944252 /nfs/dbraw/zinc/94/42/52/689944252.db2.gz FGQFEIZJPTUECE-JFIYKMOQSA-N 1 3 304.434 2.384 20 10 DECDHO CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879650880 690699138 /nfs/dbraw/zinc/69/91/38/690699138.db2.gz VLCNSAHXFRFLIN-INIZCTEOSA-N 1 3 305.466 2.459 20 10 DECDHO COC[C@H]1CCCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139253179 796348689 /nfs/dbraw/zinc/34/86/89/796348689.db2.gz OQLIEQRHXVFKCX-OAHLLOKOSA-N 1 3 308.422 2.073 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3[C@@H](C)CC[C@H]3CO)cc2)CC1 ZINC001140302670 796503882 /nfs/dbraw/zinc/50/38/82/796503882.db2.gz XEILTQYUYLUBKN-LPHOPBHVSA-N 1 3 317.477 2.174 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3[C@@H](C)CC[C@H]3CO)cc2)CC1 ZINC001140302670 796503886 /nfs/dbraw/zinc/50/38/86/796503886.db2.gz XEILTQYUYLUBKN-LPHOPBHVSA-N 1 3 317.477 2.174 20 10 DECDHO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)cc1 ZINC001205666071 797733322 /nfs/dbraw/zinc/73/33/22/797733322.db2.gz ZKZWCTNBWGYCEB-GOSISDBHSA-N 1 3 305.466 2.209 20 10 DECDHO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@](O)(CN)C2)cc1 ZINC001205666071 797733325 /nfs/dbraw/zinc/73/33/25/797733325.db2.gz ZKZWCTNBWGYCEB-GOSISDBHSA-N 1 3 305.466 2.209 20 10 DECDHO CCN(CC)c1ccc(CN2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205666071 797733327 /nfs/dbraw/zinc/73/33/27/797733327.db2.gz ZKZWCTNBWGYCEB-GOSISDBHSA-N 1 3 305.466 2.209 20 10 DECDHO c1ccc2c(c1)CNC[C@H]2Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218490306 802189686 /nfs/dbraw/zinc/18/96/86/802189686.db2.gz RNMWJVPFQHBJII-LJQANCHMSA-N 1 3 309.413 2.320 20 10 DECDHO CCN1CCN(c2ccc(O[C@H]3C[NH+]4CCC3CC4)cc2)CC1 ZINC001234658269 1084190570 /nfs/dbraw/zinc/19/05/70/1084190570.db2.gz ZAYAZHCZHPTCTA-IBGZPJMESA-N 1 3 315.461 2.302 20 10 DECDHO C[NH+](C)CCN(Cc1cc(Cl)ccc1[O-])[C@H]1CCC[NH2+]C1 ZINC001236924026 1138457393 /nfs/dbraw/zinc/45/73/93/1138457393.db2.gz OBPFUGPRGCZGBE-HNNXBMFYSA-N 1 3 311.857 2.161 20 10 DECDHO C[C@H](CC[NH+](C)C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001308234056 1147457650 /nfs/dbraw/zinc/45/76/50/1147457650.db2.gz OSEAMXOYYPNYMW-OAHLLOKOSA-N 1 3 322.472 2.007 20 10 DECDHO C[C@H](CCN(C)C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001308234056 1147457656 /nfs/dbraw/zinc/45/76/56/1147457656.db2.gz OSEAMXOYYPNYMW-OAHLLOKOSA-N 1 3 322.472 2.007 20 10 DECDHO C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(F)ccc1[O-] ZINC000185648256 402366875 /nfs/dbraw/zinc/36/68/75/402366875.db2.gz FXVMDQUFLXNYBY-CYBMUJFWSA-N 1 3 309.429 2.208 20 10 DECDHO Cc1ccc(O)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000378371995 534196641 /nfs/dbraw/zinc/19/66/41/534196641.db2.gz QSYNPUCCARNXNK-XYJFISCASA-N 1 3 304.434 2.384 20 10 DECDHO CC[N@@H+]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000266154489 521720974 /nfs/dbraw/zinc/72/09/74/521720974.db2.gz YACVHDWKOJLPFV-LPHOPBHVSA-N 1 3 317.477 2.343 20 10 DECDHO CC[N@H+]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000266154489 521720975 /nfs/dbraw/zinc/72/09/75/521720975.db2.gz YACVHDWKOJLPFV-LPHOPBHVSA-N 1 3 317.477 2.343 20 10 DECDHO CC[N@@H+]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000266154485 521721146 /nfs/dbraw/zinc/72/11/46/521721146.db2.gz YACVHDWKOJLPFV-APWZRJJASA-N 1 3 317.477 2.343 20 10 DECDHO CC[N@H+]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000266154485 521721147 /nfs/dbraw/zinc/72/11/47/521721147.db2.gz YACVHDWKOJLPFV-APWZRJJASA-N 1 3 317.477 2.343 20 10 DECDHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3[O-])C2)[C@@H]1C(C)C ZINC000922392865 636154973 /nfs/dbraw/zinc/15/49/73/636154973.db2.gz OIKZQYRESWDGIL-OQIJWPOYSA-N 1 3 318.461 2.352 20 10 DECDHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3[O-])C2)[C@@H]1C(C)C ZINC000922392865 636154975 /nfs/dbraw/zinc/15/49/75/636154975.db2.gz OIKZQYRESWDGIL-OQIJWPOYSA-N 1 3 318.461 2.352 20 10 DECDHO COc1ccc(N2CCC([NH2+][C@@H]3CCN[C@@H](C)C3)CC2)cc1 ZINC000841061820 650418622 /nfs/dbraw/zinc/41/86/22/650418622.db2.gz MWVJJPPPQGEXBD-GOEBONIOSA-N 1 3 303.450 2.394 20 10 DECDHO CC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000843053183 650878482 /nfs/dbraw/zinc/87/84/82/650878482.db2.gz IVWVPERRVQDGKQ-WMZOPIPTSA-N 1 3 303.450 2.082 20 10 DECDHO CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3[O-])CC2)CC1 ZINC000817413911 647289041 /nfs/dbraw/zinc/28/90/41/647289041.db2.gz LNEUDPXFOTYMNT-UHFFFAOYSA-N 1 3 317.477 2.384 20 10 DECDHO CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3[O-])CC2)CC1 ZINC000817413911 647289046 /nfs/dbraw/zinc/28/90/46/647289046.db2.gz LNEUDPXFOTYMNT-UHFFFAOYSA-N 1 3 317.477 2.384 20 10 DECDHO CCN1CCN(c2ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc2F)CC1 ZINC000817902070 647376921 /nfs/dbraw/zinc/37/69/21/647376921.db2.gz HRUFYMAAMYDCQB-GJZGRUSLSA-N 1 3 322.472 2.183 20 10 DECDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[O-])C1 ZINC000844911238 651182283 /nfs/dbraw/zinc/18/22/83/651182283.db2.gz MLVGAEVJZQFVPK-INMHGKMJSA-N 1 3 308.397 2.392 20 10 DECDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2[O-])C1 ZINC000844911238 651182286 /nfs/dbraw/zinc/18/22/86/651182286.db2.gz MLVGAEVJZQFVPK-INMHGKMJSA-N 1 3 308.397 2.392 20 10 DECDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846139926 651310425 /nfs/dbraw/zinc/31/04/25/651310425.db2.gz BPKMKSJVQFKCQX-HUUCEWRRSA-N 1 3 321.465 2.077 20 10 DECDHO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)[C@@H]3CCCCN3)C2)cc1 ZINC000854217680 652658598 /nfs/dbraw/zinc/65/85/98/652658598.db2.gz OPLGFWJTGFLPQW-RKVPGOIHSA-N 1 3 303.450 2.394 20 10 DECDHO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CCCCN3)C2)cc1 ZINC000854217681 652658775 /nfs/dbraw/zinc/65/87/75/652658775.db2.gz OPLGFWJTGFLPQW-RLFYNMQTSA-N 1 3 303.450 2.394 20 10 DECDHO N[C@H]1CCCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000873214426 689185644 /nfs/dbraw/zinc/18/56/44/689185644.db2.gz FJGQWPRQHBIZOF-KRWDZBQOSA-N 1 3 303.450 2.227 20 10 DECDHO N[C@H]1CCCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000873214426 689185648 /nfs/dbraw/zinc/18/56/48/689185648.db2.gz FJGQWPRQHBIZOF-KRWDZBQOSA-N 1 3 303.450 2.227 20 10 DECDHO CN1CC2(C1)CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138499501 796227209 /nfs/dbraw/zinc/22/72/09/796227209.db2.gz NFORSGJYAUSQPN-UHFFFAOYSA-N 1 3 315.461 2.051 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3COC)cc2)CC1 ZINC001140299620 796503824 /nfs/dbraw/zinc/50/38/24/796503824.db2.gz CECQPRUVSWRORF-LJQANCHMSA-N 1 3 317.477 2.439 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3COC)cc2)CC1 ZINC001140299620 796503830 /nfs/dbraw/zinc/50/38/30/796503830.db2.gz CECQPRUVSWRORF-LJQANCHMSA-N 1 3 317.477 2.439 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140301997 796504141 /nfs/dbraw/zinc/50/41/41/796504141.db2.gz HBQOIIBNUTVXBD-LPHOPBHVSA-N 1 3 317.477 2.031 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140301997 796504145 /nfs/dbraw/zinc/50/41/45/796504145.db2.gz HBQOIIBNUTVXBD-LPHOPBHVSA-N 1 3 317.477 2.031 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H]3CC[C@H](C)[NH2+]C3)cc2)CC1 ZINC001218409266 802179065 /nfs/dbraw/zinc/17/90/65/802179065.db2.gz UHAHDKXLRZYOLK-MAUKXSAKSA-N 1 3 303.450 2.348 20 10 DECDHO [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000178955299 402558942 /nfs/dbraw/zinc/55/89/42/402558942.db2.gz AHYFLXPFFDKWTP-QGZVFWFLSA-N 1 3 304.434 2.373 20 10 DECDHO [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000178955299 402558944 /nfs/dbraw/zinc/55/89/44/402558944.db2.gz AHYFLXPFFDKWTP-QGZVFWFLSA-N 1 3 304.434 2.373 20 10 DECDHO COc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)cc1OC ZINC000293692123 403538955 /nfs/dbraw/zinc/53/89/55/403538955.db2.gz QSYJMSARUTULBM-GOSISDBHSA-N 1 3 320.433 2.327 20 10 DECDHO COc1cc(O)c(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)cc1OC ZINC000293692123 403538960 /nfs/dbraw/zinc/53/89/60/403538960.db2.gz QSYJMSARUTULBM-GOSISDBHSA-N 1 3 320.433 2.327 20 10 DECDHO CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1[O-] ZINC000185207983 288035311 /nfs/dbraw/zinc/03/53/11/288035311.db2.gz PBVJVILQHYKNQY-KRWDZBQOSA-N 1 3 305.466 2.459 20 10 DECDHO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000266154498 521715589 /nfs/dbraw/zinc/71/55/89/521715589.db2.gz YACVHDWKOJLPFV-VQIMIIECSA-N 1 3 317.477 2.343 20 10 DECDHO CC[N@H+]1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000266154498 521715590 /nfs/dbraw/zinc/71/55/90/521715590.db2.gz YACVHDWKOJLPFV-VQIMIIECSA-N 1 3 317.477 2.343 20 10 DECDHO [NH3+][C@H]1CCC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000841058087 641499935 /nfs/dbraw/zinc/49/99/35/641499935.db2.gz PQXJCZMUNHPBLG-GJZGRUSLSA-N 1 3 307.413 2.022 20 10 DECDHO CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725652 643441043 /nfs/dbraw/zinc/44/10/43/643441043.db2.gz FGDCNUKIKVFTQT-WMZOPIPTSA-N 1 3 304.434 2.373 20 10 DECDHO CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725652 643441046 /nfs/dbraw/zinc/44/10/46/643441046.db2.gz FGDCNUKIKVFTQT-WMZOPIPTSA-N 1 3 304.434 2.373 20 10 DECDHO COc1ccc(N2CC[C@@H](NC[C@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000904376833 643654203 /nfs/dbraw/zinc/65/42/03/643654203.db2.gz GEPZBLYDBDSADA-CRAIPNDOSA-N 1 3 303.450 2.253 20 10 DECDHO CC[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1ccccc1O ZINC000155143132 648196795 /nfs/dbraw/zinc/19/67/95/648196795.db2.gz PUPJIRNZFHIGGL-WBVHZDCISA-N 1 3 305.466 2.459 20 10 DECDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185022353 649423651 /nfs/dbraw/zinc/42/36/51/649423651.db2.gz DCSBAPCJKFEDKT-HZPDHXFCSA-N 1 3 305.466 2.377 20 10 DECDHO COc1cc(O)c(CN[C@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000872252096 688964626 /nfs/dbraw/zinc/96/46/26/688964626.db2.gz PBQLQGRMZFVXGS-ZDUSSCGKSA-N 1 3 308.422 2.277 20 10 DECDHO [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873290913 689203147 /nfs/dbraw/zinc/20/31/47/689203147.db2.gz CBYWWHCNAATRKV-GJZGRUSLSA-N 1 3 302.418 2.128 20 10 DECDHO CN(C)CCN(C(=O)/C=C/[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000876741806 689923863 /nfs/dbraw/zinc/92/38/63/689923863.db2.gz SXORLTRKLMWGFE-OFAQMXQXSA-N 1 3 301.434 2.137 20 10 DECDHO CCN1CCN(c2ccc(C[NH+]3CCC(OC)CC3)cc2)CC1 ZINC001140300458 796503559 /nfs/dbraw/zinc/50/35/59/796503559.db2.gz QBGGQGYBWKFHSQ-UHFFFAOYSA-N 1 3 317.477 2.439 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](O)[C@H](C)C3)cc2)CC1 ZINC001140301996 796504079 /nfs/dbraw/zinc/50/40/79/796504079.db2.gz HBQOIIBNUTVXBD-APWZRJJASA-N 1 3 317.477 2.031 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](O)[C@H](C)C3)cc2)CC1 ZINC001140301996 796504082 /nfs/dbraw/zinc/50/40/82/796504082.db2.gz HBQOIIBNUTVXBD-APWZRJJASA-N 1 3 317.477 2.031 20 10 DECDHO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@@](O)(CN)C2)c1 ZINC001205726856 800409982 /nfs/dbraw/zinc/40/99/82/800409982.db2.gz YNWMXCKWZDQVQF-GOSISDBHSA-N 1 3 306.450 2.365 20 10 DECDHO CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@@](O)(CN)C2)c1 ZINC001205726856 800409984 /nfs/dbraw/zinc/40/99/84/800409984.db2.gz YNWMXCKWZDQVQF-GOSISDBHSA-N 1 3 306.450 2.365 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H]3CCCC[NH2+]C3)cc2)CC1 ZINC001217974163 802125958 /nfs/dbraw/zinc/12/59/58/802125958.db2.gz GREYGKYUDIZCFK-GOSISDBHSA-N 1 3 303.450 2.349 20 10 DECDHO CC(C)(C)c1ccc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235999939 1084587811 /nfs/dbraw/zinc/58/78/11/1084587811.db2.gz NNNOIMRHODPEPL-VMZNBEPHSA-N 1 3 304.434 2.095 20 10 DECDHO C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001236080501 1084608899 /nfs/dbraw/zinc/60/88/99/1084608899.db2.gz DLVNXSVXOLKEGL-UHFFFAOYSA-N 1 3 305.466 2.027 20 10 DECDHO C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001236080501 1084608902 /nfs/dbraw/zinc/60/89/02/1084608902.db2.gz DLVNXSVXOLKEGL-UHFFFAOYSA-N 1 3 305.466 2.027 20 10 DECDHO COc1cc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)c(O)cc1O ZINC001276091687 1091538573 /nfs/dbraw/zinc/53/85/73/1091538573.db2.gz XEHYVKNJVGGUSK-KRWDZBQOSA-N 1 3 306.406 2.024 20 10 DECDHO COc1cc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)c(O)cc1O ZINC001276091687 1091538580 /nfs/dbraw/zinc/53/85/80/1091538580.db2.gz XEHYVKNJVGGUSK-KRWDZBQOSA-N 1 3 306.406 2.024 20 10 DECDHO C[NH+](C)CCN(Cc1c([O-])cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236933327 1138460560 /nfs/dbraw/zinc/46/05/60/1138460560.db2.gz RDHRVFDCHJHMAE-CYBMUJFWSA-N 1 3 311.857 2.161 20 10 DECDHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000128300143 299292751 /nfs/dbraw/zinc/29/27/51/299292751.db2.gz KRGBSEDOAIGDAR-KRWDZBQOSA-N 1 3 318.509 2.431 20 10 DECDHO CCC[N@@H+]1CC[C@H](CNCc2ccc(OC)c(OC)c2O)C1 ZINC000892668315 625255211 /nfs/dbraw/zinc/25/52/11/625255211.db2.gz KJVJVAXWAXYWLI-CYBMUJFWSA-N 1 3 308.422 2.231 20 10 DECDHO CCC[N@H+]1CC[C@H](CNCc2ccc(OC)c(OC)c2O)C1 ZINC000892668315 625255219 /nfs/dbraw/zinc/25/52/19/625255219.db2.gz KJVJVAXWAXYWLI-CYBMUJFWSA-N 1 3 308.422 2.231 20 10 DECDHO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000902517930 643062628 /nfs/dbraw/zinc/06/26/28/643062628.db2.gz OVGBMYKREQCOFT-WBAXXEDZSA-N 1 3 304.482 2.085 20 10 DECDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c1[O-] ZINC000808697440 646130553 /nfs/dbraw/zinc/13/05/53/646130553.db2.gz JKTPQYSCMLWSJO-LBPRGKRZSA-N 1 3 312.841 2.461 20 10 DECDHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889379 647371623 /nfs/dbraw/zinc/37/16/23/647371623.db2.gz UFABPXVTKUBPAQ-DLBZAZTESA-N 1 3 321.440 2.412 20 10 DECDHO [O-]c1cc2c(cc1C[NH2+]CC1CC[NH+](CC3CC3)CC1)OCO2 ZINC000850421561 651926249 /nfs/dbraw/zinc/92/62/49/651926249.db2.gz YLIUVEXFWWJQNL-UHFFFAOYSA-N 1 3 318.417 2.333 20 10 DECDHO C[N@@H+]1CCC[C@@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877027013 690001087 /nfs/dbraw/zinc/00/10/87/690001087.db2.gz IPIJSNTVYSWPKQ-KRWDZBQOSA-N 1 3 317.477 2.079 20 10 DECDHO C[N@H+]1CCC[C@@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877027013 690001093 /nfs/dbraw/zinc/00/10/93/690001093.db2.gz IPIJSNTVYSWPKQ-KRWDZBQOSA-N 1 3 317.477 2.079 20 10 DECDHO COCC[N@@H+](Cc1c([O-])cccc1OC)CC1CC[NH+](C)CC1 ZINC000877665022 690182539 /nfs/dbraw/zinc/18/25/39/690182539.db2.gz CWASYHSLBLXUEG-UHFFFAOYSA-N 1 3 322.449 2.191 20 10 DECDHO COCC[N@H+](Cc1c([O-])cccc1OC)CC1CC[NH+](C)CC1 ZINC000877665022 690182543 /nfs/dbraw/zinc/18/25/43/690182543.db2.gz CWASYHSLBLXUEG-UHFFFAOYSA-N 1 3 322.449 2.191 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H]3C[NH2+]CCC[C@H]3F)cc2)CC1 ZINC001217983587 802127066 /nfs/dbraw/zinc/12/70/66/802127066.db2.gz KHLAJWOIOLCDIH-QZTJIDSGSA-N 1 3 321.440 2.297 20 10 DECDHO Cc1c2ccccc2n(C)c1CNCCC[NH+]1CCC(O)CC1 ZINC001656195000 1080062775 /nfs/dbraw/zinc/06/27/75/1080062775.db2.gz MGQAUAZNJNUVCT-UHFFFAOYSA-N 1 3 315.461 2.423 20 10 DECDHO C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)ccc1[O-] ZINC000368330427 227008283 /nfs/dbraw/zinc/00/82/83/227008283.db2.gz WECIDFWWIGUAJT-UKRRQHHQSA-N 1 3 321.440 2.350 20 10 DECDHO C[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)c2c1c(F)ccc2[O-] ZINC000925811315 635509010 /nfs/dbraw/zinc/50/90/10/635509010.db2.gz HXMWKJAPOJGULZ-RISCZKNCSA-N 1 3 307.413 2.092 20 10 DECDHO COc1cccc([O-])c1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000841099945 650430500 /nfs/dbraw/zinc/43/05/00/650430500.db2.gz QRNJUKYKZZWVNG-CRAIPNDOSA-N 1 3 320.433 2.119 20 10 DECDHO [O-]c1ccccc1C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000842471179 650747306 /nfs/dbraw/zinc/74/73/06/650747306.db2.gz HQWKHLQSZVRTPI-RDJZCZTQSA-N 1 3 304.434 2.373 20 10 DECDHO [O-]c1ccccc1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000842471179 650747311 /nfs/dbraw/zinc/74/73/11/650747311.db2.gz HQWKHLQSZVRTPI-RDJZCZTQSA-N 1 3 304.434 2.373 20 10 DECDHO CN(C)c1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000902518652 643063076 /nfs/dbraw/zinc/06/30/76/643063076.db2.gz SGOPJUMKYKHEHT-RZRMAFQFSA-N 1 3 316.493 2.228 20 10 DECDHO CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725651 643441101 /nfs/dbraw/zinc/44/11/01/643441101.db2.gz FGDCNUKIKVFTQT-SJLPKXTDSA-N 1 3 304.434 2.373 20 10 DECDHO CCC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725651 643441103 /nfs/dbraw/zinc/44/11/03/643441103.db2.gz FGDCNUKIKVFTQT-SJLPKXTDSA-N 1 3 304.434 2.373 20 10 DECDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895847 647374601 /nfs/dbraw/zinc/37/46/01/647374601.db2.gz WYAVZSYGXCEIJN-QWHCGFSZSA-N 1 3 309.429 2.002 20 10 DECDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817895863 647374751 /nfs/dbraw/zinc/37/47/51/647374751.db2.gz XFBHVYNMDAFENQ-GJZGRUSLSA-N 1 3 305.466 2.111 20 10 DECDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000817900958 647376953 /nfs/dbraw/zinc/37/69/53/647376953.db2.gz XADQKIWZYPVIQV-JCGIZDLHSA-N 1 3 303.450 2.129 20 10 DECDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185022295 649423517 /nfs/dbraw/zinc/42/35/17/649423517.db2.gz DCSBAPCJKFEDKT-HOTGVXAUSA-N 1 3 305.466 2.377 20 10 DECDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000844901927 651180748 /nfs/dbraw/zinc/18/07/48/651180748.db2.gz JIPLGALPZOCFFF-SRCQZFHVSA-N 1 3 308.397 2.250 20 10 DECDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000844901927 651180750 /nfs/dbraw/zinc/18/07/50/651180750.db2.gz JIPLGALPZOCFFF-SRCQZFHVSA-N 1 3 308.397 2.250 20 10 DECDHO CN(C)c1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000848526485 651467249 /nfs/dbraw/zinc/46/72/49/651467249.db2.gz YVECQLNPNDSLAX-MRXNPFEDSA-N 1 3 321.440 2.235 20 10 DECDHO C[C@H](N[C@H]1C[C@H]([NH3+])C12CCC2)c1ccc(N2CCOCC2)cc1 ZINC000925483491 693280663 /nfs/dbraw/zinc/28/06/63/693280663.db2.gz ZQLCREHCBZORBD-WBAXXEDZSA-N 1 3 315.461 2.444 20 10 DECDHO CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1[O-] ZINC000925852499 693353674 /nfs/dbraw/zinc/35/36/74/693353674.db2.gz BZWCKZLBMIWHLP-ZFWWWQNUSA-N 1 3 318.417 2.118 20 10 DECDHO COc1cc(CN2C[C@H](CO)CC[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139254341 796350341 /nfs/dbraw/zinc/35/03/41/796350341.db2.gz HHOUYIZTQWMDKQ-ZIAGYGMSSA-N 1 3 322.449 2.055 20 10 DECDHO CCN1CCN(c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC001140302128 796503707 /nfs/dbraw/zinc/50/37/07/796503707.db2.gz KSLDMSRLRPJQSL-UHFFFAOYSA-N 1 3 305.491 2.377 20 10 DECDHO CN1CCOc2cc(CN3CCCC[C@@](C)(C[NH3+])C3)ccc21 ZINC001206556908 800554424 /nfs/dbraw/zinc/55/44/24/800554424.db2.gz ZSCURVVDLRMXFN-SFHVURJKSA-N 1 3 303.450 2.466 20 10 DECDHO COc1cc(CN2CCCC[C@](C)(C[NH3+])C2)c(O)c(OC)c1 ZINC001206572532 800556342 /nfs/dbraw/zinc/55/63/42/800556342.db2.gz CHRNLKSRMDSVQL-QGZVFWFLSA-N 1 3 308.422 2.360 20 10 DECDHO COc1ccc(N2CCN(CC3CC[NH+](C)CC3)CC2)c(C)c1 ZINC001207400608 800744628 /nfs/dbraw/zinc/74/46/28/800744628.db2.gz HDQPWPFWDQAUTR-UHFFFAOYSA-N 1 3 317.477 2.467 20 10 DECDHO CCN1CCN(c2ccc(O[C@H]3CCC[NH2+]C[C@@H]3F)cc2)CC1 ZINC001217953586 802123975 /nfs/dbraw/zinc/12/39/75/802123975.db2.gz VOGUFCDHGFENFL-ROUUACIJSA-N 1 3 321.440 2.297 20 10 DECDHO [O-]c1cc2ccccc2cc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104065 802643749 /nfs/dbraw/zinc/64/37/49/802643749.db2.gz ALXDTFWOKSLDGR-UHFFFAOYSA-N 1 3 311.429 2.073 20 10 DECDHO [O-]c1cc2ccccc2cc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104065 802643751 /nfs/dbraw/zinc/64/37/51/802643751.db2.gz ALXDTFWOKSLDGR-UHFFFAOYSA-N 1 3 311.429 2.073 20 10 DECDHO CN1CCN(c2ccc(CNC(C)(C)C[NH+](C)C)cc2F)CC1 ZINC001345155807 1150869173 /nfs/dbraw/zinc/86/91/73/1150869173.db2.gz RNFWLFFVTUUSLE-UHFFFAOYSA-N 1 3 322.472 2.007 20 10 DECDHO COc1cc(C[N@@H+]2CCC[C@@]3(CCCN(C)C3)C2)c(O)cc1O ZINC001276091003 1091535819 /nfs/dbraw/zinc/53/58/19/1091535819.db2.gz HSKAPHJTXCLSFB-GOSISDBHSA-N 1 3 320.433 2.414 20 10 DECDHO COc1cc(C[N@H+]2CCC[C@@]3(CCCN(C)C3)C2)c(O)cc1O ZINC001276091003 1091535825 /nfs/dbraw/zinc/53/58/25/1091535825.db2.gz HSKAPHJTXCLSFB-GOSISDBHSA-N 1 3 320.433 2.414 20 10 DECDHO C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(F)ccc1[O-] ZINC000184983615 402314517 /nfs/dbraw/zinc/31/45/17/402314517.db2.gz ZSYIWBYZSSJUAV-CYBMUJFWSA-N 1 3 309.429 2.208 20 10 DECDHO Cc1cc([O-])c(CN(CC[NH+](C)C)CC[NH+](C)C)c(Cl)c1 ZINC000840948223 635318622 /nfs/dbraw/zinc/31/86/22/635318622.db2.gz FVJHODYSTUMJRR-UHFFFAOYSA-N 1 3 313.873 2.279 20 10 DECDHO C[C@H](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N(C)C ZINC000895291884 637894138 /nfs/dbraw/zinc/89/41/38/637894138.db2.gz IXQLVSZEPJDOFN-OAHLLOKOSA-N 1 3 305.466 2.078 20 10 DECDHO COc1ccc(N2CCC(N[C@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000841057651 650417012 /nfs/dbraw/zinc/41/70/12/650417012.db2.gz BUPKPDWWPBHULE-KSSFIOAISA-N 1 3 303.450 2.252 20 10 DECDHO COc1ccc(C[N@H+](C)CC(C)(C)CN(C)C)c(O)c1OC ZINC000898306044 641096464 /nfs/dbraw/zinc/09/64/64/641096464.db2.gz CNTNNRKKACVNHV-UHFFFAOYSA-N 1 3 310.438 2.429 20 10 DECDHO COc1ccc(C[N@@H+](C)CC(C)(C)CN(C)C)c(O)c1OC ZINC000898306044 641096466 /nfs/dbraw/zinc/09/64/66/641096466.db2.gz CNTNNRKKACVNHV-UHFFFAOYSA-N 1 3 310.438 2.429 20 10 DECDHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000841058086 641499917 /nfs/dbraw/zinc/49/99/17/641499917.db2.gz PQXJCZMUNHPBLG-CABCVRRESA-N 1 3 307.413 2.022 20 10 DECDHO CN(C)c1ccc([C@H](CN[C@H]2CC[NH2+]C23CCC3)N(C)C)cc1 ZINC000902516410 643062671 /nfs/dbraw/zinc/06/26/71/643062671.db2.gz DGLYKUPMPNQRIZ-ROUUACIJSA-N 1 3 316.493 2.230 20 10 DECDHO CCC[C@H]1C[NH2+]CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843058336 650880103 /nfs/dbraw/zinc/88/01/03/650880103.db2.gz PEOMNLIELJFGRS-IBGZPJMESA-N 1 3 316.493 2.012 20 10 DECDHO COc1cc(Br)cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1[O-] ZINC000843128168 650902250 /nfs/dbraw/zinc/90/22/50/650902250.db2.gz IJEMNIOPPDPZBF-DTWKUNHWSA-N 1 3 317.227 2.379 20 10 DECDHO Cc1cc(O)c(CN2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000843431345 650973514 /nfs/dbraw/zinc/97/35/14/650973514.db2.gz CIERNZRHZLZHMI-UHFFFAOYSA-N 1 3 304.434 2.306 20 10 DECDHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876731113 689919282 /nfs/dbraw/zinc/91/92/82/689919282.db2.gz NMUMIDDFKPVXGC-KRWDZBQOSA-N 1 3 317.477 2.031 20 10 DECDHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876731113 689919284 /nfs/dbraw/zinc/91/92/84/689919284.db2.gz NMUMIDDFKPVXGC-KRWDZBQOSA-N 1 3 317.477 2.031 20 10 DECDHO CC[N@@H+]1CCC[C@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000876881998 689963153 /nfs/dbraw/zinc/96/31/53/689963153.db2.gz WGAVEPJZTZECOT-SFHVURJKSA-N 1 3 317.477 2.222 20 10 DECDHO CC[N@H+]1CCC[C@H]1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000876881998 689963155 /nfs/dbraw/zinc/96/31/55/689963155.db2.gz WGAVEPJZTZECOT-SFHVURJKSA-N 1 3 317.477 2.222 20 10 DECDHO COc1cc(CN2CCC[C@@H](C)[C@H]2CO)cc(C[NH+](C)C)c1O ZINC001139253134 796348785 /nfs/dbraw/zinc/34/87/85/796348785.db2.gz MZANDNWOWFZIPG-CZUORRHYSA-N 1 3 322.449 2.055 20 10 DECDHO COc1cc(CN2CC[C@@]3(CCOC3)C2)cc(C[NH+](C)C)c1O ZINC001139256185 796350232 /nfs/dbraw/zinc/35/02/32/796350232.db2.gz WDRGFBBRHJOPCD-GOSISDBHSA-N 1 3 320.433 2.075 20 10 DECDHO COc1cc(CN2CC[C@@H]3OCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139259018 796351889 /nfs/dbraw/zinc/35/18/89/796351889.db2.gz DVDQQXXHDGIOFO-HOCLYGCPSA-N 1 3 320.433 2.073 20 10 DECDHO Cc1ccc(C)c(CN2CCN(CC[NH+]3CCCC3)CC2)c1O ZINC001140184386 796487704 /nfs/dbraw/zinc/48/77/04/796487704.db2.gz RHYABWIQUCQQLL-UHFFFAOYSA-N 1 3 317.477 2.222 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)C[C@H]3C)cc2)CC1 ZINC001140304689 796503340 /nfs/dbraw/zinc/50/33/40/796503340.db2.gz YHYSLHGDDLNPSR-VQIMIIECSA-N 1 3 317.477 2.174 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](O)C[C@H]3C)cc2)CC1 ZINC001140304689 796503343 /nfs/dbraw/zinc/50/33/43/796503343.db2.gz YHYSLHGDDLNPSR-VQIMIIECSA-N 1 3 317.477 2.174 20 10 DECDHO CCN1CCN(c2ccc(C[NH+]3CC([C@H](C)OC)C3)cc2)CC1 ZINC001140309796 796504506 /nfs/dbraw/zinc/50/45/06/796504506.db2.gz UYEMFWWYXWCNBO-INIZCTEOSA-N 1 3 317.477 2.295 20 10 DECDHO NC[C@]1(O)CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205673827 800397923 /nfs/dbraw/zinc/39/79/23/800397923.db2.gz UNOGDALOTGGAGR-LJQANCHMSA-N 1 3 317.477 2.353 20 10 DECDHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205673827 800397929 /nfs/dbraw/zinc/39/79/29/800397929.db2.gz UNOGDALOTGGAGR-LJQANCHMSA-N 1 3 317.477 2.353 20 10 DECDHO [NH3+]C[C@]1(O)CCCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205673827 800397936 /nfs/dbraw/zinc/39/79/36/800397936.db2.gz UNOGDALOTGGAGR-LJQANCHMSA-N 1 3 317.477 2.353 20 10 DECDHO c1c(CN2C[C@H]3C[NH2+]CC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235938970 1084568417 /nfs/dbraw/zinc/56/84/17/1084568417.db2.gz NCEWVAWZASLMBD-RTBURBONSA-N 1 3 311.473 2.427 20 10 DECDHO CN(C)c1ccc(/C=C\CNCCC[NH+]2CCC(O)CC2)cc1 ZINC000835037838 649869802 /nfs/dbraw/zinc/86/98/02/649869802.db2.gz XRELANRMUGUPMY-HYXAFXHYSA-N 1 3 317.477 2.202 20 10 DECDHO COc1cccc([O-])c1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000841103813 650432007 /nfs/dbraw/zinc/43/20/07/650432007.db2.gz KCQOLKKMKJGCPQ-RDTXWAMCSA-N 1 3 320.433 2.119 20 10 DECDHO CN(C)c1ccc([C@H](CN[C@@H]2CC[NH2+]C23CCC3)N(C)C)cc1 ZINC000902516412 643062500 /nfs/dbraw/zinc/06/25/00/643062500.db2.gz DGLYKUPMPNQRIZ-ZWKOTPCHSA-N 1 3 316.493 2.230 20 10 DECDHO COc1ccc(N2CC[C@H](CN[C@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000818616402 647489000 /nfs/dbraw/zinc/48/90/00/647489000.db2.gz WDQPIVYHIUBPKL-RKVPGOIHSA-N 1 3 303.450 2.109 20 10 DECDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000844901928 651180599 /nfs/dbraw/zinc/18/05/99/651180599.db2.gz JIPLGALPZOCFFF-VMGRFDJRSA-N 1 3 308.397 2.250 20 10 DECDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000844901928 651180604 /nfs/dbraw/zinc/18/06/04/651180604.db2.gz JIPLGALPZOCFFF-VMGRFDJRSA-N 1 3 308.397 2.250 20 10 DECDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[O-])C1 ZINC000844911241 651182180 /nfs/dbraw/zinc/18/21/80/651182180.db2.gz MLVGAEVJZQFVPK-VYDXJSESSA-N 1 3 308.397 2.392 20 10 DECDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2[O-])C1 ZINC000844911241 651182181 /nfs/dbraw/zinc/18/21/81/651182181.db2.gz MLVGAEVJZQFVPK-VYDXJSESSA-N 1 3 308.397 2.392 20 10 DECDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1C ZINC000850565792 651953524 /nfs/dbraw/zinc/95/35/24/651953524.db2.gz HZZVGDAOSQHREQ-WBVHZDCISA-N 1 3 317.477 2.220 20 10 DECDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1C ZINC000850565792 651953529 /nfs/dbraw/zinc/95/35/29/651953529.db2.gz HZZVGDAOSQHREQ-WBVHZDCISA-N 1 3 317.477 2.220 20 10 DECDHO C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000854231907 652662867 /nfs/dbraw/zinc/66/28/67/652662867.db2.gz OYWHQJSXMYBFNC-CQSZACIVSA-N 1 3 319.449 2.033 20 10 DECDHO NC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000863482086 686508251 /nfs/dbraw/zinc/50/82/51/686508251.db2.gz SASCYGFWWRVYNS-UHFFFAOYSA-N 1 3 303.450 2.274 20 10 DECDHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2c(C)cccc2O)CC1 ZINC000877015835 689997954 /nfs/dbraw/zinc/99/79/54/689997954.db2.gz DAMODJKVXAMZQH-HNNXBMFYSA-N 1 3 305.466 2.064 20 10 DECDHO COc1cc(CN2CCCOC(C)(C)C2)cc(C[NH+](C)C)c1O ZINC001139257035 796350523 /nfs/dbraw/zinc/35/05/23/796350523.db2.gz PKEQSTZNVJBSTC-UHFFFAOYSA-N 1 3 322.449 2.463 20 10 DECDHO COc1cc(CN2CC[C@@]3(CCCO3)C2)cc(C[NH+](C)C)c1O ZINC001139255705 796350546 /nfs/dbraw/zinc/35/05/46/796350546.db2.gz ROWKVGMTWSRTPA-SFHVURJKSA-N 1 3 320.433 2.217 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](O)CC3)cc2)CC1 ZINC001140302012 796503936 /nfs/dbraw/zinc/50/39/36/796503936.db2.gz HHOJSZGSDWFEKN-LJQANCHMSA-N 1 3 317.477 2.175 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](O)CC3)cc2)CC1 ZINC001140302012 796503938 /nfs/dbraw/zinc/50/39/38/796503938.db2.gz HHOJSZGSDWFEKN-LJQANCHMSA-N 1 3 317.477 2.175 20 10 DECDHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(N)cc2)[C@@H](C)C1 ZINC001578107879 1066986219 /nfs/dbraw/zinc/98/62/19/1066986219.db2.gz MCFGNQOIEPJENP-YJBOKZPZSA-N 1 3 305.466 2.495 20 10 DECDHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(N)cc2)[C@@H](C)C1 ZINC001578107879 1066986230 /nfs/dbraw/zinc/98/62/30/1066986230.db2.gz MCFGNQOIEPJENP-YJBOKZPZSA-N 1 3 305.466 2.495 20 10 DECDHO C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(F)ccc1[O-] ZINC000185648238 402366974 /nfs/dbraw/zinc/36/69/74/402366974.db2.gz FXVMDQUFLXNYBY-ZDUSSCGKSA-N 1 3 309.429 2.208 20 10 DECDHO Cc1ccc(O)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000378371992 534195572 /nfs/dbraw/zinc/19/55/72/534195572.db2.gz QSYNPUCCARNXNK-SOLBZPMBSA-N 1 3 304.434 2.384 20 10 DECDHO COc1ccc(CNC2CC[NH+](C(C)C)CC2)c(O)c1OC ZINC000892480455 625859992 /nfs/dbraw/zinc/85/99/92/625859992.db2.gz CBZPVBSERSMLSP-UHFFFAOYSA-N 1 3 308.422 2.372 20 10 DECDHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517425 643062221 /nfs/dbraw/zinc/06/22/21/643062221.db2.gz MEBIBJGBYSZLND-QGTPRVQTSA-N 1 3 304.482 2.085 20 10 DECDHO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCC[NH2+]1 ZINC000902517929 643062353 /nfs/dbraw/zinc/06/23/53/643062353.db2.gz OVGBMYKREQCOFT-QGTPRVQTSA-N 1 3 304.482 2.085 20 10 DECDHO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3CN)C2)cc1 ZINC000818614405 647488795 /nfs/dbraw/zinc/48/87/95/647488795.db2.gz ABSGNTWABZXIJD-IIDMSEBBSA-N 1 3 303.450 2.239 20 10 DECDHO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@@H]3CN)C2)cc1 ZINC000818614406 647489229 /nfs/dbraw/zinc/48/92/29/647489229.db2.gz ABSGNTWABZXIJD-RKVPGOIHSA-N 1 3 303.450 2.239 20 10 DECDHO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3CN)C2)cc1 ZINC000854217761 652659382 /nfs/dbraw/zinc/65/93/82/652659382.db2.gz PXGDUOYVCKDZGG-RVKKMQEKSA-N 1 3 303.450 2.381 20 10 DECDHO CC1(C)C[NH2+]CC[C@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000872252550 688964945 /nfs/dbraw/zinc/96/49/45/688964945.db2.gz TYCCFCXNKQVEJE-KRWDZBQOSA-N 1 3 317.477 2.391 20 10 DECDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1[O-] ZINC000925817718 693347610 /nfs/dbraw/zinc/34/76/10/693347610.db2.gz VZDXAGNNWMFCEL-LBPRGKRZSA-N 1 3 311.857 2.428 20 10 DECDHO COc1cc(CN2CCC[C@]23CCOC3)cc(C[NH+](C)C)c1O ZINC001139258812 796350329 /nfs/dbraw/zinc/35/03/29/796350329.db2.gz XCPCVGYKDFGLQO-GOSISDBHSA-N 1 3 320.433 2.217 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](C)C3)cc2)CC1 ZINC001140301999 796504110 /nfs/dbraw/zinc/50/41/10/796504110.db2.gz HBQOIIBNUTVXBD-VQIMIIECSA-N 1 3 317.477 2.031 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@H](C)C3)cc2)CC1 ZINC001140301999 796504113 /nfs/dbraw/zinc/50/41/13/796504113.db2.gz HBQOIIBNUTVXBD-VQIMIIECSA-N 1 3 317.477 2.031 20 10 DECDHO COc1cc([O-])c(C[N@H+](C)CC2CC[NH+](C)CC2)c(OC)c1 ZINC001141028135 796620708 /nfs/dbraw/zinc/62/07/08/796620708.db2.gz CFJGHSKUOGAASE-UHFFFAOYSA-N 1 3 308.422 2.183 20 10 DECDHO COc1cc([O-])c(C[N@@H+](C)CC2CC[NH+](C)CC2)c(OC)c1 ZINC001141028135 796620710 /nfs/dbraw/zinc/62/07/10/796620710.db2.gz CFJGHSKUOGAASE-UHFFFAOYSA-N 1 3 308.422 2.183 20 10 DECDHO CC[NH+](CC)CCN1CCN(Cc2c(C)cc(C)cc2O)CC1 ZINC001231841779 801735883 /nfs/dbraw/zinc/73/58/83/801735883.db2.gz ISTNUFIZDYAPDY-UHFFFAOYSA-N 1 3 319.493 2.468 20 10 DECDHO CCN1CCN(c2ccc(O[C@@H](C)C[N+](C)(C)C)cc2)CC1 ZINC001234660087 1084190671 /nfs/dbraw/zinc/19/06/71/1084190671.db2.gz DDGXEEBOBNIVLO-INIZCTEOSA-N 1 3 306.474 2.302 20 10 DECDHO C[NH+](C)CCC1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000092381305 185314667 /nfs/dbraw/zinc/31/46/67/185314667.db2.gz ZTSLICPCSMYYKU-UHFFFAOYSA-N 1 3 306.406 2.285 20 10 DECDHO CN1CCC(O)(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000265909381 530050928 /nfs/dbraw/zinc/05/09/28/530050928.db2.gz XIQAQDIFQBWKBD-UHFFFAOYSA-N 1 3 317.477 2.223 20 10 DECDHO COc1ccc([O-])c([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000185647851 402366899 /nfs/dbraw/zinc/36/68/99/402366899.db2.gz YNLMQFXSLFPOKH-AWEZNQCLSA-N 1 3 321.465 2.077 20 10 DECDHO CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1[O-] ZINC000185210532 402334676 /nfs/dbraw/zinc/33/46/76/402334676.db2.gz QXZPEHQAJSRTCH-QGZVFWFLSA-N 1 3 305.466 2.461 20 10 DECDHO CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1[O-] ZINC000185210532 402334677 /nfs/dbraw/zinc/33/46/77/402334677.db2.gz QXZPEHQAJSRTCH-QGZVFWFLSA-N 1 3 305.466 2.461 20 10 DECDHO CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1[O-] ZINC000185210518 402334833 /nfs/dbraw/zinc/33/48/33/402334833.db2.gz QXZPEHQAJSRTCH-KRWDZBQOSA-N 1 3 305.466 2.461 20 10 DECDHO CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1[O-] ZINC000185210518 402334836 /nfs/dbraw/zinc/33/48/36/402334836.db2.gz QXZPEHQAJSRTCH-KRWDZBQOSA-N 1 3 305.466 2.461 20 10 DECDHO C[C@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)c2c1c(F)ccc2[O-] ZINC000925811323 635509698 /nfs/dbraw/zinc/50/96/98/635509698.db2.gz HXMWKJAPOJGULZ-SMDDNHRTSA-N 1 3 307.413 2.092 20 10 DECDHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2F)C[C@H](C)O1 ZINC000817889080 647372137 /nfs/dbraw/zinc/37/21/37/647372137.db2.gz RVMDMLITTYKROF-DLTLXFJOSA-N 1 3 321.440 2.409 20 10 DECDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)c1[O-] ZINC000817935079 647386871 /nfs/dbraw/zinc/38/68/71/647386871.db2.gz GCHMJSLCBQAHNT-CYBMUJFWSA-N 1 3 311.857 2.300 20 10 DECDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)c1[O-] ZINC000817935080 647387394 /nfs/dbraw/zinc/38/73/94/647387394.db2.gz GCHMJSLCBQAHNT-ZDUSSCGKSA-N 1 3 311.857 2.300 20 10 DECDHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000848716619 651496368 /nfs/dbraw/zinc/49/63/68/651496368.db2.gz FOKFBHCCIDOTSF-ZWKOTPCHSA-N 1 3 317.477 2.255 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CCOC[C@@H](C)C3)cc2)CC1 ZINC001140301892 796504169 /nfs/dbraw/zinc/50/41/69/796504169.db2.gz CKWMNIABCREUHS-KRWDZBQOSA-N 1 3 317.477 2.297 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CCOC[C@@H](C)C3)cc2)CC1 ZINC001140301892 796504171 /nfs/dbraw/zinc/50/41/71/796504171.db2.gz CKWMNIABCREUHS-KRWDZBQOSA-N 1 3 317.477 2.297 20 10 DECDHO CCO[C@@H]1CC[N@H+](Cc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001140309560 796504608 /nfs/dbraw/zinc/50/46/08/796504608.db2.gz LRCKGKRBJLLUHA-LJQANCHMSA-N 1 3 317.477 2.439 20 10 DECDHO CCO[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001140309560 796504611 /nfs/dbraw/zinc/50/46/11/796504611.db2.gz LRCKGKRBJLLUHA-LJQANCHMSA-N 1 3 317.477 2.439 20 10 DECDHO COc1cc(CN(C(C)C)C2CC[NH+](C)CC2)cc(O)c1O ZINC001204351970 800208255 /nfs/dbraw/zinc/20/82/55/800208255.db2.gz XSELMWUEJROOKS-UHFFFAOYSA-N 1 3 308.422 2.411 20 10 DECDHO CN1CCN(c2ccc(CN[C@@H](C[NH3+])C(C)(C)C)cc2F)CC1 ZINC001328682463 1148823992 /nfs/dbraw/zinc/82/39/92/1148823992.db2.gz VAZFVHWVYGYJEO-KRWDZBQOSA-N 1 3 322.472 2.041 20 10 DECDHO CN1CCN(c2ccc(C[NH2+][C@@H](CN)C(C)(C)C)cc2F)CC1 ZINC001328682463 1148823993 /nfs/dbraw/zinc/82/39/93/1148823993.db2.gz VAZFVHWVYGYJEO-KRWDZBQOSA-N 1 3 322.472 2.041 20 10 DECDHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(N)cc2)[C@H](C)C1 ZINC001578107877 1066986554 /nfs/dbraw/zinc/98/65/54/1066986554.db2.gz MCFGNQOIEPJENP-QAPCUYQASA-N 1 3 305.466 2.495 20 10 DECDHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(N)cc2)[C@H](C)C1 ZINC001578107877 1066986562 /nfs/dbraw/zinc/98/65/62/1066986562.db2.gz MCFGNQOIEPJENP-QAPCUYQASA-N 1 3 305.466 2.495 20 10 DECDHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(N)cc2)[C@@H](C)C1 ZINC001578107875 1066986625 /nfs/dbraw/zinc/98/66/25/1066986625.db2.gz MCFGNQOIEPJENP-MAUKXSAKSA-N 1 3 305.466 2.495 20 10 DECDHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(N)cc2)[C@@H](C)C1 ZINC001578107875 1066986632 /nfs/dbraw/zinc/98/66/32/1066986632.db2.gz MCFGNQOIEPJENP-MAUKXSAKSA-N 1 3 305.466 2.495 20 10 DECDHO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1OC ZINC001276790873 1083613316 /nfs/dbraw/zinc/61/33/16/1083613316.db2.gz VWRTWBUYFRJPBF-GOSISDBHSA-N 1 3 320.433 2.327 20 10 DECDHO COc1cc(O)c(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1OC ZINC001276790873 1083613322 /nfs/dbraw/zinc/61/33/22/1083613322.db2.gz VWRTWBUYFRJPBF-GOSISDBHSA-N 1 3 320.433 2.327 20 10 DECDHO COc1cc(C)c(CN2CCN(c3cc[nH+]cc3)CC2)c(O)c1 ZINC001236817144 1138438382 /nfs/dbraw/zinc/43/83/82/1138438382.db2.gz DISAXBHKZBFMQJ-UHFFFAOYSA-N 1 3 313.401 2.426 20 10 DECDHO CN(C)c1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256686794 1143862338 /nfs/dbraw/zinc/86/23/38/1143862338.db2.gz UXFWRVHPMWSPNT-UHFFFAOYSA-N 1 3 317.477 2.486 20 10 DECDHO COc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000185647866 402367100 /nfs/dbraw/zinc/36/71/00/402367100.db2.gz YNLMQFXSLFPOKH-CQSZACIVSA-N 1 3 321.465 2.077 20 10 DECDHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000375774411 337019255 /nfs/dbraw/zinc/01/92/55/337019255.db2.gz BRKAFRHUSJYOMY-GOSISDBHSA-N 1 3 317.477 2.439 20 10 DECDHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000375774411 337019256 /nfs/dbraw/zinc/01/92/56/337019256.db2.gz BRKAFRHUSJYOMY-GOSISDBHSA-N 1 3 317.477 2.439 20 10 DECDHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297513860 535719558 /nfs/dbraw/zinc/71/95/58/535719558.db2.gz CSMJABAWMNFNHH-NVXWUHKLSA-N 1 3 317.477 2.243 20 10 DECDHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045053 650875814 /nfs/dbraw/zinc/87/58/14/650875814.db2.gz HEYRCDBFXUDNMP-QAPCUYQASA-N 1 3 303.450 2.225 20 10 DECDHO C[C@@H](N)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045053 650875817 /nfs/dbraw/zinc/87/58/17/650875817.db2.gz HEYRCDBFXUDNMP-QAPCUYQASA-N 1 3 303.450 2.225 20 10 DECDHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843051031 650877967 /nfs/dbraw/zinc/87/79/67/650877967.db2.gz DENGXNDNURXTNG-WBVHZDCISA-N 1 3 303.450 2.082 20 10 DECDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895845 647375118 /nfs/dbraw/zinc/37/51/18/647375118.db2.gz WYAVZSYGXCEIJN-CHWSQXEVSA-N 1 3 309.429 2.002 20 10 DECDHO COc1cc(O)c(CN2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC ZINC000844902892 651181009 /nfs/dbraw/zinc/18/10/09/651181009.db2.gz WLQUCVWGOMTDLM-GXTWGEPZSA-N 1 3 308.422 2.359 20 10 DECDHO CCc1cccc(CN2CCOC3(CC[NH+](C)CC3)C2)c1O ZINC000848920131 651562283 /nfs/dbraw/zinc/56/22/83/651562283.db2.gz XYFBVOKZGFCSLQ-UHFFFAOYSA-N 1 3 304.434 2.251 20 10 DECDHO COc1ccc(N2CC[C@H](N[C@H]3CC[NH2+]CC[C@H]3C)C2)cc1 ZINC000854217209 652658483 /nfs/dbraw/zinc/65/84/83/652658483.db2.gz KZRYYZOHDBARIG-VKJFTORMSA-N 1 3 303.450 2.252 20 10 DECDHO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)[C@@H]3CCCCN3)C2)cc1 ZINC000854217676 652658911 /nfs/dbraw/zinc/65/89/11/652658911.db2.gz OPLGFWJTGFLPQW-DAYGRLMNSA-N 1 3 303.450 2.394 20 10 DECDHO C[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc(N2CCOCC2)cc1 ZINC000925483489 693280504 /nfs/dbraw/zinc/28/05/04/693280504.db2.gz ZQLCREHCBZORBD-JCGIZDLHSA-N 1 3 315.461 2.444 20 10 DECDHO COc1cc(C[N@H+](C)CC2CCOCC2)cc(C[NH+](C)C)c1[O-] ZINC001139256228 796350480 /nfs/dbraw/zinc/35/04/80/796350480.db2.gz XAYQSVGIFCPWIN-UHFFFAOYSA-N 1 3 322.449 2.321 20 10 DECDHO COc1cc(C[N@@H+](C)CC2CCOCC2)cc(C[NH+](C)C)c1[O-] ZINC001139256228 796350483 /nfs/dbraw/zinc/35/04/83/796350483.db2.gz XAYQSVGIFCPWIN-UHFFFAOYSA-N 1 3 322.449 2.321 20 10 DECDHO COc1cc(CN2CC[C@H]3OCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139259016 796351429 /nfs/dbraw/zinc/35/14/29/796351429.db2.gz DVDQQXXHDGIOFO-GDBMZVCRSA-N 1 3 320.433 2.073 20 10 DECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@]34CCOC4)cc2)CC1 ZINC001140309871 796505344 /nfs/dbraw/zinc/50/53/44/796505344.db2.gz XXYZUWICJISQJG-IBGZPJMESA-N 1 3 315.461 2.193 20 10 DECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@]34CCOC4)cc2)CC1 ZINC001140309871 796505348 /nfs/dbraw/zinc/50/53/48/796505348.db2.gz XXYZUWICJISQJG-IBGZPJMESA-N 1 3 315.461 2.193 20 10 DECDHO C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)CC1 ZINC000270021830 403178614 /nfs/dbraw/zinc/17/86/14/403178614.db2.gz FODBXNFPLREFSL-AWEZNQCLSA-N 1 3 318.417 2.285 20 10 DECDHO C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)CC1 ZINC000270021830 403178618 /nfs/dbraw/zinc/17/86/18/403178618.db2.gz FODBXNFPLREFSL-AWEZNQCLSA-N 1 3 318.417 2.285 20 10 DECDHO COc1cccc([O-])c1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000841099951 650430725 /nfs/dbraw/zinc/43/07/25/650430725.db2.gz QRNJUKYKZZWVNG-YJBOKZPZSA-N 1 3 320.433 2.119 20 10 DECDHO C[C@H](N)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045054 650875753 /nfs/dbraw/zinc/87/57/53/650875753.db2.gz HEYRCDBFXUDNMP-YJBOKZPZSA-N 1 3 303.450 2.225 20 10 DECDHO C[C@H](N)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045054 650875755 /nfs/dbraw/zinc/87/57/55/650875755.db2.gz HEYRCDBFXUDNMP-YJBOKZPZSA-N 1 3 303.450 2.225 20 10 DECDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817895865 647375177 /nfs/dbraw/zinc/37/51/77/647375177.db2.gz XFBHVYNMDAFENQ-LSDHHAIUSA-N 1 3 305.466 2.111 20 10 DECDHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965106 647395920 /nfs/dbraw/zinc/39/59/20/647395920.db2.gz PQYPGOQVKJLICK-CYBMUJFWSA-N 1 3 307.413 2.194 20 10 DECDHO C[C@@H]([NH2+]C[C@@H]1CNCCCO1)c1cc2c(cc1O)CCCC2 ZINC000817981801 647399406 /nfs/dbraw/zinc/39/94/06/647399406.db2.gz NYJVEXXZBLFNSK-CJNGLKHVSA-N 1 3 304.434 2.300 20 10 DECDHO CCCOc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1C ZINC000873058723 689150240 /nfs/dbraw/zinc/15/02/40/689150240.db2.gz IMJMJVIQVVFMSS-UHFFFAOYSA-N 1 3 306.450 2.330 20 10 DECDHO CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1[O-] ZINC000925852497 693353267 /nfs/dbraw/zinc/35/32/67/693353267.db2.gz BZWCKZLBMIWHLP-UKRRQHHQSA-N 1 3 318.417 2.118 20 10 DECDHO