smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C[NH+](CCOc2ccc(CCNCC(C)(C)[NH3+])cc2)C[C@@H]1C ZINC001576807639 1089469221 /nfs/dbraw/zinc/46/92/21/1089469221.db2.gz SNYSMCZMJBRIHD-IRXDYDNUSA-N 2 3 333.520 2.523 20 0 EFADHP COc1ccc(CC2([NH3+])CCN(C3CCC([NH+](C)C)CC3)CC2)cc1 ZINC001168304954 1106460912 /nfs/dbraw/zinc/46/09/12/1106460912.db2.gz CGTHNASRSSYKPH-UHFFFAOYSA-N 2 3 345.531 2.904 20 0 EFADHP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc2c(c1)C[NH2+]CC2 ZINC000904475018 1107965417 /nfs/dbraw/zinc/96/54/17/1107965417.db2.gz XKJZXOIHDKYUSO-UNMCSNQZSA-N 2 3 349.478 2.678 20 0 EFADHP CN(C)CCOCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000353673099 282108183 /nfs/dbraw/zinc/10/81/83/282108183.db2.gz RDCGMPMPXNQSDZ-UHFFFAOYSA-N 2 3 333.520 2.597 20 0 EFADHP CN(C)CCOCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353673099 282108184 /nfs/dbraw/zinc/10/81/84/282108184.db2.gz RDCGMPMPXNQSDZ-UHFFFAOYSA-N 2 3 333.520 2.597 20 0 EFADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422817418 246474907 /nfs/dbraw/zinc/47/49/07/246474907.db2.gz HPNPMXPWVNVUPY-FPOVZHCZSA-N 2 3 345.531 2.775 20 0 EFADHP CCN1CCN(c2ccccc2C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459728438 255924623 /nfs/dbraw/zinc/92/46/23/255924623.db2.gz HXODAWAMIXYQHK-IBGZPJMESA-N 2 3 344.547 2.650 20 0 EFADHP CCN1CCN(c2ccccc2C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459728438 255924624 /nfs/dbraw/zinc/92/46/24/255924624.db2.gz HXODAWAMIXYQHK-IBGZPJMESA-N 2 3 344.547 2.650 20 0 EFADHP COCC1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC[NH2+]CC1 ZINC000414982421 312071068 /nfs/dbraw/zinc/07/10/68/312071068.db2.gz YBBNLIWJNLSYEJ-PKOBYXMFSA-N 2 3 337.552 2.635 20 0 EFADHP COCC1(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CC[NH2+]CC1 ZINC000414982421 312071070 /nfs/dbraw/zinc/07/10/70/312071070.db2.gz YBBNLIWJNLSYEJ-PKOBYXMFSA-N 2 3 337.552 2.635 20 0 EFADHP CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000415021784 312078419 /nfs/dbraw/zinc/07/84/19/312078419.db2.gz IGYNRRMSBJHYBD-WGSAOQKQSA-N 2 3 344.547 2.683 20 0 EFADHP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000568499314 319289854 /nfs/dbraw/zinc/28/98/54/319289854.db2.gz GPPKHECPKIJOAG-JRGCBEDISA-N 2 3 345.531 2.760 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000571073181 319540060 /nfs/dbraw/zinc/54/00/60/319540060.db2.gz CGPRDYYSKBIZHW-DZFGPLHGSA-N 2 3 345.531 2.905 20 0 EFADHP CN(c1ccccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1)C1CCN(C)CC1 ZINC000442925781 476704153 /nfs/dbraw/zinc/70/41/53/476704153.db2.gz WTMUNTMGOOFAAW-SFHVURJKSA-N 2 3 344.547 2.778 20 0 EFADHP CN(c1ccccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1)C1CCN(C)CC1 ZINC000442925781 476704160 /nfs/dbraw/zinc/70/41/60/476704160.db2.gz WTMUNTMGOOFAAW-SFHVURJKSA-N 2 3 344.547 2.778 20 0 EFADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000422915599 476844861 /nfs/dbraw/zinc/84/48/61/476844861.db2.gz YRYDXUSGQLGRLE-USYVTKNRSA-N 2 3 337.552 2.776 20 0 EFADHP C[C@H]1C[N@H+](CCOc2ccc(CCN[C@@H]3CCC[C@@H]3[NH3+])cc2)C[C@H]1C ZINC000423014584 476891351 /nfs/dbraw/zinc/89/13/51/476891351.db2.gz IVJFMBMLRWUBSU-KJNZLNQQSA-N 2 3 345.531 2.665 20 0 EFADHP C[C@H]1C[N@@H+](CCOc2ccc(CCN[C@@H]3CCC[C@@H]3[NH3+])cc2)C[C@H]1C ZINC000423014584 476891356 /nfs/dbraw/zinc/89/13/56/476891356.db2.gz IVJFMBMLRWUBSU-KJNZLNQQSA-N 2 3 345.531 2.665 20 0 EFADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423105456 476929504 /nfs/dbraw/zinc/92/95/04/476929504.db2.gz NKBOTBNMICVSPH-OXJNMPFZSA-N 2 3 331.504 2.637 20 0 EFADHP c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000423254703 476975894 /nfs/dbraw/zinc/97/58/94/476975894.db2.gz ZFTPYCXQJRZZRD-VMXMFDLUSA-N 2 3 327.516 2.876 20 0 EFADHP c1ccc(CN2C[C@@H]3[C@H]([NH2+]CCC4=CC[NH2+]CC4)CC[C@@H]3C2)cc1 ZINC000423534927 477067900 /nfs/dbraw/zinc/06/79/00/477067900.db2.gz BODWTCXIIXWHDU-QHAWAJNXSA-N 2 3 325.500 2.796 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000576218929 479565924 /nfs/dbraw/zinc/56/59/24/479565924.db2.gz DXIFUAXYYHSZOL-USNOLKROSA-N 2 3 345.531 2.903 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000576218929 479565930 /nfs/dbraw/zinc/56/59/30/479565930.db2.gz DXIFUAXYYHSZOL-USNOLKROSA-N 2 3 345.531 2.903 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000576218928 479566865 /nfs/dbraw/zinc/56/68/65/479566865.db2.gz DXIFUAXYYHSZOL-SQBLYHGDSA-N 2 3 345.531 2.903 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000576218928 479566868 /nfs/dbraw/zinc/56/68/68/479566868.db2.gz DXIFUAXYYHSZOL-SQBLYHGDSA-N 2 3 345.531 2.903 20 0 EFADHP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@@H]21 ZINC000647511524 480971147 /nfs/dbraw/zinc/97/11/47/480971147.db2.gz XYPUIYMWFQWSKS-HLAWJBBLSA-N 2 3 343.515 2.720 20 0 EFADHP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000360024562 535554146 /nfs/dbraw/zinc/55/41/46/535554146.db2.gz PAVBXVINEDASGB-XLIONFOSSA-N 2 3 333.520 2.837 20 0 EFADHP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000360024562 535554150 /nfs/dbraw/zinc/55/41/50/535554150.db2.gz PAVBXVINEDASGB-XLIONFOSSA-N 2 3 333.520 2.837 20 0 EFADHP C[NH+]1CCC(CC[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235361854 1313301623 /nfs/dbraw/zinc/30/16/23/1313301623.db2.gz JFXLDIMGSWBAOB-YADHBBJMSA-N 2 3 341.543 2.972 20 0 EFADHP C[NH+]1CCC(CC[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235361854 1313301626 /nfs/dbraw/zinc/30/16/26/1313301626.db2.gz JFXLDIMGSWBAOB-YADHBBJMSA-N 2 3 341.543 2.972 20 0 EFADHP CC[NH+]1CCC(C[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235366745 1313303732 /nfs/dbraw/zinc/30/37/32/1313303732.db2.gz RNXUYKAEUOUBCT-VXKWHMMOSA-N 2 3 341.543 2.972 20 0 EFADHP CC[NH+]1CCC(C[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235366745 1313303733 /nfs/dbraw/zinc/30/37/33/1313303733.db2.gz RNXUYKAEUOUBCT-VXKWHMMOSA-N 2 3 341.543 2.972 20 0 EFADHP C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925093883 1296796568 /nfs/dbraw/zinc/79/65/68/1296796568.db2.gz MFTIQCOMBGZTCG-MJGOQNOKSA-N 2 3 345.531 2.900 20 0 EFADHP C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925093882 1296796884 /nfs/dbraw/zinc/79/68/84/1296796884.db2.gz MFTIQCOMBGZTCG-IEBWSBKVSA-N 2 3 345.531 2.900 20 0 EFADHP COc1ccc(C[N@H+](C[C@@H]2CCCNC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236542265 1313490184 /nfs/dbraw/zinc/49/01/84/1313490184.db2.gz CBKMWGFDVJFREX-GUDVDZBRSA-N 2 3 331.504 2.767 20 0 EFADHP COc1ccc(C[N@@H+](C[C@@H]2CCCNC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236542265 1313490185 /nfs/dbraw/zinc/49/01/85/1313490185.db2.gz CBKMWGFDVJFREX-GUDVDZBRSA-N 2 3 331.504 2.767 20 0 EFADHP CCCN(Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@@H]1CC[NH2+]C1 ZINC001236844707 1313541422 /nfs/dbraw/zinc/54/14/22/1313541422.db2.gz XVDZSHQLYFJEMZ-MRXNPFEDSA-N 2 3 326.488 2.566 20 0 EFADHP CN1CC2(C1)CC[NH+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207294244 1313653807 /nfs/dbraw/zinc/65/38/07/1313653807.db2.gz ODEYFEQRNNPZHQ-UHFFFAOYSA-N 2 3 327.516 2.926 20 0 EFADHP C[N@@H+]1CC[C@@H]2CN(C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208937234 1314052235 /nfs/dbraw/zinc/05/22/35/1314052235.db2.gz QSDPCUFBYUQERM-HBMCJLEFSA-N 2 3 327.516 2.782 20 0 EFADHP C[N@H+]1CC[C@@H]2CN(C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208937234 1314052240 /nfs/dbraw/zinc/05/22/40/1314052240.db2.gz QSDPCUFBYUQERM-HBMCJLEFSA-N 2 3 327.516 2.782 20 0 EFADHP C[NH+]1CC[C@@H]2CN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208937234 1314052242 /nfs/dbraw/zinc/05/22/42/1314052242.db2.gz QSDPCUFBYUQERM-HBMCJLEFSA-N 2 3 327.516 2.782 20 0 EFADHP C[NH+]1CC[C@@H]2CN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208937234 1314052246 /nfs/dbraw/zinc/05/22/46/1314052246.db2.gz QSDPCUFBYUQERM-HBMCJLEFSA-N 2 3 327.516 2.782 20 0 EFADHP [NH3+]CCCCC[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222575307 1311154756 /nfs/dbraw/zinc/15/47/56/1311154756.db2.gz NAJTZHLRUQFNCT-HXUWFJFHSA-N 2 3 345.531 2.919 20 0 EFADHP [NH3+]CCCCC[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222575307 1311154759 /nfs/dbraw/zinc/15/47/59/1311154759.db2.gz NAJTZHLRUQFNCT-HXUWFJFHSA-N 2 3 345.531 2.919 20 0 EFADHP CN(C)C1(CNc2ccc([C@@H]3CCC[NH2+]C3)cc2)CC[NH+](C)CC1 ZINC001164215376 1312470494 /nfs/dbraw/zinc/47/04/94/1312470494.db2.gz CYXNBIHZAISZTL-GOSISDBHSA-N 2 3 330.520 2.592 20 0 EFADHP Fc1ccccc1CN1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246361992 1314615633 /nfs/dbraw/zinc/61/56/33/1314615633.db2.gz QAVATLLFEFQYBX-DFNIBXOVSA-N 2 3 331.479 2.910 20 0 EFADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3Cl)CC[NH2+]CC2)CCN1 ZINC001246372583 1314617304 /nfs/dbraw/zinc/61/73/04/1314617304.db2.gz SUZHUHCIXLRVHP-WBVHZDCISA-N 2 3 335.923 2.982 20 0 EFADHP COc1ccc(C2(NC3CCC4(CC[NH2+]C4)CC3)CC[NH2+]CC2)cc1 ZINC001246381112 1314619155 /nfs/dbraw/zinc/61/91/55/1314619155.db2.gz OMJMAGDXFFEDCY-UHFFFAOYSA-N 2 3 343.515 2.786 20 0 EFADHP Fc1ccccc1CC1([NH2+]C2CCC3(C[NH2+]C3)CC2)CCNCC1 ZINC001246381936 1314619650 /nfs/dbraw/zinc/61/96/50/1314619650.db2.gz UXHCMLUKNKBXTR-UHFFFAOYSA-N 2 3 331.479 2.612 20 0 EFADHP COc1cccc(C2(C[NH2+][C@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246384284 1314620311 /nfs/dbraw/zinc/62/03/11/1314620311.db2.gz BBEYKNKXGOMGOA-SFHVURJKSA-N 2 3 343.515 2.581 20 0 EFADHP COc1ccccc1C1(CN[C@@H]2CC[NH2+][C@@H](C(C)C)C2)CC[NH2+]CC1 ZINC001246415883 1314626622 /nfs/dbraw/zinc/62/66/22/1314626622.db2.gz MWRUMKQQEPTBOE-IEBWSBKVSA-N 2 3 345.531 2.683 20 0 EFADHP CCCC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246418116 1314626641 /nfs/dbraw/zinc/62/66/41/1314626641.db2.gz BPFQGHNHZPVQEL-MOPGFXCFSA-N 2 3 344.547 2.894 20 0 EFADHP COc1ccccc1C1(CN[C@H]2CC[NH2+][C@@H](C(C)C)C2)CC[NH2+]CC1 ZINC001246415885 1314626714 /nfs/dbraw/zinc/62/67/14/1314626714.db2.gz MWRUMKQQEPTBOE-PKOBYXMFSA-N 2 3 345.531 2.683 20 0 EFADHP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)CCN1 ZINC001246416881 1314626948 /nfs/dbraw/zinc/62/69/48/1314626948.db2.gz UVIOSBJYFKTCBV-MAUKXSAKSA-N 2 3 335.923 2.982 20 0 EFADHP COc1ccccc1C1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]CC1 ZINC001246418265 1314626995 /nfs/dbraw/zinc/62/69/95/1314626995.db2.gz YJWVLBYWODDGNL-PIIMJCKOSA-N 2 3 343.515 2.579 20 0 EFADHP C[C@H]1C[C@@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)CCN1 ZINC001246425521 1314627803 /nfs/dbraw/zinc/62/78/03/1314627803.db2.gz LLUVDYZBIOQZLF-YJBOKZPZSA-N 2 3 335.923 2.982 20 0 EFADHP FC(F)(F)c1ccccc1C1(C[NH2+]C2CCNCC2)CC[NH2+]CC1 ZINC001246424220 1314627926 /nfs/dbraw/zinc/62/79/26/1314627926.db2.gz SJCIOJLCQUPDRT-UHFFFAOYSA-N 2 3 341.421 2.668 20 0 EFADHP FC(F)(F)c1ccccc1C1(CNC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246424220 1314627929 /nfs/dbraw/zinc/62/79/29/1314627929.db2.gz SJCIOJLCQUPDRT-UHFFFAOYSA-N 2 3 341.421 2.668 20 0 EFADHP CCCC[C@@H]1C[C@@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246424434 1314627958 /nfs/dbraw/zinc/62/79/58/1314627958.db2.gz VDFIIWICECSXEI-MOPGFXCFSA-N 2 3 330.520 2.603 20 0 EFADHP CC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246431221 1314628378 /nfs/dbraw/zinc/62/83/78/1314628378.db2.gz CQNYRLIJKRATCJ-ROUUACIJSA-N 2 3 333.495 2.858 20 0 EFADHP CC1(C)C[C@H]([NH2+]CC2(Cc3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246435965 1314629250 /nfs/dbraw/zinc/62/92/50/1314629250.db2.gz UAYZMBHKXIDKBF-QGZVFWFLSA-N 2 3 333.495 2.858 20 0 EFADHP Fc1cccc(CC2([NH2+]C3CCC4(C[NH2+]C4)CC3)CCNCC2)c1 ZINC001246449720 1314629945 /nfs/dbraw/zinc/62/99/45/1314629945.db2.gz CINNDKGTMHYNEI-UHFFFAOYSA-N 2 3 331.479 2.612 20 0 EFADHP c1ccc2c(c1)C[NH2+]CC21CC[NH+]([C@@H]2CCNC3(CCC3)C2)CC1 ZINC001246639532 1314661879 /nfs/dbraw/zinc/66/18/79/1314661879.db2.gz OZMCTBVHEDPEIH-GOSISDBHSA-N 2 3 325.500 2.798 20 0 EFADHP c1ccc2c(c1)C[NH2+]CC21CC[NH+]([C@H]2CCNC3(CCC3)C2)CC1 ZINC001246639534 1314662053 /nfs/dbraw/zinc/66/20/53/1314662053.db2.gz OZMCTBVHEDPEIH-SFHVURJKSA-N 2 3 325.500 2.798 20 0 EFADHP Cc1ccc(C[N@H+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@H]3C2)cc1 ZINC001246712275 1314675053 /nfs/dbraw/zinc/67/50/53/1314675053.db2.gz ZFXGQIDLELKPJP-JUJYPNOZSA-N 2 3 325.500 2.642 20 0 EFADHP Cc1ccc(C[N@@H+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@H]3C2)cc1 ZINC001246712275 1314675055 /nfs/dbraw/zinc/67/50/55/1314675055.db2.gz ZFXGQIDLELKPJP-JUJYPNOZSA-N 2 3 325.500 2.642 20 0 EFADHP c1ccc(CN(C2CC[NH2+]CC2)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC001246955911 1314714899 /nfs/dbraw/zinc/71/48/99/1314714899.db2.gz VNTLMIYPFQNJDI-WOJBJXKFSA-N 2 3 328.504 2.558 20 0 EFADHP Cc1cc(F)ccc1C[N@H+]([C@@H]1CCC2(C[NH2+]C2)C1)C1CCNCC1 ZINC001246960815 1314716337 /nfs/dbraw/zinc/71/63/37/1314716337.db2.gz OGFFCKONCZVXMA-LJQANCHMSA-N 2 3 331.479 2.830 20 0 EFADHP Cc1cc(F)ccc1C[N@@H+]([C@@H]1CCC2(C[NH2+]C2)C1)C1CCNCC1 ZINC001246960815 1314716340 /nfs/dbraw/zinc/71/63/40/1314716340.db2.gz OGFFCKONCZVXMA-LJQANCHMSA-N 2 3 331.479 2.830 20 0 EFADHP COc1ccc(C[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)cc1F ZINC001246965688 1314718100 /nfs/dbraw/zinc/71/81/00/1314718100.db2.gz QEDIFAZTVXITCZ-KRWDZBQOSA-N 2 3 347.478 2.530 20 0 EFADHP COc1ccc(C[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)cc1F ZINC001246965688 1314718104 /nfs/dbraw/zinc/71/81/04/1314718104.db2.gz QEDIFAZTVXITCZ-KRWDZBQOSA-N 2 3 347.478 2.530 20 0 EFADHP COc1ccc(CN([C@H]2CCC3(C[NH2+]C3)C2)C2CC[NH2+]CC2)cc1F ZINC001246965688 1314718109 /nfs/dbraw/zinc/71/81/09/1314718109.db2.gz QEDIFAZTVXITCZ-KRWDZBQOSA-N 2 3 347.478 2.530 20 0 EFADHP CC[NH+](CC)C[C@H](O)CNCC1CC[NH+](CC2CCCCC2)CC1 ZINC001253213206 1315581706 /nfs/dbraw/zinc/58/17/06/1315581706.db2.gz RNOJTNOODIXTOB-HXUWFJFHSA-N 2 3 339.568 2.571 20 0 EFADHP CC[NH+](CC)CCC[C@H](C)N1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001258905121 1316191005 /nfs/dbraw/zinc/19/10/05/1316191005.db2.gz UWGMPFOLWPJWKH-SFHVURJKSA-N 2 3 332.536 2.928 20 0 EFADHP [NH3+]CC1(c2ccccc2)CC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC001550943484 1413813656 /nfs/dbraw/zinc/81/36/56/1413813656.db2.gz GDKZHUGGHXPZPQ-RKDVLTNBSA-N 2 3 327.516 2.803 20 0 EFADHP COCCC[NH+]1CCC(N[C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924913997 721707061 /nfs/dbraw/zinc/70/70/61/721707061.db2.gz ZZRIYLMDQZBJAI-KRWDZBQOSA-N 2 3 333.520 2.900 20 0 EFADHP CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924948424 721822111 /nfs/dbraw/zinc/82/21/11/721822111.db2.gz CTXBCWYPRVKTGK-OALUTQOASA-N 2 3 346.563 2.672 20 0 EFADHP C[C@H]1C[N@H+](CCOc2ccc(CCNCC(C)(C)[NH3+])cc2)C[C@H]1C ZINC001576807637 1089468822 /nfs/dbraw/zinc/46/88/22/1089468822.db2.gz SNYSMCZMJBRIHD-CALCHBBNSA-N 2 3 333.520 2.523 20 0 EFADHP C[C@H]1C[N@@H+](CCOc2ccc(CCNCC(C)(C)[NH3+])cc2)C[C@H]1C ZINC001576807637 1089468831 /nfs/dbraw/zinc/46/88/31/1089468831.db2.gz SNYSMCZMJBRIHD-CALCHBBNSA-N 2 3 333.520 2.523 20 0 EFADHP CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000442918564 283350146 /nfs/dbraw/zinc/35/01/46/283350146.db2.gz CXPIHYHUJIFMST-IBGZPJMESA-N 2 3 344.547 2.779 20 0 EFADHP CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000442918564 283350148 /nfs/dbraw/zinc/35/01/48/283350148.db2.gz CXPIHYHUJIFMST-IBGZPJMESA-N 2 3 344.547 2.779 20 0 EFADHP CN(c1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000414842092 312057184 /nfs/dbraw/zinc/05/71/84/312057184.db2.gz OWNVGTKSLDIMEL-GOSISDBHSA-N 2 3 344.547 2.696 20 0 EFADHP CN(c1ccccc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1)C1CCN(C)CC1 ZINC000415012458 312077034 /nfs/dbraw/zinc/07/70/34/312077034.db2.gz XHGBOZGNTSVDJH-HKUYNNGSSA-N 2 3 344.547 2.824 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000568499312 319289749 /nfs/dbraw/zinc/28/97/49/319289749.db2.gz GPPKHECPKIJOAG-DZFGPLHGSA-N 2 3 345.531 2.760 20 0 EFADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000422723262 476745644 /nfs/dbraw/zinc/74/56/44/476745644.db2.gz QQRUIMHBMUPURW-TZIWHRDSSA-N 2 3 341.499 2.706 20 0 EFADHP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000422723259 476745950 /nfs/dbraw/zinc/74/59/50/476745950.db2.gz QQRUIMHBMUPURW-CTNGQTDRSA-N 2 3 341.499 2.706 20 0 EFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H]3CN)CC2)cc1 ZINC000422777510 476770626 /nfs/dbraw/zinc/77/06/26/476770626.db2.gz FOJQQNVCBIUOLZ-QUCCMNQESA-N 2 3 331.504 2.624 20 0 EFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCNCC[C@@H]3C)CC2)cc1 ZINC000422775501 476771311 /nfs/dbraw/zinc/77/13/11/476771311.db2.gz ANYNXCCBXGEYJK-UWJYYQICSA-N 2 3 345.531 2.885 20 0 EFADHP C[C@@H]1C[NH+](CCOc2ccc(CCN[C@@H]3CCC[C@H]3[NH3+])cc2)C[C@H]1C ZINC000423014582 476890929 /nfs/dbraw/zinc/89/09/29/476890929.db2.gz IVJFMBMLRWUBSU-DEPWHIHDSA-N 2 3 345.531 2.665 20 0 EFADHP c1cc(OCC[NH+]2CCCC2)ccc1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423014785 476891657 /nfs/dbraw/zinc/89/16/57/476891657.db2.gz JJWJUKPJXHMXST-YOFSQIOKSA-N 2 3 343.515 2.576 20 0 EFADHP c1ccc(CN2C[C@H]3CCC[C@@H]([NH2+]CC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423331146 476996623 /nfs/dbraw/zinc/99/66/23/476996623.db2.gz CKNIAVPFHSOKNX-NJDAHSKKSA-N 2 3 325.500 2.796 20 0 EFADHP c1ccc(CN2C[C@H]3[C@@H](C2)CCC[C@H]3[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423331149 476998310 /nfs/dbraw/zinc/99/83/10/476998310.db2.gz CKNIAVPFHSOKNX-QHAWAJNXSA-N 2 3 325.500 2.796 20 0 EFADHP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(OCCN(C)C)c1 ZINC000423555625 477070836 /nfs/dbraw/zinc/07/08/36/477070836.db2.gz YFOUMNUDAUARQG-GDAAHCPNSA-N 2 3 331.504 2.666 20 0 EFADHP C[C@@H]1CN(CCC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000420318199 477687515 /nfs/dbraw/zinc/68/75/15/477687515.db2.gz NUMFLUBWJNOIJG-WSTZPKSXSA-N 2 3 337.552 2.587 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000576218927 479566317 /nfs/dbraw/zinc/56/63/17/479566317.db2.gz DXIFUAXYYHSZOL-SEONNTABSA-N 2 3 345.531 2.903 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000576218927 479566324 /nfs/dbraw/zinc/56/63/24/479566324.db2.gz DXIFUAXYYHSZOL-SEONNTABSA-N 2 3 345.531 2.903 20 0 EFADHP C[NH+](C)CCOc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000647483209 480961210 /nfs/dbraw/zinc/96/12/10/480961210.db2.gz CAOLZYNGRSLHMB-FQEVSTJZSA-N 2 3 331.504 2.591 20 0 EFADHP [NH3+]CC[C@@H]1CCCCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000647541417 480990718 /nfs/dbraw/zinc/99/07/18/480990718.db2.gz ZTVAZHQTWWSPNW-IBGZPJMESA-N 2 3 331.504 2.865 20 0 EFADHP CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543363 480993921 /nfs/dbraw/zinc/99/39/21/480993921.db2.gz LUCQKOGYLFSQQK-VQTJNVASSA-N 2 3 345.531 2.839 20 0 EFADHP CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543363 480993925 /nfs/dbraw/zinc/99/39/25/480993925.db2.gz LUCQKOGYLFSQQK-VQTJNVASSA-N 2 3 345.531 2.839 20 0 EFADHP c1csc(CN2CCC(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647788395 481106387 /nfs/dbraw/zinc/10/63/87/481106387.db2.gz IQYCGJXZEQBZTB-RCCFBDPRSA-N 2 3 333.545 2.938 20 0 EFADHP [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000650708602 481277389 /nfs/dbraw/zinc/27/73/89/481277389.db2.gz GRJUXNIRDGGRKN-FPOVZHCZSA-N 2 3 343.515 2.722 20 0 EFADHP c1cc(CN2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)ccn1 ZINC000665240581 481739539 /nfs/dbraw/zinc/73/95/39/481739539.db2.gz NXAHGFCRJJDFNZ-PCCBWWKXSA-N 2 3 342.531 2.804 20 0 EFADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000663492914 482264217 /nfs/dbraw/zinc/26/42/17/482264217.db2.gz DWCGRRASUWBFDJ-AYWYSENESA-N 2 3 329.532 2.904 20 0 EFADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000663492914 482264222 /nfs/dbraw/zinc/26/42/22/482264222.db2.gz DWCGRRASUWBFDJ-AYWYSENESA-N 2 3 329.532 2.904 20 0 EFADHP C[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000671302490 547553022 /nfs/dbraw/zinc/55/30/22/547553022.db2.gz VAHHUSFHYAUBHJ-KRWDZBQOSA-N 2 3 345.531 2.980 20 0 EFADHP C[NH+](C)CCOc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000685470641 550156582 /nfs/dbraw/zinc/15/65/82/550156582.db2.gz ABWVAEJFXQQPEW-ICSRJNTNSA-N 2 3 331.504 2.543 20 0 EFADHP C[NH+](C)CCOc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000685470641 550156583 /nfs/dbraw/zinc/15/65/83/550156583.db2.gz ABWVAEJFXQQPEW-ICSRJNTNSA-N 2 3 331.504 2.543 20 0 EFADHP C[NH+](C)CCOc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000685470643 550157023 /nfs/dbraw/zinc/15/70/23/550157023.db2.gz ABWVAEJFXQQPEW-UYAOXDASSA-N 2 3 331.504 2.543 20 0 EFADHP C[NH+](C)CCOc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000685470643 550157026 /nfs/dbraw/zinc/15/70/26/550157026.db2.gz ABWVAEJFXQQPEW-UYAOXDASSA-N 2 3 331.504 2.543 20 0 EFADHP CN1CC[C@]2(CC[N@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)C1 ZINC001204270577 1313112464 /nfs/dbraw/zinc/11/24/64/1313112464.db2.gz VWOPSYWLFBBKRR-FQEVSTJZSA-N 2 3 331.504 2.545 20 0 EFADHP CN1CC[C@]2(CC[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)C1 ZINC001204270577 1313112466 /nfs/dbraw/zinc/11/24/66/1313112466.db2.gz VWOPSYWLFBBKRR-FQEVSTJZSA-N 2 3 331.504 2.545 20 0 EFADHP [NH3+]C12CC(CC[N@@H+]3CC[C@]4(c5ccccc5)CCNC[C@@H]4C3)(C1)C2 ZINC001235360640 1313300929 /nfs/dbraw/zinc/30/09/29/1313300929.db2.gz ACHZODLLJPDEMX-UEKLYDJUSA-N 2 3 325.500 2.511 20 0 EFADHP [NH3+]C12CC(CC[N@H+]3CC[C@]4(c5ccccc5)CCNC[C@@H]4C3)(C1)C2 ZINC001235360640 1313300933 /nfs/dbraw/zinc/30/09/33/1313300933.db2.gz ACHZODLLJPDEMX-UEKLYDJUSA-N 2 3 325.500 2.511 20 0 EFADHP C[NH+]1CCC(C)(C[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235363689 1313302992 /nfs/dbraw/zinc/30/29/92/1313302992.db2.gz JKIPELGTLTWVEY-UNMCSNQZSA-N 2 3 341.543 2.972 20 0 EFADHP C[NH+]1CCC(C)(C[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235363689 1313302996 /nfs/dbraw/zinc/30/29/96/1313302996.db2.gz JKIPELGTLTWVEY-UNMCSNQZSA-N 2 3 341.543 2.972 20 0 EFADHP CC1(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC[NH2+]CC1 ZINC001236183923 1313452535 /nfs/dbraw/zinc/45/25/35/1313452535.db2.gz MYWKDQPYKMNAGP-PMACEKPBSA-N 2 3 327.516 2.830 20 0 EFADHP CC1(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC[NH2+]CC1 ZINC001236183923 1313452537 /nfs/dbraw/zinc/45/25/37/1313452537.db2.gz MYWKDQPYKMNAGP-PMACEKPBSA-N 2 3 327.516 2.830 20 0 EFADHP [NH3+]CCCC[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222575687 1311155253 /nfs/dbraw/zinc/15/52/53/1311155253.db2.gz OMEINSMHMVBCAH-LJQANCHMSA-N 2 3 331.504 2.529 20 0 EFADHP [NH3+]CCCC[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222575687 1311155254 /nfs/dbraw/zinc/15/52/54/1311155254.db2.gz OMEINSMHMVBCAH-LJQANCHMSA-N 2 3 331.504 2.529 20 0 EFADHP c1ccc([C@H]2C[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)CC23CNC3)cc1 ZINC001222601858 1311158531 /nfs/dbraw/zinc/15/85/31/1311158531.db2.gz BMHYSSOZPSUQPS-OAQYLSRUSA-N 2 3 333.479 2.521 20 0 EFADHP c1ccc([C@H]2C[N@H+](Cc3ccc4c(c3)CC[NH2+]C4)CC23CNC3)cc1 ZINC001222601858 1311158533 /nfs/dbraw/zinc/15/85/33/1311158533.db2.gz BMHYSSOZPSUQPS-OAQYLSRUSA-N 2 3 333.479 2.521 20 0 EFADHP CCN(CC)CCNC(=[NH2+])Nc1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC001163130117 1312247646 /nfs/dbraw/zinc/24/76/46/1312247646.db2.gz VUQNBCGMZUJFDL-QGZVFWFLSA-N 2 3 346.523 2.907 20 0 EFADHP CCN(CC)CCNC(=[NH2+])Nc1ccc([C@H]2CCCC[N@H+]2CC)cn1 ZINC001163130117 1312247650 /nfs/dbraw/zinc/24/76/50/1312247650.db2.gz VUQNBCGMZUJFDL-QGZVFWFLSA-N 2 3 346.523 2.907 20 0 EFADHP C[C@@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@@H](C)O1 ZINC000903120215 1312374881 /nfs/dbraw/zinc/37/48/81/1312374881.db2.gz MFNJZZLMZAWPJI-PYVWZIQOSA-N 2 3 335.536 2.623 20 0 EFADHP C[C@@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@H](C)O1 ZINC000903120215 1312374884 /nfs/dbraw/zinc/37/48/84/1312374884.db2.gz MFNJZZLMZAWPJI-PYVWZIQOSA-N 2 3 335.536 2.623 20 0 EFADHP Fc1ccc(C2(N[C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246337763 1314612362 /nfs/dbraw/zinc/61/23/62/1314612362.db2.gz VKPAQGKAUCERAD-MOPGFXCFSA-N 2 3 331.479 2.916 20 0 EFADHP C[C@H]1CC([NH2+]CC2(Cc3cccc(F)c3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246377543 1314618233 /nfs/dbraw/zinc/61/82/33/1314618233.db2.gz GHZOEMGSMWLMGP-HOTGVXAUSA-N 2 3 333.495 2.857 20 0 EFADHP CC[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(OC)c3)CC[NH2+]CC2)CCN1 ZINC001246381998 1314619598 /nfs/dbraw/zinc/61/95/98/1314619598.db2.gz WPKAGRVYJCILAF-RTBURBONSA-N 2 3 345.531 2.728 20 0 EFADHP CC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246383534 1314619950 /nfs/dbraw/zinc/61/99/50/1314619950.db2.gz GROODYGAFPDRFD-RTBURBONSA-N 2 3 333.495 2.858 20 0 EFADHP COc1ccc(CC2(C[NH2+][C@@H]3CCNC(C)(C)C3)CC[NH2+]CC2)cc1 ZINC001246384363 1314620189 /nfs/dbraw/zinc/62/01/89/1314620189.db2.gz BMSGKKPOMKCOFS-GOSISDBHSA-N 2 3 345.531 2.728 20 0 EFADHP C[C@H]1CC([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246388562 1314621214 /nfs/dbraw/zinc/62/12/14/1314621214.db2.gz YVUPABAQPBPOLK-HOTGVXAUSA-N 2 3 333.495 2.857 20 0 EFADHP Clc1ccc(CC2([NH2+][C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)cc1 ZINC001246390322 1314621955 /nfs/dbraw/zinc/62/19/55/1314621955.db2.gz KATQSMIYKUXKNW-ALXJQNPVSA-N 2 3 333.907 2.592 20 0 EFADHP COc1ccccc1CN([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246394716 1314623173 /nfs/dbraw/zinc/62/31/73/1314623173.db2.gz JKIKVCQNINZFGZ-NXWXRZEISA-N 2 3 331.504 2.908 20 0 EFADHP COc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN[C@H](C)C1 ZINC001246394716 1314623176 /nfs/dbraw/zinc/62/31/76/1314623176.db2.gz JKIKVCQNINZFGZ-NXWXRZEISA-N 2 3 331.504 2.908 20 0 EFADHP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN[C@H](C)C1 ZINC001246394716 1314623179 /nfs/dbraw/zinc/62/31/79/1314623179.db2.gz JKIKVCQNINZFGZ-NXWXRZEISA-N 2 3 331.504 2.908 20 0 EFADHP COc1ccccc1CC1(C[NH2+][C@H]2CCNC(C)(C)C2)CC[NH2+]CC1 ZINC001246417610 1314626795 /nfs/dbraw/zinc/62/67/95/1314626795.db2.gz BFPJQUGDCXCSST-SFHVURJKSA-N 2 3 345.531 2.728 20 0 EFADHP COc1ccccc1C1(C[NH2+][C@@H]2CCNC3(CCC3)C2)CC[NH2+]CC1 ZINC001246413919 1314627088 /nfs/dbraw/zinc/62/70/88/1314627088.db2.gz GNAFOXRVGJICJQ-QGZVFWFLSA-N 2 3 343.515 2.581 20 0 EFADHP CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246431217 1314628619 /nfs/dbraw/zinc/62/86/19/1314628619.db2.gz CQNYRLIJKRATCJ-MSOLQXFVSA-N 2 3 333.495 2.858 20 0 EFADHP Fc1ccccc1C1([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246435361 1314629153 /nfs/dbraw/zinc/62/91/53/1314629153.db2.gz HUMPRRVKIQTEQV-LPHOPBHVSA-N 2 3 331.479 2.916 20 0 EFADHP CC(C)[C@@H]1C[C@H](NCC2(c3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246436017 1314629297 /nfs/dbraw/zinc/62/92/97/1314629297.db2.gz IPVYLTNJDZFULP-APWZRJJASA-N 2 3 333.495 2.813 20 0 EFADHP C[NH2+]C1CCC([N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001246670480 1314668215 /nfs/dbraw/zinc/66/82/15/1314668215.db2.gz DHDKVNSHJIDSLR-GKYDQMIMSA-N 2 3 327.516 2.770 20 0 EFADHP C[NH2+]C1CCC([N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001246670480 1314668219 /nfs/dbraw/zinc/66/82/19/1314668219.db2.gz DHDKVNSHJIDSLR-GKYDQMIMSA-N 2 3 327.516 2.770 20 0 EFADHP CC(C)[C@@H]1C[C@@H](N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246805911 1314685763 /nfs/dbraw/zinc/68/57/63/1314685763.db2.gz LFICKHXJNSBQDT-WOZUAGRISA-N 2 3 327.516 2.827 20 0 EFADHP CC(C)[C@@H]1C[C@@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246805911 1314685767 /nfs/dbraw/zinc/68/57/67/1314685767.db2.gz LFICKHXJNSBQDT-WOZUAGRISA-N 2 3 327.516 2.827 20 0 EFADHP CC[NH+](CC)CCC[C@@H](C)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882607 1314702005 /nfs/dbraw/zinc/70/20/05/1314702005.db2.gz ZKTMXTVNVNZOLJ-NRSPTQNISA-N 2 3 329.532 2.970 20 0 EFADHP Fc1ccc(CN(CC2CC[NH2+]CC2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246945453 1314711981 /nfs/dbraw/zinc/71/19/81/1314711981.db2.gz XULDMFIYKOAKRR-YOFSQIOKSA-N 2 3 331.479 2.910 20 0 EFADHP COc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246962414 1314717309 /nfs/dbraw/zinc/71/73/09/1314717309.db2.gz DHWDLPATJKFCNS-NXWXRZEISA-N 2 3 331.504 2.908 20 0 EFADHP COc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246962414 1314717314 /nfs/dbraw/zinc/71/73/14/1314717314.db2.gz DHWDLPATJKFCNS-NXWXRZEISA-N 2 3 331.504 2.908 20 0 EFADHP Cc1cc(F)ccc1C[N@H+]([C@H]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCNCC1 ZINC001246963778 1314717394 /nfs/dbraw/zinc/71/73/94/1314717394.db2.gz YRRUSPSOKLMPAM-XEMDLRDOSA-N 2 3 331.479 2.686 20 0 EFADHP Cc1cc(F)ccc1C[N@@H+]([C@H]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCNCC1 ZINC001246963778 1314717397 /nfs/dbraw/zinc/71/73/97/1314717397.db2.gz YRRUSPSOKLMPAM-XEMDLRDOSA-N 2 3 331.479 2.686 20 0 EFADHP CC(C)(C)[NH2+]C[C@@H](O)CNCC1CC[NH+](CC2CCCCC2)CC1 ZINC001253410556 1315601511 /nfs/dbraw/zinc/60/15/11/1315601511.db2.gz LHADTGRDTDNPJS-IBGZPJMESA-N 2 3 339.568 2.617 20 0 EFADHP Cc1ccc(CN2C[C@@H]3C[NH+]([C@@H]4CCC[N@@H+](C)CC4)C[C@H]3C2)cc1 ZINC001254519296 1315714491 /nfs/dbraw/zinc/71/44/91/1315714491.db2.gz RYOABLUVSFKVJT-NJDAHSKKSA-N 2 3 327.516 2.843 20 0 EFADHP Cc1ccc(CN2C[C@@H]3C[NH+]([C@@H]4CCC[N@H+](C)CC4)C[C@H]3C2)cc1 ZINC001254519296 1315714493 /nfs/dbraw/zinc/71/44/93/1315714493.db2.gz RYOABLUVSFKVJT-NJDAHSKKSA-N 2 3 327.516 2.843 20 0 EFADHP CCN(CC)CC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001255954331 1315884474 /nfs/dbraw/zinc/88/44/74/1315884474.db2.gz URDZPKPJLJLUST-KRWDZBQOSA-N 2 3 325.541 2.587 20 0 EFADHP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679908 1315980082 /nfs/dbraw/zinc/98/00/82/1315980082.db2.gz VJKDOCAZAMPHNQ-LMDPOFIKSA-N 2 3 325.541 2.730 20 0 EFADHP CCCC[NH+]1CCC(C[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256681160 1315980885 /nfs/dbraw/zinc/98/08/85/1315980885.db2.gz MIRZEHXJIZWFLD-UHFFFAOYSA-N 2 3 337.552 2.732 20 0 EFADHP CC(C)CN1CCC([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])CC1 ZINC001258008602 1316109532 /nfs/dbraw/zinc/10/95/32/1316109532.db2.gz YWJIUGQODRDZBC-UHFFFAOYSA-N 2 3 326.573 2.582 20 0 EFADHP C[NH+](C)CC1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258145405 1316124357 /nfs/dbraw/zinc/12/43/57/1316124357.db2.gz IPEWNEWPSDUGRE-UHFFFAOYSA-N 2 3 329.532 2.967 20 0 EFADHP C[NH+](C)CCOc1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1 ZINC000069673711 1101724160 /nfs/dbraw/zinc/72/41/60/1101724160.db2.gz IZLJIAFOEDCGPW-UHFFFAOYSA-N 2 3 341.499 2.978 20 0 EFADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000414848755 244370413 /nfs/dbraw/zinc/37/04/13/244370413.db2.gz XENBHDZDCBQJHL-WJMWBRGCSA-N 2 3 327.516 2.876 20 0 EFADHP CCN1CCN(c2ccccc2C[NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000421367489 285339153 /nfs/dbraw/zinc/33/91/53/285339153.db2.gz DUKUPDZSZHKDFQ-UHFFFAOYSA-N 2 3 344.547 2.791 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000422800308 278229045 /nfs/dbraw/zinc/22/90/45/278229045.db2.gz BEBOHWWIWHNEOC-DZFGPLHGSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422787508 289783292 /nfs/dbraw/zinc/78/32/92/289783292.db2.gz MJKXDGLSCHVKKR-FFZOFVMBSA-N 2 3 331.504 2.514 20 0 EFADHP COCC1(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC[NH2+]CC1 ZINC000414972351 312069347 /nfs/dbraw/zinc/06/93/47/312069347.db2.gz JZVKHPJUUROVCI-IEBWSBKVSA-N 2 3 337.552 2.635 20 0 EFADHP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(OCCN(C)C)c1 ZINC000423452890 312420020 /nfs/dbraw/zinc/42/00/20/312420020.db2.gz ZLQPHFJOLXBSFO-RYGJVYDSSA-N 2 3 331.504 2.666 20 0 EFADHP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(OCCC[NH3+])CC1 ZINC000346629640 475715372 /nfs/dbraw/zinc/71/53/72/475715372.db2.gz BJMJONJQIWWSHI-UHFFFAOYSA-N 2 3 347.547 2.974 20 0 EFADHP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(OCCC[NH3+])CC1 ZINC000346629640 475715379 /nfs/dbraw/zinc/71/53/79/475715379.db2.gz BJMJONJQIWWSHI-UHFFFAOYSA-N 2 3 347.547 2.974 20 0 EFADHP CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000442918565 476704090 /nfs/dbraw/zinc/70/40/90/476704090.db2.gz CXPIHYHUJIFMST-LJQANCHMSA-N 2 3 344.547 2.779 20 0 EFADHP CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000442918565 476704109 /nfs/dbraw/zinc/70/41/09/476704109.db2.gz CXPIHYHUJIFMST-LJQANCHMSA-N 2 3 344.547 2.779 20 0 EFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3CN)CC2)cc1 ZINC000422777408 476771511 /nfs/dbraw/zinc/77/15/11/476771511.db2.gz FOJQQNVCBIUOLZ-AZUAARDMSA-N 2 3 331.504 2.624 20 0 EFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@H]3CN)CC2)cc1 ZINC000422777509 476771537 /nfs/dbraw/zinc/77/15/37/476771537.db2.gz FOJQQNVCBIUOLZ-ICSRJNTNSA-N 2 3 331.504 2.624 20 0 EFADHP C[C@@H]1C[C@@H](C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000414702281 476888991 /nfs/dbraw/zinc/88/89/91/476888991.db2.gz IFOVDKOUDUMOMP-XSYGEPLQSA-N 2 3 337.552 2.586 20 0 EFADHP C[C@@H]1C[NH+](CCOc2ccc(CCN[C@@H]3CCC[C@@H]3[NH3+])cc2)C[C@H]1C ZINC000423014585 476891541 /nfs/dbraw/zinc/89/15/41/476891541.db2.gz IVJFMBMLRWUBSU-SGLNWRHMSA-N 2 3 345.531 2.665 20 0 EFADHP C[C@H]([NH3+])C[C@H](C)NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000423016397 476893250 /nfs/dbraw/zinc/89/32/50/476893250.db2.gz MPZPPETXAQJYBX-RDGPPVDQSA-N 2 3 347.547 2.911 20 0 EFADHP C[C@H]([NH3+])C[C@H](C)NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000423016397 476893254 /nfs/dbraw/zinc/89/32/54/476893254.db2.gz MPZPPETXAQJYBX-RDGPPVDQSA-N 2 3 347.547 2.911 20 0 EFADHP C[C@H](N)C[C@H](C)[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000423016397 476893258 /nfs/dbraw/zinc/89/32/58/476893258.db2.gz MPZPPETXAQJYBX-RDGPPVDQSA-N 2 3 347.547 2.911 20 0 EFADHP C[C@H](N)C[C@H](C)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000423016397 476893266 /nfs/dbraw/zinc/89/32/66/476893266.db2.gz MPZPPETXAQJYBX-RDGPPVDQSA-N 2 3 347.547 2.911 20 0 EFADHP CCN1CCN(c2ccccc2C[NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000453592076 477244472 /nfs/dbraw/zinc/24/44/72/477244472.db2.gz DFIZSSYAUGFVEB-UHFFFAOYSA-N 2 3 344.547 2.793 20 0 EFADHP CCN1CCN(c2ccccc2C[NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453592076 477244476 /nfs/dbraw/zinc/24/44/76/477244476.db2.gz DFIZSSYAUGFVEB-UHFFFAOYSA-N 2 3 344.547 2.793 20 0 EFADHP C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000435382658 477346172 /nfs/dbraw/zinc/34/61/72/477346172.db2.gz DZHPRZAFZSECHN-ZWKOTPCHSA-N 2 3 344.547 2.776 20 0 EFADHP CC[NH+](CC)CCOc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000518397169 478166410 /nfs/dbraw/zinc/16/64/10/478166410.db2.gz PRHPBESHLGSDNQ-MSOLQXFVSA-N 2 3 349.519 2.775 20 0 EFADHP [NH3+]CCC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000650720908 481287121 /nfs/dbraw/zinc/28/71/21/481287121.db2.gz GUWORKDALMJSIX-UHFFFAOYSA-N 2 3 331.504 2.722 20 0 EFADHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000360024563 535554030 /nfs/dbraw/zinc/55/40/30/535554030.db2.gz PAVBXVINEDASGB-YLJYHZDGSA-N 2 3 333.520 2.837 20 0 EFADHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000360024563 535554034 /nfs/dbraw/zinc/55/40/34/535554034.db2.gz PAVBXVINEDASGB-YLJYHZDGSA-N 2 3 333.520 2.837 20 0 EFADHP COCC[N@H+](C)CCCC1CCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000347599693 536778545 /nfs/dbraw/zinc/77/85/45/536778545.db2.gz KCCQAFDKMSXSNW-FQEVSTJZSA-N 2 3 339.568 2.931 20 0 EFADHP COCC[N@@H+](C)CCCC1CCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000347599693 536778549 /nfs/dbraw/zinc/77/85/49/536778549.db2.gz KCCQAFDKMSXSNW-FQEVSTJZSA-N 2 3 339.568 2.931 20 0 EFADHP COCC[NH+](C)CCCC1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000347599693 536778551 /nfs/dbraw/zinc/77/85/51/536778551.db2.gz KCCQAFDKMSXSNW-FQEVSTJZSA-N 2 3 339.568 2.931 20 0 EFADHP COCC[NH+](C)CCCC1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000347599693 536778555 /nfs/dbraw/zinc/77/85/55/536778555.db2.gz KCCQAFDKMSXSNW-FQEVSTJZSA-N 2 3 339.568 2.931 20 0 EFADHP CN(C)CCOc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656785996 546924582 /nfs/dbraw/zinc/92/45/82/546924582.db2.gz PJMPPICYTAUVRG-FQEVSTJZSA-N 2 3 345.531 2.839 20 0 EFADHP C[NH+](C)CCOc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656785996 546924585 /nfs/dbraw/zinc/92/45/85/546924585.db2.gz PJMPPICYTAUVRG-FQEVSTJZSA-N 2 3 345.531 2.839 20 0 EFADHP C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC[NH+](C)CC1 ZINC000658164375 547377567 /nfs/dbraw/zinc/37/75/67/547377567.db2.gz CRZGMKOWTYZCOX-QGZVFWFLSA-N 2 3 330.520 2.614 20 0 EFADHP C[C@@H]1CN(CC2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C[C@H](C)O1 ZINC000923424113 1261632381 /nfs/dbraw/zinc/63/23/81/1261632381.db2.gz NYUDUNVYBCLKHZ-MEKRXLCPSA-N 2 3 349.563 2.728 20 0 EFADHP Cc1c(N)cc[nH+]c1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170526373 1281337853 /nfs/dbraw/zinc/33/78/53/1281337853.db2.gz YRNVCRFPHFSUQS-UHFFFAOYSA-N 2 3 349.482 2.882 20 0 EFADHP c1c(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206398 1289642535 /nfs/dbraw/zinc/64/25/35/1289642535.db2.gz BIFCYAGGCLVIDB-KSSFIOAISA-N 2 3 331.529 2.843 20 0 EFADHP c1c(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206398 1289642542 /nfs/dbraw/zinc/64/25/42/1289642542.db2.gz BIFCYAGGCLVIDB-KSSFIOAISA-N 2 3 331.529 2.843 20 0 EFADHP c1c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206398 1289642549 /nfs/dbraw/zinc/64/25/49/1289642549.db2.gz BIFCYAGGCLVIDB-KSSFIOAISA-N 2 3 331.529 2.843 20 0 EFADHP c1c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206398 1289642556 /nfs/dbraw/zinc/64/25/56/1289642556.db2.gz BIFCYAGGCLVIDB-KSSFIOAISA-N 2 3 331.529 2.843 20 0 EFADHP C[NH+](C)CCCOc1ccc(CN2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001204269385 1313112750 /nfs/dbraw/zinc/11/27/50/1313112750.db2.gz BFRUECJDPJDLGQ-UHFFFAOYSA-N 2 3 331.504 2.545 20 0 EFADHP CC[NH+]1CCC(C[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235366748 1313303117 /nfs/dbraw/zinc/30/31/17/1313303117.db2.gz RNXUYKAEUOUBCT-YADHBBJMSA-N 2 3 341.543 2.972 20 0 EFADHP CC[NH+]1CCC(C[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235366748 1313303121 /nfs/dbraw/zinc/30/31/21/1313303121.db2.gz RNXUYKAEUOUBCT-YADHBBJMSA-N 2 3 341.543 2.972 20 0 EFADHP c1ccc([C@]23CCNC[C@H]2C[N@H+](CC[C@H]2CCC[NH2+]C2)CC3)cc1 ZINC001235369728 1313304551 /nfs/dbraw/zinc/30/45/51/1313304551.db2.gz YZLWCBDSGSLDJF-HLAWJBBLSA-N 2 3 327.516 2.629 20 0 EFADHP c1ccc([C@]23CCNC[C@H]2C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC3)cc1 ZINC001235369728 1313304554 /nfs/dbraw/zinc/30/45/54/1313304554.db2.gz YZLWCBDSGSLDJF-HLAWJBBLSA-N 2 3 327.516 2.629 20 0 EFADHP C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925093837 1296797251 /nfs/dbraw/zinc/79/72/51/1296797251.db2.gz MFTIQCOMBGZTCG-HKUYNNGSSA-N 2 3 345.531 2.900 20 0 EFADHP [NH3+]C1CCC([N@H+](Cc2ccc3n2CCNC3)Cc2ccccc2)CC1 ZINC001236228373 1313458059 /nfs/dbraw/zinc/45/80/59/1313458059.db2.gz VFRAWJCYHSTWJR-UHFFFAOYSA-N 2 3 338.499 2.863 20 0 EFADHP [NH3+]C1CCC([N@@H+](Cc2ccc3n2CCNC3)Cc2ccccc2)CC1 ZINC001236228373 1313458062 /nfs/dbraw/zinc/45/80/62/1313458062.db2.gz VFRAWJCYHSTWJR-UHFFFAOYSA-N 2 3 338.499 2.863 20 0 EFADHP C[NH+](C)CCCOc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206540112 1313473161 /nfs/dbraw/zinc/47/31/61/1313473161.db2.gz ADCDVJVWKKHEJQ-FQEVSTJZSA-N 2 3 333.520 2.968 20 0 EFADHP COc1ccc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)C2CCNCC2)cc1 ZINC001236439986 1313481370 /nfs/dbraw/zinc/48/13/70/1313481370.db2.gz IUBJKBFEYFMMBT-KRWDZBQOSA-N 2 3 331.504 2.639 20 0 EFADHP COc1ccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CCNCC2)cc1 ZINC001236439986 1313481371 /nfs/dbraw/zinc/48/13/71/1313481371.db2.gz IUBJKBFEYFMMBT-KRWDZBQOSA-N 2 3 331.504 2.639 20 0 EFADHP COc1ccc(CN(CC[C@@H]2CCC[NH2+]C2)C2CC[NH2+]CC2)cc1 ZINC001236439986 1313481373 /nfs/dbraw/zinc/48/13/73/1313481373.db2.gz IUBJKBFEYFMMBT-KRWDZBQOSA-N 2 3 331.504 2.639 20 0 EFADHP COc1ccc(C[N@H+](CCC23CC([NH3+])(C2)C3)C2CCNCC2)cc1 ZINC001236439545 1313481433 /nfs/dbraw/zinc/48/14/33/1313481433.db2.gz HQWFZSGVNOVION-UHFFFAOYSA-N 2 3 329.488 2.521 20 0 EFADHP COc1ccc(C[N@@H+](CCC23CC([NH3+])(C2)C3)C2CCNCC2)cc1 ZINC001236439545 1313481435 /nfs/dbraw/zinc/48/14/35/1313481435.db2.gz HQWFZSGVNOVION-UHFFFAOYSA-N 2 3 329.488 2.521 20 0 EFADHP COc1ccc(CN(CCC23CC([NH3+])(C2)C3)C2CC[NH2+]CC2)cc1 ZINC001236439545 1313481437 /nfs/dbraw/zinc/48/14/37/1313481437.db2.gz HQWFZSGVNOVION-UHFFFAOYSA-N 2 3 329.488 2.521 20 0 EFADHP CC[NH+]1CCC(CN2CCC3(CC2)[NH2+]CCc2ccccc23)CC1 ZINC001237275423 1313615465 /nfs/dbraw/zinc/61/54/65/1313615465.db2.gz NFKANZQMJJDALI-UHFFFAOYSA-N 2 3 327.516 2.855 20 0 EFADHP C[NH+](C)C[C@@]12C[C@@H]1CN(CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207292221 1313654126 /nfs/dbraw/zinc/65/41/26/1313654126.db2.gz AVUYNOOAUIPSEW-NHCUHLMSSA-N 2 3 327.516 2.782 20 0 EFADHP c1ccc([C@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CC23CNC3)cc1 ZINC001222614593 1311161085 /nfs/dbraw/zinc/16/10/85/1311161085.db2.gz HJDGNISULOKDND-OAQYLSRUSA-N 2 3 333.479 2.521 20 0 EFADHP c1ccc([C@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CC23CNC3)cc1 ZINC001222614593 1311161086 /nfs/dbraw/zinc/16/10/86/1311161086.db2.gz HJDGNISULOKDND-OAQYLSRUSA-N 2 3 333.479 2.521 20 0 EFADHP CC1(C)C[C@@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H]([NH3+])C1 ZINC000902502953 1311808699 /nfs/dbraw/zinc/80/86/99/1311808699.db2.gz WICLTHSDNSAQNY-TXDAXLQXSA-N 2 3 329.488 2.738 20 0 EFADHP CC1(C)C[C@@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H]([NH3+])C1 ZINC000902502951 1311808894 /nfs/dbraw/zinc/80/88/94/1311808894.db2.gz WICLTHSDNSAQNY-MJEZEWASSA-N 2 3 329.488 2.738 20 0 EFADHP C[NH+](C)CC1CCC(Nc2cccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001163301444 1312284522 /nfs/dbraw/zinc/28/45/22/1312284522.db2.gz BTNUEUCAEZPHKP-UHFFFAOYSA-N 2 3 331.508 2.541 20 0 EFADHP COc1ccccc1C1([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246373561 1314617875 /nfs/dbraw/zinc/61/78/75/1314617875.db2.gz AEARXHHGHXVVLE-PXNSSMCTSA-N 2 3 343.515 2.786 20 0 EFADHP COc1cccc(CC2(C[NH2+][C@H]3CCNC(C)(C)C3)CC[NH2+]CC2)c1 ZINC001246379799 1314619449 /nfs/dbraw/zinc/61/94/49/1314619449.db2.gz GPVOOZMVFWVMMZ-SFHVURJKSA-N 2 3 345.531 2.728 20 0 EFADHP CC[C@H]1C[C@H]([NH2+]CC2(Cc3cccc(OC)c3)CC[NH2+]CC2)CCN1 ZINC001246381997 1314619680 /nfs/dbraw/zinc/61/96/80/1314619680.db2.gz WPKAGRVYJCILAF-RBUKOAKNSA-N 2 3 345.531 2.728 20 0 EFADHP Clc1ccccc1CC1([NH2+][C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCNCC1 ZINC001246384749 1314619970 /nfs/dbraw/zinc/61/99/70/1314619970.db2.gz AUOKPURQOYVBTA-BJWYYQGGSA-N 2 3 333.907 2.592 20 0 EFADHP CC[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(OC)cc3)CC[NH2+]CC2)CCN1 ZINC001246388795 1314621106 /nfs/dbraw/zinc/62/11/06/1314621106.db2.gz OILPXSIGETVQRC-RBUKOAKNSA-N 2 3 345.531 2.728 20 0 EFADHP CC1(C)C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246388128 1314621172 /nfs/dbraw/zinc/62/11/72/1314621172.db2.gz XNEIRXLRIFYPQQ-GOSISDBHSA-N 2 3 333.495 2.858 20 0 EFADHP CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(OC)cc3)CC[NH2+]CC2)CCN1 ZINC001246388780 1314621290 /nfs/dbraw/zinc/62/12/90/1314621290.db2.gz OILPXSIGETVQRC-MOPGFXCFSA-N 2 3 345.531 2.728 20 0 EFADHP COc1ccccc1C1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]CC1 ZINC001246418255 1314626776 /nfs/dbraw/zinc/62/67/76/1314626776.db2.gz YJWVLBYWODDGNL-BCDXTJNWSA-N 2 3 343.515 2.579 20 0 EFADHP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)CCN1 ZINC001246416883 1314626844 /nfs/dbraw/zinc/62/68/44/1314626844.db2.gz UVIOSBJYFKTCBV-YJBOKZPZSA-N 2 3 335.923 2.982 20 0 EFADHP COc1cccc(C2(N[C@H]3CCC4(C3)CC[NH2+]CC4)CC[NH2+]CC2)c1 ZINC001246417474 1314627045 /nfs/dbraw/zinc/62/70/45/1314627045.db2.gz XAYVIBQPLVNZDP-SFHVURJKSA-N 2 3 343.515 2.786 20 0 EFADHP c1ccc(CC2([NH2+]C3CCC4(CC[NH2+]C4)CC3)CCNCC2)cc1 ZINC001246449625 1314629629 /nfs/dbraw/zinc/62/96/29/1314629629.db2.gz AFNYMDCEZQGDCV-UHFFFAOYSA-N 2 3 327.516 2.863 20 0 EFADHP c1ccc(CC2([NH2+][C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246460084 1314631166 /nfs/dbraw/zinc/63/11/66/1314631166.db2.gz MYHHVJFTZBXOKF-VQTJNVASSA-N 2 3 327.516 2.863 20 0 EFADHP c1ccc(CC2([NH2+][C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246460082 1314631484 /nfs/dbraw/zinc/63/14/84/1314631484.db2.gz MYHHVJFTZBXOKF-UXHICEINSA-N 2 3 327.516 2.863 20 0 EFADHP CC(C)[C@H]1C[C@H](N2CCC3(CC2)C[NH2+]Cc2ccccc23)CC[NH2+]1 ZINC001246640769 1314662505 /nfs/dbraw/zinc/66/25/05/1314662505.db2.gz VXCFLHDUUVYFQD-UYAOXDASSA-N 2 3 327.516 2.900 20 0 EFADHP C1CCC2(CC1)C[C@@H](N1CCC(OC3CC[NH2+]CC3)CC1)CC[NH2+]2 ZINC001246664566 1314666596 /nfs/dbraw/zinc/66/65/96/1314666596.db2.gz SDWJACKHQCKHFC-KRWDZBQOSA-N 2 3 335.536 2.674 20 0 EFADHP Cc1ccc(F)cc1C[N@H+]([C@@H]1CCC2(C[NH2+]C2)C1)C1CCNCC1 ZINC001246956746 1314715038 /nfs/dbraw/zinc/71/50/38/1314715038.db2.gz ULXGRYZVJVLSOP-LJQANCHMSA-N 2 3 331.479 2.830 20 0 EFADHP Cc1ccc(F)cc1C[N@@H+]([C@@H]1CCC2(C[NH2+]C2)C1)C1CCNCC1 ZINC001246956746 1314715042 /nfs/dbraw/zinc/71/50/42/1314715042.db2.gz ULXGRYZVJVLSOP-LJQANCHMSA-N 2 3 331.479 2.830 20 0 EFADHP CN1CCN(c2cc[nH+]cc2Nc2cccc(C[NH+](C)C)c2F)CC1 ZINC001216228416 1314930612 /nfs/dbraw/zinc/93/06/12/1314930612.db2.gz FYTYIIXVUCKOII-UHFFFAOYSA-N 2 3 343.450 2.778 20 0 EFADHP C[N@H+](Cc1ccccc1NC(=O)[C@@H](N)CCCC[NH3+])C1CCCCC1 ZINC001219023408 1315273490 /nfs/dbraw/zinc/27/34/90/1315273490.db2.gz BILRONKHUFSVGA-SFHVURJKSA-N 2 3 346.519 2.846 20 0 EFADHP C[N@@H+](Cc1ccccc1NC(=O)[C@@H](N)CCCC[NH3+])C1CCCCC1 ZINC001219023408 1315273495 /nfs/dbraw/zinc/27/34/95/1315273495.db2.gz BILRONKHUFSVGA-SFHVURJKSA-N 2 3 346.519 2.846 20 0 EFADHP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220384048 1315405503 /nfs/dbraw/zinc/40/55/03/1315405503.db2.gz HVDSQOHOCNQZSL-ROUUACIJSA-N 2 3 346.519 2.617 20 0 EFADHP Cc1ccc(CN2C[C@@H]3C[NH+]([C@@H]4CCC[N@@H+](C)CC4)C[C@@H]3C2)cc1 ZINC001254519298 1315714824 /nfs/dbraw/zinc/71/48/24/1315714824.db2.gz RYOABLUVSFKVJT-QHAWAJNXSA-N 2 3 327.516 2.843 20 0 EFADHP Cc1ccc(CN2C[C@@H]3C[NH+]([C@@H]4CCC[N@H+](C)CC4)C[C@@H]3C2)cc1 ZINC001254519298 1315714827 /nfs/dbraw/zinc/71/48/27/1315714827.db2.gz RYOABLUVSFKVJT-QHAWAJNXSA-N 2 3 327.516 2.843 20 0 EFADHP Cc1ccc(CN2C[C@@H]3C[N@H+]([C@@H]4CCC[NH+](C)CC4)C[C@@H]3C2)cc1 ZINC001254519298 1315714829 /nfs/dbraw/zinc/71/48/29/1315714829.db2.gz RYOABLUVSFKVJT-QHAWAJNXSA-N 2 3 327.516 2.843 20 0 EFADHP Cc1ccc(CN2C[C@@H]3C[N@@H+]([C@@H]4CCC[NH+](C)CC4)C[C@@H]3C2)cc1 ZINC001254519298 1315714832 /nfs/dbraw/zinc/71/48/32/1315714832.db2.gz RYOABLUVSFKVJT-QHAWAJNXSA-N 2 3 327.516 2.843 20 0 EFADHP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256677750 1315980268 /nfs/dbraw/zinc/98/02/68/1315980268.db2.gz IBWVAVNMNBBJDQ-UVHRUJRTSA-N 2 3 337.552 2.587 20 0 EFADHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001258905645 1316190910 /nfs/dbraw/zinc/19/09/10/1316190910.db2.gz VJKDOCAZAMPHNQ-GUDVDZBRSA-N 2 3 325.541 2.730 20 0 EFADHP C[C@H]1CN(CCC2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C[C@H](C)O1 ZINC001552973463 1414627502 /nfs/dbraw/zinc/62/75/02/1414627502.db2.gz IDCAMTRKHARMGK-IMKFEJLOSA-N 2 3 349.563 2.728 20 0 EFADHP COCCC[NH+]1CCC(N[C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924913998 721707031 /nfs/dbraw/zinc/70/70/31/721707031.db2.gz ZZRIYLMDQZBJAI-QGZVFWFLSA-N 2 3 333.520 2.900 20 0 EFADHP CN1CCC[C@H]1CC[NH+]1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC001578529628 1090391798 /nfs/dbraw/zinc/39/17/98/1090391798.db2.gz VYRRADCPPVOVBS-FUHWJXTLSA-N 2 3 329.488 2.788 20 0 EFADHP CC(C)(C)CC[C@@H]([NH3+])CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000904373346 1107870060 /nfs/dbraw/zinc/87/00/60/1107870060.db2.gz PDUBUQZOQAOCTA-LJQANCHMSA-N 2 3 346.563 2.723 20 0 EFADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc2c(c1)C[NH2+]CC2 ZINC000904475017 1107965100 /nfs/dbraw/zinc/96/51/00/1107965100.db2.gz XKJZXOIHDKYUSO-RBBKRZOGSA-N 2 3 349.478 2.678 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422782902 246457308 /nfs/dbraw/zinc/45/73/08/246457308.db2.gz NQXIISWUGGACHM-WMQCIHAUSA-N 2 3 345.531 2.905 20 0 EFADHP C[C@@H]1CN(CCC2CC[NH+](CCC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000359217205 148026444 /nfs/dbraw/zinc/02/64/44/148026444.db2.gz JSGRTKDZNKZOOJ-QZTJIDSGSA-N 2 3 337.552 2.587 20 0 EFADHP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000272569177 266311265 /nfs/dbraw/zinc/31/12/65/266311265.db2.gz OSNJXHPVOOEOFG-QHAWAJNXSA-N 2 3 325.500 2.749 20 0 EFADHP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000272569177 266311266 /nfs/dbraw/zinc/31/12/66/266311266.db2.gz OSNJXHPVOOEOFG-QHAWAJNXSA-N 2 3 325.500 2.749 20 0 EFADHP CC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC[NH2+]CC1 ZINC000414896297 312059259 /nfs/dbraw/zinc/05/92/59/312059259.db2.gz BKMIMWKJHBUKHB-SLFFLAALSA-N 2 3 327.516 2.876 20 0 EFADHP COCC1(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC[NH2+]CC1 ZINC000414972357 312069168 /nfs/dbraw/zinc/06/91/68/312069168.db2.gz JZVKHPJUUROVCI-PKOBYXMFSA-N 2 3 337.552 2.635 20 0 EFADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000415019419 312078029 /nfs/dbraw/zinc/07/80/29/312078029.db2.gz VVGYSXSCOCCEOD-KRWDZBQOSA-N 2 3 332.536 2.824 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422823693 312410664 /nfs/dbraw/zinc/41/06/64/312410664.db2.gz DWILOMFXYOQGCV-WMQCIHAUSA-N 2 3 345.531 2.905 20 0 EFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H](N)C3)CC2)cc1 ZINC000567487481 319177459 /nfs/dbraw/zinc/17/74/59/319177459.db2.gz QHWOSAULWPXMTA-MOPGFXCFSA-N 2 3 331.504 2.767 20 0 EFADHP COCC[N@H+](C)CCCC1CCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000154406463 472429169 /nfs/dbraw/zinc/42/91/69/472429169.db2.gz HFUHAZHWNUNIJE-IBGZPJMESA-N 2 3 325.541 2.541 20 0 EFADHP COCC[N@@H+](C)CCCC1CCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000154406463 472429174 /nfs/dbraw/zinc/42/91/74/472429174.db2.gz HFUHAZHWNUNIJE-IBGZPJMESA-N 2 3 325.541 2.541 20 0 EFADHP COCC[NH+](C)CCCC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000154406463 472429179 /nfs/dbraw/zinc/42/91/79/472429179.db2.gz HFUHAZHWNUNIJE-IBGZPJMESA-N 2 3 325.541 2.541 20 0 EFADHP COCC[NH+](C)CCCC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000154406463 472429183 /nfs/dbraw/zinc/42/91/83/472429183.db2.gz HFUHAZHWNUNIJE-IBGZPJMESA-N 2 3 325.541 2.541 20 0 EFADHP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305146540 474704544 /nfs/dbraw/zinc/70/45/44/474704544.db2.gz RYJOFMIVVWCCEX-HXUWFJFHSA-N 2 3 337.552 2.610 20 0 EFADHP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305146540 474704552 /nfs/dbraw/zinc/70/45/52/474704552.db2.gz RYJOFMIVVWCCEX-HXUWFJFHSA-N 2 3 337.552 2.610 20 0 EFADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000422723261 476745489 /nfs/dbraw/zinc/74/54/89/476745489.db2.gz QQRUIMHBMUPURW-PZJWPPBQSA-N 2 3 341.499 2.706 20 0 EFADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000422914552 476843923 /nfs/dbraw/zinc/84/39/23/476843923.db2.gz URYMAOIBCQMHAA-YRXWBPOGSA-N 2 3 325.541 2.776 20 0 EFADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000422915597 476845040 /nfs/dbraw/zinc/84/50/40/476845040.db2.gz YRYDXUSGQLGRLE-LTFPLMDUSA-N 2 3 337.552 2.776 20 0 EFADHP C[C@@H]1C[C@H](C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)CC[NH2+]1 ZINC000414702280 476889310 /nfs/dbraw/zinc/88/93/10/476889310.db2.gz IFOVDKOUDUMOMP-SOAMZJECSA-N 2 3 337.552 2.586 20 0 EFADHP NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000423010897 476890621 /nfs/dbraw/zinc/89/06/21/476890621.db2.gz ADZJRSBSCPRGRI-TZIWHRDSSA-N 2 3 345.531 2.811 20 0 EFADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423105458 476929147 /nfs/dbraw/zinc/92/91/47/476929147.db2.gz NKBOTBNMICVSPH-UZLBHIALSA-N 2 3 331.504 2.637 20 0 EFADHP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000423432877 477032051 /nfs/dbraw/zinc/03/20/51/477032051.db2.gz JNFBIWHYCUDABB-UIAACRFSSA-N 2 3 331.504 2.666 20 0 EFADHP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]21 ZINC000647511525 480971799 /nfs/dbraw/zinc/97/17/99/480971799.db2.gz XYPUIYMWFQWSKS-HMXCVIKNSA-N 2 3 343.515 2.720 20 0 EFADHP CN1CC[C@@]2(CC[N@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)C1 ZINC001204270578 1313112712 /nfs/dbraw/zinc/11/27/12/1313112712.db2.gz VWOPSYWLFBBKRR-HXUWFJFHSA-N 2 3 331.504 2.545 20 0 EFADHP CN1CC[C@@]2(CC[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)C1 ZINC001204270578 1313112713 /nfs/dbraw/zinc/11/27/13/1313112713.db2.gz VWOPSYWLFBBKRR-HXUWFJFHSA-N 2 3 331.504 2.545 20 0 EFADHP C[NH+]1CCC(CC[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235361853 1313301717 /nfs/dbraw/zinc/30/17/17/1313301717.db2.gz JFXLDIMGSWBAOB-VXKWHMMOSA-N 2 3 341.543 2.972 20 0 EFADHP C[NH+]1CCC(CC[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235361853 1313301720 /nfs/dbraw/zinc/30/17/20/1313301720.db2.gz JFXLDIMGSWBAOB-VXKWHMMOSA-N 2 3 341.543 2.972 20 0 EFADHP c1ccc([C@]23CCNC[C@@H]2C[N@H+](CCC2CC[NH2+]CC2)CC3)cc1 ZINC001235362785 1313301906 /nfs/dbraw/zinc/30/19/06/1313301906.db2.gz NIUMYHWSSJQDFC-NHCUHLMSSA-N 2 3 327.516 2.629 20 0 EFADHP c1ccc([C@]23CCNC[C@@H]2C[N@@H+](CCC2CC[NH2+]CC2)CC3)cc1 ZINC001235362785 1313301909 /nfs/dbraw/zinc/30/19/09/1313301909.db2.gz NIUMYHWSSJQDFC-NHCUHLMSSA-N 2 3 327.516 2.629 20 0 EFADHP c1ccc2c(c1)C[N@@H+](CCCN1CCCCC1)CC21CC[NH2+]CC1 ZINC001235972864 1313425307 /nfs/dbraw/zinc/42/53/07/1313425307.db2.gz FOIFKGMCTCHYTP-UHFFFAOYSA-N 2 3 327.516 2.999 20 0 EFADHP c1ccc2c(c1)C[N@H+](CCCN1CCCCC1)CC21CC[NH2+]CC1 ZINC001235972864 1313425309 /nfs/dbraw/zinc/42/53/09/1313425309.db2.gz FOIFKGMCTCHYTP-UHFFFAOYSA-N 2 3 327.516 2.999 20 0 EFADHP CCCN(CCC[NH+](C)C)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001236323187 1313469299 /nfs/dbraw/zinc/46/92/99/1313469299.db2.gz XILWSHBGXKGPKV-UHFFFAOYSA-N 2 3 328.504 2.908 20 0 EFADHP COc1ccc(C[N@H+](CC2(C)CC[NH2+]CC2)C2CCNCC2)cc1 ZINC001236440465 1313481672 /nfs/dbraw/zinc/48/16/72/1313481672.db2.gz MJDRCZXHGVIWSH-UHFFFAOYSA-N 2 3 331.504 2.639 20 0 EFADHP COc1ccc(C[N@@H+](CC2(C)CC[NH2+]CC2)C2CCNCC2)cc1 ZINC001236440465 1313481675 /nfs/dbraw/zinc/48/16/75/1313481675.db2.gz MJDRCZXHGVIWSH-UHFFFAOYSA-N 2 3 331.504 2.639 20 0 EFADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2nc3c(s2)CNCC3)C2CCCC2)CC1 ZINC001236574250 1313493410 /nfs/dbraw/zinc/49/34/10/1313493410.db2.gz LLHXVPTZMZEPQE-CTYIDZIISA-N 2 3 334.533 2.803 20 0 EFADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2nc3c(s2)CNCC3)C2CCCC2)CC1 ZINC001236574250 1313493413 /nfs/dbraw/zinc/49/34/13/1313493413.db2.gz LLHXVPTZMZEPQE-CTYIDZIISA-N 2 3 334.533 2.803 20 0 EFADHP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](CCCN(C)C)CC2 ZINC001278049846 1313582690 /nfs/dbraw/zinc/58/26/90/1313582690.db2.gz SUSURSPSFIRPMW-UHFFFAOYSA-N 2 3 336.549 2.691 20 0 EFADHP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](CCCN(C)C)CC2 ZINC001278049846 1313582693 /nfs/dbraw/zinc/58/26/93/1313582693.db2.gz SUSURSPSFIRPMW-UHFFFAOYSA-N 2 3 336.549 2.691 20 0 EFADHP c1c(CN2CCC3(CCC[NH2+]C3)CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001222461441 1311135912 /nfs/dbraw/zinc/13/59/12/1311135912.db2.gz UUOWPAIRRNILHE-UHFFFAOYSA-N 2 3 338.499 2.710 20 0 EFADHP CCN(CC)CCNC(=[NH2+])Nc1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC001163130116 1312247399 /nfs/dbraw/zinc/24/73/99/1312247399.db2.gz VUQNBCGMZUJFDL-KRWDZBQOSA-N 2 3 346.523 2.907 20 0 EFADHP CCN(CC)CCNC(=[NH2+])Nc1ccc([C@@H]2CCCC[N@H+]2CC)cn1 ZINC001163130116 1312247403 /nfs/dbraw/zinc/24/74/03/1312247403.db2.gz VUQNBCGMZUJFDL-KRWDZBQOSA-N 2 3 346.523 2.907 20 0 EFADHP Fc1ccc(C2(N[C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246337767 1314612379 /nfs/dbraw/zinc/61/23/79/1314612379.db2.gz VKPAQGKAUCERAD-RBUKOAKNSA-N 2 3 331.479 2.916 20 0 EFADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+]C2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001246337580 1314612641 /nfs/dbraw/zinc/61/26/41/1314612641.db2.gz AMVPSMCGNRGBGZ-SOAISFHBSA-N 2 3 328.504 2.634 20 0 EFADHP CC[C@H]1C[C@H]([NH2+]CC2(Cc3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246379922 1314619201 /nfs/dbraw/zinc/61/92/01/1314619201.db2.gz ROGBCZNPXSILAF-RBUKOAKNSA-N 2 3 333.495 2.858 20 0 EFADHP COc1ccc(C2(N[C@H]3CCC[C@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246379370 1314619308 /nfs/dbraw/zinc/61/93/08/1314619308.db2.gz CXCBMZDSUQTWAA-ICSRJNTNSA-N 2 3 343.515 2.786 20 0 EFADHP CC[C@H]1C[C@@H]([NH2+]CC2(Cc3cccc(OC)c3)CC[NH2+]CC2)CCN1 ZINC001246381996 1314619482 /nfs/dbraw/zinc/61/94/82/1314619482.db2.gz WPKAGRVYJCILAF-OALUTQOASA-N 2 3 345.531 2.728 20 0 EFADHP Clc1ccc(CC2([NH2+][C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)cc1 ZINC001246390324 1314621639 /nfs/dbraw/zinc/62/16/39/1314621639.db2.gz KATQSMIYKUXKNW-VQFNDLOPSA-N 2 3 333.907 2.592 20 0 EFADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)CCN1 ZINC001246416882 1314626854 /nfs/dbraw/zinc/62/68/54/1314626854.db2.gz UVIOSBJYFKTCBV-QAPCUYQASA-N 2 3 335.923 2.982 20 0 EFADHP CC(C)[C@@H]1C[C@@H](NCC2(c3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246436018 1314629038 /nfs/dbraw/zinc/62/90/38/1314629038.db2.gz IPVYLTNJDZFULP-LPHOPBHVSA-N 2 3 333.495 2.813 20 0 EFADHP C[C@@H](Cc1ccc(Br)cc1)NCCC[NH2+]CCCC[NH3+] ZINC001246457112 1314631401 /nfs/dbraw/zinc/63/14/01/1314631401.db2.gz NAZSBSIRQCQTND-AWEZNQCLSA-N 2 3 342.325 2.688 20 0 EFADHP C[NH2+]C1CCC([N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001246670484 1314668611 /nfs/dbraw/zinc/66/86/11/1314668611.db2.gz DHDKVNSHJIDSLR-UEKLYDJUSA-N 2 3 327.516 2.770 20 0 EFADHP C[NH2+]C1CCC([N@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001246670484 1314668616 /nfs/dbraw/zinc/66/86/16/1314668616.db2.gz DHDKVNSHJIDSLR-UEKLYDJUSA-N 2 3 327.516 2.770 20 0 EFADHP C[NH2+]C1CCC([N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001246670482 1314668645 /nfs/dbraw/zinc/66/86/45/1314668645.db2.gz DHDKVNSHJIDSLR-HAMDTZRPSA-N 2 3 327.516 2.770 20 0 EFADHP C[NH2+]C1CCC([N@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001246670482 1314668650 /nfs/dbraw/zinc/66/86/50/1314668650.db2.gz DHDKVNSHJIDSLR-HAMDTZRPSA-N 2 3 327.516 2.770 20 0 EFADHP CC[C@@H]1C[C@H](N2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246708386 1314674918 /nfs/dbraw/zinc/67/49/18/1314674918.db2.gz JNKNKJHKQJFCGH-XRXFAXGQSA-N 2 3 327.516 2.889 20 0 EFADHP CC[C@@H]1C[C@@H](N2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246708380 1314674953 /nfs/dbraw/zinc/67/49/53/1314674953.db2.gz JNKNKJHKQJFCGH-MHTWAQMVSA-N 2 3 327.516 2.889 20 0 EFADHP CC[C@@H]1C[C@@H](N2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246708380 1314674957 /nfs/dbraw/zinc/67/49/57/1314674957.db2.gz JNKNKJHKQJFCGH-MHTWAQMVSA-N 2 3 327.516 2.889 20 0 EFADHP CC[C@@H]1C[C@H](N2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)CC[NH2+]1 ZINC001246708384 1314675026 /nfs/dbraw/zinc/67/50/26/1314675026.db2.gz JNKNKJHKQJFCGH-UWHLTILDSA-N 2 3 327.516 2.889 20 0 EFADHP CC(C)[C@@H]1C[C@@H](N2Cc3ccccc3C3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246858213 1314697295 /nfs/dbraw/zinc/69/72/95/1314697295.db2.gz CCNOMOQLYSNMOR-ICSRJNTNSA-N 2 3 327.516 2.900 20 0 EFADHP C([C@H]1CCCNC1)[N@H+](C1CCCC1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246935971 1314710692 /nfs/dbraw/zinc/71/06/92/1314710692.db2.gz UVOZQQPMVYZVCZ-KKXNLOMOSA-N 2 3 335.536 2.532 20 0 EFADHP C([C@H]1CCCNC1)[N@@H+](C1CCCC1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246935971 1314710695 /nfs/dbraw/zinc/71/06/95/1314710695.db2.gz UVOZQQPMVYZVCZ-KKXNLOMOSA-N 2 3 335.536 2.532 20 0 EFADHP Fc1ccc(C[N@H+](CC2CC[NH2+]CC2)C2C[C@@H]3C=C[C@H](C2)N3)cc1 ZINC001246940941 1314711713 /nfs/dbraw/zinc/71/17/13/1314711713.db2.gz FQIFFRNCSYPHAT-YOFSQIOKSA-N 2 3 329.463 2.686 20 0 EFADHP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C2C[C@@H]3C=C[C@H](C2)N3)cc1 ZINC001246940941 1314711717 /nfs/dbraw/zinc/71/17/17/1314711717.db2.gz FQIFFRNCSYPHAT-YOFSQIOKSA-N 2 3 329.463 2.686 20 0 EFADHP Clc1ccc(C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)cc1 ZINC001246946994 1314713033 /nfs/dbraw/zinc/71/30/33/1314713033.db2.gz RAVZODWDQJLMOF-HGKCTWBKSA-N 2 3 333.907 2.892 20 0 EFADHP Clc1ccc(C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)cc1 ZINC001246946994 1314713036 /nfs/dbraw/zinc/71/30/36/1314713036.db2.gz RAVZODWDQJLMOF-HGKCTWBKSA-N 2 3 333.907 2.892 20 0 EFADHP C[NH2+]C1CCC([N@H+](Cc2ccc(OC)c(F)c2)C2CCNCC2)CC1 ZINC001246957535 1314715623 /nfs/dbraw/zinc/71/56/23/1314715623.db2.gz BQZFYIYMZYEUFT-UHFFFAOYSA-N 2 3 349.494 2.919 20 0 EFADHP C[NH2+]C1CCC([N@@H+](Cc2ccc(OC)c(F)c2)C2CCNCC2)CC1 ZINC001246957535 1314715626 /nfs/dbraw/zinc/71/56/26/1314715626.db2.gz BQZFYIYMZYEUFT-UHFFFAOYSA-N 2 3 349.494 2.919 20 0 EFADHP C[NH2+]C1CCC(N(Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246957535 1314715629 /nfs/dbraw/zinc/71/56/29/1314715629.db2.gz BQZFYIYMZYEUFT-UHFFFAOYSA-N 2 3 349.494 2.919 20 0 EFADHP Cc1cc(F)ccc1C[N@H+]([C@H]1CCC2(C[NH2+]C2)C1)C1CCNCC1 ZINC001246960813 1314716212 /nfs/dbraw/zinc/71/62/12/1314716212.db2.gz OGFFCKONCZVXMA-IBGZPJMESA-N 2 3 331.479 2.830 20 0 EFADHP Cc1cc(F)ccc1C[N@@H+]([C@H]1CCC2(C[NH2+]C2)C1)C1CCNCC1 ZINC001246960813 1314716215 /nfs/dbraw/zinc/71/62/15/1314716215.db2.gz OGFFCKONCZVXMA-IBGZPJMESA-N 2 3 331.479 2.830 20 0 EFADHP COc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246962412 1314716428 /nfs/dbraw/zinc/71/64/28/1314716428.db2.gz DHWDLPATJKFCNS-DSLXNQLJSA-N 2 3 331.504 2.908 20 0 EFADHP COc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246962412 1314716432 /nfs/dbraw/zinc/71/64/32/1314716432.db2.gz DHWDLPATJKFCNS-DSLXNQLJSA-N 2 3 331.504 2.908 20 0 EFADHP CC1(C)C[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C[C@@](C)(C[NH3+])C1 ZINC001256683109 1315980847 /nfs/dbraw/zinc/98/08/47/1315980847.db2.gz SANMABUSIRZDTE-CBJHCWRLSA-N 2 3 337.552 2.763 20 0 EFADHP [NH3+][C@H]1CC[C@H]([N@H+](C2CCC2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687617 1315982162 /nfs/dbraw/zinc/98/21/62/1315982162.db2.gz ZSLNRIZZLYKMOB-MXYYQSCMSA-N 2 3 335.536 2.754 20 0 EFADHP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687617 1315982164 /nfs/dbraw/zinc/98/21/64/1315982164.db2.gz ZSLNRIZZLYKMOB-MXYYQSCMSA-N 2 3 335.536 2.754 20 0 EFADHP Cc1c[nH+]ccc1N1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256865018 1316002178 /nfs/dbraw/zinc/00/21/78/1316002178.db2.gz PUYROYHBHQIRQP-UHFFFAOYSA-N 2 3 337.471 2.576 20 0 EFADHP C[C@H]1CN(CC2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C[C@H](C)O1 ZINC001553014240 1414642336 /nfs/dbraw/zinc/64/23/36/1414642336.db2.gz NYUDUNVYBCLKHZ-IMKFEJLOSA-N 2 3 349.563 2.728 20 0 EFADHP CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924948436 721822396 /nfs/dbraw/zinc/82/23/96/721822396.db2.gz CTXBCWYPRVKTGK-RTBURBONSA-N 2 3 346.563 2.672 20 0 EFADHP CN1CCC[C@@H]1CC[NH+]1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC001578529629 1090392026 /nfs/dbraw/zinc/39/20/26/1090392026.db2.gz VYRRADCPPVOVBS-SJLPKXTDSA-N 2 3 329.488 2.788 20 0 EFADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000414848752 244369986 /nfs/dbraw/zinc/36/99/86/244369986.db2.gz XENBHDZDCBQJHL-PMXSJFBMSA-N 2 3 327.516 2.876 20 0 EFADHP C[C@@H]1CN(CCC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000420318187 288156804 /nfs/dbraw/zinc/15/68/04/288156804.db2.gz NUMFLUBWJNOIJG-GGPKGHCWSA-N 2 3 337.552 2.587 20 0 EFADHP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000415019420 312077954 /nfs/dbraw/zinc/07/79/54/312077954.db2.gz VVGYSXSCOCCEOD-QGZVFWFLSA-N 2 3 332.536 2.824 20 0 EFADHP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(OCCN(C)C)cc1 ZINC000423538930 312431595 /nfs/dbraw/zinc/43/15/95/312431595.db2.gz HHMBMHPOJLDJIP-GDAAHCPNSA-N 2 3 331.504 2.666 20 0 EFADHP CN(c1ccccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1)C1CCN(C)CC1 ZINC000442925780 476704050 /nfs/dbraw/zinc/70/40/50/476704050.db2.gz WTMUNTMGOOFAAW-GOSISDBHSA-N 2 3 344.547 2.778 20 0 EFADHP CN(c1ccccc1C[N@H+]1CCC[C@H](CC[NH3+])C1)C1CCN(C)CC1 ZINC000442925780 476704060 /nfs/dbraw/zinc/70/40/60/476704060.db2.gz WTMUNTMGOOFAAW-GOSISDBHSA-N 2 3 344.547 2.778 20 0 EFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCNCC[C@H]3C)CC2)cc1 ZINC000422775498 476770793 /nfs/dbraw/zinc/77/07/93/476770793.db2.gz ANYNXCCBXGEYJK-DYESRHJHSA-N 2 3 345.531 2.885 20 0 EFADHP N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422907065 476841233 /nfs/dbraw/zinc/84/12/33/476841233.db2.gz AUMRGHVJYDRISN-UXHICEINSA-N 2 3 331.504 2.911 20 0 EFADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000422915596 476845085 /nfs/dbraw/zinc/84/50/85/476845085.db2.gz YRYDXUSGQLGRLE-LASHMREHSA-N 2 3 337.552 2.776 20 0 EFADHP C[C@H]([NH3+])C[C@H](C)NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000423016398 476893193 /nfs/dbraw/zinc/89/31/93/476893193.db2.gz MPZPPETXAQJYBX-VJANTYMQSA-N 2 3 347.547 2.911 20 0 EFADHP C[C@H](N)C[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000423016398 476893194 /nfs/dbraw/zinc/89/31/94/476893194.db2.gz MPZPPETXAQJYBX-VJANTYMQSA-N 2 3 347.547 2.911 20 0 EFADHP CN(c1ccccc1C[NH2+]CCC[C@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000414963144 476904139 /nfs/dbraw/zinc/90/41/39/476904139.db2.gz CQWGISRBBKBRGO-IBGZPJMESA-N 2 3 344.547 2.839 20 0 EFADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423105457 476930123 /nfs/dbraw/zinc/93/01/23/476930123.db2.gz NKBOTBNMICVSPH-OXQOHEQNSA-N 2 3 331.504 2.637 20 0 EFADHP C[N@@H+]1CCC[C@H](CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423173405 476954072 /nfs/dbraw/zinc/95/40/72/476954072.db2.gz YKSMWNULTKKRQX-YVWKXTFCSA-N 2 3 329.488 2.564 20 0 EFADHP C[N@H+]1CCC[C@H](CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423173405 476954077 /nfs/dbraw/zinc/95/40/77/476954077.db2.gz YKSMWNULTKKRQX-YVWKXTFCSA-N 2 3 329.488 2.564 20 0 EFADHP C[N@@H+]1CCC[C@H](CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423173403 476954331 /nfs/dbraw/zinc/95/43/31/476954331.db2.gz YKSMWNULTKKRQX-KPFFTGBYSA-N 2 3 329.488 2.564 20 0 EFADHP C[N@H+]1CCC[C@H](CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423173403 476954336 /nfs/dbraw/zinc/95/43/36/476954336.db2.gz YKSMWNULTKKRQX-KPFFTGBYSA-N 2 3 329.488 2.564 20 0 EFADHP c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423254704 476975979 /nfs/dbraw/zinc/97/59/79/476975979.db2.gz ZFTPYCXQJRZZRD-WJMWBRGCSA-N 2 3 327.516 2.876 20 0 EFADHP c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000423254701 476976548 /nfs/dbraw/zinc/97/65/48/476976548.db2.gz ZFTPYCXQJRZZRD-HZEGPAAWSA-N 2 3 327.516 2.876 20 0 EFADHP c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423331148 476998144 /nfs/dbraw/zinc/99/81/44/476998144.db2.gz CKNIAVPFHSOKNX-PWRODBHTSA-N 2 3 325.500 2.796 20 0 EFADHP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(OCCN(C)C)c1 ZINC000423555624 477070731 /nfs/dbraw/zinc/07/07/31/477070731.db2.gz YFOUMNUDAUARQG-DSLXNQLJSA-N 2 3 331.504 2.666 20 0 EFADHP CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543364 480993387 /nfs/dbraw/zinc/99/33/87/480993387.db2.gz LUCQKOGYLFSQQK-WOJBJXKFSA-N 2 3 345.531 2.839 20 0 EFADHP CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543364 480993398 /nfs/dbraw/zinc/99/33/98/480993398.db2.gz LUCQKOGYLFSQQK-WOJBJXKFSA-N 2 3 345.531 2.839 20 0 EFADHP c1cc(CN2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)ccn1 ZINC000665240582 481740105 /nfs/dbraw/zinc/74/01/05/481740105.db2.gz NXAHGFCRJJDFNZ-PWRODBHTSA-N 2 3 342.531 2.804 20 0 EFADHP [NH3+]CCCCCCN1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235646435 1313366409 /nfs/dbraw/zinc/36/64/09/1313366409.db2.gz OXAIYSFCKWZCPO-UHFFFAOYSA-N 2 3 333.524 2.640 20 0 EFADHP COc1ccc(C[N@H+](CC[C@H]2CCC[NH2+]C2)C2CCNCC2)cc1 ZINC001236439988 1313481392 /nfs/dbraw/zinc/48/13/92/1313481392.db2.gz IUBJKBFEYFMMBT-QGZVFWFLSA-N 2 3 331.504 2.639 20 0 EFADHP COc1ccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C2CCNCC2)cc1 ZINC001236439988 1313481393 /nfs/dbraw/zinc/48/13/93/1313481393.db2.gz IUBJKBFEYFMMBT-QGZVFWFLSA-N 2 3 331.504 2.639 20 0 EFADHP COc1ccc(CN(CC[C@H]2CCC[NH2+]C2)C2CC[NH2+]CC2)cc1 ZINC001236439988 1313481395 /nfs/dbraw/zinc/48/13/95/1313481395.db2.gz IUBJKBFEYFMMBT-QGZVFWFLSA-N 2 3 331.504 2.639 20 0 EFADHP COc1ccc(C[N@H+](C[C@H]2CCCNC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236542264 1313490436 /nfs/dbraw/zinc/49/04/36/1313490436.db2.gz CBKMWGFDVJFREX-FHWLQOOXSA-N 2 3 331.504 2.767 20 0 EFADHP COc1ccc(C[N@@H+](C[C@H]2CCCNC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236542264 1313490439 /nfs/dbraw/zinc/49/04/39/1313490439.db2.gz CBKMWGFDVJFREX-FHWLQOOXSA-N 2 3 331.504 2.767 20 0 EFADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc3n2CCNC3)Cc2ccccc2)CC1 ZINC001236690727 1313509943 /nfs/dbraw/zinc/50/99/43/1313509943.db2.gz VFRAWJCYHSTWJR-WGSAOQKQSA-N 2 3 338.499 2.863 20 0 EFADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc3n2CCNC3)Cc2ccccc2)CC1 ZINC001236690727 1313509946 /nfs/dbraw/zinc/50/99/46/1313509946.db2.gz VFRAWJCYHSTWJR-WGSAOQKQSA-N 2 3 338.499 2.863 20 0 EFADHP C[NH+]1CCC(c2ccc(-c3cc(N4CC[NH2+]CC4)ccn3)cc2)CC1 ZINC001243654656 1314308813 /nfs/dbraw/zinc/30/88/13/1314308813.db2.gz KPOVJTWLRYEYBW-UHFFFAOYSA-N 2 3 336.483 2.967 20 0 EFADHP Nc1cc[nH+]c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001159459889 1311520152 /nfs/dbraw/zinc/52/01/52/1311520152.db2.gz HAGOFRBBACXQMX-UHFFFAOYSA-N 2 3 335.455 2.573 20 0 EFADHP Fc1ccc(C2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)cc1 ZINC001246214536 1314598928 /nfs/dbraw/zinc/59/89/28/1314598928.db2.gz UGXRMJKVPOHLNG-GOSISDBHSA-N 2 3 331.479 2.711 20 0 EFADHP CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(OC)c3)CC[NH2+]CC2)CCN1 ZINC001246381995 1314619394 /nfs/dbraw/zinc/61/93/94/1314619394.db2.gz WPKAGRVYJCILAF-MOPGFXCFSA-N 2 3 345.531 2.728 20 0 EFADHP COc1ccc(C2(N[C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246379371 1314619694 /nfs/dbraw/zinc/61/96/94/1314619694.db2.gz CXCBMZDSUQTWAA-QUCCMNQESA-N 2 3 343.515 2.786 20 0 EFADHP Clc1ccccc1CC1([NH2+][C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCNCC1 ZINC001246384751 1314619924 /nfs/dbraw/zinc/61/99/24/1314619924.db2.gz AUOKPURQOYVBTA-FVQHAEBGSA-N 2 3 333.907 2.592 20 0 EFADHP CC(C)[C@@H]1C[C@@H](NCC2(c3cccc(F)c3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246385301 1314620108 /nfs/dbraw/zinc/62/01/08/1314620108.db2.gz CTGYFMIEQSXABX-OALUTQOASA-N 2 3 333.495 2.813 20 0 EFADHP COc1cccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246389554 1314620645 /nfs/dbraw/zinc/62/06/45/1314620645.db2.gz PPKHIXLGCADZBI-BWTSREIZSA-N 2 3 343.515 2.579 20 0 EFADHP Fc1ccc(CC2([NH2+]C3CCC4(C[NH2+]C4)CC3)CCNCC2)cc1 ZINC001246391811 1314621820 /nfs/dbraw/zinc/62/18/20/1314621820.db2.gz OVSJDDUGYKLPHS-UHFFFAOYSA-N 2 3 331.479 2.612 20 0 EFADHP Clc1ccccc1CC1([NH2+][C@H]2CCC3(C[NH2+]C3)C2)CCNCC1 ZINC001246396816 1314623048 /nfs/dbraw/zinc/62/30/48/1314623048.db2.gz ZUCHDPYQIUGYSN-INIZCTEOSA-N 2 3 333.907 2.736 20 0 EFADHP CCCC[C@H]1C[C@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246411567 1314625817 /nfs/dbraw/zinc/62/58/17/1314625817.db2.gz AQASNMANSWOSRZ-VQTJNVASSA-N 2 3 344.547 2.894 20 0 EFADHP CCCC[C@H]1C[C@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246424436 1314627573 /nfs/dbraw/zinc/62/75/73/1314627573.db2.gz VDFIIWICECSXEI-RBUKOAKNSA-N 2 3 330.520 2.603 20 0 EFADHP CCCC[C@@H]1C[C@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246429843 1314628290 /nfs/dbraw/zinc/62/82/90/1314628290.db2.gz WNBBGNMLRDUJHV-QZTJIDSGSA-N 2 3 330.520 2.603 20 0 EFADHP Fc1ccccc1C1([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246435365 1314629277 /nfs/dbraw/zinc/62/92/77/1314629277.db2.gz HUMPRRVKIQTEQV-VQIMIIECSA-N 2 3 331.479 2.916 20 0 EFADHP COc1ccc(Cl)c2c1C[C@H](NCCC[NH2+]CCCC[NH3+])CC2 ZINC001246458742 1314631626 /nfs/dbraw/zinc/63/16/26/1314631626.db2.gz UTBMPUFNHJJKIA-CQSZACIVSA-N 2 3 339.911 2.514 20 0 EFADHP C[NH2+]C1CCC([N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001246670486 1314668543 /nfs/dbraw/zinc/66/85/43/1314668543.db2.gz DHDKVNSHJIDSLR-WCHWRFHJSA-N 2 3 327.516 2.770 20 0 EFADHP C[NH2+]C1CCC([N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001246670486 1314668547 /nfs/dbraw/zinc/66/85/47/1314668547.db2.gz DHDKVNSHJIDSLR-WCHWRFHJSA-N 2 3 327.516 2.770 20 0 EFADHP CCCCN(C)CCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254048614 1315669321 /nfs/dbraw/zinc/66/93/21/1315669321.db2.gz TYNHOYRYZGIPKA-UHFFFAOYSA-N 2 3 347.547 2.725 20 0 EFADHP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001256907714 1316008421 /nfs/dbraw/zinc/00/84/21/1316008421.db2.gz HIWSZSNJCYVDJZ-QGZVFWFLSA-N 2 3 338.584 2.869 20 0 EFADHP CC1([NH+]2CCOCC2)CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC001551379169 1414049929 /nfs/dbraw/zinc/04/99/29/1414049929.db2.gz IFNVECUUWSXJEE-YZDRJCRTSA-N 2 3 349.563 2.778 20 0 EFADHP COc1ccccc1C1([NH3+])CCN(C2CCC([NH+](C)C)CC2)CC1 ZINC001168304845 1106459118 /nfs/dbraw/zinc/45/91/18/1106459118.db2.gz FRBFYLDHOISFGD-UHFFFAOYSA-N 2 3 331.504 2.818 20 0 EFADHP C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000356875324 147360403 /nfs/dbraw/zinc/36/04/03/147360403.db2.gz YSYHNGANAMTFRX-FXAWDEMLSA-N 2 3 331.504 2.591 20 0 EFADHP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000356875324 147360406 /nfs/dbraw/zinc/36/04/06/147360406.db2.gz YSYHNGANAMTFRX-FXAWDEMLSA-N 2 3 331.504 2.591 20 0 EFADHP C[C@H]1CN(CCC2CC[NH+](CCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000359217208 148025853 /nfs/dbraw/zinc/02/58/53/148025853.db2.gz JSGRTKDZNKZOOJ-ROUUACIJSA-N 2 3 337.552 2.587 20 0 EFADHP CCCN1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000120634364 544588359 /nfs/dbraw/zinc/58/83/59/544588359.db2.gz PFDOMRPWQHYDCB-OAQYLSRUSA-N 2 3 345.531 2.607 20 0 EFADHP CCCN1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000120634364 544588363 /nfs/dbraw/zinc/58/83/63/544588363.db2.gz PFDOMRPWQHYDCB-OAQYLSRUSA-N 2 3 345.531 2.607 20 0 EFADHP C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000165345404 544847946 /nfs/dbraw/zinc/84/79/46/544847946.db2.gz POQXDCLZNKSESP-ICSRJNTNSA-N 2 3 329.532 2.871 20 0 EFADHP C[C@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000415136617 312101315 /nfs/dbraw/zinc/10/13/15/312101315.db2.gz XKYUIAMXQFMBJM-HKUYNNGSSA-N 2 3 344.547 2.634 20 0 EFADHP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000566089490 319031095 /nfs/dbraw/zinc/03/10/95/319031095.db2.gz CZNYHCGXEMHWTG-SGLNWRHMSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000566089490 319031096 /nfs/dbraw/zinc/03/10/96/319031096.db2.gz CZNYHCGXEMHWTG-SGLNWRHMSA-N 2 3 345.531 2.760 20 0 EFADHP c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000578518523 320213849 /nfs/dbraw/zinc/21/38/49/320213849.db2.gz OGLKTOGDGLZIJD-HBMCJLEFSA-N 2 3 327.516 2.876 20 0 EFADHP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000422800310 476781283 /nfs/dbraw/zinc/78/12/83/476781283.db2.gz BEBOHWWIWHNEOC-JRGCBEDISA-N 2 3 345.531 2.760 20 0 EFADHP C[C@@H]1CN(CCC2CC[NH+](CCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000359217202 476213581 /nfs/dbraw/zinc/21/35/81/476213581.db2.gz JSGRTKDZNKZOOJ-HDICACEKSA-N 2 3 337.552 2.587 20 0 EFADHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422895594 476832080 /nfs/dbraw/zinc/83/20/80/476832080.db2.gz WEUUAKAXWUZBCE-YLJYHZDGSA-N 2 3 333.520 2.885 20 0 EFADHP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000422914549 476842864 /nfs/dbraw/zinc/84/28/64/476842864.db2.gz URYMAOIBCQMHAA-AKHDSKFASA-N 2 3 325.541 2.776 20 0 EFADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422915126 476844880 /nfs/dbraw/zinc/84/48/80/476844880.db2.gz XFEAHQZDVFMOBU-XLIONFOSSA-N 2 3 331.504 2.639 20 0 EFADHP C[C@@H]1C[C@H](C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000414702276 476888883 /nfs/dbraw/zinc/88/88/83/476888883.db2.gz IFOVDKOUDUMOMP-DOADOZAASA-N 2 3 337.552 2.586 20 0 EFADHP C[N@@H+]1CCC[C@H](CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423173404 476953050 /nfs/dbraw/zinc/95/30/50/476953050.db2.gz YKSMWNULTKKRQX-POAQFYNOSA-N 2 3 329.488 2.564 20 0 EFADHP C[N@H+]1CCC[C@H](CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423173404 476953055 /nfs/dbraw/zinc/95/30/55/476953055.db2.gz YKSMWNULTKKRQX-POAQFYNOSA-N 2 3 329.488 2.564 20 0 EFADHP COC[C@]1(CNC2CCC([N@H+](C)Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000423412223 477024617 /nfs/dbraw/zinc/02/46/17/477024617.db2.gz HFJTWNATGAQPPC-XVAXZDLZSA-N 2 3 345.531 2.788 20 0 EFADHP COC[C@]1(CNC2CCC([N@@H+](C)Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000423412223 477024623 /nfs/dbraw/zinc/02/46/23/477024623.db2.gz HFJTWNATGAQPPC-XVAXZDLZSA-N 2 3 345.531 2.788 20 0 EFADHP COC[C@@]1(CNC2CCC([N@H+](C)Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000423412222 477025318 /nfs/dbraw/zinc/02/53/18/477025318.db2.gz HFJTWNATGAQPPC-CBNMVNINSA-N 2 3 345.531 2.788 20 0 EFADHP COC[C@@]1(CNC2CCC([N@@H+](C)Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000423412222 477025323 /nfs/dbraw/zinc/02/53/23/477025323.db2.gz HFJTWNATGAQPPC-CBNMVNINSA-N 2 3 345.531 2.788 20 0 EFADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(OCCN(C)C)c1 ZINC000423555627 477069802 /nfs/dbraw/zinc/06/98/02/477069802.db2.gz YFOUMNUDAUARQG-WZGPROSRSA-N 2 3 331.504 2.666 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000576218926 479566707 /nfs/dbraw/zinc/56/67/07/479566707.db2.gz DXIFUAXYYHSZOL-IDPBPBMLSA-N 2 3 345.531 2.903 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000576218926 479566710 /nfs/dbraw/zinc/56/67/10/479566710.db2.gz DXIFUAXYYHSZOL-IDPBPBMLSA-N 2 3 345.531 2.903 20 0 EFADHP c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647785922 481104865 /nfs/dbraw/zinc/10/48/65/481104865.db2.gz GEVHJHWQSWJFIH-PLACYPQZSA-N 2 3 327.516 2.529 20 0 EFADHP C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000643541236 481498955 /nfs/dbraw/zinc/49/89/55/481498955.db2.gz WXPWONKPIQDNRG-ZAAXVRCTSA-N 2 3 333.495 2.839 20 0 EFADHP COCC[N@H+](C)CCCC1CCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000347599699 536776823 /nfs/dbraw/zinc/77/68/23/536776823.db2.gz KCCQAFDKMSXSNW-HXUWFJFHSA-N 2 3 339.568 2.931 20 0 EFADHP COCC[N@@H+](C)CCCC1CCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000347599699 536776828 /nfs/dbraw/zinc/77/68/28/536776828.db2.gz KCCQAFDKMSXSNW-HXUWFJFHSA-N 2 3 339.568 2.931 20 0 EFADHP COCC[NH+](C)CCCC1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000347599699 536776833 /nfs/dbraw/zinc/77/68/33/536776833.db2.gz KCCQAFDKMSXSNW-HXUWFJFHSA-N 2 3 339.568 2.931 20 0 EFADHP COCC[NH+](C)CCCC1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000347599699 536776840 /nfs/dbraw/zinc/77/68/40/536776840.db2.gz KCCQAFDKMSXSNW-HXUWFJFHSA-N 2 3 339.568 2.931 20 0 EFADHP CN(c1ccccc1CN[C@@H]1CCC[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000414929302 546194585 /nfs/dbraw/zinc/19/45/85/546194585.db2.gz RGLLVPZQBKAJGG-ZWKOTPCHSA-N 2 3 330.520 2.577 20 0 EFADHP CN(c1ccccc1CN[C@@H]1CCC[C@@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000414929290 546194855 /nfs/dbraw/zinc/19/48/55/546194855.db2.gz RGLLVPZQBKAJGG-QZTJIDSGSA-N 2 3 330.520 2.577 20 0 EFADHP CC[NH+](CC)C1CCC(N2CCC([NH3+])(c3cccnc3)CC2)CC1 ZINC001173107074 1286414154 /nfs/dbraw/zinc/41/41/54/1286414154.db2.gz VNPDAVDWUVHTLS-UHFFFAOYSA-N 2 3 330.520 2.984 20 0 EFADHP CC(C)[N@@H+]1CCCC1CC(=O)N1CCC[NH+](CCCCCF)CC1 ZINC001196163110 1294154942 /nfs/dbraw/zinc/15/49/42/1294154942.db2.gz IBVSMZRHIKBVQE-SFHVURJKSA-N 2 3 341.515 2.923 20 0 EFADHP CC(C)[N@H+]1CCCC1CC(=O)N1CCC[NH+](CCCCCF)CC1 ZINC001196163110 1294154945 /nfs/dbraw/zinc/15/49/45/1294154945.db2.gz IBVSMZRHIKBVQE-SFHVURJKSA-N 2 3 341.515 2.923 20 0 EFADHP CC(C)[NH+]1CCCC1CC(=O)N1CCC[N@H+](CCCCCF)CC1 ZINC001196163110 1294154947 /nfs/dbraw/zinc/15/49/47/1294154947.db2.gz IBVSMZRHIKBVQE-SFHVURJKSA-N 2 3 341.515 2.923 20 0 EFADHP CC(C)[NH+]1CCCC1CC(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001196163110 1294154950 /nfs/dbraw/zinc/15/49/50/1294154950.db2.gz IBVSMZRHIKBVQE-SFHVURJKSA-N 2 3 341.515 2.923 20 0 EFADHP C[NH+]1CCC(CC[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235361851 1313301515 /nfs/dbraw/zinc/30/15/15/1313301515.db2.gz JFXLDIMGSWBAOB-FCHUYYIVSA-N 2 3 341.543 2.972 20 0 EFADHP C[NH+]1CCC(CC[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235361851 1313301519 /nfs/dbraw/zinc/30/15/19/1313301519.db2.gz JFXLDIMGSWBAOB-FCHUYYIVSA-N 2 3 341.543 2.972 20 0 EFADHP C[NH+]1CCC(C)(C[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235363681 1313302888 /nfs/dbraw/zinc/30/28/88/1313302888.db2.gz JKIPELGTLTWVEY-IRLDBZIGSA-N 2 3 341.543 2.972 20 0 EFADHP C[NH+]1CCC(C)(C[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235363681 1313302891 /nfs/dbraw/zinc/30/28/91/1313302891.db2.gz JKIPELGTLTWVEY-IRLDBZIGSA-N 2 3 341.543 2.972 20 0 EFADHP CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CCCC[NH3+])CC2 ZINC001235525763 1313344706 /nfs/dbraw/zinc/34/47/06/1313344706.db2.gz LHMTVTORMAZXCZ-INIZCTEOSA-N 2 3 337.533 2.542 20 0 EFADHP Cc1cc(F)cc(CN(CCC23CC([NH3+])(C2)C3)C2CC[NH2+]CC2)c1 ZINC001236480346 1313485779 /nfs/dbraw/zinc/48/57/79/1313485779.db2.gz CGFVVMDWVOVDMW-UHFFFAOYSA-N 2 3 331.479 2.960 20 0 EFADHP Cc1cc(F)cc(C[N@H+](CCC23CC([NH3+])(C2)C3)C2CCNCC2)c1 ZINC001236480346 1313485783 /nfs/dbraw/zinc/48/57/83/1313485783.db2.gz CGFVVMDWVOVDMW-UHFFFAOYSA-N 2 3 331.479 2.960 20 0 EFADHP Cc1cc(F)cc(C[N@@H+](CCC23CC([NH3+])(C2)C3)C2CCNCC2)c1 ZINC001236480346 1313485785 /nfs/dbraw/zinc/48/57/85/1313485785.db2.gz CGFVVMDWVOVDMW-UHFFFAOYSA-N 2 3 331.479 2.960 20 0 EFADHP CC(C)(C)C[N@H+](Cc1nc2c(s1)CNCC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236780963 1313527725 /nfs/dbraw/zinc/52/77/25/1313527725.db2.gz ZMJIRNIBQLYUST-HDJSIYSDSA-N 2 3 336.549 2.907 20 0 EFADHP CC(C)(C)C[N@@H+](Cc1nc2c(s1)CNCC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236780963 1313527728 /nfs/dbraw/zinc/52/77/28/1313527728.db2.gz ZMJIRNIBQLYUST-HDJSIYSDSA-N 2 3 336.549 2.907 20 0 EFADHP CCCN(Cc1ccc(OCCC[NH+](C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236833414 1313538561 /nfs/dbraw/zinc/53/85/61/1313538561.db2.gz AUDGPOQHMFUWTL-IBGZPJMESA-N 2 3 333.520 2.839 20 0 EFADHP [NH3+]CCCC[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222575685 1311154998 /nfs/dbraw/zinc/15/49/98/1311154998.db2.gz OMEINSMHMVBCAH-IBGZPJMESA-N 2 3 331.504 2.529 20 0 EFADHP [NH3+]CCCC[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222575685 1311155001 /nfs/dbraw/zinc/15/50/01/1311155001.db2.gz OMEINSMHMVBCAH-IBGZPJMESA-N 2 3 331.504 2.529 20 0 EFADHP C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246178640 1314593888 /nfs/dbraw/zinc/59/38/88/1314593888.db2.gz OIKUKQJCNRXKHJ-MSOLQXFVSA-N 2 3 335.536 2.580 20 0 EFADHP C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246178642 1314594282 /nfs/dbraw/zinc/59/42/82/1314594282.db2.gz OIKUKQJCNRXKHJ-QZTJIDSGSA-N 2 3 335.536 2.580 20 0 EFADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001246338198 1314612434 /nfs/dbraw/zinc/61/24/34/1314612434.db2.gz CTKRFBAACUPVPM-MJGOQNOKSA-N 2 3 328.504 2.634 20 0 EFADHP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3Cl)CC[NH2+]CC2)CCN1 ZINC001246372574 1314617429 /nfs/dbraw/zinc/61/74/29/1314617429.db2.gz SUZHUHCIXLRVHP-DOTOQJQBSA-N 2 3 335.923 2.982 20 0 EFADHP CC[C@H]1C[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246379921 1314619081 /nfs/dbraw/zinc/61/90/81/1314619081.db2.gz ROGBCZNPXSILAF-OALUTQOASA-N 2 3 333.495 2.858 20 0 EFADHP COc1cccc(CC2(C[NH2+][C@@H]3CCNC(C)(C)C3)CC[NH2+]CC2)c1 ZINC001246379798 1314619572 /nfs/dbraw/zinc/61/95/72/1314619572.db2.gz GPVOOZMVFWVMMZ-GOSISDBHSA-N 2 3 345.531 2.728 20 0 EFADHP CC[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246379924 1314619668 /nfs/dbraw/zinc/61/96/68/1314619668.db2.gz ROGBCZNPXSILAF-RTBURBONSA-N 2 3 333.495 2.858 20 0 EFADHP Fc1cccc(C2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246398989 1314623716 /nfs/dbraw/zinc/62/37/16/1314623716.db2.gz ZDSKSHBCBSMBHM-GOSISDBHSA-N 2 3 331.479 2.711 20 0 EFADHP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)CCN1 ZINC001246416880 1314626821 /nfs/dbraw/zinc/62/68/21/1314626821.db2.gz UVIOSBJYFKTCBV-CRAIPNDOSA-N 2 3 335.923 2.982 20 0 EFADHP COc1cccc(C2(N[C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)c1 ZINC001246413936 1314627031 /nfs/dbraw/zinc/62/70/31/1314627031.db2.gz GVBJVPPNHGKYMG-UYAOXDASSA-N 2 3 343.515 2.786 20 0 EFADHP Clc1cccc(C2(CN[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)c1 ZINC001246426643 1314628018 /nfs/dbraw/zinc/62/80/18/1314628018.db2.gz ILSJSSDCSDLQAQ-PIIMJCKOSA-N 2 3 333.907 2.834 20 0 EFADHP CC(C)[C@H]1C[C@H](NCC2(c3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246436025 1314628997 /nfs/dbraw/zinc/62/89/97/1314628997.db2.gz IPVYLTNJDZFULP-VQIMIIECSA-N 2 3 333.495 2.813 20 0 EFADHP C[C@H](Cc1ccccc1Br)NCCC[NH2+]CCCC[NH3+] ZINC001246455010 1314630777 /nfs/dbraw/zinc/63/07/77/1314630777.db2.gz CXEXGAYEIJMMKB-CQSZACIVSA-N 2 3 342.325 2.688 20 0 EFADHP C1CCC2(CC1)C[C@H](N1CCC(OC3CC[NH2+]CC3)CC1)CC[NH2+]2 ZINC001246664571 1314666571 /nfs/dbraw/zinc/66/65/71/1314666571.db2.gz SDWJACKHQCKHFC-QGZVFWFLSA-N 2 3 335.536 2.674 20 0 EFADHP CC(C)[C@@H]1C[C@H](N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246805908 1314686009 /nfs/dbraw/zinc/68/60/09/1314686009.db2.gz LFICKHXJNSBQDT-BURNTYAHSA-N 2 3 327.516 2.827 20 0 EFADHP CN(C)CCC[NH+](CCCN(C)C)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246830995 1314691374 /nfs/dbraw/zinc/69/13/74/1314691374.db2.gz JNYJQWJZWDLEGA-UHFFFAOYSA-N 2 3 338.584 2.504 20 0 EFADHP CC(C)[C@H]1C[C@H](N2Cc3ccccc3C3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246858215 1314697831 /nfs/dbraw/zinc/69/78/31/1314697831.db2.gz CCNOMOQLYSNMOR-UYAOXDASSA-N 2 3 327.516 2.900 20 0 EFADHP CC(C)[C@H]1C[C@@H](N2Cc3ccccc3C3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246858212 1314698044 /nfs/dbraw/zinc/69/80/44/1314698044.db2.gz CCNOMOQLYSNMOR-AZUAARDMSA-N 2 3 327.516 2.900 20 0 EFADHP CC[NH+](CC)CCC[C@H](C)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882632 1314702193 /nfs/dbraw/zinc/70/21/93/1314702193.db2.gz ZKTMXTVNVNZOLJ-TYPHKJRUSA-N 2 3 329.532 2.970 20 0 EFADHP Fc1ccc(CN(CC2CC[NH2+]CC2)[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246941129 1314711757 /nfs/dbraw/zinc/71/17/57/1314711757.db2.gz XULDMFIYKOAKRR-PMOLBWCYSA-N 2 3 331.479 2.910 20 0 EFADHP Clc1ccc(C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)cc1 ZINC001246946995 1314713270 /nfs/dbraw/zinc/71/32/70/1314713270.db2.gz RAVZODWDQJLMOF-MNZLEMJZSA-N 2 3 333.907 2.892 20 0 EFADHP Clc1ccc(C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)cc1 ZINC001246946995 1314713274 /nfs/dbraw/zinc/71/32/74/1314713274.db2.gz RAVZODWDQJLMOF-MNZLEMJZSA-N 2 3 333.907 2.892 20 0 EFADHP Cc1cc(F)cc(C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)c1 ZINC001246952848 1314714334 /nfs/dbraw/zinc/71/43/34/1314714334.db2.gz YATDLOGXVXTMFA-XEMDLRDOSA-N 2 3 331.479 2.686 20 0 EFADHP Cc1cc(F)cc(C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)c1 ZINC001246952848 1314714336 /nfs/dbraw/zinc/71/43/36/1314714336.db2.gz YATDLOGXVXTMFA-XEMDLRDOSA-N 2 3 331.479 2.686 20 0 EFADHP CC[NH+](CC)C1CCC([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256683990 1315981500 /nfs/dbraw/zinc/98/15/00/1315981500.db2.gz KIODITHVEJZTDW-UHFFFAOYSA-N 2 3 337.552 2.872 20 0 EFADHP C[C@H](C[NH2+]C1CCC(N2CCOCC2)CC1)CC(C)(C)CC[NH3+] ZINC001256684908 1315981730 /nfs/dbraw/zinc/98/17/30/1315981730.db2.gz VYGAXANMQJJMJZ-AOCRQIFASA-N 2 3 325.541 2.621 20 0 EFADHP CC(C)[NH+]1CCC(C[N@H+](C)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256695148 1315982929 /nfs/dbraw/zinc/98/29/29/1315982929.db2.gz OVANWINNOCYSTQ-UHFFFAOYSA-N 2 3 337.552 2.682 20 0 EFADHP CC(C)[NH+]1CCC(C[N@@H+](C)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256695148 1315982932 /nfs/dbraw/zinc/98/29/32/1315982932.db2.gz OVANWINNOCYSTQ-UHFFFAOYSA-N 2 3 337.552 2.682 20 0 EFADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC1([NH+]2CCCCC2)CCCCC1 ZINC000849054797 1335060144 /nfs/dbraw/zinc/06/01/44/1335060144.db2.gz CJYPFQHAHUYDPM-SFHVURJKSA-N 2 3 349.567 2.773 20 0 EFADHP C[C@@H]1CN(CC2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C[C@@H](C)O1 ZINC001553014241 1414642788 /nfs/dbraw/zinc/64/27/88/1414642788.db2.gz NYUDUNVYBCLKHZ-LVNQGSGBSA-N 2 3 349.563 2.728 20 0 EFADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC001553023824 1414648544 /nfs/dbraw/zinc/64/85/44/1414648544.db2.gz GRNJICKEDHGKEU-OTWHNJEPSA-N 2 3 328.504 2.664 20 0 EFADHP CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924948417 721822304 /nfs/dbraw/zinc/82/23/04/721822304.db2.gz CTXBCWYPRVKTGK-MOPGFXCFSA-N 2 3 346.563 2.672 20 0 EFADHP CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924948432 721822386 /nfs/dbraw/zinc/82/23/86/721822386.db2.gz CTXBCWYPRVKTGK-RBUKOAKNSA-N 2 3 346.563 2.672 20 0 EFADHP C[C@@H]1C[NH+](CCOc2ccc(CCNCC(C)(C)[NH3+])cc2)C[C@H]1C ZINC001576807638 1089469566 /nfs/dbraw/zinc/46/95/66/1089469566.db2.gz SNYSMCZMJBRIHD-IAGOWNOFSA-N 2 3 333.520 2.523 20 0 EFADHP CN1CCC[C@H]1CC[NH+]1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC001578529630 1090391575 /nfs/dbraw/zinc/39/15/75/1090391575.db2.gz VYRRADCPPVOVBS-WMZOPIPTSA-N 2 3 329.488 2.788 20 0 EFADHP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[C@@H](N3CCOCC3)CC1)C2 ZINC001167975209 1099362182 /nfs/dbraw/zinc/36/21/82/1099362182.db2.gz MFUAAXBDQYNTBY-KUJXNZTCSA-N 2 3 347.547 2.625 20 0 EFADHP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[C@@H](N3CCOCC3)CC1)C2 ZINC001167975209 1099362195 /nfs/dbraw/zinc/36/21/95/1099362195.db2.gz MFUAAXBDQYNTBY-KUJXNZTCSA-N 2 3 347.547 2.625 20 0 EFADHP CN(C)CC(C)(C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000073649712 1102409255 /nfs/dbraw/zinc/40/92/55/1102409255.db2.gz SLNSOEZZUXUOQE-UHFFFAOYSA-N 2 3 333.520 2.839 20 0 EFADHP C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000165345603 544847664 /nfs/dbraw/zinc/84/76/64/544847664.db2.gz POQXDCLZNKSESP-AZUAARDMSA-N 2 3 329.532 2.871 20 0 EFADHP CC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC[NH2+]CC1 ZINC000414896300 312059314 /nfs/dbraw/zinc/05/93/14/312059314.db2.gz BKMIMWKJHBUKHB-XUVXKRRUSA-N 2 3 327.516 2.876 20 0 EFADHP C[C@@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000415136618 312101339 /nfs/dbraw/zinc/10/13/39/312101339.db2.gz XKYUIAMXQFMBJM-IEBWSBKVSA-N 2 3 344.547 2.634 20 0 EFADHP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(OCCN(C)C)c1 ZINC000423452892 312420140 /nfs/dbraw/zinc/42/01/40/312420140.db2.gz ZLQPHFJOLXBSFO-UIAACRFSSA-N 2 3 331.504 2.666 20 0 EFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H](N)C3)CC2)cc1 ZINC000567487484 319177386 /nfs/dbraw/zinc/17/73/86/319177386.db2.gz QHWOSAULWPXMTA-RTBURBONSA-N 2 3 331.504 2.767 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000422800309 476780999 /nfs/dbraw/zinc/78/09/99/476780999.db2.gz BEBOHWWIWHNEOC-IOMROCGXSA-N 2 3 345.531 2.760 20 0 EFADHP c1cc(OCC[NH+]2CCCC2)ccc1CNC1CC[NH+](C2CC2)CC1 ZINC000078542481 472731911 /nfs/dbraw/zinc/73/19/11/472731911.db2.gz HZXNEJJBAVSSMN-UHFFFAOYSA-N 2 3 343.515 2.878 20 0 EFADHP CCN1CCN(c2ccccc2C[NH+]2CCC(CC[NH2+]C)CC2)CC1 ZINC000346679890 475759760 /nfs/dbraw/zinc/75/97/60/475759760.db2.gz MJDCJMVDOHGRHD-UHFFFAOYSA-N 2 3 344.547 2.650 20 0 EFADHP Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)CCC[NH3+])CC2)c1 ZINC000422812170 476787866 /nfs/dbraw/zinc/78/78/66/476787866.db2.gz QCPPXYVISVNTJJ-IBGZPJMESA-N 2 3 332.536 2.614 20 0 EFADHP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422895593 476832440 /nfs/dbraw/zinc/83/24/40/476832440.db2.gz WEUUAKAXWUZBCE-XLIONFOSSA-N 2 3 333.520 2.885 20 0 EFADHP C[C@@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)C1CNC1 ZINC000422907543 476841536 /nfs/dbraw/zinc/84/15/36/476841536.db2.gz LODRPCKDZTUZJN-GOSISDBHSA-N 2 3 329.532 2.919 20 0 EFADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422998151 476884477 /nfs/dbraw/zinc/88/44/77/476884477.db2.gz CJYKIUKDEXHSST-DIZVHYTASA-N 2 3 345.531 2.629 20 0 EFADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422998151 476884480 /nfs/dbraw/zinc/88/44/80/476884480.db2.gz CJYKIUKDEXHSST-DIZVHYTASA-N 2 3 345.531 2.629 20 0 EFADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423105455 476928787 /nfs/dbraw/zinc/92/87/87/476928787.db2.gz NKBOTBNMICVSPH-JXFKEZNVSA-N 2 3 331.504 2.637 20 0 EFADHP c1ccc(C[N@H+]2CC[C@@H](NCC3=CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423360542 477004324 /nfs/dbraw/zinc/00/43/24/477004324.db2.gz WCVZEXLWRKVKPF-NJYVYQBISA-N 2 3 325.500 2.939 20 0 EFADHP c1ccc(C[N@@H+]2CC[C@@H](NCC3=CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423360542 477004329 /nfs/dbraw/zinc/00/43/29/477004329.db2.gz WCVZEXLWRKVKPF-NJYVYQBISA-N 2 3 325.500 2.939 20 0 EFADHP COc1ccc([C@H](CN)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000420320420 477690427 /nfs/dbraw/zinc/69/04/27/477690427.db2.gz QEYYHEDFVFEPBJ-LJQANCHMSA-N 2 3 331.504 2.545 20 0 EFADHP Cc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000533101602 478036711 /nfs/dbraw/zinc/03/67/11/478036711.db2.gz QAXVCPWZMZDINO-YALNPMBYSA-N 2 3 346.523 2.574 20 0 EFADHP Cc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000533101602 478036715 /nfs/dbraw/zinc/03/67/15/478036715.db2.gz QAXVCPWZMZDINO-YALNPMBYSA-N 2 3 346.523 2.574 20 0 EFADHP Cc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000533101602 478036722 /nfs/dbraw/zinc/03/67/22/478036722.db2.gz QAXVCPWZMZDINO-YALNPMBYSA-N 2 3 346.523 2.574 20 0 EFADHP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000533101602 478036730 /nfs/dbraw/zinc/03/67/30/478036730.db2.gz QAXVCPWZMZDINO-YALNPMBYSA-N 2 3 346.523 2.574 20 0 EFADHP c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647785917 481104421 /nfs/dbraw/zinc/10/44/21/481104421.db2.gz GEVHJHWQSWJFIH-IVAOSVALSA-N 2 3 327.516 2.529 20 0 EFADHP c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647785924 481104927 /nfs/dbraw/zinc/10/49/27/481104927.db2.gz GEVHJHWQSWJFIH-XRXFAXGQSA-N 2 3 327.516 2.529 20 0 EFADHP c1csc(CN2CCC(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647788394 481106828 /nfs/dbraw/zinc/10/68/28/481106828.db2.gz IQYCGJXZEQBZTB-OKZBNKHCSA-N 2 3 333.545 2.938 20 0 EFADHP CC(C)N(C)C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000647962106 481215733 /nfs/dbraw/zinc/21/57/33/481215733.db2.gz NFJGIPRCXCGOFC-OAQYLSRUSA-N 2 3 347.547 2.532 20 0 EFADHP CC(C)N(C)C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000647962106 481215742 /nfs/dbraw/zinc/21/57/42/481215742.db2.gz NFJGIPRCXCGOFC-OAQYLSRUSA-N 2 3 347.547 2.532 20 0 EFADHP C[C@H]1CC2(C[N@@H+]1Cc1ccc(OCCN(C)C)cc1)CC[NH2+]CC2 ZINC000643973802 481664571 /nfs/dbraw/zinc/66/45/71/481664571.db2.gz YFKVNOCDKGMNHD-KRWDZBQOSA-N 2 3 331.504 2.591 20 0 EFADHP C[C@H]1CC2(C[N@H+]1Cc1ccc(OCCN(C)C)cc1)CC[NH2+]CC2 ZINC000643973802 481664580 /nfs/dbraw/zinc/66/45/80/481664580.db2.gz YFKVNOCDKGMNHD-KRWDZBQOSA-N 2 3 331.504 2.591 20 0 EFADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000663492915 482264044 /nfs/dbraw/zinc/26/40/44/482264044.db2.gz DWCGRRASUWBFDJ-CWJKEVGVSA-N 2 3 329.532 2.904 20 0 EFADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000663492915 482264047 /nfs/dbraw/zinc/26/40/47/482264047.db2.gz DWCGRRASUWBFDJ-CWJKEVGVSA-N 2 3 329.532 2.904 20 0 EFADHP c1cc(N2CCC([NH2+]C[C@H]3CCCN(CC4CC4)C3)CC2)cc[nH+]1 ZINC000668818389 482280239 /nfs/dbraw/zinc/28/02/39/482280239.db2.gz GYNWSERYEPIOCM-GOSISDBHSA-N 2 3 328.504 2.762 20 0 EFADHP CCCN1CCN(c2ccccc2C[NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000435391560 534935305 /nfs/dbraw/zinc/93/53/05/534935305.db2.gz FWGJMXVOFQEVSZ-GOSISDBHSA-N 2 3 344.547 2.778 20 0 EFADHP CN1CCC([N@@H+]2CC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)CC1 ZINC000675875982 548366329 /nfs/dbraw/zinc/36/63/29/548366329.db2.gz XWCRXADLLRAWRX-IBGZPJMESA-N 2 3 348.579 2.542 20 0 EFADHP CN1CCC([N@H+]2CC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)CC1 ZINC000675875982 548366331 /nfs/dbraw/zinc/36/63/31/548366331.db2.gz XWCRXADLLRAWRX-IBGZPJMESA-N 2 3 348.579 2.542 20 0 EFADHP CC[NH+](CC)C1CCC([NH+](CCCN(C)C)CCCN(C)C)CC1 ZINC001173114466 1286416785 /nfs/dbraw/zinc/41/67/85/1286416785.db2.gz LMODICVFVQBVPQ-UHFFFAOYSA-N 2 3 340.600 2.845 20 0 EFADHP CC1(C[N@@H+]2CCCn3cnc(CNC4CCCC4)c3C2)CC[NH2+]CC1 ZINC001235646428 1313366182 /nfs/dbraw/zinc/36/61/82/1313366182.db2.gz OTNBDXSAICATRP-UHFFFAOYSA-N 2 3 345.535 2.511 20 0 EFADHP CC1(C[N@H+]2CCCn3cnc(CNC4CCCC4)c3C2)CC[NH2+]CC1 ZINC001235646428 1313366186 /nfs/dbraw/zinc/36/61/86/1313366186.db2.gz OTNBDXSAICATRP-UHFFFAOYSA-N 2 3 345.535 2.511 20 0 EFADHP [NH3+]CCCCN(Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001236377758 1313474493 /nfs/dbraw/zinc/47/44/93/1313474493.db2.gz KZOZQKBYPJRSJM-UHFFFAOYSA-N 2 3 340.309 2.742 20 0 EFADHP [NH3+]CCCC[N@H+](Cc1ccc(Br)cc1)C1CCNCC1 ZINC001236377758 1313474496 /nfs/dbraw/zinc/47/44/96/1313474496.db2.gz KZOZQKBYPJRSJM-UHFFFAOYSA-N 2 3 340.309 2.742 20 0 EFADHP [NH3+]CCCC[N@@H+](Cc1ccc(Br)cc1)C1CCNCC1 ZINC001236377758 1313474497 /nfs/dbraw/zinc/47/44/97/1313474497.db2.gz KZOZQKBYPJRSJM-UHFFFAOYSA-N 2 3 340.309 2.742 20 0 EFADHP CC(C)(C)C[N@H+](Cc1cccc(N2CC[NH2+]CC2)c1)C1CCNCC1 ZINC001236458625 1313483237 /nfs/dbraw/zinc/48/32/37/1313483237.db2.gz ZSSMZXHKNDLBEU-UHFFFAOYSA-N 2 3 344.547 2.696 20 0 EFADHP CC(C)(C)C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)C1CCNCC1 ZINC001236458625 1313483238 /nfs/dbraw/zinc/48/32/38/1313483238.db2.gz ZSSMZXHKNDLBEU-UHFFFAOYSA-N 2 3 344.547 2.696 20 0 EFADHP COc1ccccc1CN(C[C@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236701310 1313513427 /nfs/dbraw/zinc/51/34/27/1313513427.db2.gz PAMYBRUVQPNPHR-WDSOQIARSA-N 2 3 331.504 2.767 20 0 EFADHP CCCN(Cc1ccc(OCCC[NH+](C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236833415 1313538847 /nfs/dbraw/zinc/53/88/47/1313538847.db2.gz AUDGPOQHMFUWTL-LJQANCHMSA-N 2 3 333.520 2.839 20 0 EFADHP c1ccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)CC23CNC3)cc1 ZINC001222601857 1311158560 /nfs/dbraw/zinc/15/85/60/1311158560.db2.gz BMHYSSOZPSUQPS-NRFANRHFSA-N 2 3 333.479 2.521 20 0 EFADHP c1ccc([C@@H]2C[N@H+](Cc3ccc4c(c3)CC[NH2+]C4)CC23CNC3)cc1 ZINC001222601857 1311158561 /nfs/dbraw/zinc/15/85/61/1311158561.db2.gz BMHYSSOZPSUQPS-NRFANRHFSA-N 2 3 333.479 2.521 20 0 EFADHP C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246178645 1314594108 /nfs/dbraw/zinc/59/41/08/1314594108.db2.gz OIKUKQJCNRXKHJ-ROUUACIJSA-N 2 3 335.536 2.580 20 0 EFADHP c1cncc([C@H]2NCC[C@H]2C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001246338199 1314612797 /nfs/dbraw/zinc/61/27/97/1314612797.db2.gz CTKRFBAACUPVPM-PKOBYXMFSA-N 2 3 328.504 2.634 20 0 EFADHP c1ccc(CC2([NH2+]C3CCC4(CC[NH2+]CC4)CC3)CCNCC2)nc1 ZINC001246372353 1314617661 /nfs/dbraw/zinc/61/76/61/1314617661.db2.gz QYXTXNKEMSDHPC-UHFFFAOYSA-N 2 3 342.531 2.648 20 0 EFADHP COc1cccc(CC2(C[NH2+][C@@H]3C[C@@H](C)N[C@@H](C)C3)CC[NH2+]CC2)c1 ZINC001246381687 1314619294 /nfs/dbraw/zinc/61/92/94/1314619294.db2.gz UCQNCYYOFMQXBV-IZZQQSIFSA-N 2 3 345.531 2.726 20 0 EFADHP CC1(C)C[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246379093 1314619329 /nfs/dbraw/zinc/61/93/29/1314619329.db2.gz LBQOUDBQKKRKBR-SFHVURJKSA-N 2 3 333.495 2.858 20 0 EFADHP CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246383531 1314619882 /nfs/dbraw/zinc/61/98/82/1314619882.db2.gz GROODYGAFPDRFD-MOPGFXCFSA-N 2 3 333.495 2.858 20 0 EFADHP CC[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246383533 1314619911 /nfs/dbraw/zinc/61/99/11/1314619911.db2.gz GROODYGAFPDRFD-RBUKOAKNSA-N 2 3 333.495 2.858 20 0 EFADHP CC(C)[C@@H]1C[C@H](NCC2(c3cccc(F)c3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246385298 1314620431 /nfs/dbraw/zinc/62/04/31/1314620431.db2.gz CTGYFMIEQSXABX-MOPGFXCFSA-N 2 3 333.495 2.813 20 0 EFADHP Clc1ccc(CC2([NH2+][C@H]3CCC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246388761 1314621061 /nfs/dbraw/zinc/62/10/61/1314621061.db2.gz GOUOSBBFMKEQFO-KRWDZBQOSA-N 2 3 333.907 2.736 20 0 EFADHP COc1cccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246389555 1314621236 /nfs/dbraw/zinc/62/12/36/1314621236.db2.gz PPKHIXLGCADZBI-REPLKXPHSA-N 2 3 343.515 2.579 20 0 EFADHP CCCC[C@H]1C[C@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246418121 1314626896 /nfs/dbraw/zinc/62/68/96/1314626896.db2.gz BPFQGHNHZPVQEL-RBUKOAKNSA-N 2 3 344.547 2.894 20 0 EFADHP CCCC[C@H]1C[C@@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246424435 1314627329 /nfs/dbraw/zinc/62/73/29/1314627329.db2.gz VDFIIWICECSXEI-OALUTQOASA-N 2 3 330.520 2.603 20 0 EFADHP Clc1cccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)c1 ZINC001246426642 1314627610 /nfs/dbraw/zinc/62/76/10/1314627610.db2.gz ILSJSSDCSDLQAQ-JWTNVVGKSA-N 2 3 333.907 2.834 20 0 EFADHP CCCC[C@@H]1C[C@@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246429841 1314628442 /nfs/dbraw/zinc/62/84/42/1314628442.db2.gz WNBBGNMLRDUJHV-MSOLQXFVSA-N 2 3 330.520 2.603 20 0 EFADHP C[C@H]1CC([NH2+]CC2(Cc3ccccc3F)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246436035 1314628979 /nfs/dbraw/zinc/62/89/79/1314628979.db2.gz WBLLFVSRRMKFKI-HOTGVXAUSA-N 2 3 333.495 2.857 20 0 EFADHP CC(C)[C@H]1C[C@@H](NCC2(c3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246436021 1314629046 /nfs/dbraw/zinc/62/90/46/1314629046.db2.gz IPVYLTNJDZFULP-QFBILLFUSA-N 2 3 333.495 2.813 20 0 EFADHP c1ccc([C@@H]2C[C@@H](N3CCC(OC4CC[NH2+]CC4)CC3)CC[NH2+]2)cc1 ZINC001246663579 1314666830 /nfs/dbraw/zinc/66/68/30/1314666830.db2.gz OOHNLTRJEITQGC-RXVVDRJESA-N 2 3 343.515 2.713 20 0 EFADHP c1ccc([C@@]23CCNC[C@H]2C[N@H+](C2CCC4(C[NH2+]C4)CC2)CC3)cc1 ZINC001246669839 1314667130 /nfs/dbraw/zinc/66/71/30/1314667130.db2.gz ABPDLITXROMLEE-UGKGYDQZSA-N 2 3 339.527 2.772 20 0 EFADHP c1ccc([C@@]23CCNC[C@H]2C[N@@H+](C2CCC4(C[NH2+]C4)CC2)CC3)cc1 ZINC001246669839 1314667134 /nfs/dbraw/zinc/66/71/34/1314667134.db2.gz ABPDLITXROMLEE-UGKGYDQZSA-N 2 3 339.527 2.772 20 0 EFADHP FC(F)(F)CCCN1CC2(C1)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001276709947 1314668693 /nfs/dbraw/zinc/66/86/93/1314668693.db2.gz QFDDBDSBPMOZTH-UHFFFAOYSA-N 2 3 333.442 2.726 20 0 EFADHP CC(C)[C@H]1C[C@H](N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246910756 1314708108 /nfs/dbraw/zinc/70/81/08/1314708108.db2.gz LFICKHXJNSBQDT-PLACYPQZSA-N 2 3 327.516 2.827 20 0 EFADHP CC(C)[C@H]1C[C@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246910756 1314708110 /nfs/dbraw/zinc/70/81/10/1314708110.db2.gz LFICKHXJNSBQDT-PLACYPQZSA-N 2 3 327.516 2.827 20 0 EFADHP Cc1cc(F)cc(C[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)c1 ZINC001246951668 1314714216 /nfs/dbraw/zinc/71/42/16/1314714216.db2.gz NENXEZUAHBHLHM-IBGZPJMESA-N 2 3 331.479 2.830 20 0 EFADHP Cc1cc(F)cc(C[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)c1 ZINC001246951668 1314714219 /nfs/dbraw/zinc/71/42/19/1314714219.db2.gz NENXEZUAHBHLHM-IBGZPJMESA-N 2 3 331.479 2.830 20 0 EFADHP Cc1ccc(F)cc1C[N@H+]([C@H]1CCC2(C[NH2+]C2)C1)C1CCNCC1 ZINC001246956744 1314714964 /nfs/dbraw/zinc/71/49/64/1314714964.db2.gz ULXGRYZVJVLSOP-IBGZPJMESA-N 2 3 331.479 2.830 20 0 EFADHP Cc1ccc(F)cc1C[N@@H+]([C@H]1CCC2(C[NH2+]C2)C1)C1CCNCC1 ZINC001246956744 1314714967 /nfs/dbraw/zinc/71/49/67/1314714967.db2.gz ULXGRYZVJVLSOP-IBGZPJMESA-N 2 3 331.479 2.830 20 0 EFADHP COc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@@H](C)C2)cc1 ZINC001246962749 1314717374 /nfs/dbraw/zinc/71/73/74/1314717374.db2.gz DHWDLPATJKFCNS-WNHJNPCNSA-N 2 3 331.504 2.908 20 0 EFADHP COc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@@H](C)C2)cc1 ZINC001246962749 1314717378 /nfs/dbraw/zinc/71/73/78/1314717378.db2.gz DHWDLPATJKFCNS-WNHJNPCNSA-N 2 3 331.504 2.908 20 0 EFADHP CC(C)(C)[PH+](CCCNC(=O)[C@@H](N)C1CC[NH2+]CC1)C(C)(C)C ZINC001221271958 1315500524 /nfs/dbraw/zinc/50/05/24/1315500524.db2.gz PIBQYKQFCOLBIY-HNNXBMFYSA-N 2 3 343.496 2.899 20 0 EFADHP CCN(CC)CC[C@H](C)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001255948871 1315884233 /nfs/dbraw/zinc/88/42/33/1315884233.db2.gz QYNLFUMTRSFIFL-SFHVURJKSA-N 2 3 339.568 2.835 20 0 EFADHP CC(C)([NH3+])CCNCCC(C)(C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256566141 1315959668 /nfs/dbraw/zinc/95/96/68/1315959668.db2.gz QIGCYLDCHLOOCK-UHFFFAOYSA-N 2 3 326.573 2.725 20 0 EFADHP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687901 1315982202 /nfs/dbraw/zinc/98/22/02/1315982202.db2.gz KIODITHVEJZTDW-OFVLBHHSSA-N 2 3 337.552 2.872 20 0 EFADHP FC1CCN(C2CC[NH+](C3CCN(c4cc[nH+]cc4)CC3)CC2)CC1 ZINC001256860997 1316000691 /nfs/dbraw/zinc/00/06/91/1316000691.db2.gz KEIGXZZSLJOHHO-UHFFFAOYSA-N 2 3 346.494 2.949 20 0 EFADHP CC[NH+](CC)CCC[C@H](C)N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001258904762 1316190813 /nfs/dbraw/zinc/19/08/13/1316190813.db2.gz KKZCSVWLLSURJA-SFHVURJKSA-N 2 3 332.536 2.928 20 0 EFADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551378696 1414049288 /nfs/dbraw/zinc/04/92/88/1414049288.db2.gz BKJLQTMSTVVVHW-FVWXCPNNSA-N 2 3 346.519 2.533 20 0 EFADHP C[C@@H]1CN(CCC2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C[C@@H](C)O1 ZINC001552973464 1414627527 /nfs/dbraw/zinc/62/75/27/1414627527.db2.gz IDCAMTRKHARMGK-LVNQGSGBSA-N 2 3 349.563 2.728 20 0 EFADHP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC001553292739 1414763263 /nfs/dbraw/zinc/76/32/63/1414763263.db2.gz PPPOAQXVRJNGJV-DFRGPYRISA-N 2 3 339.527 2.731 20 0 EFADHP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC001553292739 1414763267 /nfs/dbraw/zinc/76/32/67/1414763267.db2.gz PPPOAQXVRJNGJV-DFRGPYRISA-N 2 3 339.527 2.731 20 0 EFADHP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1ccc2c(c1)C[NH2+]CC2 ZINC000904475015 1107965388 /nfs/dbraw/zinc/96/53/88/1107965388.db2.gz XKJZXOIHDKYUSO-IFMALSPDSA-N 2 3 349.478 2.678 20 0 EFADHP CC[NH2+]CC1CC[NH+](Cc2ccccc2N2CCN(CC)CC2)CC1 ZINC000347234638 285586316 /nfs/dbraw/zinc/58/63/16/285586316.db2.gz ZTQVLHYUNJLRGD-UHFFFAOYSA-N 2 3 344.547 2.650 20 0 EFADHP C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000165345500 544847069 /nfs/dbraw/zinc/84/70/69/544847069.db2.gz POQXDCLZNKSESP-QUCCMNQESA-N 2 3 329.532 2.871 20 0 EFADHP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000272569169 266311532 /nfs/dbraw/zinc/31/15/32/266311532.db2.gz OSNJXHPVOOEOFG-PCCBWWKXSA-N 2 3 325.500 2.749 20 0 EFADHP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000272569169 266311534 /nfs/dbraw/zinc/31/15/34/266311534.db2.gz OSNJXHPVOOEOFG-PCCBWWKXSA-N 2 3 325.500 2.749 20 0 EFADHP CN(C)CC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000423040557 282075454 /nfs/dbraw/zinc/07/54/54/282075454.db2.gz UPZGVJQUKQKZPU-NQIIRXRSSA-N 2 3 343.515 2.954 20 0 EFADHP CN(c1ccccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000414842093 312057127 /nfs/dbraw/zinc/05/71/27/312057127.db2.gz OWNVGTKSLDIMEL-SFHVURJKSA-N 2 3 344.547 2.696 20 0 EFADHP COCC1(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC[NH2+]CC1 ZINC000414982416 312070837 /nfs/dbraw/zinc/07/08/37/312070837.db2.gz YBBNLIWJNLSYEJ-HKUYNNGSSA-N 2 3 337.552 2.635 20 0 EFADHP COCC1(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CC[NH2+]CC1 ZINC000414982416 312070839 /nfs/dbraw/zinc/07/08/39/312070839.db2.gz YBBNLIWJNLSYEJ-HKUYNNGSSA-N 2 3 337.552 2.635 20 0 EFADHP c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+][C@@H]4C[C@H]4C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000415005170 312076002 /nfs/dbraw/zinc/07/60/02/312076002.db2.gz IRWGQMXBFYOHOK-VNXMGFANSA-N 2 3 339.527 2.875 20 0 EFADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(OCCN(C)C)cc1 ZINC000423538933 312431561 /nfs/dbraw/zinc/43/15/61/312431561.db2.gz HHMBMHPOJLDJIP-WZGPROSRSA-N 2 3 331.504 2.666 20 0 EFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H](N)C3)CC2)cc1 ZINC000567487483 319177551 /nfs/dbraw/zinc/17/75/51/319177551.db2.gz QHWOSAULWPXMTA-RBUKOAKNSA-N 2 3 331.504 2.767 20 0 EFADHP C[C@@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000422858543 476813195 /nfs/dbraw/zinc/81/31/95/476813195.db2.gz IYYGTXXGFWSFOB-DEPWHIHDSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000422858543 476813199 /nfs/dbraw/zinc/81/31/99/476813199.db2.gz IYYGTXXGFWSFOB-DEPWHIHDSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000422914551 476843798 /nfs/dbraw/zinc/84/37/98/476843798.db2.gz URYMAOIBCQMHAA-XWSJACJDSA-N 2 3 325.541 2.776 20 0 EFADHP c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)ccn1 ZINC000422992391 476883366 /nfs/dbraw/zinc/88/33/66/476883366.db2.gz PYGYHUTUFRIRHM-XUVXKRRUSA-N 2 3 328.504 2.808 20 0 EFADHP C[C@H]([NH3+])C[C@H](C)NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000423016399 476893458 /nfs/dbraw/zinc/89/34/58/476893458.db2.gz MPZPPETXAQJYBX-YRXWBPOGSA-N 2 3 347.547 2.911 20 0 EFADHP C[C@H](N)C[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000423016399 476893463 /nfs/dbraw/zinc/89/34/63/476893463.db2.gz MPZPPETXAQJYBX-YRXWBPOGSA-N 2 3 347.547 2.911 20 0 EFADHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000518397172 478165372 /nfs/dbraw/zinc/16/53/72/478165372.db2.gz PRHPBESHLGSDNQ-QZTJIDSGSA-N 2 3 349.519 2.775 20 0 EFADHP [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@@H]21 ZINC000647511526 480971556 /nfs/dbraw/zinc/97/15/56/480971556.db2.gz XYPUIYMWFQWSKS-SESVDKBCSA-N 2 3 343.515 2.720 20 0 EFADHP CN1CCC(Oc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000647796692 481111073 /nfs/dbraw/zinc/11/10/73/481111073.db2.gz KKCSEFSHWOUMEG-GBESFXJTSA-N 2 3 343.515 2.637 20 0 EFADHP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000414660562 534935722 /nfs/dbraw/zinc/93/57/22/534935722.db2.gz OOMKNPDVMQPUMD-RTBURBONSA-N 2 3 344.547 2.778 20 0 EFADHP CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414847131 534937335 /nfs/dbraw/zinc/93/73/35/534937335.db2.gz VGXWQHGNTPTIOE-IBGZPJMESA-N 2 3 344.547 2.698 20 0 EFADHP CN(c1ccccc1CN[C@H]1CCC[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000414929299 546194201 /nfs/dbraw/zinc/19/42/01/546194201.db2.gz RGLLVPZQBKAJGG-ROUUACIJSA-N 2 3 330.520 2.577 20 0 EFADHP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685470509 550155853 /nfs/dbraw/zinc/15/58/53/550155853.db2.gz ZXOLEPKSNWONBL-NQIIRXRSSA-N 2 3 345.531 2.933 20 0 EFADHP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685470509 550155855 /nfs/dbraw/zinc/15/58/55/550155855.db2.gz ZXOLEPKSNWONBL-NQIIRXRSSA-N 2 3 345.531 2.933 20 0 EFADHP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CC1 ZINC001173106246 1286413967 /nfs/dbraw/zinc/41/39/67/1286413967.db2.gz KIODITHVEJZTDW-ZQTWVHHBSA-N 2 3 337.552 2.872 20 0 EFADHP CN1CC2(C1)CC[NH+](Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204270041 1313112759 /nfs/dbraw/zinc/11/27/59/1313112759.db2.gz OCVJIKZYQFFADM-UHFFFAOYSA-N 2 3 331.504 2.545 20 0 EFADHP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001276453373 1313120512 /nfs/dbraw/zinc/12/05/12/1313120512.db2.gz ICDGVUIJMOZFNM-KDURUIRLSA-N 2 3 344.547 2.890 20 0 EFADHP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001276453373 1313120516 /nfs/dbraw/zinc/12/05/16/1313120516.db2.gz ICDGVUIJMOZFNM-KDURUIRLSA-N 2 3 344.547 2.890 20 0 EFADHP c1ccc([C@]23CCNC[C@@H]2C[N@H+](CC[C@H]2CCC[NH2+]C2)CC3)cc1 ZINC001235369730 1313304385 /nfs/dbraw/zinc/30/43/85/1313304385.db2.gz YZLWCBDSGSLDJF-HMXCVIKNSA-N 2 3 327.516 2.629 20 0 EFADHP c1ccc([C@]23CCNC[C@@H]2C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC3)cc1 ZINC001235369730 1313304387 /nfs/dbraw/zinc/30/43/87/1313304387.db2.gz YZLWCBDSGSLDJF-HMXCVIKNSA-N 2 3 327.516 2.629 20 0 EFADHP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)CC2(F)CC[NH2+]CC2)CC1 ZINC001236534488 1313489611 /nfs/dbraw/zinc/48/96/11/1313489611.db2.gz VHFRVOGZFQWZLD-QAQDUYKDSA-N 2 3 337.458 2.989 20 0 EFADHP C[NH+]1CCC(CCN2CCC3(CC2)[NH2+]CCc2ccccc23)CC1 ZINC001237277269 1313616097 /nfs/dbraw/zinc/61/60/97/1313616097.db2.gz YMFCVFIYCQVMEQ-UHFFFAOYSA-N 2 3 327.516 2.855 20 0 EFADHP CC(C)C1=NCCc2ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc21 ZINC001237881958 1313726016 /nfs/dbraw/zinc/72/60/16/1313726016.db2.gz NFXXBAZFYUFPIO-UHFFFAOYSA-N 2 3 344.547 2.613 20 0 EFADHP CC1(C)C[C@@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H]([NH3+])C1 ZINC000902502952 1311808794 /nfs/dbraw/zinc/80/87/94/1311808794.db2.gz WICLTHSDNSAQNY-RPWFAHAXSA-N 2 3 329.488 2.738 20 0 EFADHP CC1(C)C[C@@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H]([NH3+])C1 ZINC000902502950 1311808823 /nfs/dbraw/zinc/80/88/23/1311808823.db2.gz WICLTHSDNSAQNY-DOHHPOSVSA-N 2 3 329.488 2.738 20 0 EFADHP Fc1ccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)cc1 ZINC001246211985 1314597875 /nfs/dbraw/zinc/59/78/75/1314597875.db2.gz OQFLIMCYOYTQAD-REPLKXPHSA-N 2 3 331.479 2.710 20 0 EFADHP Fc1ccc(C2(N[C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246337768 1314612989 /nfs/dbraw/zinc/61/29/89/1314612989.db2.gz VKPAQGKAUCERAD-RTBURBONSA-N 2 3 331.479 2.916 20 0 EFADHP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3Cl)CC[NH2+]CC2)CCN1 ZINC001246372577 1314617175 /nfs/dbraw/zinc/61/71/75/1314617175.db2.gz SUZHUHCIXLRVHP-NVXWUHKLSA-N 2 3 335.923 2.982 20 0 EFADHP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3Cl)CC[NH2+]CC2)CCN1 ZINC001246372580 1314617183 /nfs/dbraw/zinc/61/71/83/1314617183.db2.gz SUZHUHCIXLRVHP-RDJZCZTQSA-N 2 3 335.923 2.982 20 0 EFADHP COc1cccc(CC2(C[NH2+]C3C[C@@H](C)N[C@H](C)C3)CC[NH2+]CC2)c1 ZINC001246381685 1314619228 /nfs/dbraw/zinc/61/92/28/1314619228.db2.gz UCQNCYYOFMQXBV-IAGOWNOFSA-N 2 3 345.531 2.726 20 0 EFADHP C[C@@H]1CC([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)C[C@@H](C)N1 ZINC001246388565 1314620875 /nfs/dbraw/zinc/62/08/75/1314620875.db2.gz YVUPABAQPBPOLK-HZPDHXFCSA-N 2 3 333.495 2.857 20 0 EFADHP Fc1cccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246398424 1314623436 /nfs/dbraw/zinc/62/34/36/1314623436.db2.gz WXBZSORLOAEMMB-BWTSREIZSA-N 2 3 331.479 2.710 20 0 EFADHP c1ccc(C2(CN[C@H]3CC[NH2+]C4(CCCCC4)C3)CC[NH2+]CC2)nc1 ZINC001246428017 1314627313 /nfs/dbraw/zinc/62/73/13/1314627313.db2.gz OGGJCHMCIOSNKR-SFHVURJKSA-N 2 3 342.531 2.747 20 0 EFADHP CCCC[C@H]1C[C@@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246429846 1314628492 /nfs/dbraw/zinc/62/84/92/1314628492.db2.gz WNBBGNMLRDUJHV-ROUUACIJSA-N 2 3 330.520 2.603 20 0 EFADHP C[C@@H](Cc1cccc(Br)c1)NCCC[NH2+]CCCC[NH3+] ZINC001246454962 1314630469 /nfs/dbraw/zinc/63/04/69/1314630469.db2.gz BVJHRDXZNMRHRC-AWEZNQCLSA-N 2 3 342.325 2.688 20 0 EFADHP C[C@H](Cc1ccc(Br)cc1)NCCC[NH2+]CCCC[NH3+] ZINC001246457113 1314631793 /nfs/dbraw/zinc/63/17/93/1314631793.db2.gz NAZSBSIRQCQTND-CQSZACIVSA-N 2 3 342.325 2.688 20 0 EFADHP c1ccc([C@]23CCNC[C@@H]2C[N@H+](C2CCC4(C[NH2+]C4)CC2)CC3)cc1 ZINC001246669831 1314667571 /nfs/dbraw/zinc/66/75/71/1314667571.db2.gz ABPDLITXROMLEE-DENIHFKCSA-N 2 3 339.527 2.772 20 0 EFADHP c1ccc([C@]23CCNC[C@@H]2C[N@@H+](C2CCC4(C[NH2+]C4)CC2)CC3)cc1 ZINC001246669831 1314667574 /nfs/dbraw/zinc/66/75/74/1314667574.db2.gz ABPDLITXROMLEE-DENIHFKCSA-N 2 3 339.527 2.772 20 0 EFADHP CC(C)[C@@H]1C[C@H](N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246805909 1314686364 /nfs/dbraw/zinc/68/63/64/1314686364.db2.gz LFICKHXJNSBQDT-MHTWAQMVSA-N 2 3 327.516 2.827 20 0 EFADHP CC(C)[C@@H]1C[C@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246805909 1314686369 /nfs/dbraw/zinc/68/63/69/1314686369.db2.gz LFICKHXJNSBQDT-MHTWAQMVSA-N 2 3 327.516 2.827 20 0 EFADHP c1ccc2c(c1)CN([C@H]1CC[NH2+]C3(CCC3)C1)CC21CC[NH2+]CC1 ZINC001246858625 1314697761 /nfs/dbraw/zinc/69/77/61/1314697761.db2.gz FVPXLBJSDHRIPB-SFHVURJKSA-N 2 3 325.500 2.798 20 0 EFADHP c1ccc2c(c1)C[N@@H+]([C@H]1CCNC3(CCC3)C1)CC21CC[NH2+]CC1 ZINC001246858625 1314697768 /nfs/dbraw/zinc/69/77/68/1314697768.db2.gz FVPXLBJSDHRIPB-SFHVURJKSA-N 2 3 325.500 2.798 20 0 EFADHP c1ccc2c(c1)C[N@H+]([C@H]1CCNC3(CCC3)C1)CC21CC[NH2+]CC1 ZINC001246858625 1314697773 /nfs/dbraw/zinc/69/77/73/1314697773.db2.gz FVPXLBJSDHRIPB-SFHVURJKSA-N 2 3 325.500 2.798 20 0 EFADHP Cc1cc(F)cc(C[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)c1 ZINC001246951672 1314714318 /nfs/dbraw/zinc/71/43/18/1314714318.db2.gz NENXEZUAHBHLHM-LJQANCHMSA-N 2 3 331.479 2.830 20 0 EFADHP Cc1cc(F)cc(C[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)c1 ZINC001246951672 1314714321 /nfs/dbraw/zinc/71/43/21/1314714321.db2.gz NENXEZUAHBHLHM-LJQANCHMSA-N 2 3 331.479 2.830 20 0 EFADHP Fc1ccc(CN([C@H]2CCC3(C[NH2+]C3)C2)C2CC[NH2+]CC2)cc1F ZINC001246959566 1314715439 /nfs/dbraw/zinc/71/54/39/1314715439.db2.gz WFAWZTICMMKWLZ-INIZCTEOSA-N 2 3 335.442 2.661 20 0 EFADHP Fc1ccc(C[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)cc1F ZINC001246959566 1314715445 /nfs/dbraw/zinc/71/54/45/1314715445.db2.gz WFAWZTICMMKWLZ-INIZCTEOSA-N 2 3 335.442 2.661 20 0 EFADHP Fc1ccc(C[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)cc1F ZINC001246959566 1314715449 /nfs/dbraw/zinc/71/54/49/1314715449.db2.gz WFAWZTICMMKWLZ-INIZCTEOSA-N 2 3 335.442 2.661 20 0 EFADHP Fc1ccc(CN([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CC[NH2+]CC2)cc1F ZINC001246959243 1314715590 /nfs/dbraw/zinc/71/55/90/1314715590.db2.gz VVCPQWDUDHCZKN-SCAQPMJSSA-N 2 3 335.442 2.517 20 0 EFADHP Fc1ccc(C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)cc1F ZINC001246959243 1314715594 /nfs/dbraw/zinc/71/55/94/1314715594.db2.gz VVCPQWDUDHCZKN-SCAQPMJSSA-N 2 3 335.442 2.517 20 0 EFADHP Fc1ccc(C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)cc1F ZINC001246959243 1314715596 /nfs/dbraw/zinc/71/55/96/1314715596.db2.gz VVCPQWDUDHCZKN-SCAQPMJSSA-N 2 3 335.442 2.517 20 0 EFADHP CC(C)(C)[PH+](CCCNC(=O)[C@H](N)C1CC[NH2+]CC1)C(C)(C)C ZINC001221271959 1315501010 /nfs/dbraw/zinc/50/10/10/1315501010.db2.gz PIBQYKQFCOLBIY-OAHLLOKOSA-N 2 3 343.496 2.899 20 0 EFADHP [NH3+]CC1(c2ccccc2)CC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC001550943483 1413814085 /nfs/dbraw/zinc/81/40/85/1413814085.db2.gz GDKZHUGGHXPZPQ-OMYXNUHHSA-N 2 3 327.516 2.803 20 0 EFADHP [NH3+]CC1(c2ccccc2)CC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC001550943482 1413814180 /nfs/dbraw/zinc/81/41/80/1413814180.db2.gz GDKZHUGGHXPZPQ-JWFWCLOMSA-N 2 3 327.516 2.803 20 0 EFADHP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1ccc2c(c1)C[NH2+]CC2 ZINC000904475016 1107965177 /nfs/dbraw/zinc/96/51/77/1107965177.db2.gz XKJZXOIHDKYUSO-IRLDBZIGSA-N 2 3 349.478 2.678 20 0 EFADHP C[NH+](C)CCOc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422741128 282110524 /nfs/dbraw/zinc/11/05/24/282110524.db2.gz OCSRLVFNXFHACX-NJYVYQBISA-N 2 3 345.531 2.680 20 0 EFADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000414848753 244368618 /nfs/dbraw/zinc/36/86/18/244368618.db2.gz XENBHDZDCBQJHL-VMXMFDLUSA-N 2 3 327.516 2.876 20 0 EFADHP c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)ccn1 ZINC000422992387 246537014 /nfs/dbraw/zinc/53/70/14/246537014.db2.gz PYGYHUTUFRIRHM-HSALFYBXSA-N 2 3 328.504 2.808 20 0 EFADHP C[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000344657353 142056722 /nfs/dbraw/zinc/05/67/22/142056722.db2.gz BFYKPYDWZKUPMC-PKOBYXMFSA-N 2 3 344.547 2.789 20 0 EFADHP CN(C)CCOc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000092380955 544545088 /nfs/dbraw/zinc/54/50/88/544545088.db2.gz AAWDGGSHIZGLTF-UHFFFAOYSA-N 2 3 333.520 2.791 20 0 EFADHP CCN1CCN(c2ccccc2C[N@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000093089151 279375053 /nfs/dbraw/zinc/37/50/53/279375053.db2.gz XMRMACZAISAMIB-UHFFFAOYSA-N 2 3 344.547 2.602 20 0 EFADHP CCN1CCN(c2ccccc2C[N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000093089151 279375054 /nfs/dbraw/zinc/37/50/54/279375054.db2.gz XMRMACZAISAMIB-UHFFFAOYSA-N 2 3 344.547 2.602 20 0 EFADHP CC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC[NH2+]CC1 ZINC000414896299 312059159 /nfs/dbraw/zinc/05/91/59/312059159.db2.gz BKMIMWKJHBUKHB-VAMGGRTRSA-N 2 3 327.516 2.876 20 0 EFADHP c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000578518525 320213910 /nfs/dbraw/zinc/21/39/10/320213910.db2.gz OGLKTOGDGLZIJD-PWRODBHTSA-N 2 3 327.516 2.876 20 0 EFADHP c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000578518524 320214008 /nfs/dbraw/zinc/21/40/08/320214008.db2.gz OGLKTOGDGLZIJD-PCCBWWKXSA-N 2 3 327.516 2.876 20 0 EFADHP C[NH+](C)CCOc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422741126 476754058 /nfs/dbraw/zinc/75/40/58/476754058.db2.gz OCSRLVFNXFHACX-HBMCJLEFSA-N 2 3 345.531 2.680 20 0 EFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCNCC[C@H]3C)CC2)cc1 ZINC000422775500 476770935 /nfs/dbraw/zinc/77/09/35/476770935.db2.gz ANYNXCCBXGEYJK-UTKZUKDTSA-N 2 3 345.531 2.885 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422787909 476774337 /nfs/dbraw/zinc/77/43/37/476774337.db2.gz MJKXDGLSCHVKKR-PWIZWCRZSA-N 2 3 331.504 2.514 20 0 EFADHP C[C@@H]1CC[NH2+]C[C@@H]1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422821464 476795897 /nfs/dbraw/zinc/79/58/97/476795897.db2.gz WJOPNORHMQPPMN-NQIIRXRSSA-N 2 3 345.531 2.645 20 0 EFADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000422915598 476844915 /nfs/dbraw/zinc/84/49/15/476844915.db2.gz YRYDXUSGQLGRLE-UJMXGEILSA-N 2 3 337.552 2.776 20 0 EFADHP c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)ccn1 ZINC000422992390 476882739 /nfs/dbraw/zinc/88/27/39/476882739.db2.gz PYGYHUTUFRIRHM-VAMGGRTRSA-N 2 3 328.504 2.808 20 0 EFADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000423010895 476890997 /nfs/dbraw/zinc/89/09/97/476890997.db2.gz ADZJRSBSCPRGRI-FPOVZHCZSA-N 2 3 345.531 2.811 20 0 EFADHP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000423137767 476942092 /nfs/dbraw/zinc/94/20/92/476942092.db2.gz RLUIYWBQXZJVHQ-ICSRJNTNSA-N 2 3 345.531 2.632 20 0 EFADHP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000423137769 476943101 /nfs/dbraw/zinc/94/31/01/476943101.db2.gz RLUIYWBQXZJVHQ-UYAOXDASSA-N 2 3 345.531 2.632 20 0 EFADHP c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CC4=CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423331147 476998198 /nfs/dbraw/zinc/99/81/98/476998198.db2.gz CKNIAVPFHSOKNX-PCCBWWKXSA-N 2 3 325.500 2.796 20 0 EFADHP c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423534925 477066554 /nfs/dbraw/zinc/06/65/54/477066554.db2.gz BODWTCXIIXWHDU-PCCBWWKXSA-N 2 3 325.500 2.796 20 0 EFADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(OCCN(C)C)cc1 ZINC000423538932 477067853 /nfs/dbraw/zinc/06/78/53/477067853.db2.gz HHMBMHPOJLDJIP-JCHJZTRSSA-N 2 3 331.504 2.666 20 0 EFADHP c1csc(CN2CCC(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647788393 481106722 /nfs/dbraw/zinc/10/67/22/481106722.db2.gz IQYCGJXZEQBZTB-KZNAEPCWSA-N 2 3 333.545 2.938 20 0 EFADHP c1cc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)ccn1 ZINC000665240580 481739877 /nfs/dbraw/zinc/73/98/77/481739877.db2.gz NXAHGFCRJJDFNZ-NJDAHSKKSA-N 2 3 342.531 2.804 20 0 EFADHP CCCN1CCN(c2ccccc2C[NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000414847134 534937423 /nfs/dbraw/zinc/93/74/23/534937423.db2.gz VGXWQHGNTPTIOE-LJQANCHMSA-N 2 3 344.547 2.698 20 0 EFADHP CN(C)CCOc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000683706106 549933629 /nfs/dbraw/zinc/93/36/29/549933629.db2.gz BXBHMGVHPINHPQ-UHFFFAOYSA-N 2 3 331.504 2.591 20 0 EFADHP C[NH+](C)CCOc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000685470640 550155578 /nfs/dbraw/zinc/15/55/78/550155578.db2.gz ABWVAEJFXQQPEW-AZUAARDMSA-N 2 3 331.504 2.543 20 0 EFADHP C[NH+](C)CCOc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000685470640 550155580 /nfs/dbraw/zinc/15/55/80/550155580.db2.gz ABWVAEJFXQQPEW-AZUAARDMSA-N 2 3 331.504 2.543 20 0 EFADHP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685470508 550156014 /nfs/dbraw/zinc/15/60/14/550156014.db2.gz ZXOLEPKSNWONBL-GHTZIAJQSA-N 2 3 345.531 2.933 20 0 EFADHP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685470508 550156015 /nfs/dbraw/zinc/15/60/15/550156015.db2.gz ZXOLEPKSNWONBL-GHTZIAJQSA-N 2 3 345.531 2.933 20 0 EFADHP [NH3+]CCc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817948807 1276390973 /nfs/dbraw/zinc/39/09/73/1276390973.db2.gz LPNQNFWIWCFDDG-CTNGQTDRSA-N 2 3 337.467 2.533 20 0 EFADHP [NH3+]C12CC(CC[N@@H+]3CC[C@@]4(c5ccccc5)CCNC[C@@H]4C3)(C1)C2 ZINC001235360644 1313300658 /nfs/dbraw/zinc/30/06/58/1313300658.db2.gz ACHZODLLJPDEMX-WCHWRFHJSA-N 2 3 325.500 2.511 20 0 EFADHP [NH3+]C12CC(CC[N@H+]3CC[C@@]4(c5ccccc5)CCNC[C@@H]4C3)(C1)C2 ZINC001235360644 1313300662 /nfs/dbraw/zinc/30/06/62/1313300662.db2.gz ACHZODLLJPDEMX-WCHWRFHJSA-N 2 3 325.500 2.511 20 0 EFADHP [NH3+]C12CC(CC[N@@H+]3CC[C@]4(c5ccccc5)CCNC[C@H]4C3)(C1)C2 ZINC001235360637 1313301372 /nfs/dbraw/zinc/30/13/72/1313301372.db2.gz ACHZODLLJPDEMX-HAMDTZRPSA-N 2 3 325.500 2.511 20 0 EFADHP [NH3+]C12CC(CC[N@H+]3CC[C@]4(c5ccccc5)CCNC[C@H]4C3)(C1)C2 ZINC001235360637 1313301375 /nfs/dbraw/zinc/30/13/75/1313301375.db2.gz ACHZODLLJPDEMX-HAMDTZRPSA-N 2 3 325.500 2.511 20 0 EFADHP c1coc(C[N@H+]2C[C@@H]3C[C@@H](CN(CC4CC5(C4)CC[NH2+]CC5)C3)C2)c1 ZINC001235610884 1313359743 /nfs/dbraw/zinc/35/97/43/1313359743.db2.gz FKVWNKLAMMUVHG-HDICACEKSA-N 2 3 343.515 2.813 20 0 EFADHP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](CN(CC4CC5(C4)CC[NH2+]CC5)C3)C2)c1 ZINC001235610884 1313359747 /nfs/dbraw/zinc/35/97/47/1313359747.db2.gz FKVWNKLAMMUVHG-HDICACEKSA-N 2 3 343.515 2.813 20 0 EFADHP CCC[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C1CCNCC1 ZINC001236185093 1313453381 /nfs/dbraw/zinc/45/33/81/1313453381.db2.gz WFRPGGCDNDCWCB-UHFFFAOYSA-N 2 3 326.488 2.709 20 0 EFADHP CCC[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C1CCNCC1 ZINC001236185093 1313453383 /nfs/dbraw/zinc/45/33/83/1313453383.db2.gz WFRPGGCDNDCWCB-UHFFFAOYSA-N 2 3 326.488 2.709 20 0 EFADHP COc1ccc(C[N@H+](CC2(C)CC[NH2+]CC2)C2CCNCC2)cc1F ZINC001236518029 1313487951 /nfs/dbraw/zinc/48/79/51/1313487951.db2.gz XCWOWMQNSOUTMI-UHFFFAOYSA-N 2 3 349.494 2.778 20 0 EFADHP COc1ccc(C[N@@H+](CC2(C)CC[NH2+]CC2)C2CCNCC2)cc1F ZINC001236518029 1313487954 /nfs/dbraw/zinc/48/79/54/1313487954.db2.gz XCWOWMQNSOUTMI-UHFFFAOYSA-N 2 3 349.494 2.778 20 0 EFADHP CN1CCC[C@@H](C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)C1 ZINC001208618352 1313981536 /nfs/dbraw/zinc/98/15/36/1313981536.db2.gz XKLPFRXZKLJOQH-HXUWFJFHSA-N 2 3 327.516 2.926 20 0 EFADHP C[C@@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@H](C)O1 ZINC000903120216 1312374701 /nfs/dbraw/zinc/37/47/01/1312374701.db2.gz MFNJZZLMZAWPJI-SEJJLSGZSA-N 2 3 335.536 2.623 20 0 EFADHP C[C@@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H](C)O1 ZINC000903120216 1312374704 /nfs/dbraw/zinc/37/47/04/1312374704.db2.gz MFNJZZLMZAWPJI-SEJJLSGZSA-N 2 3 335.536 2.623 20 0 EFADHP CN(C)C1(CNc2ccc([C@H]3CC[N@H+](C)C3)cc2)CC[NH+](C)CC1 ZINC001164215942 1312470556 /nfs/dbraw/zinc/47/05/56/1312470556.db2.gz PILNLHBBANEOLW-SFHVURJKSA-N 2 3 330.520 2.544 20 0 EFADHP CN(C)C1(CNc2ccc([C@H]3CC[N@@H+](C)C3)cc2)CC[NH+](C)CC1 ZINC001164215942 1312470559 /nfs/dbraw/zinc/47/05/59/1312470559.db2.gz PILNLHBBANEOLW-SFHVURJKSA-N 2 3 330.520 2.544 20 0 EFADHP C[NH+]1CCC(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001276696623 1314464920 /nfs/dbraw/zinc/46/49/20/1314464920.db2.gz SEZZXHYNMNAIKD-KDURUIRLSA-N 2 3 330.520 2.500 20 0 EFADHP C[NH+]1CCC(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001276696623 1314464924 /nfs/dbraw/zinc/46/49/24/1314464924.db2.gz SEZZXHYNMNAIKD-KDURUIRLSA-N 2 3 330.520 2.500 20 0 EFADHP Fc1ccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)cc1 ZINC001246211982 1314597978 /nfs/dbraw/zinc/59/79/78/1314597978.db2.gz OQFLIMCYOYTQAD-BWTSREIZSA-N 2 3 331.479 2.710 20 0 EFADHP c1cncc([C@H]2NCC[C@@H]2C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001246338196 1314612695 /nfs/dbraw/zinc/61/26/95/1314612695.db2.gz CTKRFBAACUPVPM-IEBWSBKVSA-N 2 3 328.504 2.634 20 0 EFADHP COc1ccccc1C1([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246373562 1314617971 /nfs/dbraw/zinc/61/79/71/1314617971.db2.gz AEARXHHGHXVVLE-XLIONFOSSA-N 2 3 343.515 2.786 20 0 EFADHP C[C@@H]1CC([NH2+]CC2(Cc3cccc(F)c3)CC[NH2+]CC2)C[C@@H](C)N1 ZINC001246377544 1314618518 /nfs/dbraw/zinc/61/85/18/1314618518.db2.gz GHZOEMGSMWLMGP-HZPDHXFCSA-N 2 3 333.495 2.857 20 0 EFADHP CC1(C)C[C@H]([NH2+]CC2(Cc3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246379092 1314619460 /nfs/dbraw/zinc/61/94/60/1314619460.db2.gz LBQOUDBQKKRKBR-GOSISDBHSA-N 2 3 333.495 2.858 20 0 EFADHP Fc1cccc(C2(C[NH2+][C@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246398990 1314623458 /nfs/dbraw/zinc/62/34/58/1314623458.db2.gz ZDSKSHBCBSMBHM-SFHVURJKSA-N 2 3 331.479 2.711 20 0 EFADHP CCCC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246418119 1314627141 /nfs/dbraw/zinc/62/71/41/1314627141.db2.gz BPFQGHNHZPVQEL-OALUTQOASA-N 2 3 344.547 2.894 20 0 EFADHP COc1cccc(C2(N[C@H]3CCC[C@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)c1 ZINC001246413934 1314627174 /nfs/dbraw/zinc/62/71/74/1314627174.db2.gz GVBJVPPNHGKYMG-ICSRJNTNSA-N 2 3 343.515 2.786 20 0 EFADHP Cc1ccc(C[NH+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@@H]3C2)cc1 ZINC001246712274 1314674634 /nfs/dbraw/zinc/67/46/34/1314674634.db2.gz ZFXGQIDLELKPJP-JKIHBJOUSA-N 2 3 325.500 2.642 20 0 EFADHP c1ccc2c(c1)CN([C@@H]1CC[NH2+]C3(CCC3)C1)CC21CC[NH2+]CC1 ZINC001246858623 1314697409 /nfs/dbraw/zinc/69/74/09/1314697409.db2.gz FVPXLBJSDHRIPB-GOSISDBHSA-N 2 3 325.500 2.798 20 0 EFADHP c1ccc2c(c1)C[N@@H+]([C@@H]1CCNC3(CCC3)C1)CC21CC[NH2+]CC1 ZINC001246858623 1314697411 /nfs/dbraw/zinc/69/74/11/1314697411.db2.gz FVPXLBJSDHRIPB-GOSISDBHSA-N 2 3 325.500 2.798 20 0 EFADHP c1ccc2c(c1)C[N@H+]([C@@H]1CCNC3(CCC3)C1)CC21CC[NH2+]CC1 ZINC001246858623 1314697414 /nfs/dbraw/zinc/69/74/14/1314697414.db2.gz FVPXLBJSDHRIPB-GOSISDBHSA-N 2 3 325.500 2.798 20 0 EFADHP c1ccc2c(c1)CN([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC21CC[NH2+]CC1 ZINC001246864543 1314698359 /nfs/dbraw/zinc/69/83/59/1314698359.db2.gz WAAZATAYOXINOK-BWTSREIZSA-N 2 3 325.500 2.797 20 0 EFADHP c1ccc2c(c1)C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3)CC21CC[NH2+]CC1 ZINC001246864543 1314698362 /nfs/dbraw/zinc/69/83/62/1314698362.db2.gz WAAZATAYOXINOK-BWTSREIZSA-N 2 3 325.500 2.797 20 0 EFADHP c1ccc2c(c1)C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3)CC21CC[NH2+]CC1 ZINC001246864543 1314698365 /nfs/dbraw/zinc/69/83/65/1314698365.db2.gz WAAZATAYOXINOK-BWTSREIZSA-N 2 3 325.500 2.797 20 0 EFADHP Fc1ccc(CN([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CC[NH2+]CC2)cc1F ZINC001246959240 1314715412 /nfs/dbraw/zinc/71/54/12/1314715412.db2.gz VVCPQWDUDHCZKN-QLPKVWCKSA-N 2 3 335.442 2.517 20 0 EFADHP Fc1ccc(C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)cc1F ZINC001246959240 1314715418 /nfs/dbraw/zinc/71/54/18/1314715418.db2.gz VVCPQWDUDHCZKN-QLPKVWCKSA-N 2 3 335.442 2.517 20 0 EFADHP Fc1ccc(C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)cc1F ZINC001246959240 1314715424 /nfs/dbraw/zinc/71/54/24/1314715424.db2.gz VVCPQWDUDHCZKN-QLPKVWCKSA-N 2 3 335.442 2.517 20 0 EFADHP CCN(CC)CC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001255954332 1315884896 /nfs/dbraw/zinc/88/48/96/1315884896.db2.gz URDZPKPJLJLUST-QGZVFWFLSA-N 2 3 325.541 2.587 20 0 EFADHP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C1CC[NH+](C)CC1)CC2 ZINC001256204043 1315916965 /nfs/dbraw/zinc/91/69/65/1315916965.db2.gz CUDCKCANFYEDJF-UHFFFAOYSA-N 2 3 342.531 2.852 20 0 EFADHP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C1CC[NH+](C)CC1)CC2 ZINC001256204043 1315916967 /nfs/dbraw/zinc/91/69/67/1315916967.db2.gz CUDCKCANFYEDJF-UHFFFAOYSA-N 2 3 342.531 2.852 20 0 EFADHP CC(C)C[N@@H+](C1CCC(N2CCOCC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256685216 1315981789 /nfs/dbraw/zinc/98/17/89/1315981789.db2.gz BIQXZOOBDYSSNF-OFVLBHHSSA-N 2 3 337.552 2.858 20 0 EFADHP CC(C)C[N@H+](C1CCC(N2CCOCC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256685216 1315981792 /nfs/dbraw/zinc/98/17/92/1315981792.db2.gz BIQXZOOBDYSSNF-OFVLBHHSSA-N 2 3 337.552 2.858 20 0 EFADHP Cc1cc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)cc[nH+]1 ZINC001256865181 1316002031 /nfs/dbraw/zinc/00/20/31/1316002031.db2.gz SPYWMIJHIHPTFZ-UHFFFAOYSA-N 2 3 337.471 2.576 20 0 EFADHP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC001553292743 1414763334 /nfs/dbraw/zinc/76/33/34/1414763334.db2.gz PPPOAQXVRJNGJV-DROHOTTQSA-N 2 3 339.527 2.731 20 0 EFADHP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC001553292743 1414763338 /nfs/dbraw/zinc/76/33/38/1414763338.db2.gz PPPOAQXVRJNGJV-DROHOTTQSA-N 2 3 339.527 2.731 20 0 EFADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000414848750 244369969 /nfs/dbraw/zinc/36/99/69/244369969.db2.gz XENBHDZDCBQJHL-HZEGPAAWSA-N 2 3 327.516 2.876 20 0 EFADHP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000344657349 142056920 /nfs/dbraw/zinc/05/69/20/142056920.db2.gz BFYKPYDWZKUPMC-HKUYNNGSSA-N 2 3 344.547 2.789 20 0 EFADHP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000344657350 142057068 /nfs/dbraw/zinc/05/70/68/142057068.db2.gz BFYKPYDWZKUPMC-IEBWSBKVSA-N 2 3 344.547 2.789 20 0 EFADHP CCN1CCN(c2ccccc2C[NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000355771068 147058060 /nfs/dbraw/zinc/05/80/60/147058060.db2.gz WBEVOPMZCVCMTF-UHFFFAOYSA-N 2 3 344.547 2.650 20 0 EFADHP CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000415002882 312075805 /nfs/dbraw/zinc/07/58/05/312075805.db2.gz MPDCOQJVSXTZJP-AZUAARDMSA-N 2 3 344.547 2.826 20 0 EFADHP C[C@@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000415136619 312101493 /nfs/dbraw/zinc/10/14/93/312101493.db2.gz XKYUIAMXQFMBJM-MJGOQNOKSA-N 2 3 344.547 2.634 20 0 EFADHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000518397174 315811138 /nfs/dbraw/zinc/81/11/38/315811138.db2.gz PRHPBESHLGSDNQ-ZWKOTPCHSA-N 2 3 349.519 2.775 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000566089489 319031218 /nfs/dbraw/zinc/03/12/18/319031218.db2.gz CZNYHCGXEMHWTG-HRQSHJORSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000566089489 319031220 /nfs/dbraw/zinc/03/12/20/319031220.db2.gz CZNYHCGXEMHWTG-HRQSHJORSA-N 2 3 345.531 2.760 20 0 EFADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305146536 474704607 /nfs/dbraw/zinc/70/46/07/474704607.db2.gz RYJOFMIVVWCCEX-FQEVSTJZSA-N 2 3 337.552 2.610 20 0 EFADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305146536 474704615 /nfs/dbraw/zinc/70/46/15/474704615.db2.gz RYJOFMIVVWCCEX-FQEVSTJZSA-N 2 3 337.552 2.610 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422855514 476811863 /nfs/dbraw/zinc/81/18/63/476811863.db2.gz DZAGFIKUECQJTK-SEONNTABSA-N 2 3 345.531 2.903 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422855514 476811872 /nfs/dbraw/zinc/81/18/72/476811872.db2.gz DZAGFIKUECQJTK-SEONNTABSA-N 2 3 345.531 2.903 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422855516 476812156 /nfs/dbraw/zinc/81/21/56/476812156.db2.gz DZAGFIKUECQJTK-USNOLKROSA-N 2 3 345.531 2.903 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422855516 476812159 /nfs/dbraw/zinc/81/21/59/476812159.db2.gz DZAGFIKUECQJTK-USNOLKROSA-N 2 3 345.531 2.903 20 0 EFADHP C[C@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)C1CNC1 ZINC000422907544 476841932 /nfs/dbraw/zinc/84/19/32/476841932.db2.gz LODRPCKDZTUZJN-SFHVURJKSA-N 2 3 329.532 2.919 20 0 EFADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422915124 476845749 /nfs/dbraw/zinc/84/57/49/476845749.db2.gz XFEAHQZDVFMOBU-FXAWDEMLSA-N 2 3 331.504 2.639 20 0 EFADHP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000423137766 476942713 /nfs/dbraw/zinc/94/27/13/476942713.db2.gz RLUIYWBQXZJVHQ-AZUAARDMSA-N 2 3 345.531 2.632 20 0 EFADHP C[N@@H+]1CCC[C@H](CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423173402 476953966 /nfs/dbraw/zinc/95/39/66/476953966.db2.gz YKSMWNULTKKRQX-IMFGXOCKSA-N 2 3 329.488 2.564 20 0 EFADHP C[N@H+]1CCC[C@H](CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423173402 476953968 /nfs/dbraw/zinc/95/39/68/476953968.db2.gz YKSMWNULTKKRQX-IMFGXOCKSA-N 2 3 329.488 2.564 20 0 EFADHP c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423254702 476976033 /nfs/dbraw/zinc/97/60/33/476976033.db2.gz ZFTPYCXQJRZZRD-PMXSJFBMSA-N 2 3 327.516 2.876 20 0 EFADHP C[NH2+]CC1CC[NH+](Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000435372040 477346460 /nfs/dbraw/zinc/34/64/60/477346460.db2.gz YQKOUHKXWLBOQX-UHFFFAOYSA-N 2 3 344.547 2.648 20 0 EFADHP CCN1CCN(c2ccccc2C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459728439 478061990 /nfs/dbraw/zinc/06/19/90/478061990.db2.gz HXODAWAMIXYQHK-LJQANCHMSA-N 2 3 344.547 2.650 20 0 EFADHP CCN1CCN(c2ccccc2C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459728439 478061997 /nfs/dbraw/zinc/06/19/97/478061997.db2.gz HXODAWAMIXYQHK-LJQANCHMSA-N 2 3 344.547 2.650 20 0 EFADHP C[NH+](C)CCOc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000647483210 480961660 /nfs/dbraw/zinc/96/16/60/480961660.db2.gz CAOLZYNGRSLHMB-HXUWFJFHSA-N 2 3 331.504 2.591 20 0 EFADHP C[NH2+]CC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000647494458 480965584 /nfs/dbraw/zinc/96/55/84/480965584.db2.gz IAHPACNBUZYBAG-UHFFFAOYSA-N 2 3 331.504 2.593 20 0 EFADHP [NH3+]CC[C@H]1CCCCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000647541418 480991246 /nfs/dbraw/zinc/99/12/46/480991246.db2.gz ZTVAZHQTWWSPNW-LJQANCHMSA-N 2 3 331.504 2.865 20 0 EFADHP c1csc(CN2CCC(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647788392 481106251 /nfs/dbraw/zinc/10/62/51/481106251.db2.gz IQYCGJXZEQBZTB-FGTMMUONSA-N 2 3 333.545 2.938 20 0 EFADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000663492918 482264621 /nfs/dbraw/zinc/26/46/21/482264621.db2.gz DWCGRRASUWBFDJ-WLRLJWMZSA-N 2 3 329.532 2.904 20 0 EFADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000663492918 482264626 /nfs/dbraw/zinc/26/46/26/482264626.db2.gz DWCGRRASUWBFDJ-WLRLJWMZSA-N 2 3 329.532 2.904 20 0 EFADHP CCCN1CCN(c2ccccc2C[NH+]2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000435391561 534934449 /nfs/dbraw/zinc/93/44/49/534934449.db2.gz FWGJMXVOFQEVSZ-SFHVURJKSA-N 2 3 344.547 2.778 20 0 EFADHP CC(C)(C)N1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000658066944 547346780 /nfs/dbraw/zinc/34/67/80/547346780.db2.gz HMIRHZOZDARYIU-UHFFFAOYSA-N 2 3 337.552 2.730 20 0 EFADHP [NH3+]CCc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817948812 1276391571 /nfs/dbraw/zinc/39/15/71/1276391571.db2.gz LPNQNFWIWCFDDG-PZJWPPBQSA-N 2 3 337.467 2.533 20 0 EFADHP c1ccc(C[NH+]2CCC(CN3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001234989677 1313218297 /nfs/dbraw/zinc/21/82/97/1313218297.db2.gz BEHGIRWAQGMQOP-NRFANRHFSA-N 2 3 327.516 2.974 20 0 EFADHP C[NH+]1CCC(CC[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235361852 1313301874 /nfs/dbraw/zinc/30/18/74/1313301874.db2.gz JFXLDIMGSWBAOB-FGZHOGPDSA-N 2 3 341.543 2.972 20 0 EFADHP C[NH+]1CCC(CC[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235361852 1313301876 /nfs/dbraw/zinc/30/18/76/1313301876.db2.gz JFXLDIMGSWBAOB-FGZHOGPDSA-N 2 3 341.543 2.972 20 0 EFADHP COc1ccc(C[N@H+](CCC2CC[NH2+]CC2)C2CCNCC2)cc1 ZINC001236441711 1313481748 /nfs/dbraw/zinc/48/17/48/1313481748.db2.gz UKMHWTYTVVWMQJ-UHFFFAOYSA-N 2 3 331.504 2.639 20 0 EFADHP COc1ccc(C[N@@H+](CCC2CC[NH2+]CC2)C2CCNCC2)cc1 ZINC001236441711 1313481751 /nfs/dbraw/zinc/48/17/51/1313481751.db2.gz UKMHWTYTVVWMQJ-UHFFFAOYSA-N 2 3 331.504 2.639 20 0 EFADHP COc1ccc(CN(CCC2CC[NH2+]CC2)C2CC[NH2+]CC2)cc1 ZINC001236441711 1313481754 /nfs/dbraw/zinc/48/17/54/1313481754.db2.gz UKMHWTYTVVWMQJ-UHFFFAOYSA-N 2 3 331.504 2.639 20 0 EFADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2nc3c(s2)CNCC3)CC2CCC2)CC1 ZINC001236542164 1313490352 /nfs/dbraw/zinc/49/03/52/1313490352.db2.gz YLHSMUSVVITVBG-SHTZXODSSA-N 2 3 334.533 2.661 20 0 EFADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2nc3c(s2)CNCC3)CC2CCC2)CC1 ZINC001236542164 1313490355 /nfs/dbraw/zinc/49/03/55/1313490355.db2.gz YLHSMUSVVITVBG-SHTZXODSSA-N 2 3 334.533 2.661 20 0 EFADHP c1c(C[N@H+](C2CCC2)C2CCNCC2)c2cccc3c2n1CC[NH2+]C3 ZINC001236637762 1313502027 /nfs/dbraw/zinc/50/20/27/1313502027.db2.gz VFNFWNUHXUAAGM-UHFFFAOYSA-N 2 3 338.499 2.851 20 0 EFADHP c1c(C[N@@H+](C2CCC2)C2CCNCC2)c2cccc3c2n1CC[NH2+]C3 ZINC001236637762 1313502030 /nfs/dbraw/zinc/50/20/30/1313502030.db2.gz VFNFWNUHXUAAGM-UHFFFAOYSA-N 2 3 338.499 2.851 20 0 EFADHP C[NH+]1CCC(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001207399093 1313675568 /nfs/dbraw/zinc/67/55/68/1313675568.db2.gz ZKUXPBRLMOLCGH-UHFFFAOYSA-N 2 3 327.516 2.851 20 0 EFADHP C[NH+]1CCC(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001207399093 1313675571 /nfs/dbraw/zinc/67/55/71/1313675571.db2.gz ZKUXPBRLMOLCGH-UHFFFAOYSA-N 2 3 327.516 2.851 20 0 EFADHP Cc1noc(C)c1CN1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276616697 1314092118 /nfs/dbraw/zinc/09/21/18/1314092118.db2.gz IILCZBRXZHNYPV-UHFFFAOYSA-N 2 3 329.448 2.503 20 0 EFADHP Cc1noc(C)c1CN1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276616697 1314092120 /nfs/dbraw/zinc/09/21/20/1314092120.db2.gz IILCZBRXZHNYPV-UHFFFAOYSA-N 2 3 329.448 2.503 20 0 EFADHP COc1cccc(C2(NC3CCC4(CC[NH2+]C4)CC3)CC[NH2+]CC2)c1 ZINC001246412975 1314626289 /nfs/dbraw/zinc/62/62/89/1314626289.db2.gz CGPCHBDDDQNITD-UHFFFAOYSA-N 2 3 343.515 2.786 20 0 EFADHP COc1cccc(C2(N[C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)c1 ZINC001246413935 1314626887 /nfs/dbraw/zinc/62/68/87/1314626887.db2.gz GVBJVPPNHGKYMG-QUCCMNQESA-N 2 3 343.515 2.786 20 0 EFADHP COc1ccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)cc1 ZINC001246414993 1314627096 /nfs/dbraw/zinc/62/70/96/1314627096.db2.gz KAAZFPRKRAKKEB-REPLKXPHSA-N 2 3 343.515 2.579 20 0 EFADHP C[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)CCN1 ZINC001246425516 1314627356 /nfs/dbraw/zinc/62/73/56/1314627356.db2.gz LLUVDYZBIOQZLF-CRAIPNDOSA-N 2 3 335.923 2.982 20 0 EFADHP Clc1cccc(C2(CN[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)c1 ZINC001246426641 1314627625 /nfs/dbraw/zinc/62/76/25/1314627625.db2.gz ILSJSSDCSDLQAQ-BCDXTJNWSA-N 2 3 333.907 2.834 20 0 EFADHP Clc1cccc(CC2([NH2+][C@H]3CCC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246429690 1314628452 /nfs/dbraw/zinc/62/84/52/1314628452.db2.gz PNLSBJNFIQHABD-KRWDZBQOSA-N 2 3 333.907 2.736 20 0 EFADHP Clc1cccc(CC2([NH2+][C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)c1 ZINC001246431437 1314628628 /nfs/dbraw/zinc/62/86/28/1314628628.db2.gz YOIPKAZDEQTYFK-ALXJQNPVSA-N 2 3 333.907 2.592 20 0 EFADHP Fc1ccccc1C1([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246435363 1314628883 /nfs/dbraw/zinc/62/88/83/1314628883.db2.gz HUMPRRVKIQTEQV-QFBILLFUSA-N 2 3 331.479 2.916 20 0 EFADHP Clc1ccccc1C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246443787 1314630189 /nfs/dbraw/zinc/63/01/89/1314630189.db2.gz CRUNBMJMKWXKRC-MUJYYYPQSA-N 2 3 333.907 2.834 20 0 EFADHP C[C@H](Cc1cccc(Br)c1)NCCC[NH2+]CCCC[NH3+] ZINC001246454963 1314631012 /nfs/dbraw/zinc/63/10/12/1314631012.db2.gz BVJHRDXZNMRHRC-CQSZACIVSA-N 2 3 342.325 2.688 20 0 EFADHP c1ccc([C@@H]2C[C@H](N3CCC(OC4CC[NH2+]CC4)CC3)CC[NH2+]2)cc1 ZINC001246663577 1314666105 /nfs/dbraw/zinc/66/61/05/1314666105.db2.gz OOHNLTRJEITQGC-NQIIRXRSSA-N 2 3 343.515 2.713 20 0 EFADHP CC(C)[C@@H]1C[C@H](N2Cc3ccccc3C3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246858214 1314697899 /nfs/dbraw/zinc/69/78/99/1314697899.db2.gz CCNOMOQLYSNMOR-QUCCMNQESA-N 2 3 327.516 2.900 20 0 EFADHP CC(C)[C@H]1C[C@@H](N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246910755 1314707265 /nfs/dbraw/zinc/70/72/65/1314707265.db2.gz LFICKHXJNSBQDT-JSXRDJHFSA-N 2 3 327.516 2.827 20 0 EFADHP CC(C)[C@H]1C[C@@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246910755 1314707266 /nfs/dbraw/zinc/70/72/66/1314707266.db2.gz LFICKHXJNSBQDT-JSXRDJHFSA-N 2 3 327.516 2.827 20 0 EFADHP C([C@@H]1CCCNC1)[N@H+](C1CCCC1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246935972 1314710183 /nfs/dbraw/zinc/71/01/83/1314710183.db2.gz UVOZQQPMVYZVCZ-QHGAOEGBSA-N 2 3 335.536 2.532 20 0 EFADHP C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246935972 1314710185 /nfs/dbraw/zinc/71/01/85/1314710185.db2.gz UVOZQQPMVYZVCZ-QHGAOEGBSA-N 2 3 335.536 2.532 20 0 EFADHP CCN(CC)CC[C@@H](C)[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001255948870 1315884086 /nfs/dbraw/zinc/88/40/86/1315884086.db2.gz QYNLFUMTRSFIFL-GOSISDBHSA-N 2 3 339.568 2.835 20 0 EFADHP C[C@@H]1C[C@@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256561298 1315959648 /nfs/dbraw/zinc/95/96/48/1315959648.db2.gz XCRVZQIIDDSXOO-AYWYSENESA-N 2 3 327.516 2.923 20 0 EFADHP C[C@@H]1C[C@@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256561298 1315959652 /nfs/dbraw/zinc/95/96/52/1315959652.db2.gz XCRVZQIIDDSXOO-AYWYSENESA-N 2 3 327.516 2.923 20 0 EFADHP CC(C)C[NH+]1CCC(C[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256680689 1315980918 /nfs/dbraw/zinc/98/09/18/1315980918.db2.gz AWPIWMAWOYKWKQ-UHFFFAOYSA-N 2 3 337.552 2.587 20 0 EFADHP C[C@@H](C[NH2+]C1CCC(N2CCOCC2)CC1)CC(C)(C)CC[NH3+] ZINC001256684909 1315981323 /nfs/dbraw/zinc/98/13/23/1315981323.db2.gz VYGAXANMQJJMJZ-WWDZGPRUSA-N 2 3 325.541 2.621 20 0 EFADHP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001256907713 1316008547 /nfs/dbraw/zinc/00/85/47/1316008547.db2.gz HIWSZSNJCYVDJZ-KRWDZBQOSA-N 2 3 338.584 2.869 20 0 EFADHP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001258904261 1316190867 /nfs/dbraw/zinc/19/08/67/1316190867.db2.gz JQOCWHALIYEWPR-GOSISDBHSA-N 2 3 339.568 2.978 20 0 EFADHP [NH3+]CC1(c2ccccc2)CC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC001550943485 1413813781 /nfs/dbraw/zinc/81/37/81/1413813781.db2.gz GDKZHUGGHXPZPQ-YZDRJCRTSA-N 2 3 327.516 2.803 20 0 EFADHP CC1([NH+]2CCOCC2)CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC001551379166 1414049466 /nfs/dbraw/zinc/04/94/66/1414049466.db2.gz IFNVECUUWSXJEE-JWFWCLOMSA-N 2 3 349.563 2.778 20 0 EFADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551378698 1414049861 /nfs/dbraw/zinc/04/98/61/1414049861.db2.gz BKJLQTMSTVVVHW-XRTORIHISA-N 2 3 346.519 2.533 20 0 EFADHP CC1([NH+]2CCOCC2)CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC001551379168 1414050066 /nfs/dbraw/zinc/05/00/66/1414050066.db2.gz IFNVECUUWSXJEE-RKDVLTNBSA-N 2 3 349.563 2.778 20 0 EFADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC001553023822 1414648348 /nfs/dbraw/zinc/64/83/48/1414648348.db2.gz GRNJICKEDHGKEU-IPMKNSEASA-N 2 3 328.504 2.664 20 0 EFADHP CC(C)CCN1CCC([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000925440595 728764228 /nfs/dbraw/zinc/76/42/28/728764228.db2.gz UBUFYOZTMBRJCQ-KDURUIRLSA-N 2 3 339.568 2.976 20 0 EFADHP CC(C)CCN1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000925440595 728764230 /nfs/dbraw/zinc/76/42/30/728764230.db2.gz UBUFYOZTMBRJCQ-KDURUIRLSA-N 2 3 339.568 2.976 20 0 EFADHP CN(C)CC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000423040558 282075128 /nfs/dbraw/zinc/07/51/28/282075128.db2.gz UPZGVJQUKQKZPU-RXVVDRJESA-N 2 3 343.515 2.954 20 0 EFADHP CN(c1ccccc1C[NH2+]CC1CC[NH+](C)CC1)C1CCN(C)CC1 ZINC000133951452 289785522 /nfs/dbraw/zinc/78/55/22/289785522.db2.gz RMHWROBFHQABLC-UHFFFAOYSA-N 2 3 344.547 2.648 20 0 EFADHP COCC1(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC[NH2+]CC1 ZINC000414972354 312069084 /nfs/dbraw/zinc/06/90/84/312069084.db2.gz JZVKHPJUUROVCI-MJGOQNOKSA-N 2 3 337.552 2.635 20 0 EFADHP COCC1(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC[NH2+]CC1 ZINC000414982417 312070981 /nfs/dbraw/zinc/07/09/81/312070981.db2.gz YBBNLIWJNLSYEJ-IEBWSBKVSA-N 2 3 337.552 2.635 20 0 EFADHP COCC1(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CC[NH2+]CC1 ZINC000414982417 312070982 /nfs/dbraw/zinc/07/09/82/312070982.db2.gz YBBNLIWJNLSYEJ-IEBWSBKVSA-N 2 3 337.552 2.635 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000571073183 319540211 /nfs/dbraw/zinc/54/02/11/319540211.db2.gz CGPRDYYSKBIZHW-WMQCIHAUSA-N 2 3 345.531 2.905 20 0 EFADHP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000165933540 473518711 /nfs/dbraw/zinc/51/87/11/473518711.db2.gz SXCCWCHNJPRKOO-IBGZPJMESA-N 2 3 325.541 2.730 20 0 EFADHP C[NH+](C)CCOc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422741129 476754815 /nfs/dbraw/zinc/75/48/15/476754815.db2.gz OCSRLVFNXFHACX-PWRODBHTSA-N 2 3 345.531 2.680 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422787910 476773737 /nfs/dbraw/zinc/77/37/37/476773737.db2.gz MJKXDGLSCHVKKR-VDGAXYAQSA-N 2 3 331.504 2.514 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422823694 476795614 /nfs/dbraw/zinc/79/56/14/476795614.db2.gz DWILOMFXYOQGCV-YYWHXJBOSA-N 2 3 345.531 2.905 20 0 EFADHP N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422907064 476841554 /nfs/dbraw/zinc/84/15/54/476841554.db2.gz AUMRGHVJYDRISN-PMACEKPBSA-N 2 3 331.504 2.911 20 0 EFADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422915125 476845616 /nfs/dbraw/zinc/84/56/16/476845616.db2.gz XFEAHQZDVFMOBU-PXNSSMCTSA-N 2 3 331.504 2.639 20 0 EFADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422998154 476885252 /nfs/dbraw/zinc/88/52/52/476885252.db2.gz CJYKIUKDEXHSST-XYYCENQHSA-N 2 3 345.531 2.629 20 0 EFADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422998154 476885256 /nfs/dbraw/zinc/88/52/56/476885256.db2.gz CJYKIUKDEXHSST-XYYCENQHSA-N 2 3 345.531 2.629 20 0 EFADHP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(OCCN(C)C)cc1 ZINC000423538928 477067835 /nfs/dbraw/zinc/06/78/35/477067835.db2.gz HHMBMHPOJLDJIP-DSLXNQLJSA-N 2 3 331.504 2.666 20 0 EFADHP CC(C)N1CCN(CCC[N@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000640533038 480438770 /nfs/dbraw/zinc/43/87/70/480438770.db2.gz ACPFIBAGXQGYKW-UHFFFAOYSA-N 2 3 338.584 2.600 20 0 EFADHP CC(C)N1CCN(CCC[N@@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000640533038 480438779 /nfs/dbraw/zinc/43/87/79/480438779.db2.gz ACPFIBAGXQGYKW-UHFFFAOYSA-N 2 3 338.584 2.600 20 0 EFADHP C[NH2+]CCC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000647509980 480971014 /nfs/dbraw/zinc/97/10/14/480971014.db2.gz RSLWRLQJNDKVOM-UHFFFAOYSA-N 2 3 345.531 2.983 20 0 EFADHP CN1CCC(Oc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000647796694 481111441 /nfs/dbraw/zinc/11/14/41/481111441.db2.gz KKCSEFSHWOUMEG-IPMKNSEASA-N 2 3 343.515 2.637 20 0 EFADHP CN1CCC(Oc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000647796691 481111695 /nfs/dbraw/zinc/11/16/95/481111695.db2.gz KKCSEFSHWOUMEG-CEXWTWQISA-N 2 3 343.515 2.637 20 0 EFADHP c1cc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)ccn1 ZINC000665240583 481739293 /nfs/dbraw/zinc/73/92/93/481739293.db2.gz NXAHGFCRJJDFNZ-QHAWAJNXSA-N 2 3 342.531 2.804 20 0 EFADHP c1cc(N2CCC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)CC2)cc[nH+]1 ZINC000668818390 482279450 /nfs/dbraw/zinc/27/94/50/482279450.db2.gz GYNWSERYEPIOCM-SFHVURJKSA-N 2 3 328.504 2.762 20 0 EFADHP CN(C)CCOc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656785997 546924492 /nfs/dbraw/zinc/92/44/92/546924492.db2.gz PJMPPICYTAUVRG-HXUWFJFHSA-N 2 3 345.531 2.839 20 0 EFADHP C[NH+](C)CCOc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656785997 546924495 /nfs/dbraw/zinc/92/44/95/546924495.db2.gz PJMPPICYTAUVRG-HXUWFJFHSA-N 2 3 345.531 2.839 20 0 EFADHP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685470510 550155912 /nfs/dbraw/zinc/15/59/12/550155912.db2.gz ZXOLEPKSNWONBL-RXVVDRJESA-N 2 3 345.531 2.933 20 0 EFADHP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685470510 550155913 /nfs/dbraw/zinc/15/59/13/550155913.db2.gz ZXOLEPKSNWONBL-RXVVDRJESA-N 2 3 345.531 2.933 20 0 EFADHP [NH3+]CCc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817948814 1276391047 /nfs/dbraw/zinc/39/10/47/1276391047.db2.gz LPNQNFWIWCFDDG-TZIWHRDSSA-N 2 3 337.467 2.533 20 0 EFADHP C[NH+](C)CC[C@H](c1ccc(N[C@@H](N)CCC[NH3+])cc1)c1ccccn1 ZINC001170900942 1276508912 /nfs/dbraw/zinc/50/89/12/1276508912.db2.gz RPPREOSPURYSCH-UYAOXDASSA-N 2 3 341.503 2.601 20 0 EFADHP CC1(C[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC[NH2+]CC1 ZINC001235367614 1313303358 /nfs/dbraw/zinc/30/33/58/1313303358.db2.gz UGDXKJYUUVNCKF-TZIWHRDSSA-N 2 3 327.516 2.629 20 0 EFADHP CC1(C[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC[NH2+]CC1 ZINC001235367614 1313303362 /nfs/dbraw/zinc/30/33/62/1313303362.db2.gz UGDXKJYUUVNCKF-TZIWHRDSSA-N 2 3 327.516 2.629 20 0 EFADHP CC1(C[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC[NH2+]CC1 ZINC001235367611 1313303647 /nfs/dbraw/zinc/30/36/47/1313303647.db2.gz UGDXKJYUUVNCKF-CTNGQTDRSA-N 2 3 327.516 2.629 20 0 EFADHP CC1(C[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)CC[NH2+]CC1 ZINC001235367611 1313303649 /nfs/dbraw/zinc/30/36/49/1313303649.db2.gz UGDXKJYUUVNCKF-CTNGQTDRSA-N 2 3 327.516 2.629 20 0 EFADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000925712400 1296869292 /nfs/dbraw/zinc/86/92/92/1296869292.db2.gz UKZPJXXBVFXTSO-JDUFGBRSSA-N 2 3 331.479 2.624 20 0 EFADHP c1ccc(CN2C[C@@H]3C[NH+](Cc4ccc5c(c4)CC[NH2+]C5)C[C@H]3C2)cc1 ZINC001235789991 1313396362 /nfs/dbraw/zinc/39/63/62/1313396362.db2.gz YPSFDFQPQKNMRG-DHIUTWEWSA-N 2 3 347.506 2.896 20 0 EFADHP c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc5c(c4)CC[NH2+]C5)C[C@@H]3C2)cc1 ZINC001235789996 1313396757 /nfs/dbraw/zinc/39/67/57/1313396757.db2.gz YPSFDFQPQKNMRG-ZRZAMGCNSA-N 2 3 347.506 2.896 20 0 EFADHP c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc5c(c4)CC[NH2+]C5)C[C@@H]3C2)cc1 ZINC001235789996 1313396760 /nfs/dbraw/zinc/39/67/60/1313396760.db2.gz YPSFDFQPQKNMRG-ZRZAMGCNSA-N 2 3 347.506 2.896 20 0 EFADHP Cc1cc(F)ccc1C[N@H+](CCC12CC([NH3+])(C1)C2)C1CCNCC1 ZINC001236515846 1313487756 /nfs/dbraw/zinc/48/77/56/1313487756.db2.gz BCQGRJCUZHZNAD-UHFFFAOYSA-N 2 3 331.479 2.960 20 0 EFADHP Cc1cc(F)ccc1C[N@@H+](CCC12CC([NH3+])(C1)C2)C1CCNCC1 ZINC001236515846 1313487758 /nfs/dbraw/zinc/48/77/58/1313487758.db2.gz BCQGRJCUZHZNAD-UHFFFAOYSA-N 2 3 331.479 2.960 20 0 EFADHP Cc1cc(F)ccc1CN(CCC12CC([NH3+])(C1)C2)C1CC[NH2+]CC1 ZINC001236515846 1313487761 /nfs/dbraw/zinc/48/77/61/1313487761.db2.gz BCQGRJCUZHZNAD-UHFFFAOYSA-N 2 3 331.479 2.960 20 0 EFADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc3c(s2)CCNC3)C2CCOCC2)CC1 ZINC001236552655 1313491698 /nfs/dbraw/zinc/49/16/98/1313491698.db2.gz QLTACOXAKUAZAP-WKILWMFISA-N 2 3 349.544 2.645 20 0 EFADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc3c(s2)CCNC3)C2CCOCC2)CC1 ZINC001236552655 1313491701 /nfs/dbraw/zinc/49/17/01/1313491701.db2.gz QLTACOXAKUAZAP-WKILWMFISA-N 2 3 349.544 2.645 20 0 EFADHP c1cc2n(c1CN1CCCC3(CCCC[NH2+]C3)CCC1)CC[NH2+]C2 ZINC001222113818 1311086887 /nfs/dbraw/zinc/08/68/87/1311086887.db2.gz OUVJPMCNKLDXGT-UHFFFAOYSA-N 2 3 330.520 2.727 20 0 EFADHP c1ccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CC23CNC3)cc1 ZINC001222614592 1311161448 /nfs/dbraw/zinc/16/14/48/1311161448.db2.gz HJDGNISULOKDND-NRFANRHFSA-N 2 3 333.479 2.521 20 0 EFADHP c1ccc([C@@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CC23CNC3)cc1 ZINC001222614592 1311161451 /nfs/dbraw/zinc/16/14/51/1311161451.db2.gz HJDGNISULOKDND-NRFANRHFSA-N 2 3 333.479 2.521 20 0 EFADHP COc1ccccc1C1([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCNCC1 ZINC001246376040 1314618771 /nfs/dbraw/zinc/61/87/71/1314618771.db2.gz KFDSJDSAFWFZMY-KRWDZBQOSA-N 2 3 343.515 2.786 20 0 EFADHP CC(C)[C@H]1C[C@H](NCC2(c3cccc(F)c3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246385306 1314620143 /nfs/dbraw/zinc/62/01/43/1314620143.db2.gz CTGYFMIEQSXABX-RTBURBONSA-N 2 3 333.495 2.813 20 0 EFADHP COc1cccc(C2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246384281 1314620383 /nfs/dbraw/zinc/62/03/83/1314620383.db2.gz BBEYKNKXGOMGOA-GOSISDBHSA-N 2 3 343.515 2.581 20 0 EFADHP CC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(OC)cc3)CC[NH2+]CC2)CCN1 ZINC001246388796 1314620653 /nfs/dbraw/zinc/62/06/53/1314620653.db2.gz OILPXSIGETVQRC-RTBURBONSA-N 2 3 345.531 2.728 20 0 EFADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246388559 1314620915 /nfs/dbraw/zinc/62/09/15/1314620915.db2.gz YVUPABAQPBPOLK-HGKCTWBKSA-N 2 3 333.495 2.857 20 0 EFADHP COc1ccc(CC2(C[NH2+][C@@H]3C[C@@H](C)N[C@@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246392838 1314621571 /nfs/dbraw/zinc/62/15/71/1314621571.db2.gz RTCDDUWMOBAHKH-IZZQQSIFSA-N 2 3 345.531 2.726 20 0 EFADHP COc1ccccc1CN([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246394718 1314622813 /nfs/dbraw/zinc/62/28/13/1314622813.db2.gz JKIKVCQNINZFGZ-OWYHZJEWSA-N 2 3 331.504 2.908 20 0 EFADHP COc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN[C@H](C)C1 ZINC001246394718 1314622817 /nfs/dbraw/zinc/62/28/17/1314622817.db2.gz JKIKVCQNINZFGZ-OWYHZJEWSA-N 2 3 331.504 2.908 20 0 EFADHP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN[C@H](C)C1 ZINC001246394718 1314622822 /nfs/dbraw/zinc/62/28/22/1314622822.db2.gz JKIKVCQNINZFGZ-OWYHZJEWSA-N 2 3 331.504 2.908 20 0 EFADHP Fc1cccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246398426 1314623792 /nfs/dbraw/zinc/62/37/92/1314623792.db2.gz WXBZSORLOAEMMB-REPLKXPHSA-N 2 3 331.479 2.710 20 0 EFADHP CCCC[C@H]1C[C@@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246411563 1314626345 /nfs/dbraw/zinc/62/63/45/1314626345.db2.gz AQASNMANSWOSRZ-PMACEKPBSA-N 2 3 344.547 2.894 20 0 EFADHP COc1ccccc1C1(C[NH2+][C@H]2CCNC3(CCC3)C2)CC[NH2+]CC1 ZINC001246413918 1314627135 /nfs/dbraw/zinc/62/71/35/1314627135.db2.gz GNAFOXRVGJICJQ-KRWDZBQOSA-N 2 3 343.515 2.581 20 0 EFADHP COc1ccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)cc1 ZINC001246414992 1314627159 /nfs/dbraw/zinc/62/71/59/1314627159.db2.gz KAAZFPRKRAKKEB-BWTSREIZSA-N 2 3 343.515 2.579 20 0 EFADHP Fc1ccccc1C1([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246435359 1314628909 /nfs/dbraw/zinc/62/89/09/1314628909.db2.gz HUMPRRVKIQTEQV-APWZRJJASA-N 2 3 331.479 2.916 20 0 EFADHP CC(C)[C@H]1C[C@@H](N2CCC3(CC2)C[NH2+]Cc2ccccc23)CC[NH2+]1 ZINC001246640577 1314662011 /nfs/dbraw/zinc/66/20/11/1314662011.db2.gz VXCFLHDUUVYFQD-AZUAARDMSA-N 2 3 327.516 2.900 20 0 EFADHP CC(C)[C@@H]1C[C@H](N2CCC3(CC2)C[NH2+]Cc2ccccc23)CC[NH2+]1 ZINC001246640767 1314662064 /nfs/dbraw/zinc/66/20/64/1314662064.db2.gz VXCFLHDUUVYFQD-QUCCMNQESA-N 2 3 327.516 2.900 20 0 EFADHP c1ccc([C@@]23CCNC[C@@H]2C[N@H+](C2CCC4(C[NH2+]C4)CC2)CC3)cc1 ZINC001246669835 1314667455 /nfs/dbraw/zinc/66/74/55/1314667455.db2.gz ABPDLITXROMLEE-KNQAVFIVSA-N 2 3 339.527 2.772 20 0 EFADHP c1ccc([C@@]23CCNC[C@@H]2C[N@@H+](C2CCC4(C[NH2+]C4)CC2)CC3)cc1 ZINC001246669835 1314667459 /nfs/dbraw/zinc/66/74/59/1314667459.db2.gz ABPDLITXROMLEE-KNQAVFIVSA-N 2 3 339.527 2.772 20 0 EFADHP Fc1cccc(C[N@H+](C2CCNCC2)C2CCC3(C[NH2+]C3)CC2)c1 ZINC001246934334 1314710497 /nfs/dbraw/zinc/71/04/97/1314710497.db2.gz CDUUCWUVUDARNU-UHFFFAOYSA-N 2 3 331.479 2.912 20 0 EFADHP Fc1cccc(C[N@@H+](C2CCNCC2)C2CCC3(C[NH2+]C3)CC2)c1 ZINC001246934334 1314710502 /nfs/dbraw/zinc/71/05/02/1314710502.db2.gz CDUUCWUVUDARNU-UHFFFAOYSA-N 2 3 331.479 2.912 20 0 EFADHP Fc1ccc(CN(CC2CC[NH2+]CC2)[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246941123 1314711767 /nfs/dbraw/zinc/71/17/67/1314711767.db2.gz XULDMFIYKOAKRR-ACDBMABISA-N 2 3 331.479 2.910 20 0 EFADHP c1ccc(CN(C2CC[NH2+]CC2)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)nc1 ZINC001246955909 1314715005 /nfs/dbraw/zinc/71/50/05/1314715005.db2.gz VNTLMIYPFQNJDI-UXHICEINSA-N 2 3 328.504 2.558 20 0 EFADHP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220384047 1315405463 /nfs/dbraw/zinc/40/54/63/1315405463.db2.gz HVDSQOHOCNQZSL-MSOLQXFVSA-N 2 3 346.519 2.617 20 0 EFADHP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679909 1315980196 /nfs/dbraw/zinc/98/01/96/1315980196.db2.gz VJKDOCAZAMPHNQ-VIQWUECVSA-N 2 3 325.541 2.730 20 0 EFADHP C([NH2+]C1CCC(N2CCOCC2)CC1)C1CC[NH+](CC2CCC2)CC1 ZINC001256681391 1315980647 /nfs/dbraw/zinc/98/06/47/1315980647.db2.gz SSRATCZABWXJOD-UHFFFAOYSA-N 2 3 349.563 2.732 20 0 EFADHP CC[NH+](CC)CCC[C@@H](C)N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001258904761 1316190879 /nfs/dbraw/zinc/19/08/79/1316190879.db2.gz KKZCSVWLLSURJA-GOSISDBHSA-N 2 3 332.536 2.928 20 0 EFADHP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001258904262 1316190972 /nfs/dbraw/zinc/19/09/72/1316190972.db2.gz JQOCWHALIYEWPR-SFHVURJKSA-N 2 3 339.568 2.978 20 0 EFADHP CC1([NH+]2CCOCC2)CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC001551379167 1414048832 /nfs/dbraw/zinc/04/88/32/1414048832.db2.gz IFNVECUUWSXJEE-OMYXNUHHSA-N 2 3 349.563 2.778 20 0 EFADHP CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC001553023819 1414648649 /nfs/dbraw/zinc/64/86/49/1414648649.db2.gz GRNJICKEDHGKEU-GUDVDZBRSA-N 2 3 328.504 2.664 20 0 EFADHP CC(C)CCN1CCC([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000925440596 728764293 /nfs/dbraw/zinc/76/42/93/728764293.db2.gz UBUFYOZTMBRJCQ-OALUTQOASA-N 2 3 339.568 2.976 20 0 EFADHP NCc1nn(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)c2ccccc12 ZINC001167701723 1096048657 /nfs/dbraw/zinc/04/86/57/1096048657.db2.gz SUHATHOISHEBBN-UHFFFAOYSA-N 2 3 349.482 2.655 20 0 EFADHP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000435382656 296024956 /nfs/dbraw/zinc/02/49/56/296024956.db2.gz DZHPRZAFZSECHN-QZTJIDSGSA-N 2 3 344.547 2.776 20 0 EFADHP CC[NH+](CC)CCOC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000444599878 250314235 /nfs/dbraw/zinc/31/42/35/250314235.db2.gz UVRNXKLANXSFKG-UHFFFAOYSA-N 2 3 325.541 2.685 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000422858546 278228911 /nfs/dbraw/zinc/22/89/11/278228911.db2.gz IYYGTXXGFWSFOB-SQBLYHGDSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000422858546 278228913 /nfs/dbraw/zinc/22/89/13/278228913.db2.gz IYYGTXXGFWSFOB-SQBLYHGDSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@@H]1CN(CCC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000420318195 288156881 /nfs/dbraw/zinc/15/68/81/288156881.db2.gz NUMFLUBWJNOIJG-QWFCFKBJSA-N 2 3 337.552 2.587 20 0 EFADHP CC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC[NH2+]CC1 ZINC000414896296 312059046 /nfs/dbraw/zinc/05/90/46/312059046.db2.gz BKMIMWKJHBUKHB-HSALFYBXSA-N 2 3 327.516 2.876 20 0 EFADHP COCC1(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC[NH2+]CC1 ZINC000414972349 312069308 /nfs/dbraw/zinc/06/93/08/312069308.db2.gz JZVKHPJUUROVCI-HKUYNNGSSA-N 2 3 337.552 2.635 20 0 EFADHP COCC1(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC[NH2+]CC1 ZINC000414982419 312070967 /nfs/dbraw/zinc/07/09/67/312070967.db2.gz YBBNLIWJNLSYEJ-MJGOQNOKSA-N 2 3 337.552 2.635 20 0 EFADHP COCC1(C[NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CC[NH2+]CC1 ZINC000414982419 312070969 /nfs/dbraw/zinc/07/09/69/312070969.db2.gz YBBNLIWJNLSYEJ-MJGOQNOKSA-N 2 3 337.552 2.635 20 0 EFADHP CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000415002890 312075667 /nfs/dbraw/zinc/07/56/67/312075667.db2.gz MPDCOQJVSXTZJP-UYAOXDASSA-N 2 3 344.547 2.826 20 0 EFADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4C[C@H]4C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000415005167 312076317 /nfs/dbraw/zinc/07/63/17/312076317.db2.gz IRWGQMXBFYOHOK-BIRZXAFVSA-N 2 3 339.527 2.875 20 0 EFADHP CN(c1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)C1CCN(C)CC1 ZINC000415012459 312077107 /nfs/dbraw/zinc/07/71/07/312077107.db2.gz XHGBOZGNTSVDJH-IEBWSBKVSA-N 2 3 344.547 2.824 20 0 EFADHP c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000578518522 320213947 /nfs/dbraw/zinc/21/39/47/320213947.db2.gz OGLKTOGDGLZIJD-ACRUOGEOSA-N 2 3 327.516 2.876 20 0 EFADHP C[NH+](C)CCCOc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000263841593 473873498 /nfs/dbraw/zinc/87/34/98/473873498.db2.gz HDEBFXDRVUVPOI-UHFFFAOYSA-N 2 3 331.504 2.734 20 0 EFADHP C[NH+](C)CCOc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422741127 476754936 /nfs/dbraw/zinc/75/49/36/476754936.db2.gz OCSRLVFNXFHACX-NJDAHSKKSA-N 2 3 345.531 2.680 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422782903 476772804 /nfs/dbraw/zinc/77/28/04/476772804.db2.gz NQXIISWUGGACHM-YYWHXJBOSA-N 2 3 345.531 2.905 20 0 EFADHP Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)CCC[NH3+])CC2)c1 ZINC000422812171 476789183 /nfs/dbraw/zinc/78/91/83/476789183.db2.gz QCPPXYVISVNTJJ-LJQANCHMSA-N 2 3 332.536 2.614 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422855511 476812425 /nfs/dbraw/zinc/81/24/25/476812425.db2.gz DZAGFIKUECQJTK-IDPBPBMLSA-N 2 3 345.531 2.903 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422855511 476812431 /nfs/dbraw/zinc/81/24/31/476812431.db2.gz DZAGFIKUECQJTK-IDPBPBMLSA-N 2 3 345.531 2.903 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000422858544 476813365 /nfs/dbraw/zinc/81/33/65/476813365.db2.gz IYYGTXXGFWSFOB-HRQSHJORSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000422858544 476813372 /nfs/dbraw/zinc/81/33/72/476813372.db2.gz IYYGTXXGFWSFOB-HRQSHJORSA-N 2 3 345.531 2.760 20 0 EFADHP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422895592 476832484 /nfs/dbraw/zinc/83/24/84/476832484.db2.gz WEUUAKAXWUZBCE-PXNSSMCTSA-N 2 3 333.520 2.885 20 0 EFADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422915127 476844630 /nfs/dbraw/zinc/84/46/30/476844630.db2.gz XFEAHQZDVFMOBU-YLJYHZDGSA-N 2 3 331.504 2.639 20 0 EFADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422998152 476884546 /nfs/dbraw/zinc/88/45/46/476884546.db2.gz CJYKIUKDEXHSST-RKNHFHLDSA-N 2 3 345.531 2.629 20 0 EFADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422998152 476884547 /nfs/dbraw/zinc/88/45/47/476884547.db2.gz CJYKIUKDEXHSST-RKNHFHLDSA-N 2 3 345.531 2.629 20 0 EFADHP CN(c1ccccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000414963147 476904213 /nfs/dbraw/zinc/90/42/13/476904213.db2.gz CQWGISRBBKBRGO-LJQANCHMSA-N 2 3 344.547 2.839 20 0 EFADHP c1ccc(C[N@H+]2CC[C@@H](NCC3=CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423360540 477005141 /nfs/dbraw/zinc/00/51/41/477005141.db2.gz WCVZEXLWRKVKPF-HBMCJLEFSA-N 2 3 325.500 2.939 20 0 EFADHP c1ccc(C[N@@H+]2CC[C@@H](NCC3=CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423360540 477005144 /nfs/dbraw/zinc/00/51/44/477005144.db2.gz WCVZEXLWRKVKPF-HBMCJLEFSA-N 2 3 325.500 2.939 20 0 EFADHP c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423534926 477067760 /nfs/dbraw/zinc/06/77/60/477067760.db2.gz BODWTCXIIXWHDU-PWRODBHTSA-N 2 3 325.500 2.796 20 0 EFADHP Cc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000533101599 478035469 /nfs/dbraw/zinc/03/54/69/478035469.db2.gz QAXVCPWZMZDINO-MDBPOYHNSA-N 2 3 346.523 2.574 20 0 EFADHP Cc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000533101599 478035479 /nfs/dbraw/zinc/03/54/79/478035479.db2.gz QAXVCPWZMZDINO-MDBPOYHNSA-N 2 3 346.523 2.574 20 0 EFADHP Cc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(N[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000533101599 478035485 /nfs/dbraw/zinc/03/54/85/478035485.db2.gz QAXVCPWZMZDINO-MDBPOYHNSA-N 2 3 346.523 2.574 20 0 EFADHP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(N[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000533101599 478035496 /nfs/dbraw/zinc/03/54/96/478035496.db2.gz QAXVCPWZMZDINO-MDBPOYHNSA-N 2 3 346.523 2.574 20 0 EFADHP CC[NH2+]CC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000647503734 480970225 /nfs/dbraw/zinc/97/02/25/480970225.db2.gz GAEYYTSWKANNDB-UHFFFAOYSA-N 2 3 345.531 2.983 20 0 EFADHP [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]21 ZINC000647511523 480970804 /nfs/dbraw/zinc/97/08/04/480970804.db2.gz XYPUIYMWFQWSKS-CEWLAPEOSA-N 2 3 343.515 2.720 20 0 EFADHP CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543361 480993825 /nfs/dbraw/zinc/99/38/25/480993825.db2.gz LUCQKOGYLFSQQK-PMACEKPBSA-N 2 3 345.531 2.839 20 0 EFADHP CN(C)CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543361 480993831 /nfs/dbraw/zinc/99/38/31/480993831.db2.gz LUCQKOGYLFSQQK-PMACEKPBSA-N 2 3 345.531 2.839 20 0 EFADHP [NH3+]Cc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000647553018 480999497 /nfs/dbraw/zinc/99/94/97/480999497.db2.gz NIQOTKMKHCSEOG-UHFFFAOYSA-N 2 3 339.483 2.910 20 0 EFADHP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000414660560 534935518 /nfs/dbraw/zinc/93/55/18/534935518.db2.gz OOMKNPDVMQPUMD-OALUTQOASA-N 2 3 344.547 2.778 20 0 EFADHP CN(c1ccccc1CN[C@H]1CCC[C@@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000414929285 546194684 /nfs/dbraw/zinc/19/46/84/546194684.db2.gz RGLLVPZQBKAJGG-MSOLQXFVSA-N 2 3 330.520 2.577 20 0 EFADHP [NH3+]C12CC(CC[N@@H+]3CC[C@@]4(c5ccccc5)CCNC[C@H]4C3)(C1)C2 ZINC001235360634 1313301385 /nfs/dbraw/zinc/30/13/85/1313301385.db2.gz ACHZODLLJPDEMX-GKYDQMIMSA-N 2 3 325.500 2.511 20 0 EFADHP [NH3+]C12CC(CC[N@H+]3CC[C@@]4(c5ccccc5)CCNC[C@H]4C3)(C1)C2 ZINC001235360634 1313301388 /nfs/dbraw/zinc/30/13/88/1313301388.db2.gz ACHZODLLJPDEMX-GKYDQMIMSA-N 2 3 325.500 2.511 20 0 EFADHP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235363685 1313302213 /nfs/dbraw/zinc/30/22/13/1313302213.db2.gz JKIPELGTLTWVEY-RBBKRZOGSA-N 2 3 341.543 2.972 20 0 EFADHP C[NH+]1CCC(C)(C[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235363685 1313302215 /nfs/dbraw/zinc/30/22/15/1313302215.db2.gz JKIPELGTLTWVEY-RBBKRZOGSA-N 2 3 341.543 2.972 20 0 EFADHP CC1(C[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC[NH2+]CC1 ZINC001235367612 1313303692 /nfs/dbraw/zinc/30/36/92/1313303692.db2.gz UGDXKJYUUVNCKF-FPOVZHCZSA-N 2 3 327.516 2.629 20 0 EFADHP CC1(C[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)CC[NH2+]CC1 ZINC001235367612 1313303694 /nfs/dbraw/zinc/30/36/94/1313303694.db2.gz UGDXKJYUUVNCKF-FPOVZHCZSA-N 2 3 327.516 2.629 20 0 EFADHP c1ccc([C@]23CCNC[C@@H]2C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC3)cc1 ZINC001235369726 1313304477 /nfs/dbraw/zinc/30/44/77/1313304477.db2.gz YZLWCBDSGSLDJF-CEWLAPEOSA-N 2 3 327.516 2.629 20 0 EFADHP c1ccc([C@]23CCNC[C@@H]2C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC3)cc1 ZINC001235369726 1313304480 /nfs/dbraw/zinc/30/44/80/1313304480.db2.gz YZLWCBDSGSLDJF-CEWLAPEOSA-N 2 3 327.516 2.629 20 0 EFADHP CC1(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]CC1 ZINC001236183926 1313452466 /nfs/dbraw/zinc/45/24/66/1313452466.db2.gz MYWKDQPYKMNAGP-VQTJNVASSA-N 2 3 327.516 2.830 20 0 EFADHP CC1(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]CC1 ZINC001236183926 1313452468 /nfs/dbraw/zinc/45/24/68/1313452468.db2.gz MYWKDQPYKMNAGP-VQTJNVASSA-N 2 3 327.516 2.830 20 0 EFADHP CC1(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]CC1 ZINC001236183928 1313452655 /nfs/dbraw/zinc/45/26/55/1313452655.db2.gz MYWKDQPYKMNAGP-WOJBJXKFSA-N 2 3 327.516 2.830 20 0 EFADHP CC1(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]CC1 ZINC001236183928 1313452659 /nfs/dbraw/zinc/45/26/59/1313452659.db2.gz MYWKDQPYKMNAGP-WOJBJXKFSA-N 2 3 327.516 2.830 20 0 EFADHP CC1(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC[NH2+]CC1 ZINC001236183925 1313452733 /nfs/dbraw/zinc/45/27/33/1313452733.db2.gz MYWKDQPYKMNAGP-UXHICEINSA-N 2 3 327.516 2.830 20 0 EFADHP CC1(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC[NH2+]CC1 ZINC001236183925 1313452737 /nfs/dbraw/zinc/45/27/37/1313452737.db2.gz MYWKDQPYKMNAGP-UXHICEINSA-N 2 3 327.516 2.830 20 0 EFADHP C[NH+](C)CCCOc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206540113 1313473224 /nfs/dbraw/zinc/47/32/24/1313473224.db2.gz ADCDVJVWKKHEJQ-HXUWFJFHSA-N 2 3 333.520 2.968 20 0 EFADHP CN(C)C1(CNc2ccc([C@@H]3CC[N@H+](C)C3)cc2)CC[NH+](C)CC1 ZINC001164215941 1312470469 /nfs/dbraw/zinc/47/04/69/1312470469.db2.gz PILNLHBBANEOLW-GOSISDBHSA-N 2 3 330.520 2.544 20 0 EFADHP CN(C)C1(CNc2ccc([C@@H]3CC[N@@H+](C)C3)cc2)CC[NH+](C)CC1 ZINC001164215941 1312470472 /nfs/dbraw/zinc/47/04/72/1312470472.db2.gz PILNLHBBANEOLW-GOSISDBHSA-N 2 3 330.520 2.544 20 0 EFADHP C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246178646 1314594322 /nfs/dbraw/zinc/59/43/22/1314594322.db2.gz OIKUKQJCNRXKHJ-ZWKOTPCHSA-N 2 3 335.536 2.580 20 0 EFADHP COc1ccccc1C1([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246373563 1314617763 /nfs/dbraw/zinc/61/77/63/1314617763.db2.gz AEARXHHGHXVVLE-YLJYHZDGSA-N 2 3 343.515 2.786 20 0 EFADHP COc1ccc(C2(N[C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246379369 1314619357 /nfs/dbraw/zinc/61/93/57/1314619357.db2.gz CXCBMZDSUQTWAA-AZUAARDMSA-N 2 3 343.515 2.786 20 0 EFADHP COc1ccc(C2(N[C@@H]3CCC4(C3)CC[NH2+]CC4)CC[NH2+]CC2)cc1 ZINC001246378971 1314619535 /nfs/dbraw/zinc/61/95/35/1314619535.db2.gz BNXKILIDYKTENX-GOSISDBHSA-N 2 3 343.515 2.786 20 0 EFADHP CC(C)[C@H]1C[C@@H](NCC2(c3cccc(F)c3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246385304 1314620159 /nfs/dbraw/zinc/62/01/59/1314620159.db2.gz CTGYFMIEQSXABX-RBUKOAKNSA-N 2 3 333.495 2.813 20 0 EFADHP CC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(OC)cc3)CC[NH2+]CC2)CCN1 ZINC001246388782 1314621281 /nfs/dbraw/zinc/62/12/81/1314621281.db2.gz OILPXSIGETVQRC-OALUTQOASA-N 2 3 345.531 2.728 20 0 EFADHP COc1ccc(CC2(C[NH2+]C3C[C@@H](C)N[C@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246390002 1314621934 /nfs/dbraw/zinc/62/19/34/1314621934.db2.gz RTCDDUWMOBAHKH-IAGOWNOFSA-N 2 3 345.531 2.726 20 0 EFADHP Clc1ccccc1CC1([NH2+][C@@H]2CCC3(C[NH2+]C3)C2)CCNCC1 ZINC001246396817 1314622634 /nfs/dbraw/zinc/62/26/34/1314622634.db2.gz ZUCHDPYQIUGYSN-MRXNPFEDSA-N 2 3 333.907 2.736 20 0 EFADHP CCCC[C@@H]1C[C@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246411569 1314625915 /nfs/dbraw/zinc/62/59/15/1314625915.db2.gz AQASNMANSWOSRZ-WOJBJXKFSA-N 2 3 344.547 2.894 20 0 EFADHP COc1ccccc1C1(CN[C@H]2CC[NH2+][C@H](C(C)C)C2)CC[NH2+]CC1 ZINC001246415880 1314626865 /nfs/dbraw/zinc/62/68/65/1314626865.db2.gz MWRUMKQQEPTBOE-HKUYNNGSSA-N 2 3 345.531 2.683 20 0 EFADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)CCN1 ZINC001246425518 1314627743 /nfs/dbraw/zinc/62/77/43/1314627743.db2.gz LLUVDYZBIOQZLF-QAPCUYQASA-N 2 3 335.923 2.982 20 0 EFADHP CC[C@H]1CC(NCC2(c3cccnc3)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246423891 1314627949 /nfs/dbraw/zinc/62/79/49/1314627949.db2.gz RNGYPMGRDWKPIT-ROUUACIJSA-N 2 3 330.520 2.602 20 0 EFADHP c1ccc(CC2([NH2+][C@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246460081 1314631210 /nfs/dbraw/zinc/63/12/10/1314631210.db2.gz MYHHVJFTZBXOKF-PMACEKPBSA-N 2 3 327.516 2.863 20 0 EFADHP c1ccc(CC2([NH2+][C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246460085 1314631527 /nfs/dbraw/zinc/63/15/27/1314631527.db2.gz MYHHVJFTZBXOKF-WOJBJXKFSA-N 2 3 327.516 2.863 20 0 EFADHP C[C@H](Cc1ccc(OC(F)(F)F)cc1)NCCC[NH2+]CCCC[NH3+] ZINC001246459663 1314631774 /nfs/dbraw/zinc/63/17/74/1314631774.db2.gz YBWVGNMXVNXSFV-CQSZACIVSA-N 2 3 347.425 2.824 20 0 EFADHP c1ccc(CC2([NH2+][C@@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)cc1 ZINC001246463187 1314631827 /nfs/dbraw/zinc/63/18/27/1314631827.db2.gz PVYTVLACPUWYRS-LJQANCHMSA-N 2 3 327.516 2.863 20 0 EFADHP c1ccc([C@H]2C[C@H](N3CCC(OC4CC[NH2+]CC4)CC3)CC[NH2+]2)cc1 ZINC001246663580 1314666512 /nfs/dbraw/zinc/66/65/12/1314666512.db2.gz OOHNLTRJEITQGC-WIYYLYMNSA-N 2 3 343.515 2.713 20 0 EFADHP Cc1cc(F)cc(C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)c1 ZINC001246952849 1314713963 /nfs/dbraw/zinc/71/39/63/1314713963.db2.gz YATDLOGXVXTMFA-YRWFTTLQSA-N 2 3 331.479 2.686 20 0 EFADHP Cc1cc(F)cc(C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)c1 ZINC001246952849 1314713966 /nfs/dbraw/zinc/71/39/66/1314713966.db2.gz YATDLOGXVXTMFA-YRWFTTLQSA-N 2 3 331.479 2.686 20 0 EFADHP c1ccc(CN(C2CC[NH2+]CC2)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)nc1 ZINC001246955907 1314714957 /nfs/dbraw/zinc/71/49/57/1314714957.db2.gz VNTLMIYPFQNJDI-PMACEKPBSA-N 2 3 328.504 2.558 20 0 EFADHP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCP(C(C)C)C(C)C ZINC001221256713 1315498681 /nfs/dbraw/zinc/49/86/81/1315498681.db2.gz JQHWGINSXQSURH-INIZCTEOSA-N 2 3 331.485 2.897 20 0 EFADHP CC(C)(C)[PH+](CCCNC(=O)[C@@H](N)CSCC[NH3+])C(C)(C)C ZINC001221274350 1315500304 /nfs/dbraw/zinc/50/03/04/1315500304.db2.gz ZWKBFJRTDOIVHL-ZDUSSCGKSA-N 2 3 349.525 2.591 20 0 EFADHP CC[NH+](CC)C[C@@H](O)CNCC1CC[NH+](CC2CCCCC2)CC1 ZINC001253213205 1315581815 /nfs/dbraw/zinc/58/18/15/1315581815.db2.gz RNOJTNOODIXTOB-FQEVSTJZSA-N 2 3 339.568 2.571 20 0 EFADHP Cc1ccc(CN2C[C@@H]3C[NH+]([C@H]4CCC[N@@H+](C)CC4)C[C@H]3C2)cc1 ZINC001254519297 1315714023 /nfs/dbraw/zinc/71/40/23/1315714023.db2.gz RYOABLUVSFKVJT-NJYVYQBISA-N 2 3 327.516 2.843 20 0 EFADHP Cc1ccc(CN2C[C@@H]3C[NH+]([C@H]4CCC[N@H+](C)CC4)C[C@H]3C2)cc1 ZINC001254519297 1315714025 /nfs/dbraw/zinc/71/40/25/1315714025.db2.gz RYOABLUVSFKVJT-NJYVYQBISA-N 2 3 327.516 2.843 20 0 EFADHP CCN(CC)CC[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001255949533 1315883817 /nfs/dbraw/zinc/88/38/17/1315883817.db2.gz XVEWRWUQLCNESY-LJQANCHMSA-N 2 3 347.547 2.724 20 0 EFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256677753 1315980320 /nfs/dbraw/zinc/98/03/20/1315980320.db2.gz IBWVAVNMNBBJDQ-VCWRXUFXSA-N 2 3 337.552 2.587 20 0 EFADHP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256677753 1315980322 /nfs/dbraw/zinc/98/03/22/1315980322.db2.gz IBWVAVNMNBBJDQ-VCWRXUFXSA-N 2 3 337.552 2.587 20 0 EFADHP CC1(C)C[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C[C@](C)(C[NH3+])C1 ZINC001256683111 1315980680 /nfs/dbraw/zinc/98/06/80/1315980680.db2.gz SANMABUSIRZDTE-NIAPBTPMSA-N 2 3 337.552 2.763 20 0 EFADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001258905644 1316190864 /nfs/dbraw/zinc/19/08/64/1316190864.db2.gz VJKDOCAZAMPHNQ-FHWLQOOXSA-N 2 3 325.541 2.730 20 0 EFADHP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC001553292747 1414763552 /nfs/dbraw/zinc/76/35/52/1414763552.db2.gz PPPOAQXVRJNGJV-ZPYIRMGQSA-N 2 3 339.527 2.731 20 0 EFADHP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC001553292747 1414763554 /nfs/dbraw/zinc/76/35/54/1414763554.db2.gz PPPOAQXVRJNGJV-ZPYIRMGQSA-N 2 3 339.527 2.731 20 0 EFADHP CC(C)CCN1CCC([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000925440697 728764479 /nfs/dbraw/zinc/76/44/79/728764479.db2.gz UBUFYOZTMBRJCQ-RTBURBONSA-N 2 3 339.568 2.976 20 0 EFADHP CN1CCC[C@@H]1CC[NH+]1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC001578529627 1090391998 /nfs/dbraw/zinc/39/19/98/1090391998.db2.gz VYRRADCPPVOVBS-AEFFLSMTSA-N 2 3 329.488 2.788 20 0 EFADHP C[NH+](C)C1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC001168305073 1106467767 /nfs/dbraw/zinc/46/77/67/1106467767.db2.gz HFKNSXHOJULWGM-UHFFFAOYSA-N 2 3 330.520 2.756 20 0 EFADHP C[NH+](C)C1CCC([NH2+]CC2CCN(Cc3ccccn3)CC2)CC1 ZINC001168305557 1106475311 /nfs/dbraw/zinc/47/53/11/1106475311.db2.gz MSUIWMIXIYEGPT-UHFFFAOYSA-N 2 3 330.520 2.756 20 0 EFADHP COc1cccc(CC2([NH3+])CCN(C3CCC([NH+](C)C)CC3)CC2)c1 ZINC001168306097 1106480308 /nfs/dbraw/zinc/48/03/08/1106480308.db2.gz QCZXKBNTMYFTDV-UHFFFAOYSA-N 2 3 345.531 2.904 20 0 EFADHP C[C@H]([NH3+])[C@H]1CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000435382657 248234598 /nfs/dbraw/zinc/23/45/98/248234598.db2.gz DZHPRZAFZSECHN-ROUUACIJSA-N 2 3 344.547 2.776 20 0 EFADHP C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000165345696 544847279 /nfs/dbraw/zinc/84/72/79/544847279.db2.gz POQXDCLZNKSESP-UYAOXDASSA-N 2 3 329.532 2.871 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422782900 278228904 /nfs/dbraw/zinc/22/89/04/278228904.db2.gz NQXIISWUGGACHM-DZFGPLHGSA-N 2 3 345.531 2.905 20 0 EFADHP CN(C)CC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000423040556 282075426 /nfs/dbraw/zinc/07/54/26/282075426.db2.gz UPZGVJQUKQKZPU-GHTZIAJQSA-N 2 3 343.515 2.954 20 0 EFADHP CN(C)CC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000423040559 289094432 /nfs/dbraw/zinc/09/44/32/289094432.db2.gz UPZGVJQUKQKZPU-WIYYLYMNSA-N 2 3 343.515 2.954 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422823692 312410614 /nfs/dbraw/zinc/41/06/14/312410614.db2.gz DWILOMFXYOQGCV-IOMROCGXSA-N 2 3 345.531 2.905 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000566089491 319030885 /nfs/dbraw/zinc/03/08/85/319030885.db2.gz CZNYHCGXEMHWTG-SQBLYHGDSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000566089491 319030887 /nfs/dbraw/zinc/03/08/87/319030887.db2.gz CZNYHCGXEMHWTG-SQBLYHGDSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000566089488 319031279 /nfs/dbraw/zinc/03/12/79/319031279.db2.gz CZNYHCGXEMHWTG-DEPWHIHDSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000566089488 319031281 /nfs/dbraw/zinc/03/12/81/319031281.db2.gz CZNYHCGXEMHWTG-DEPWHIHDSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000568499311 319289935 /nfs/dbraw/zinc/28/99/35/319289935.db2.gz GPPKHECPKIJOAG-DUXKGJEZSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000571073184 319540239 /nfs/dbraw/zinc/54/02/39/319540239.db2.gz CGPRDYYSKBIZHW-YYWHXJBOSA-N 2 3 345.531 2.905 20 0 EFADHP CC[NH+](CC)CCOC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000583817603 324878011 /nfs/dbraw/zinc/87/80/11/324878011.db2.gz SKTJVAXADQJTJL-UHFFFAOYSA-N 2 3 345.531 2.655 20 0 EFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3CN)CC2)cc1 ZINC000422777511 476771077 /nfs/dbraw/zinc/77/10/77/476771077.db2.gz FOJQQNVCBIUOLZ-UYAOXDASSA-N 2 3 331.504 2.624 20 0 EFADHP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000422858545 476813489 /nfs/dbraw/zinc/81/34/89/476813489.db2.gz IYYGTXXGFWSFOB-SGLNWRHMSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000422858545 476813499 /nfs/dbraw/zinc/81/34/99/476813499.db2.gz IYYGTXXGFWSFOB-SGLNWRHMSA-N 2 3 345.531 2.760 20 0 EFADHP N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422907066 476841809 /nfs/dbraw/zinc/84/18/09/476841809.db2.gz AUMRGHVJYDRISN-VQTJNVASSA-N 2 3 331.504 2.911 20 0 EFADHP c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)ccn1 ZINC000422992389 476883127 /nfs/dbraw/zinc/88/31/27/476883127.db2.gz PYGYHUTUFRIRHM-SLFFLAALSA-N 2 3 328.504 2.808 20 0 EFADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000423010896 476892037 /nfs/dbraw/zinc/89/20/37/476892037.db2.gz ADZJRSBSCPRGRI-PZJWPPBQSA-N 2 3 345.531 2.811 20 0 EFADHP C[C@H](C[C@H](C)[NH3+])NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000423016400 476893743 /nfs/dbraw/zinc/89/37/43/476893743.db2.gz MPZPPETXAQJYBX-ZSYWTGECSA-N 2 3 347.547 2.911 20 0 EFADHP C[C@H](C[C@H](C)[NH3+])NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000423016400 476893750 /nfs/dbraw/zinc/89/37/50/476893750.db2.gz MPZPPETXAQJYBX-ZSYWTGECSA-N 2 3 347.547 2.911 20 0 EFADHP C[C@H](C[C@H](C)N)[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000423016400 476893757 /nfs/dbraw/zinc/89/37/57/476893757.db2.gz MPZPPETXAQJYBX-ZSYWTGECSA-N 2 3 347.547 2.911 20 0 EFADHP C[C@H](C[C@H](C)N)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000423016400 476893763 /nfs/dbraw/zinc/89/37/63/476893763.db2.gz MPZPPETXAQJYBX-ZSYWTGECSA-N 2 3 347.547 2.911 20 0 EFADHP CN1CCC(Oc2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2)CC1 ZINC000423107717 476930715 /nfs/dbraw/zinc/93/07/15/476930715.db2.gz QBSYKIURPZSLPW-UHFFFAOYSA-N 2 3 331.504 2.767 20 0 EFADHP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000423137768 476942317 /nfs/dbraw/zinc/94/23/17/476942317.db2.gz RLUIYWBQXZJVHQ-QUCCMNQESA-N 2 3 345.531 2.632 20 0 EFADHP c1ccc(C[N@H+]2CC[C@@H](NCC3=CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423360541 477004697 /nfs/dbraw/zinc/00/46/97/477004697.db2.gz WCVZEXLWRKVKPF-NJDAHSKKSA-N 2 3 325.500 2.939 20 0 EFADHP c1ccc(C[N@@H+]2CC[C@@H](NCC3=CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423360541 477004702 /nfs/dbraw/zinc/00/47/02/477004702.db2.gz WCVZEXLWRKVKPF-NJDAHSKKSA-N 2 3 325.500 2.939 20 0 EFADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(OCCN(C)C)c1 ZINC000423555626 477069666 /nfs/dbraw/zinc/06/96/66/477069666.db2.gz YFOUMNUDAUARQG-JCHJZTRSSA-N 2 3 331.504 2.666 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000516562395 477951046 /nfs/dbraw/zinc/95/10/46/477951046.db2.gz UYBDYZYOHMSLBX-IOMROCGXSA-N 2 3 345.531 2.760 20 0 EFADHP Cc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000533101601 478035360 /nfs/dbraw/zinc/03/53/60/478035360.db2.gz QAXVCPWZMZDINO-SRABZTEZSA-N 2 3 346.523 2.574 20 0 EFADHP Cc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000533101601 478035364 /nfs/dbraw/zinc/03/53/64/478035364.db2.gz QAXVCPWZMZDINO-SRABZTEZSA-N 2 3 346.523 2.574 20 0 EFADHP Cc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(N[C@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000533101601 478035373 /nfs/dbraw/zinc/03/53/73/478035373.db2.gz QAXVCPWZMZDINO-SRABZTEZSA-N 2 3 346.523 2.574 20 0 EFADHP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(N[C@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000533101601 478035375 /nfs/dbraw/zinc/03/53/75/478035375.db2.gz QAXVCPWZMZDINO-SRABZTEZSA-N 2 3 346.523 2.574 20 0 EFADHP c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647785921 481105212 /nfs/dbraw/zinc/10/52/12/481105212.db2.gz GEVHJHWQSWJFIH-MXEMCNAFSA-N 2 3 327.516 2.529 20 0 EFADHP C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CC[NH+](C2CCOCC2)CC1 ZINC000665233525 481735520 /nfs/dbraw/zinc/73/55/20/481735520.db2.gz JSEVTUALEMLFEP-NJYVYQBISA-N 2 3 349.563 2.778 20 0 EFADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000663492916 482264368 /nfs/dbraw/zinc/26/43/68/482264368.db2.gz DWCGRRASUWBFDJ-PBASOCQRSA-N 2 3 329.532 2.904 20 0 EFADHP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000663492916 482264370 /nfs/dbraw/zinc/26/43/70/482264370.db2.gz DWCGRRASUWBFDJ-PBASOCQRSA-N 2 3 329.532 2.904 20 0 EFADHP C[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000671302491 547553068 /nfs/dbraw/zinc/55/30/68/547553068.db2.gz VAHHUSFHYAUBHJ-QGZVFWFLSA-N 2 3 345.531 2.980 20 0 EFADHP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685470511 550155685 /nfs/dbraw/zinc/15/56/85/550155685.db2.gz ZXOLEPKSNWONBL-WIYYLYMNSA-N 2 3 345.531 2.933 20 0 EFADHP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685470511 550155689 /nfs/dbraw/zinc/15/56/89/550155689.db2.gz ZXOLEPKSNWONBL-WIYYLYMNSA-N 2 3 345.531 2.933 20 0 EFADHP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169118253 1272675008 /nfs/dbraw/zinc/67/50/08/1272675008.db2.gz FWEWIRYZNFTQAC-GBWWWVLNSA-N 2 3 328.504 2.779 20 0 EFADHP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169118253 1272675014 /nfs/dbraw/zinc/67/50/14/1272675014.db2.gz FWEWIRYZNFTQAC-GBWWWVLNSA-N 2 3 328.504 2.779 20 0 EFADHP C[NH+](C)CC[C@@H](c1ccc(N[C@@H](N)CCC[NH3+])cc1)c1ccccn1 ZINC001170900939 1276508508 /nfs/dbraw/zinc/50/85/08/1276508508.db2.gz RPPREOSPURYSCH-AZUAARDMSA-N 2 3 341.503 2.601 20 0 EFADHP C[NH+](C)CC[C@H](c1ccc(N[C@H](N)CCC[NH3+])cc1)c1ccccn1 ZINC001170900941 1276508949 /nfs/dbraw/zinc/50/89/49/1276508949.db2.gz RPPREOSPURYSCH-QUCCMNQESA-N 2 3 341.503 2.601 20 0 EFADHP c1ccc([C@@]23CCNC[C@@H]2C[N@H+](CCC2CC[NH2+]CC2)CC3)cc1 ZINC001235362786 1313301752 /nfs/dbraw/zinc/30/17/52/1313301752.db2.gz NIUMYHWSSJQDFC-RTWAWAEBSA-N 2 3 327.516 2.629 20 0 EFADHP c1ccc([C@@]23CCNC[C@@H]2C[N@@H+](CCC2CC[NH2+]CC2)CC3)cc1 ZINC001235362786 1313301756 /nfs/dbraw/zinc/30/17/56/1313301756.db2.gz NIUMYHWSSJQDFC-RTWAWAEBSA-N 2 3 327.516 2.629 20 0 EFADHP CC[NH+]1CCC(C[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235366743 1313303310 /nfs/dbraw/zinc/30/33/10/1313303310.db2.gz RNXUYKAEUOUBCT-FGZHOGPDSA-N 2 3 341.543 2.972 20 0 EFADHP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235366743 1313303313 /nfs/dbraw/zinc/30/33/13/1313303313.db2.gz RNXUYKAEUOUBCT-FGZHOGPDSA-N 2 3 341.543 2.972 20 0 EFADHP CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CCCC[NH3+])CC2 ZINC001235525764 1313344581 /nfs/dbraw/zinc/34/45/81/1313344581.db2.gz LHMTVTORMAZXCZ-MRXNPFEDSA-N 2 3 337.533 2.542 20 0 EFADHP c1nc(C[NH2+]C2CCCC2)c2n1CCCN(CCC1CC[NH2+]CC1)C2 ZINC001235645588 1313366268 /nfs/dbraw/zinc/36/62/68/1313366268.db2.gz HLHOBIKWAYCBOS-UHFFFAOYSA-N 2 3 345.535 2.511 20 0 EFADHP CC[NH+]1CCC(CC2CC[NH+](Cc3ccc4n3CCNC4)CC2)CC1 ZINC001236193323 1313454263 /nfs/dbraw/zinc/45/42/63/1313454263.db2.gz JVRZUZVDQHOICU-UHFFFAOYSA-N 2 3 344.547 2.925 20 0 EFADHP Fc1ccc(C2(C[NH2+][C@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)cc1 ZINC001246214540 1314598875 /nfs/dbraw/zinc/59/88/75/1314598875.db2.gz UGXRMJKVPOHLNG-SFHVURJKSA-N 2 3 331.479 2.711 20 0 EFADHP COc1ccccc1C1([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246373558 1314617729 /nfs/dbraw/zinc/61/77/29/1314617729.db2.gz AEARXHHGHXVVLE-FXAWDEMLSA-N 2 3 343.515 2.786 20 0 EFADHP COc1ccccc1C1([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCNCC1 ZINC001246376042 1314618254 /nfs/dbraw/zinc/61/82/54/1314618254.db2.gz KFDSJDSAFWFZMY-QGZVFWFLSA-N 2 3 343.515 2.786 20 0 EFADHP CC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246383532 1314619892 /nfs/dbraw/zinc/61/98/92/1314619892.db2.gz GROODYGAFPDRFD-OALUTQOASA-N 2 3 333.495 2.858 20 0 EFADHP FC(F)(F)c1cccc(C2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)c1 ZINC001246383130 1314620445 /nfs/dbraw/zinc/62/04/45/1314620445.db2.gz GTKLVEZJVQDNAA-UHFFFAOYSA-N 2 3 341.421 2.668 20 0 EFADHP COc1ccccc1CN([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246394721 1314623143 /nfs/dbraw/zinc/62/31/43/1314623143.db2.gz JKIKVCQNINZFGZ-WNHJNPCNSA-N 2 3 331.504 2.908 20 0 EFADHP COc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN[C@@H](C)C1 ZINC001246394721 1314623148 /nfs/dbraw/zinc/62/31/48/1314623148.db2.gz JKIKVCQNINZFGZ-WNHJNPCNSA-N 2 3 331.504 2.908 20 0 EFADHP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN[C@@H](C)C1 ZINC001246394721 1314623150 /nfs/dbraw/zinc/62/31/50/1314623150.db2.gz JKIKVCQNINZFGZ-WNHJNPCNSA-N 2 3 331.504 2.908 20 0 EFADHP COc1ccccc1C1(CN[C@@H]2CC[NH2+][C@H](C(C)C)C2)CC[NH2+]CC1 ZINC001246415884 1314626632 /nfs/dbraw/zinc/62/66/32/1314626632.db2.gz MWRUMKQQEPTBOE-MJGOQNOKSA-N 2 3 345.531 2.683 20 0 EFADHP CC[C@@H]1C[C@@H](NCC2(c3ccccn3)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246428009 1314627858 /nfs/dbraw/zinc/62/78/58/1314627858.db2.gz OFXGZJVCXBXANZ-BCDXTJNWSA-N 2 3 330.520 2.602 20 0 EFADHP CC[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246431223 1314628251 /nfs/dbraw/zinc/62/82/51/1314628251.db2.gz CQNYRLIJKRATCJ-ZWKOTPCHSA-N 2 3 333.495 2.858 20 0 EFADHP Fc1ccccc1C1([NH2+]C2CCC3(CC[NH2+]C3)CC2)CCNCC1 ZINC001246434524 1314629166 /nfs/dbraw/zinc/62/91/66/1314629166.db2.gz FYXCASBKKHRATR-UHFFFAOYSA-N 2 3 331.479 2.916 20 0 EFADHP Clc1ccccc1C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246443789 1314630008 /nfs/dbraw/zinc/63/00/08/1314630008.db2.gz CRUNBMJMKWXKRC-ZSHCYNCHSA-N 2 3 333.907 2.834 20 0 EFADHP COc1ccc(Cl)c2c1C[C@@H](NCCC[NH2+]CCCC[NH3+])CC2 ZINC001246458739 1314631192 /nfs/dbraw/zinc/63/11/92/1314631192.db2.gz UTBMPUFNHJJKIA-AWEZNQCLSA-N 2 3 339.911 2.514 20 0 EFADHP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCCC[NH2+]CCCC[NH3+] ZINC001246459662 1314631202 /nfs/dbraw/zinc/63/12/02/1314631202.db2.gz YBWVGNMXVNXSFV-AWEZNQCLSA-N 2 3 347.425 2.824 20 0 EFADHP c1ccc2c(c1)C[NH2+]CC21CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246640421 1314661939 /nfs/dbraw/zinc/66/19/39/1314661939.db2.gz UASLGINIVHJJER-REPLKXPHSA-N 2 3 325.500 2.797 20 0 EFADHP CC(C)[C@@H]1C[C@@H](N2CCC3(CC2)C[NH2+]Cc2ccccc23)CC[NH2+]1 ZINC001246640764 1314662280 /nfs/dbraw/zinc/66/22/80/1314662280.db2.gz VXCFLHDUUVYFQD-ICSRJNTNSA-N 2 3 327.516 2.900 20 0 EFADHP Cc1ccc(C[NH+]2C[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@H]3C2)cc1 ZINC001246712272 1314674884 /nfs/dbraw/zinc/67/48/84/1314674884.db2.gz ZFXGQIDLELKPJP-APISQKPESA-N 2 3 325.500 2.642 20 0 EFADHP CC(C)[C@@H]1C[C@H](N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246805910 1314686217 /nfs/dbraw/zinc/68/62/17/1314686217.db2.gz LFICKHXJNSBQDT-NCYKPQTJSA-N 2 3 327.516 2.827 20 0 EFADHP Cc1ccc(F)cc1C[N@H+]([C@H]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCNCC1 ZINC001246956048 1314714590 /nfs/dbraw/zinc/71/45/90/1314714590.db2.gz QBDKTVKHSGVXLU-CWPLJXCYSA-N 2 3 331.479 2.686 20 0 EFADHP Cc1ccc(F)cc1C[N@@H+]([C@H]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCNCC1 ZINC001246956048 1314714596 /nfs/dbraw/zinc/71/45/96/1314714596.db2.gz QBDKTVKHSGVXLU-CWPLJXCYSA-N 2 3 331.479 2.686 20 0 EFADHP c1ccc(CN(C2CC[NH2+]CC2)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC001246955910 1314714974 /nfs/dbraw/zinc/71/49/74/1314714974.db2.gz VNTLMIYPFQNJDI-VQTJNVASSA-N 2 3 328.504 2.558 20 0 EFADHP COc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@H](C)C2)cc1 ZINC001246962748 1314716913 /nfs/dbraw/zinc/71/69/13/1314716913.db2.gz DHWDLPATJKFCNS-OWYHZJEWSA-N 2 3 331.504 2.908 20 0 EFADHP COc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@H](C)C2)cc1 ZINC001246962748 1314716917 /nfs/dbraw/zinc/71/69/17/1314716917.db2.gz DHWDLPATJKFCNS-OWYHZJEWSA-N 2 3 331.504 2.908 20 0 EFADHP CCN(CC)CC[C@@H](C)[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952978 1315883954 /nfs/dbraw/zinc/88/39/54/1315883954.db2.gz PQNBFUOCYUAFRC-KZNAEPCWSA-N 2 3 325.541 2.858 20 0 EFADHP CCN(CC)CC[C@@H](C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952978 1315883957 /nfs/dbraw/zinc/88/39/57/1315883957.db2.gz PQNBFUOCYUAFRC-KZNAEPCWSA-N 2 3 325.541 2.858 20 0 EFADHP C[C@@H]1C[C@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256561300 1315960284 /nfs/dbraw/zinc/96/02/84/1315960284.db2.gz XCRVZQIIDDSXOO-CWJKEVGVSA-N 2 3 327.516 2.923 20 0 EFADHP C[C@@H]1C[C@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256561300 1315960288 /nfs/dbraw/zinc/96/02/88/1315960288.db2.gz XCRVZQIIDDSXOO-CWJKEVGVSA-N 2 3 327.516 2.923 20 0 EFADHP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256677751 1315980335 /nfs/dbraw/zinc/98/03/35/1315980335.db2.gz IBWVAVNMNBBJDQ-VCAKUFKGSA-N 2 3 337.552 2.587 20 0 EFADHP C[NH+](C)Cc1ccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256682443 1315980930 /nfs/dbraw/zinc/98/09/30/1315980930.db2.gz JANIWWFVPUATKP-UHFFFAOYSA-N 2 3 345.531 2.524 20 0 EFADHP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687902 1315982399 /nfs/dbraw/zinc/98/23/99/1315982399.db2.gz KIODITHVEJZTDW-ZRBGYOJFSA-N 2 3 337.552 2.872 20 0 EFADHP CC(C)CN1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001258008596 1316109577 /nfs/dbraw/zinc/10/95/77/1316109577.db2.gz YNXXAPUUHYFYBA-UHFFFAOYSA-N 2 3 337.552 2.587 20 0 EFADHP C(C[NH+]1CCCC1)OCC1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373774 1103425126 /nfs/dbraw/zinc/42/51/26/1103425126.db2.gz UIUYEDMNAHNGNI-UHFFFAOYSA-N 2 3 349.563 2.685 20 0 EFADHP CC(C)(C)CC[C@H]([NH3+])CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000904373344 1107868527 /nfs/dbraw/zinc/86/85/27/1107868527.db2.gz PDUBUQZOQAOCTA-IBGZPJMESA-N 2 3 346.563 2.723 20 0 EFADHP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000423432871 299401223 /nfs/dbraw/zinc/40/12/23/299401223.db2.gz JNFBIWHYCUDABB-RYGJVYDSSA-N 2 3 331.504 2.666 20 0 EFADHP CC[NH+](CC)CCOCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000349672419 142346954 /nfs/dbraw/zinc/34/69/54/142346954.db2.gz XRBGFKCBQQDXRB-UHFFFAOYSA-N 2 3 325.541 2.732 20 0 EFADHP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000356875326 147360024 /nfs/dbraw/zinc/36/00/24/147360024.db2.gz YSYHNGANAMTFRX-PXNSSMCTSA-N 2 3 331.504 2.591 20 0 EFADHP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000356875326 147360026 /nfs/dbraw/zinc/36/00/26/147360026.db2.gz YSYHNGANAMTFRX-PXNSSMCTSA-N 2 3 331.504 2.591 20 0 EFADHP CCCN1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000120634506 544588454 /nfs/dbraw/zinc/58/84/54/544588454.db2.gz PFDOMRPWQHYDCB-NRFANRHFSA-N 2 3 345.531 2.607 20 0 EFADHP CCCN1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000120634506 544588458 /nfs/dbraw/zinc/58/84/58/544588458.db2.gz PFDOMRPWQHYDCB-NRFANRHFSA-N 2 3 345.531 2.607 20 0 EFADHP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000272569173 266310919 /nfs/dbraw/zinc/31/09/19/266310919.db2.gz OSNJXHPVOOEOFG-PWRODBHTSA-N 2 3 325.500 2.749 20 0 EFADHP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000272569173 266310920 /nfs/dbraw/zinc/31/09/20/266310920.db2.gz OSNJXHPVOOEOFG-PWRODBHTSA-N 2 3 325.500 2.749 20 0 EFADHP C[C@@H]1CN(CCC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000420318191 288156861 /nfs/dbraw/zinc/15/68/61/288156861.db2.gz NUMFLUBWJNOIJG-NSHGMRRFSA-N 2 3 337.552 2.587 20 0 EFADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4C[C@H]4C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000415005168 312075989 /nfs/dbraw/zinc/07/59/89/312075989.db2.gz IRWGQMXBFYOHOK-KNOXWWKRSA-N 2 3 339.527 2.875 20 0 EFADHP CN(c1ccccc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)C1CCN(C)CC1 ZINC000415012460 312077295 /nfs/dbraw/zinc/07/72/95/312077295.db2.gz XHGBOZGNTSVDJH-MJGOQNOKSA-N 2 3 344.547 2.824 20 0 EFADHP C[C@@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000516562393 315686011 /nfs/dbraw/zinc/68/60/11/315686011.db2.gz UYBDYZYOHMSLBX-DUXKGJEZSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000516562396 315686039 /nfs/dbraw/zinc/68/60/39/315686039.db2.gz UYBDYZYOHMSLBX-JRGCBEDISA-N 2 3 345.531 2.760 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000568499313 319289697 /nfs/dbraw/zinc/28/96/97/319289697.db2.gz GPPKHECPKIJOAG-IOMROCGXSA-N 2 3 345.531 2.760 20 0 EFADHP COCC[N@H+](C)CCCC1CCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000154406376 472429317 /nfs/dbraw/zinc/42/93/17/472429317.db2.gz HFUHAZHWNUNIJE-LJQANCHMSA-N 2 3 325.541 2.541 20 0 EFADHP COCC[N@@H+](C)CCCC1CCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000154406376 472429324 /nfs/dbraw/zinc/42/93/24/472429324.db2.gz HFUHAZHWNUNIJE-LJQANCHMSA-N 2 3 325.541 2.541 20 0 EFADHP COCC[NH+](C)CCCC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000154406376 472429326 /nfs/dbraw/zinc/42/93/26/472429326.db2.gz HFUHAZHWNUNIJE-LJQANCHMSA-N 2 3 325.541 2.541 20 0 EFADHP COCC[NH+](C)CCCC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000154406376 472429333 /nfs/dbraw/zinc/42/93/33/472429333.db2.gz HFUHAZHWNUNIJE-LJQANCHMSA-N 2 3 325.541 2.541 20 0 EFADHP CCCN1CCC([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000236779202 474287941 /nfs/dbraw/zinc/28/79/41/474287941.db2.gz DWYAOWMFFPCTPB-UHFFFAOYSA-N 2 3 333.520 2.981 20 0 EFADHP CC(C)[NH+]1CCC(O)(CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000358820710 475966729 /nfs/dbraw/zinc/96/67/29/475966729.db2.gz LQURLAQOSSRHCB-UHFFFAOYSA-N 2 3 337.552 2.608 20 0 EFADHP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000358820710 475966735 /nfs/dbraw/zinc/96/67/35/475966735.db2.gz LQURLAQOSSRHCB-UHFFFAOYSA-N 2 3 337.552 2.608 20 0 EFADHP CCN1CCN(c2ccccc2C[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000350216097 476098071 /nfs/dbraw/zinc/09/80/71/476098071.db2.gz HHISJTNPSPBANF-UHFFFAOYSA-N 2 3 344.547 2.602 20 0 EFADHP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000422723260 476745102 /nfs/dbraw/zinc/74/51/02/476745102.db2.gz QQRUIMHBMUPURW-FPOVZHCZSA-N 2 3 341.499 2.706 20 0 EFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCNCC[C@@H]3C)CC2)cc1 ZINC000422775499 476770999 /nfs/dbraw/zinc/77/09/99/476770999.db2.gz ANYNXCCBXGEYJK-LAUBAEHRSA-N 2 3 345.531 2.885 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422782901 476772817 /nfs/dbraw/zinc/77/28/17/476772817.db2.gz NQXIISWUGGACHM-IOMROCGXSA-N 2 3 345.531 2.905 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422787507 476774052 /nfs/dbraw/zinc/77/40/52/476774052.db2.gz MJKXDGLSCHVKKR-DBVUQKKJSA-N 2 3 331.504 2.514 20 0 EFADHP NC[C@@H]1CCC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422817419 476791462 /nfs/dbraw/zinc/79/14/62/476791462.db2.gz HPNPMXPWVNVUPY-PZJWPPBQSA-N 2 3 345.531 2.775 20 0 EFADHP C[C@H]1CC[NH2+]C[C@@H]1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422821465 476795706 /nfs/dbraw/zinc/79/57/06/476795706.db2.gz WJOPNORHMQPPMN-RXVVDRJESA-N 2 3 345.531 2.645 20 0 EFADHP N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422907067 476841179 /nfs/dbraw/zinc/84/11/79/476841179.db2.gz AUMRGHVJYDRISN-WOJBJXKFSA-N 2 3 331.504 2.911 20 0 EFADHP [NH3+]CC1CCC([NH2+]CCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000422944470 476859170 /nfs/dbraw/zinc/85/91/70/476859170.db2.gz MHKDMJVKLJDUOF-UHFFFAOYSA-N 2 3 344.547 2.696 20 0 EFADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422998153 476885033 /nfs/dbraw/zinc/88/50/33/476885033.db2.gz CJYKIUKDEXHSST-WJRACZLCSA-N 2 3 345.531 2.629 20 0 EFADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422998153 476885039 /nfs/dbraw/zinc/88/50/39/476885039.db2.gz CJYKIUKDEXHSST-WJRACZLCSA-N 2 3 345.531 2.629 20 0 EFADHP C[C@@H]1C[C@H](C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000414702279 476888968 /nfs/dbraw/zinc/88/89/68/476888968.db2.gz IFOVDKOUDUMOMP-FTEYMNFISA-N 2 3 337.552 2.586 20 0 EFADHP NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000423010894 476891068 /nfs/dbraw/zinc/89/10/68/476891068.db2.gz ADZJRSBSCPRGRI-CTNGQTDRSA-N 2 3 345.531 2.811 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000516562394 477950628 /nfs/dbraw/zinc/95/06/28/477950628.db2.gz UYBDYZYOHMSLBX-DZFGPLHGSA-N 2 3 345.531 2.760 20 0 EFADHP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CC[NH+](C2CCOCC2)CC1 ZINC000665233524 481736219 /nfs/dbraw/zinc/73/62/19/481736219.db2.gz JSEVTUALEMLFEP-NJDAHSKKSA-N 2 3 349.563 2.778 20 0 EFADHP CCCN1CCN(c2ccccc2C[NH+]2CCC(C[NH2+]C)CC2)CC1 ZINC000435381589 534934084 /nfs/dbraw/zinc/93/40/84/534934084.db2.gz UUJWDOQGKYFIDE-UHFFFAOYSA-N 2 3 344.547 2.650 20 0 EFADHP [NH3+]CCc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817948810 1276391062 /nfs/dbraw/zinc/39/10/62/1276391062.db2.gz LPNQNFWIWCFDDG-FPOVZHCZSA-N 2 3 337.467 2.533 20 0 EFADHP c1ccc(C[NH+]2CCC(CN3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001234989678 1313218341 /nfs/dbraw/zinc/21/83/41/1313218341.db2.gz BEHGIRWAQGMQOP-OAQYLSRUSA-N 2 3 327.516 2.974 20 0 EFADHP COc1ccc2c(c1)C1(CC[NH2+]CC1)N(CC1(C)CC[NH2+]CC1)CC2 ZINC001235018587 1313225210 /nfs/dbraw/zinc/22/52/10/1313225210.db2.gz JVWFBURLWRRXBR-UHFFFAOYSA-N 2 3 343.515 2.522 20 0 EFADHP c1ccc([C@@]23CCNC[C@H]2C[N@H+](CCC2CC[NH2+]CC2)CC3)cc1 ZINC001235362787 1313302014 /nfs/dbraw/zinc/30/20/14/1313302014.db2.gz NIUMYHWSSJQDFC-SFTDATJTSA-N 2 3 327.516 2.629 20 0 EFADHP c1ccc([C@@]23CCNC[C@H]2C[N@@H+](CCC2CC[NH2+]CC2)CC3)cc1 ZINC001235362787 1313302018 /nfs/dbraw/zinc/30/20/18/1313302018.db2.gz NIUMYHWSSJQDFC-SFTDATJTSA-N 2 3 327.516 2.629 20 0 EFADHP CC[NH+]1CCC(C[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235366739 1313303251 /nfs/dbraw/zinc/30/32/51/1313303251.db2.gz RNXUYKAEUOUBCT-FCHUYYIVSA-N 2 3 341.543 2.972 20 0 EFADHP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC1 ZINC001235366739 1313303254 /nfs/dbraw/zinc/30/32/54/1313303254.db2.gz RNXUYKAEUOUBCT-FCHUYYIVSA-N 2 3 341.543 2.972 20 0 EFADHP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001276491064 1313486308 /nfs/dbraw/zinc/48/63/08/1313486308.db2.gz AWYBCNUIBWEUIG-BGYRXZFFSA-N 2 3 344.547 2.890 20 0 EFADHP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001276491064 1313486312 /nfs/dbraw/zinc/48/63/12/1313486312.db2.gz AWYBCNUIBWEUIG-BGYRXZFFSA-N 2 3 344.547 2.890 20 0 EFADHP COc1ccccc1CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236701309 1313513453 /nfs/dbraw/zinc/51/34/53/1313513453.db2.gz PAMYBRUVQPNPHR-BHIYHBOVSA-N 2 3 331.504 2.767 20 0 EFADHP C[NH+]1CCC2(CC1)CN(C[C@@H]1CCC[N@H+](C)C1)Cc1ccccc12 ZINC001276496492 1313519579 /nfs/dbraw/zinc/51/95/79/1313519579.db2.gz DKJUEPSRPLNCAX-GOSISDBHSA-N 2 3 327.516 2.807 20 0 EFADHP C[NH+]1CCC2(CC1)CN(C[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc12 ZINC001276496492 1313519582 /nfs/dbraw/zinc/51/95/82/1313519582.db2.gz DKJUEPSRPLNCAX-GOSISDBHSA-N 2 3 327.516 2.807 20 0 EFADHP Cc1c[nH+]c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc1N ZINC001159466094 1311521731 /nfs/dbraw/zinc/52/17/31/1311521731.db2.gz DTIJRXDFQCEFEL-UHFFFAOYSA-N 2 3 349.482 2.882 20 0 EFADHP c1cncc([C@@H]2NCC[C@H]2C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001246338195 1314612402 /nfs/dbraw/zinc/61/24/02/1314612402.db2.gz CTKRFBAACUPVPM-HKUYNNGSSA-N 2 3 328.504 2.634 20 0 EFADHP c1cncc([C@@H]2NCC[C@H]2C[NH2+]C2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001246337578 1314612530 /nfs/dbraw/zinc/61/25/30/1314612530.db2.gz AMVPSMCGNRGBGZ-IQNGYNMSSA-N 2 3 328.504 2.634 20 0 EFADHP COc1ccc(C2(N[C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246379372 1314619022 /nfs/dbraw/zinc/61/90/22/1314619022.db2.gz CXCBMZDSUQTWAA-UYAOXDASSA-N 2 3 343.515 2.786 20 0 EFADHP CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246379920 1314619497 /nfs/dbraw/zinc/61/94/97/1314619497.db2.gz ROGBCZNPXSILAF-MOPGFXCFSA-N 2 3 333.495 2.858 20 0 EFADHP COc1ccc(C2(N[C@H]3CCC4(C3)CC[NH2+]CC4)CC[NH2+]CC2)cc1 ZINC001246378972 1314619554 /nfs/dbraw/zinc/61/95/54/1314619554.db2.gz BNXKILIDYKTENX-SFHVURJKSA-N 2 3 343.515 2.786 20 0 EFADHP Clc1ccc(CC2([NH2+][C@@H]3CCC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246388769 1314621039 /nfs/dbraw/zinc/62/10/39/1314621039.db2.gz GOUOSBBFMKEQFO-QGZVFWFLSA-N 2 3 333.907 2.736 20 0 EFADHP CC[C@@H]1CC(NCC2(c3ccccn3)CC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246428011 1314627735 /nfs/dbraw/zinc/62/77/35/1314627735.db2.gz OFXGZJVCXBXANZ-IAGOWNOFSA-N 2 3 330.520 2.602 20 0 EFADHP CC[C@@H]1C[C@H](NCC2(c3ccccn3)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246428014 1314627767 /nfs/dbraw/zinc/62/77/67/1314627767.db2.gz OFXGZJVCXBXANZ-PIIMJCKOSA-N 2 3 330.520 2.602 20 0 EFADHP CCCC[C@H]1C[C@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246429850 1314628643 /nfs/dbraw/zinc/62/86/43/1314628643.db2.gz WNBBGNMLRDUJHV-ZWKOTPCHSA-N 2 3 330.520 2.603 20 0 EFADHP Clc1cccc(CC2([NH2+][C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)c1 ZINC001246431438 1314628687 /nfs/dbraw/zinc/62/86/87/1314628687.db2.gz YOIPKAZDEQTYFK-VQFNDLOPSA-N 2 3 333.907 2.592 20 0 EFADHP CC1(C)C[C@@H]([NH2+]CC2(Cc3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246435964 1314628895 /nfs/dbraw/zinc/62/88/95/1314628895.db2.gz UAYZMBHKXIDKBF-KRWDZBQOSA-N 2 3 333.495 2.858 20 0 EFADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3F)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246436033 1314629129 /nfs/dbraw/zinc/62/91/29/1314629129.db2.gz WBLLFVSRRMKFKI-ALXJQNPVSA-N 2 3 333.495 2.857 20 0 EFADHP Clc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246443788 1314629616 /nfs/dbraw/zinc/62/96/16/1314629616.db2.gz CRUNBMJMKWXKRC-XYPWUTKMSA-N 2 3 333.907 2.834 20 0 EFADHP c1ccc2c(c1)CN([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC21CC[NH2+]CC1 ZINC001246864544 1314698722 /nfs/dbraw/zinc/69/87/22/1314698722.db2.gz WAAZATAYOXINOK-REPLKXPHSA-N 2 3 325.500 2.797 20 0 EFADHP c1ccc2c(c1)C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3)CC21CC[NH2+]CC1 ZINC001246864544 1314698727 /nfs/dbraw/zinc/69/87/27/1314698727.db2.gz WAAZATAYOXINOK-REPLKXPHSA-N 2 3 325.500 2.797 20 0 EFADHP c1ccc2c(c1)C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3)CC21CC[NH2+]CC1 ZINC001246864544 1314698731 /nfs/dbraw/zinc/69/87/31/1314698731.db2.gz WAAZATAYOXINOK-REPLKXPHSA-N 2 3 325.500 2.797 20 0 EFADHP Cc1ccc(F)cc1C[N@H+]([C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCNCC1 ZINC001246956049 1314714614 /nfs/dbraw/zinc/71/46/14/1314714614.db2.gz QBDKTVKHSGVXLU-IGOJGBNBSA-N 2 3 331.479 2.686 20 0 EFADHP Cc1ccc(F)cc1C[N@@H+]([C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCNCC1 ZINC001246956049 1314714619 /nfs/dbraw/zinc/71/46/19/1314714619.db2.gz QBDKTVKHSGVXLU-IGOJGBNBSA-N 2 3 331.479 2.686 20 0 EFADHP Fc1ccc(CN([C@@H]2CCC3(C[NH2+]C3)C2)C2CC[NH2+]CC2)cc1F ZINC001246959568 1314715769 /nfs/dbraw/zinc/71/57/69/1314715769.db2.gz WFAWZTICMMKWLZ-MRXNPFEDSA-N 2 3 335.442 2.661 20 0 EFADHP Fc1ccc(C[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)cc1F ZINC001246959568 1314715771 /nfs/dbraw/zinc/71/57/71/1314715771.db2.gz WFAWZTICMMKWLZ-MRXNPFEDSA-N 2 3 335.442 2.661 20 0 EFADHP Fc1ccc(C[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)cc1F ZINC001246959568 1314715775 /nfs/dbraw/zinc/71/57/75/1314715775.db2.gz WFAWZTICMMKWLZ-MRXNPFEDSA-N 2 3 335.442 2.661 20 0 EFADHP Cc1cc(F)ccc1C[N@H+]([C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCNCC1 ZINC001246963779 1314717000 /nfs/dbraw/zinc/71/70/00/1314717000.db2.gz YRRUSPSOKLMPAM-YRWFTTLQSA-N 2 3 331.479 2.686 20 0 EFADHP Cc1cc(F)ccc1C[N@@H+]([C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCNCC1 ZINC001246963779 1314717004 /nfs/dbraw/zinc/71/70/04/1314717004.db2.gz YRRUSPSOKLMPAM-YRWFTTLQSA-N 2 3 331.479 2.686 20 0 EFADHP COc1ccc(C[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)cc1F ZINC001246965690 1314718134 /nfs/dbraw/zinc/71/81/34/1314718134.db2.gz QEDIFAZTVXITCZ-QGZVFWFLSA-N 2 3 347.478 2.530 20 0 EFADHP COc1ccc(C[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)cc1F ZINC001246965690 1314718139 /nfs/dbraw/zinc/71/81/39/1314718139.db2.gz QEDIFAZTVXITCZ-QGZVFWFLSA-N 2 3 347.478 2.530 20 0 EFADHP COc1ccc(CN([C@@H]2CCC3(C[NH2+]C3)C2)C2CC[NH2+]CC2)cc1F ZINC001246965690 1314718143 /nfs/dbraw/zinc/71/81/43/1314718143.db2.gz QEDIFAZTVXITCZ-QGZVFWFLSA-N 2 3 347.478 2.530 20 0 EFADHP CC(C)(C)NC[C@@H](O)C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001253383282 1315598800 /nfs/dbraw/zinc/59/88/00/1315598800.db2.gz DPHFJWWUYMKXRU-FQEVSTJZSA-N 2 3 347.547 2.627 20 0 EFADHP CC(C)(C)[NH2+]C[C@@H](O)CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001253383282 1315598802 /nfs/dbraw/zinc/59/88/02/1315598802.db2.gz DPHFJWWUYMKXRU-FQEVSTJZSA-N 2 3 347.547 2.627 20 0 EFADHP CC1(C)C[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C[C@@](C)(C[NH3+])C1 ZINC001256683112 1315980754 /nfs/dbraw/zinc/98/07/54/1315980754.db2.gz SANMABUSIRZDTE-PAQOUXTFSA-N 2 3 337.552 2.763 20 0 EFADHP CC1(C)C[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C[C@](C)(C[NH3+])C1 ZINC001256683110 1315980977 /nfs/dbraw/zinc/98/09/77/1315980977.db2.gz SANMABUSIRZDTE-MKQGEQSTSA-N 2 3 337.552 2.763 20 0 EFADHP CC(C)(C)[NH2+]CCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849071009 1335068655 /nfs/dbraw/zinc/06/86/55/1335068655.db2.gz FUTFPHSHKCUMIZ-UHFFFAOYSA-N 2 3 345.535 2.543 20 0 EFADHP CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC001553023826 1414648033 /nfs/dbraw/zinc/64/80/33/1414648033.db2.gz GRNJICKEDHGKEU-QRVBRYPASA-N 2 3 328.504 2.664 20 0 EFADHP C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000435382655 296028661 /nfs/dbraw/zinc/02/86/61/296028661.db2.gz DZHPRZAFZSECHN-MSOLQXFVSA-N 2 3 344.547 2.776 20 0 EFADHP CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000415002887 312075710 /nfs/dbraw/zinc/07/57/10/312075710.db2.gz MPDCOQJVSXTZJP-QUCCMNQESA-N 2 3 344.547 2.826 20 0 EFADHP CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000415002884 312075849 /nfs/dbraw/zinc/07/58/49/312075849.db2.gz MPDCOQJVSXTZJP-ICSRJNTNSA-N 2 3 344.547 2.826 20 0 EFADHP c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+][C@@H]4C[C@H]4C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000415005169 312075979 /nfs/dbraw/zinc/07/59/79/312075979.db2.gz IRWGQMXBFYOHOK-RTOMLYRKSA-N 2 3 339.527 2.875 20 0 EFADHP C[C@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000415136620 312101347 /nfs/dbraw/zinc/10/13/47/312101347.db2.gz XKYUIAMXQFMBJM-PKOBYXMFSA-N 2 3 344.547 2.634 20 0 EFADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000571073182 319540110 /nfs/dbraw/zinc/54/01/10/319540110.db2.gz CGPRDYYSKBIZHW-IOMROCGXSA-N 2 3 345.531 2.905 20 0 EFADHP C[C@@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000422800307 476781743 /nfs/dbraw/zinc/78/17/43/476781743.db2.gz BEBOHWWIWHNEOC-DUXKGJEZSA-N 2 3 345.531 2.760 20 0 EFADHP C[C@H]1CC[NH2+]C[C@H]1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422821463 476795809 /nfs/dbraw/zinc/79/58/09/476795809.db2.gz WJOPNORHMQPPMN-GHTZIAJQSA-N 2 3 345.531 2.645 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422855515 476812203 /nfs/dbraw/zinc/81/22/03/476812203.db2.gz DZAGFIKUECQJTK-SQBLYHGDSA-N 2 3 345.531 2.903 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422855515 476812211 /nfs/dbraw/zinc/81/22/11/476812211.db2.gz DZAGFIKUECQJTK-SQBLYHGDSA-N 2 3 345.531 2.903 20 0 EFADHP c1ccc(CN2C[C@H]3CC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423534922 477066713 /nfs/dbraw/zinc/06/67/13/477066713.db2.gz BODWTCXIIXWHDU-NJDAHSKKSA-N 2 3 325.500 2.796 20 0 EFADHP CN1CCC(Oc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000647796693 481111713 /nfs/dbraw/zinc/11/17/13/481111713.db2.gz KKCSEFSHWOUMEG-GUDVDZBRSA-N 2 3 343.515 2.637 20 0 EFADHP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(OCCN(C)C)cc1)CC[NH2+]CC2 ZINC000643973803 481665408 /nfs/dbraw/zinc/66/54/08/481665408.db2.gz YFKVNOCDKGMNHD-QGZVFWFLSA-N 2 3 331.504 2.591 20 0 EFADHP C[C@@H]1CC2(C[N@H+]1Cc1ccc(OCCN(C)C)cc1)CC[NH2+]CC2 ZINC000643973803 481665413 /nfs/dbraw/zinc/66/54/13/481665413.db2.gz YFKVNOCDKGMNHD-QGZVFWFLSA-N 2 3 331.504 2.591 20 0 EFADHP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C1CC[NH+](C2CCOCC2)CC1 ZINC000665233526 481735075 /nfs/dbraw/zinc/73/50/75/481735075.db2.gz JSEVTUALEMLFEP-PWRODBHTSA-N 2 3 349.563 2.778 20 0 EFADHP CN1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)C2 ZINC000192818045 524058087 /nfs/dbraw/zinc/05/80/87/524058087.db2.gz KLBYTWXHVOTPRD-YQQQUEKLSA-N 2 3 331.504 2.732 20 0 EFADHP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000414660559 534934434 /nfs/dbraw/zinc/93/44/34/534934434.db2.gz OOMKNPDVMQPUMD-MOPGFXCFSA-N 2 3 344.547 2.778 20 0 EFADHP CN(C)CCOc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657812638 547292363 /nfs/dbraw/zinc/29/23/63/547292363.db2.gz VHPVMBZXINUDFM-UHFFFAOYSA-N 2 3 345.531 2.839 20 0 EFADHP C[NH+](C)CC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678139593 548851130 /nfs/dbraw/zinc/85/11/30/548851130.db2.gz XVFKJKSHZPHWNR-UHFFFAOYSA-N 2 3 345.531 2.935 20 0 EFADHP C[NH+](C)CC[C@@H](c1ccc(N[C@H](N)CCC[NH3+])cc1)c1ccccn1 ZINC001170900940 1276508552 /nfs/dbraw/zinc/50/85/52/1276508552.db2.gz RPPREOSPURYSCH-ICSRJNTNSA-N 2 3 341.503 2.601 20 0 EFADHP c1c(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206399 1289641944 /nfs/dbraw/zinc/64/19/44/1289641944.db2.gz BIFCYAGGCLVIDB-RDTXWAMCSA-N 2 3 331.529 2.843 20 0 EFADHP c1c(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206399 1289641951 /nfs/dbraw/zinc/64/19/51/1289641951.db2.gz BIFCYAGGCLVIDB-RDTXWAMCSA-N 2 3 331.529 2.843 20 0 EFADHP c1c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206399 1289641958 /nfs/dbraw/zinc/64/19/58/1289641958.db2.gz BIFCYAGGCLVIDB-RDTXWAMCSA-N 2 3 331.529 2.843 20 0 EFADHP c1c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206399 1289641964 /nfs/dbraw/zinc/64/19/64/1289641964.db2.gz BIFCYAGGCLVIDB-RDTXWAMCSA-N 2 3 331.529 2.843 20 0 EFADHP c1ccc([C@]23CCNC[C@H]2C[N@H+](CCC2CC[NH2+]CC2)CC3)cc1 ZINC001235362784 1313301644 /nfs/dbraw/zinc/30/16/44/1313301644.db2.gz NIUMYHWSSJQDFC-LEWJYISDSA-N 2 3 327.516 2.629 20 0 EFADHP c1ccc([C@]23CCNC[C@H]2C[N@@H+](CCC2CC[NH2+]CC2)CC3)cc1 ZINC001235362784 1313301648 /nfs/dbraw/zinc/30/16/48/1313301648.db2.gz NIUMYHWSSJQDFC-LEWJYISDSA-N 2 3 327.516 2.629 20 0 EFADHP c1ccc([C@]23CCNC[C@H]2C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC3)cc1 ZINC001235369732 1313304266 /nfs/dbraw/zinc/30/42/66/1313304266.db2.gz YZLWCBDSGSLDJF-SESVDKBCSA-N 2 3 327.516 2.629 20 0 EFADHP c1ccc([C@]23CCNC[C@H]2C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC3)cc1 ZINC001235369732 1313304269 /nfs/dbraw/zinc/30/42/69/1313304269.db2.gz YZLWCBDSGSLDJF-SESVDKBCSA-N 2 3 327.516 2.629 20 0 EFADHP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000925713080 1296869805 /nfs/dbraw/zinc/86/98/05/1296869805.db2.gz SNEZGBRRVBSWAK-WHSGIHJSSA-N 2 3 342.531 2.789 20 0 EFADHP c1nc(C[NH2+]C2CCCC2)c2n1CCCN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235646405 1313366016 /nfs/dbraw/zinc/36/60/16/1313366016.db2.gz OFZREEADLJSYPK-KRWDZBQOSA-N 2 3 345.535 2.511 20 0 EFADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc3n2CCNC3)C2CCCCC2)CC1 ZINC001236567497 1313492926 /nfs/dbraw/zinc/49/29/26/1313492926.db2.gz NNWLTCHCWBDPJX-SAABIXHNSA-N 2 3 330.520 2.996 20 0 EFADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc3n2CCNC3)C2CCCCC2)CC1 ZINC001236567497 1313492928 /nfs/dbraw/zinc/49/29/28/1313492928.db2.gz NNWLTCHCWBDPJX-SAABIXHNSA-N 2 3 330.520 2.996 20 0 EFADHP c1ccc2c(c1)C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C21CCNCC1 ZINC001237299769 1313621133 /nfs/dbraw/zinc/62/11/33/1313621133.db2.gz IPKHEBLSOCTJPD-UHFFFAOYSA-N 2 3 325.500 2.861 20 0 EFADHP c1ccc2c(c1)C[N@H+](CC1CC3(C1)CC[NH2+]CC3)C21CCNCC1 ZINC001237299769 1313621136 /nfs/dbraw/zinc/62/11/36/1313621136.db2.gz IPKHEBLSOCTJPD-UHFFFAOYSA-N 2 3 325.500 2.861 20 0 EFADHP C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208937236 1314052001 /nfs/dbraw/zinc/05/20/01/1314052001.db2.gz QSDPCUFBYUQERM-NJYVYQBISA-N 2 3 327.516 2.782 20 0 EFADHP C[N@H+]1CC[C@@H]2CN(C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208937236 1314052006 /nfs/dbraw/zinc/05/20/06/1314052006.db2.gz QSDPCUFBYUQERM-NJYVYQBISA-N 2 3 327.516 2.782 20 0 EFADHP C[NH+]1CC[C@@H]2CN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208937236 1314052009 /nfs/dbraw/zinc/05/20/09/1314052009.db2.gz QSDPCUFBYUQERM-NJYVYQBISA-N 2 3 327.516 2.782 20 0 EFADHP C[NH+]1CC[C@@H]2CN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208937236 1314052012 /nfs/dbraw/zinc/05/20/12/1314052012.db2.gz QSDPCUFBYUQERM-NJYVYQBISA-N 2 3 327.516 2.782 20 0 EFADHP [NH3+]CCCC[NH2+]CCCNc1nc(N2CCCC2)cc2ccccc21 ZINC001162294565 1312083086 /nfs/dbraw/zinc/08/30/86/1312083086.db2.gz MIGCVPWYZFSKHE-UHFFFAOYSA-N 2 3 341.503 2.966 20 0 EFADHP Fc1ccc(C2(N[C@H]3CCC[C@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246337765 1314612860 /nfs/dbraw/zinc/61/28/60/1314612860.db2.gz VKPAQGKAUCERAD-OALUTQOASA-N 2 3 331.479 2.916 20 0 EFADHP c1cncc([C@H]2NCC[C@H]2C[NH2+]C2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001246337579 1314612870 /nfs/dbraw/zinc/61/28/70/1314612870.db2.gz AMVPSMCGNRGBGZ-LHQJTOJGSA-N 2 3 328.504 2.634 20 0 EFADHP COc1ccccc1C1([NH2+]C2CCC3(CC[NH2+]C3)CC2)CCNCC1 ZINC001246374388 1314617527 /nfs/dbraw/zinc/61/75/27/1314617527.db2.gz CNNWAYVECQGNBP-UHFFFAOYSA-N 2 3 343.515 2.786 20 0 EFADHP c1ccc(CC2([NH2+]C3CCC4(CCC[NH2+]C4)CC3)CCNCC2)nc1 ZINC001246372908 1314617702 /nfs/dbraw/zinc/61/77/02/1314617702.db2.gz UGPYEVZSTZLLEC-UHFFFAOYSA-N 2 3 342.531 2.648 20 0 EFADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246377542 1314618669 /nfs/dbraw/zinc/61/86/69/1314618669.db2.gz GHZOEMGSMWLMGP-HGKCTWBKSA-N 2 3 333.495 2.857 20 0 EFADHP COc1ccccc1CN([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246394713 1314623082 /nfs/dbraw/zinc/62/30/82/1314623082.db2.gz JKIKVCQNINZFGZ-DSLXNQLJSA-N 2 3 331.504 2.908 20 0 EFADHP COc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN[C@@H](C)C1 ZINC001246394713 1314623086 /nfs/dbraw/zinc/62/30/86/1314623086.db2.gz JKIKVCQNINZFGZ-DSLXNQLJSA-N 2 3 331.504 2.908 20 0 EFADHP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN[C@@H](C)C1 ZINC001246394713 1314623091 /nfs/dbraw/zinc/62/30/91/1314623091.db2.gz JKIKVCQNINZFGZ-DSLXNQLJSA-N 2 3 331.504 2.908 20 0 EFADHP COc1cccc(C2(N[C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)c1 ZINC001246413933 1314626909 /nfs/dbraw/zinc/62/69/09/1314626909.db2.gz GVBJVPPNHGKYMG-AZUAARDMSA-N 2 3 343.515 2.786 20 0 EFADHP CC[C@H]1CC(NCC2(c3ccccn3)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246428012 1314627647 /nfs/dbraw/zinc/62/76/47/1314627647.db2.gz OFXGZJVCXBXANZ-IRXDYDNUSA-N 2 3 330.520 2.602 20 0 EFADHP CCCC[C@@H]1C[C@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246424437 1314627704 /nfs/dbraw/zinc/62/77/04/1314627704.db2.gz VDFIIWICECSXEI-RTBURBONSA-N 2 3 330.520 2.603 20 0 EFADHP C[C@H]1C[C@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)CCN1 ZINC001246425517 1314627894 /nfs/dbraw/zinc/62/78/94/1314627894.db2.gz LLUVDYZBIOQZLF-MAUKXSAKSA-N 2 3 335.923 2.982 20 0 EFADHP CC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246431219 1314628389 /nfs/dbraw/zinc/62/83/89/1314628389.db2.gz CQNYRLIJKRATCJ-QZTJIDSGSA-N 2 3 333.495 2.858 20 0 EFADHP C[C@@H]1CC([NH2+]CC2(Cc3ccccc3F)CC[NH2+]CC2)C[C@@H](C)N1 ZINC001246436036 1314629173 /nfs/dbraw/zinc/62/91/73/1314629173.db2.gz WBLLFVSRRMKFKI-HZPDHXFCSA-N 2 3 333.495 2.857 20 0 EFADHP C[C@H](Cc1ccc(C(F)(F)F)cc1)NCCC[NH2+]CCCC[NH3+] ZINC001246457073 1314631173 /nfs/dbraw/zinc/63/11/73/1314631173.db2.gz MFDIEDYJMQRNSZ-CQSZACIVSA-N 2 3 331.426 2.945 20 0 EFADHP C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCCC[NH2+]CCCC[NH3+] ZINC001246457071 1314631283 /nfs/dbraw/zinc/63/12/83/1314631283.db2.gz MFDIEDYJMQRNSZ-AWEZNQCLSA-N 2 3 331.426 2.945 20 0 EFADHP c1ccc(CC2([NH2+][C@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)cc1 ZINC001246463186 1314631337 /nfs/dbraw/zinc/63/13/37/1314631337.db2.gz PVYTVLACPUWYRS-IBGZPJMESA-N 2 3 327.516 2.863 20 0 EFADHP c1ccc2c(c1)C[NH2+]CC21CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246640418 1314662314 /nfs/dbraw/zinc/66/23/14/1314662314.db2.gz UASLGINIVHJJER-BWTSREIZSA-N 2 3 325.500 2.797 20 0 EFADHP c1ccc([C@H]2C[C@@H](N3CCC(OC4CC[NH2+]CC4)CC3)CC[NH2+]2)cc1 ZINC001246663575 1314665954 /nfs/dbraw/zinc/66/59/54/1314665954.db2.gz OOHNLTRJEITQGC-GHTZIAJQSA-N 2 3 343.515 2.713 20 0 EFADHP c1ccc([C@]23CCNC[C@H]2C[N@H+](C2CCC4(C[NH2+]C4)CC2)CC3)cc1 ZINC001246669837 1314667242 /nfs/dbraw/zinc/66/72/42/1314667242.db2.gz ABPDLITXROMLEE-SIKLNZKXSA-N 2 3 339.527 2.772 20 0 EFADHP c1ccc([C@]23CCNC[C@H]2C[N@@H+](C2CCC4(C[NH2+]C4)CC2)CC3)cc1 ZINC001246669837 1314667246 /nfs/dbraw/zinc/66/72/46/1314667246.db2.gz ABPDLITXROMLEE-SIKLNZKXSA-N 2 3 339.527 2.772 20 0 EFADHP CC[C@@H]1C[C@H](N2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246708382 1314674561 /nfs/dbraw/zinc/67/45/61/1314674561.db2.gz JNKNKJHKQJFCGH-PLACYPQZSA-N 2 3 327.516 2.889 20 0 EFADHP CC[C@@H]1C[C@H](N2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246708382 1314674564 /nfs/dbraw/zinc/67/45/64/1314674564.db2.gz JNKNKJHKQJFCGH-PLACYPQZSA-N 2 3 327.516 2.889 20 0 EFADHP C[NH+]1CCC(CC[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001276727363 1314867926 /nfs/dbraw/zinc/86/79/26/1314867926.db2.gz PXXZDGJGZNBWKQ-BGYRXZFFSA-N 2 3 344.547 2.890 20 0 EFADHP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001276727363 1314867930 /nfs/dbraw/zinc/86/79/30/1314867930.db2.gz PXXZDGJGZNBWKQ-BGYRXZFFSA-N 2 3 344.547 2.890 20 0 EFADHP Cc1ccc(CN2C[C@@H]3C[NH+]([C@H]4CCC[N@@H+](C)CC4)C[C@@H]3C2)cc1 ZINC001254519295 1315714335 /nfs/dbraw/zinc/71/43/35/1315714335.db2.gz RYOABLUVSFKVJT-HBMCJLEFSA-N 2 3 327.516 2.843 20 0 EFADHP Cc1ccc(CN2C[C@@H]3C[NH+]([C@H]4CCC[N@H+](C)CC4)C[C@@H]3C2)cc1 ZINC001254519295 1315714337 /nfs/dbraw/zinc/71/43/37/1315714337.db2.gz RYOABLUVSFKVJT-HBMCJLEFSA-N 2 3 327.516 2.843 20 0 EFADHP Cc1ccc(CN2C[C@@H]3C[N@H+]([C@H]4CCC[NH+](C)CC4)C[C@@H]3C2)cc1 ZINC001254519295 1315714341 /nfs/dbraw/zinc/71/43/41/1315714341.db2.gz RYOABLUVSFKVJT-HBMCJLEFSA-N 2 3 327.516 2.843 20 0 EFADHP Cc1ccc(CN2C[C@@H]3C[N@@H+]([C@H]4CCC[NH+](C)CC4)C[C@@H]3C2)cc1 ZINC001254519295 1315714343 /nfs/dbraw/zinc/71/43/43/1315714343.db2.gz RYOABLUVSFKVJT-HBMCJLEFSA-N 2 3 327.516 2.843 20 0 EFADHP CCN(CC)CC[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001255949532 1315883730 /nfs/dbraw/zinc/88/37/30/1315883730.db2.gz XVEWRWUQLCNESY-IBGZPJMESA-N 2 3 347.547 2.724 20 0 EFADHP C[C@@H]1CN(CCC2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C[C@H](C)O1 ZINC001552973465 1414627191 /nfs/dbraw/zinc/62/71/91/1414627191.db2.gz IDCAMTRKHARMGK-MEKRXLCPSA-N 2 3 349.563 2.728 20 0 EFADHP C[NH+](C)C1CCC([NH2+]CC2CCN(Cc3cccnc3)CC2)CC1 ZINC001168305061 1106459670 /nfs/dbraw/zinc/45/96/70/1106459670.db2.gz HBKFIDGWXVLMPJ-UHFFFAOYSA-N 2 3 330.520 2.756 20 0 EFADHP COc1cccc(C2([NH3+])CCN(C3CCC([NH+](C)C)CC3)CC2)c1 ZINC001168306422 1106485225 /nfs/dbraw/zinc/48/52/25/1106485225.db2.gz ZOCQFWFGKLEUQV-UHFFFAOYSA-N 2 3 331.504 2.818 20 0 EFADHP C[C@H]([NH3+])C1CC[NH+](Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000435381066 248234135 /nfs/dbraw/zinc/23/41/35/248234135.db2.gz UYMQBWXKYYDACJ-KRWDZBQOSA-N 2 3 344.547 2.776 20 0 EFADHP C[C@@H]([NH3+])C1CC[NH+](Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000435381067 248234438 /nfs/dbraw/zinc/23/44/38/248234438.db2.gz UYMQBWXKYYDACJ-QGZVFWFLSA-N 2 3 344.547 2.776 20 0 EFADHP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000344657351 142057006 /nfs/dbraw/zinc/05/70/06/142057006.db2.gz BFYKPYDWZKUPMC-MJGOQNOKSA-N 2 3 344.547 2.789 20 0 EFADHP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000356875328 147359717 /nfs/dbraw/zinc/35/97/17/147359717.db2.gz YSYHNGANAMTFRX-XLIONFOSSA-N 2 3 331.504 2.591 20 0 EFADHP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000356875328 147359720 /nfs/dbraw/zinc/35/97/20/147359720.db2.gz YSYHNGANAMTFRX-XLIONFOSSA-N 2 3 331.504 2.591 20 0 EFADHP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000356875335 147360141 /nfs/dbraw/zinc/36/01/41/147360141.db2.gz YSYHNGANAMTFRX-YLJYHZDGSA-N 2 3 331.504 2.591 20 0 EFADHP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000356875335 147360144 /nfs/dbraw/zinc/36/01/44/147360144.db2.gz YSYHNGANAMTFRX-YLJYHZDGSA-N 2 3 331.504 2.591 20 0 EFADHP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000272569164 266311480 /nfs/dbraw/zinc/31/14/80/266311480.db2.gz OSNJXHPVOOEOFG-NJDAHSKKSA-N 2 3 325.500 2.749 20 0 EFADHP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000272569164 266311481 /nfs/dbraw/zinc/31/14/81/266311481.db2.gz OSNJXHPVOOEOFG-NJDAHSKKSA-N 2 3 325.500 2.749 20 0 EFADHP CN(c1ccccc1C[NH2+]CC1(C)CC[NH2+]CC1)C1CCN(C)CC1 ZINC000414910795 289785503 /nfs/dbraw/zinc/78/55/03/289785503.db2.gz SRTWQPSWPKULKN-UHFFFAOYSA-N 2 3 344.547 2.696 20 0 EFADHP CN(c1ccccc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)C1CCN(C)CC1 ZINC000415012461 312077338 /nfs/dbraw/zinc/07/73/38/312077338.db2.gz XHGBOZGNTSVDJH-PKOBYXMFSA-N 2 3 344.547 2.824 20 0 EFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@H](N)C3)CC2)cc1 ZINC000567487482 319177406 /nfs/dbraw/zinc/17/74/06/319177406.db2.gz QHWOSAULWPXMTA-OALUTQOASA-N 2 3 331.504 2.767 20 0 EFADHP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000165933634 473519235 /nfs/dbraw/zinc/51/92/35/473519235.db2.gz SXCCWCHNJPRKOO-LJQANCHMSA-N 2 3 325.541 2.730 20 0 EFADHP NC[C@H]1CCC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422817417 476792090 /nfs/dbraw/zinc/79/20/90/476792090.db2.gz HPNPMXPWVNVUPY-CTNGQTDRSA-N 2 3 345.531 2.775 20 0 EFADHP NC[C@H]1CCC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422817420 476792452 /nfs/dbraw/zinc/79/24/52/476792452.db2.gz HPNPMXPWVNVUPY-TZIWHRDSSA-N 2 3 345.531 2.775 20 0 EFADHP C[C@@H]1CC[NH2+]C[C@H]1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422821466 476795503 /nfs/dbraw/zinc/79/55/03/476795503.db2.gz WJOPNORHMQPPMN-WIYYLYMNSA-N 2 3 345.531 2.645 20 0 EFADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422823691 476795683 /nfs/dbraw/zinc/79/56/83/476795683.db2.gz DWILOMFXYOQGCV-DZFGPLHGSA-N 2 3 345.531 2.905 20 0 EFADHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422895491 476831630 /nfs/dbraw/zinc/83/16/30/476831630.db2.gz WEUUAKAXWUZBCE-FXAWDEMLSA-N 2 3 333.520 2.885 20 0 EFADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000422914550 476843112 /nfs/dbraw/zinc/84/31/12/476843112.db2.gz URYMAOIBCQMHAA-MKXGPGLRSA-N 2 3 325.541 2.776 20 0 EFADHP C[C@H]1C[N@H+](CCOc2ccc(CCN[C@@H]3CCC[C@H]3[NH3+])cc2)C[C@H]1C ZINC000423014583 476891499 /nfs/dbraw/zinc/89/14/99/476891499.db2.gz IVJFMBMLRWUBSU-HRQSHJORSA-N 2 3 345.531 2.665 20 0 EFADHP C[C@H]1C[N@@H+](CCOc2ccc(CCN[C@@H]3CCC[C@H]3[NH3+])cc2)C[C@H]1C ZINC000423014583 476891505 /nfs/dbraw/zinc/89/15/05/476891505.db2.gz IVJFMBMLRWUBSU-HRQSHJORSA-N 2 3 345.531 2.665 20 0 EFADHP c1ccc(C[N@H+]2CC[C@@H](NCC3=CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423360544 477005035 /nfs/dbraw/zinc/00/50/35/477005035.db2.gz WCVZEXLWRKVKPF-PWRODBHTSA-N 2 3 325.500 2.939 20 0 EFADHP c1ccc(C[N@@H+]2CC[C@@H](NCC3=CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423360544 477005036 /nfs/dbraw/zinc/00/50/36/477005036.db2.gz WCVZEXLWRKVKPF-PWRODBHTSA-N 2 3 325.500 2.939 20 0 EFADHP COc1ccc([C@@H](CN)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000420320419 477690592 /nfs/dbraw/zinc/69/05/92/477690592.db2.gz QEYYHEDFVFEPBJ-IBGZPJMESA-N 2 3 331.504 2.545 20 0 EFADHP CC[NH+](CC)CCOc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000518397173 478165586 /nfs/dbraw/zinc/16/55/86/478165586.db2.gz PRHPBESHLGSDNQ-ROUUACIJSA-N 2 3 349.519 2.775 20 0 EFADHP CN(c1ccccc1C[NH+]1CCC(CC[NH3+])CC1)C1CCN(C)CC1 ZINC000573925180 479177164 /nfs/dbraw/zinc/17/71/64/479177164.db2.gz QPUONLAIYWTNBR-UHFFFAOYSA-N 2 3 344.547 2.778 20 0 EFADHP CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543362 480992984 /nfs/dbraw/zinc/99/29/84/480992984.db2.gz LUCQKOGYLFSQQK-UXHICEINSA-N 2 3 345.531 2.839 20 0 EFADHP CN(C)CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543362 480992989 /nfs/dbraw/zinc/99/29/89/480992989.db2.gz LUCQKOGYLFSQQK-UXHICEINSA-N 2 3 345.531 2.839 20 0 EFADHP CC(C)N(C)C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000647962105 481215645 /nfs/dbraw/zinc/21/56/45/481215645.db2.gz NFJGIPRCXCGOFC-NRFANRHFSA-N 2 3 347.547 2.532 20 0 EFADHP CC(C)N(C)C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000647962105 481215654 /nfs/dbraw/zinc/21/56/54/481215654.db2.gz NFJGIPRCXCGOFC-NRFANRHFSA-N 2 3 347.547 2.532 20 0 EFADHP C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000643541235 481498272 /nfs/dbraw/zinc/49/82/72/481498272.db2.gz WXPWONKPIQDNRG-MOXGXCLJSA-N 2 3 333.495 2.839 20 0 EFADHP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)C1CC[NH+](C2CCOCC2)CC1 ZINC000665233523 481736465 /nfs/dbraw/zinc/73/64/65/481736465.db2.gz JSEVTUALEMLFEP-HBMCJLEFSA-N 2 3 349.563 2.778 20 0 EFADHP c1cc(N2CCC([NH2+]CC3CC[NH+](CC4CC4)CC3)CC2)ccn1 ZINC000668783248 482260171 /nfs/dbraw/zinc/26/01/71/482260171.db2.gz MFNOFYAJQGDLKO-UHFFFAOYSA-N 2 3 328.504 2.762 20 0 EFADHP CCN1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000132774965 528987219 /nfs/dbraw/zinc/98/72/19/528987219.db2.gz CHTLELWVXDPSHE-UHFFFAOYSA-N 2 3 344.547 2.791 20 0 EFADHP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000414660561 534935710 /nfs/dbraw/zinc/93/57/10/534935710.db2.gz OOMKNPDVMQPUMD-RBUKOAKNSA-N 2 3 344.547 2.778 20 0 EFADHP C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC[NH+](C)CC1 ZINC000658164372 547377001 /nfs/dbraw/zinc/37/70/01/547377001.db2.gz CRZGMKOWTYZCOX-KRWDZBQOSA-N 2 3 330.520 2.614 20 0 EFADHP CN1CCC([N@@H+]2CC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2)CC1 ZINC000675875986 548366732 /nfs/dbraw/zinc/36/67/32/548366732.db2.gz XWCRXADLLRAWRX-LJQANCHMSA-N 2 3 348.579 2.542 20 0 EFADHP CN1CCC([N@H+]2CC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2)CC1 ZINC000675875986 548366735 /nfs/dbraw/zinc/36/67/35/548366735.db2.gz XWCRXADLLRAWRX-LJQANCHMSA-N 2 3 348.579 2.542 20 0 EFADHP C[NH+](C)CCOc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000685470642 550156659 /nfs/dbraw/zinc/15/66/59/550156659.db2.gz ABWVAEJFXQQPEW-QUCCMNQESA-N 2 3 331.504 2.543 20 0 EFADHP C[NH+](C)CCOc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000685470642 550156660 /nfs/dbraw/zinc/15/66/60/550156660.db2.gz ABWVAEJFXQQPEW-QUCCMNQESA-N 2 3 331.504 2.543 20 0 EFADHP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169118254 1272673838 /nfs/dbraw/zinc/67/38/38/1272673838.db2.gz FWEWIRYZNFTQAC-VBIBTDTNSA-N 2 3 328.504 2.779 20 0 EFADHP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169118254 1272673846 /nfs/dbraw/zinc/67/38/46/1272673846.db2.gz FWEWIRYZNFTQAC-VBIBTDTNSA-N 2 3 328.504 2.779 20 0 EFADHP c1c(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206397 1289642316 /nfs/dbraw/zinc/64/23/16/1289642316.db2.gz BIFCYAGGCLVIDB-KDOFPFPSSA-N 2 3 331.529 2.843 20 0 EFADHP c1c(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206397 1289642325 /nfs/dbraw/zinc/64/23/25/1289642325.db2.gz BIFCYAGGCLVIDB-KDOFPFPSSA-N 2 3 331.529 2.843 20 0 EFADHP c1c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206397 1289642336 /nfs/dbraw/zinc/64/23/36/1289642336.db2.gz BIFCYAGGCLVIDB-KDOFPFPSSA-N 2 3 331.529 2.843 20 0 EFADHP c1c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206397 1289642347 /nfs/dbraw/zinc/64/23/47/1289642347.db2.gz BIFCYAGGCLVIDB-KDOFPFPSSA-N 2 3 331.529 2.843 20 0 EFADHP c1c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206396 1289643061 /nfs/dbraw/zinc/64/30/61/1289643061.db2.gz BIFCYAGGCLVIDB-KBXCAEBGSA-N 2 3 331.529 2.843 20 0 EFADHP c1c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206396 1289643069 /nfs/dbraw/zinc/64/30/69/1289643069.db2.gz BIFCYAGGCLVIDB-KBXCAEBGSA-N 2 3 331.529 2.843 20 0 EFADHP c1c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206396 1289643074 /nfs/dbraw/zinc/64/30/74/1289643074.db2.gz BIFCYAGGCLVIDB-KBXCAEBGSA-N 2 3 331.529 2.843 20 0 EFADHP c1c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc2c1C[NH2+]CC2 ZINC000873206396 1289643086 /nfs/dbraw/zinc/64/30/86/1289643086.db2.gz BIFCYAGGCLVIDB-KBXCAEBGSA-N 2 3 331.529 2.843 20 0 EFADHP c1c(CN2CCC3(CC[NH2+]CC3)CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001235132790 1313249844 /nfs/dbraw/zinc/24/98/44/1313249844.db2.gz LCABVSRJTHJFTI-UHFFFAOYSA-N 2 3 338.499 2.710 20 0 EFADHP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235363678 1313302282 /nfs/dbraw/zinc/30/22/82/1313302282.db2.gz JKIPELGTLTWVEY-IFMALSPDSA-N 2 3 341.543 2.972 20 0 EFADHP C[NH+]1CCC(C)(C[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)CC1 ZINC001235363678 1313302286 /nfs/dbraw/zinc/30/22/86/1313302286.db2.gz JKIPELGTLTWVEY-IFMALSPDSA-N 2 3 341.543 2.972 20 0 EFADHP CC1(C[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC[NH2+]CC1 ZINC001235367613 1313303288 /nfs/dbraw/zinc/30/32/88/1313303288.db2.gz UGDXKJYUUVNCKF-PZJWPPBQSA-N 2 3 327.516 2.629 20 0 EFADHP CC1(C[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)CC[NH2+]CC1 ZINC001235367613 1313303291 /nfs/dbraw/zinc/30/32/91/1313303291.db2.gz UGDXKJYUUVNCKF-PZJWPPBQSA-N 2 3 327.516 2.629 20 0 EFADHP C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925093884 1296797137 /nfs/dbraw/zinc/79/71/37/1296797137.db2.gz MFTIQCOMBGZTCG-PKOBYXMFSA-N 2 3 345.531 2.900 20 0 EFADHP c1nc(C[NH2+]C2CCCC2)c2n1CCCN(CC[C@H]1CCC[NH2+]C1)C2 ZINC001235646406 1313366200 /nfs/dbraw/zinc/36/62/00/1313366200.db2.gz OFZREEADLJSYPK-QGZVFWFLSA-N 2 3 345.535 2.511 20 0 EFADHP c1ccc(CN2C[C@H]3C[NH+](Cc4ccc5c(c4)CC[NH2+]C5)C[C@@H]3C2)cc1 ZINC001235789994 1313396699 /nfs/dbraw/zinc/39/66/99/1313396699.db2.gz YPSFDFQPQKNMRG-GOTSBHOMSA-N 2 3 347.506 2.896 20 0 EFADHP C[NH+]1CCC2(CC1)CN(C[C@H]1CCC[N@H+](C)C1)Cc1ccccc12 ZINC001276496493 1313519138 /nfs/dbraw/zinc/51/91/38/1313519138.db2.gz DKJUEPSRPLNCAX-SFHVURJKSA-N 2 3 327.516 2.807 20 0 EFADHP C[NH+]1CCC2(CC1)CN(C[C@H]1CCC[N@@H+](C)C1)Cc1ccccc12 ZINC001276496493 1313519141 /nfs/dbraw/zinc/51/91/41/1313519141.db2.gz DKJUEPSRPLNCAX-SFHVURJKSA-N 2 3 327.516 2.807 20 0 EFADHP CCCN(Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@H]1CC[NH2+]C1 ZINC001236844701 1313541606 /nfs/dbraw/zinc/54/16/06/1313541606.db2.gz XVDZSHQLYFJEMZ-INIZCTEOSA-N 2 3 326.488 2.566 20 0 EFADHP C[NH+]1CCC(C)(CN2CCC3(CC2)[NH2+]CCc2ccccc23)CC1 ZINC001237275118 1313615072 /nfs/dbraw/zinc/61/50/72/1313615072.db2.gz KMTSORPJQNYCOC-UHFFFAOYSA-N 2 3 327.516 2.855 20 0 EFADHP CN1CCC[C@H](C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)C1 ZINC001208618351 1313981911 /nfs/dbraw/zinc/98/19/11/1313981911.db2.gz XKLPFRXZKLJOQH-FQEVSTJZSA-N 2 3 327.516 2.926 20 0 EFADHP C[NH+](C)CC(C)(C)CN1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276658678 1314202725 /nfs/dbraw/zinc/20/27/25/1314202725.db2.gz TVRWFDVDMYVUOM-UHFFFAOYSA-N 2 3 332.536 2.890 20 0 EFADHP C[NH+](C)CC(C)(C)CN1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276658678 1314202727 /nfs/dbraw/zinc/20/27/27/1314202727.db2.gz TVRWFDVDMYVUOM-UHFFFAOYSA-N 2 3 332.536 2.890 20 0 EFADHP [NH3+]CCCCC[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222575306 1311154571 /nfs/dbraw/zinc/15/45/71/1311154571.db2.gz NAJTZHLRUQFNCT-FQEVSTJZSA-N 2 3 345.531 2.919 20 0 EFADHP [NH3+]CCCCC[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222575306 1311154574 /nfs/dbraw/zinc/15/45/74/1311154574.db2.gz NAJTZHLRUQFNCT-FQEVSTJZSA-N 2 3 345.531 2.919 20 0 EFADHP C[C@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@H](C)O1 ZINC000903120214 1312374599 /nfs/dbraw/zinc/37/45/99/1312374599.db2.gz MFNJZZLMZAWPJI-NPZYAJIESA-N 2 3 335.536 2.623 20 0 EFADHP C[C@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H](C)O1 ZINC000903120214 1312374602 /nfs/dbraw/zinc/37/46/02/1312374602.db2.gz MFNJZZLMZAWPJI-NPZYAJIESA-N 2 3 335.536 2.623 20 0 EFADHP c1cncc([C@H]2NCC[C@@H]2C[NH2+]C2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001246337577 1314612906 /nfs/dbraw/zinc/61/29/06/1314612906.db2.gz AMVPSMCGNRGBGZ-ADEKHHIBSA-N 2 3 328.504 2.634 20 0 EFADHP COc1cccc(CC2(C[NH2+]C3C[C@H](C)N[C@@H](C)C3)CC[NH2+]CC2)c1 ZINC001246381686 1314619142 /nfs/dbraw/zinc/61/91/42/1314619142.db2.gz UCQNCYYOFMQXBV-IRXDYDNUSA-N 2 3 345.531 2.726 20 0 EFADHP COc1ccc(CC2(C[NH2+][C@H]3CCNC(C)(C)C3)CC[NH2+]CC2)cc1 ZINC001246384369 1314620322 /nfs/dbraw/zinc/62/03/22/1314620322.db2.gz BMSGKKPOMKCOFS-SFHVURJKSA-N 2 3 345.531 2.728 20 0 EFADHP CC1(C)C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246388130 1314620889 /nfs/dbraw/zinc/62/08/89/1314620889.db2.gz XNEIRXLRIFYPQQ-SFHVURJKSA-N 2 3 333.495 2.858 20 0 EFADHP COc1ccc(CC2(C[NH2+]C3C[C@H](C)N[C@@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246392835 1314622196 /nfs/dbraw/zinc/62/21/96/1314622196.db2.gz RTCDDUWMOBAHKH-IRXDYDNUSA-N 2 3 345.531 2.726 20 0 EFADHP CCCC[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246411565 1314626010 /nfs/dbraw/zinc/62/60/10/1314626010.db2.gz AQASNMANSWOSRZ-UXHICEINSA-N 2 3 344.547 2.894 20 0 EFADHP COc1cccc(C2(N[C@@H]3CCC4(C3)CC[NH2+]CC4)CC[NH2+]CC2)c1 ZINC001246417473 1314626673 /nfs/dbraw/zinc/62/66/73/1314626673.db2.gz XAYVIBQPLVNZDP-GOSISDBHSA-N 2 3 343.515 2.786 20 0 EFADHP CCCC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246418124 1314626744 /nfs/dbraw/zinc/62/67/44/1314626744.db2.gz BPFQGHNHZPVQEL-RTBURBONSA-N 2 3 344.547 2.894 20 0 EFADHP COc1ccccc1CC1(C[NH2+][C@@H]2CCNC(C)(C)C2)CC[NH2+]CC1 ZINC001246417609 1314627062 /nfs/dbraw/zinc/62/70/62/1314627062.db2.gz BFPJQUGDCXCSST-GOSISDBHSA-N 2 3 345.531 2.728 20 0 EFADHP FC(F)(F)c1ccc(C2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)cc1 ZINC001246416053 1314627076 /nfs/dbraw/zinc/62/70/76/1314627076.db2.gz MTNVCGUBFNZTIT-UHFFFAOYSA-N 2 3 341.421 2.668 20 0 EFADHP c1ccc(C2(CN[C@@H]3CC[NH2+]C4(CCCCC4)C3)CC[NH2+]CC2)nc1 ZINC001246428015 1314627722 /nfs/dbraw/zinc/62/77/22/1314627722.db2.gz OGGJCHMCIOSNKR-GOSISDBHSA-N 2 3 342.531 2.747 20 0 EFADHP Clc1cccc(CC2([NH2+][C@@H]3CCC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246429691 1314628334 /nfs/dbraw/zinc/62/83/34/1314628334.db2.gz PNLSBJNFIQHABD-QGZVFWFLSA-N 2 3 333.907 2.736 20 0 EFADHP C[C@@H](Cc1ccccc1Br)NCCC[NH2+]CCCC[NH3+] ZINC001246455008 1314630693 /nfs/dbraw/zinc/63/06/93/1314630693.db2.gz CXEXGAYEIJMMKB-AWEZNQCLSA-N 2 3 342.325 2.688 20 0 EFADHP CN(C)CCC[NH+](CCCN(C)C)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246821193 1314689952 /nfs/dbraw/zinc/68/99/52/1314689952.db2.gz IYBSVNARQLXZCD-UHFFFAOYSA-N 2 3 338.584 2.504 20 0 EFADHP COc1ccc(C[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246964041 1314717170 /nfs/dbraw/zinc/71/71/70/1314717170.db2.gz KHJBRNRPGRVTFC-FLQXLDSJSA-N 2 3 341.499 2.826 20 0 EFADHP COc1ccc(C[N@H+](C2C[C@@H]3C=C[C@H](C2)N3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246964041 1314717175 /nfs/dbraw/zinc/71/71/75/1314717175.db2.gz KHJBRNRPGRVTFC-FLQXLDSJSA-N 2 3 341.499 2.826 20 0 EFADHP CCN(CC)CC[C@H](C)[N@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952977 1315884063 /nfs/dbraw/zinc/88/40/63/1315884063.db2.gz PQNBFUOCYUAFRC-BZSNNMDCSA-N 2 3 325.541 2.858 20 0 EFADHP CCN(CC)CC[C@H](C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952977 1315884066 /nfs/dbraw/zinc/88/40/66/1315884066.db2.gz PQNBFUOCYUAFRC-BZSNNMDCSA-N 2 3 325.541 2.858 20 0 EFADHP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687049 1315981408 /nfs/dbraw/zinc/98/14/08/1315981408.db2.gz LCXHWDLZRFQYIF-OFVLBHHSSA-N 2 3 335.536 2.612 20 0 EFADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687049 1315981412 /nfs/dbraw/zinc/98/14/12/1315981412.db2.gz LCXHWDLZRFQYIF-OFVLBHHSSA-N 2 3 335.536 2.612 20 0 EFADHP CC(C)[NH+]1CCC(N2CCC(COCC[NH+]3CCCC3)CC2)CC1 ZINC001257213726 1316047189 /nfs/dbraw/zinc/04/71/89/1316047189.db2.gz UAPUTVNLCMOYCG-UHFFFAOYSA-N 2 3 337.552 2.684 20 0 EFADHP CC[NH+](CC)CCC[C@@H](C)N1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001258905120 1316190769 /nfs/dbraw/zinc/19/07/69/1316190769.db2.gz UWGMPFOLWPJWKH-GOSISDBHSA-N 2 3 332.536 2.928 20 0 EFADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+]2CCCCC2)CCCCC1 ZINC000849054796 1335059875 /nfs/dbraw/zinc/05/98/75/1335059875.db2.gz CJYPFQHAHUYDPM-GOSISDBHSA-N 2 3 349.567 2.773 20 0 EFADHP