smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC1CC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256853820 970995797 /nfs/dbraw/zinc/99/57/97/970995797.db2.gz UXXFTVIYVAQDNB-UHFFFAOYSA-N 2 3 246.358 1.130 20 0 BDADHP CC(C)[C@H]1C[C@H](N2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246539609 972536230 /nfs/dbraw/zinc/53/62/30/972536230.db2.gz SBIZGIRWRNRKDB-ZIAGYGMSSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC[C@H]2C)CCN1 ZINC001246104785 972166530 /nfs/dbraw/zinc/16/65/30/972166530.db2.gz BZFSFQOOFQQCER-MQYQWHSLSA-N 2 3 239.407 1.352 20 0 BDADHP C1CC12CNC[C@@H]2[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246131372 972187908 /nfs/dbraw/zinc/18/79/08/972187908.db2.gz JNRLLFPVMWIBPQ-MELADBBJSA-N 2 3 249.402 1.250 20 0 BDADHP C1CC12CNC[C@H]2[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246131424 972189286 /nfs/dbraw/zinc/18/92/86/972189286.db2.gz JWDQGGLXZYBEQF-CHWSQXEVSA-N 2 3 249.402 1.250 20 0 BDADHP [NH3+]C[C@@H]1CCC[C@H](C[NH2+]C2CCNCC2)C1 ZINC001246446125 972315079 /nfs/dbraw/zinc/31/50/79/972315079.db2.gz ACYNDSCCSWPSCC-NEPJUHHUSA-N 2 3 225.380 1.093 20 0 BDADHP [NH3+][C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001205093477 967339655 /nfs/dbraw/zinc/33/96/55/967339655.db2.gz AYJORKNJHDAPOC-STQMWFEESA-N 2 3 225.380 1.189 20 0 BDADHP C[NH+]1CCC(CCN2CCC[C@H]([NH3+])CC2)CC1 ZINC001205094857 967342196 /nfs/dbraw/zinc/34/21/96/967342196.db2.gz RGXQIAXDUVOXPO-AWEZNQCLSA-N 2 3 239.407 1.532 20 0 BDADHP C[C@]1([NH3+])CCCN(CC2(F)CC[NH2+]CC2)CC1 ZINC001205256092 967445938 /nfs/dbraw/zinc/44/59/38/967445938.db2.gz MWLCSUJGBAYYFB-LBPRGKRZSA-N 2 3 243.370 1.281 20 0 BDADHP C[C@@H]1CC[N@H+](CCCCCC[NH3+])C[C@@H]1N ZINC001205863502 967863638 /nfs/dbraw/zinc/86/36/38/967863638.db2.gz YZSHCTZCAYIVMF-NEPJUHHUSA-N 2 3 213.369 1.175 20 0 BDADHP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])C[C@@H]1N ZINC001205863502 967863639 /nfs/dbraw/zinc/86/36/39/967863639.db2.gz YZSHCTZCAYIVMF-NEPJUHHUSA-N 2 3 213.369 1.175 20 0 BDADHP C[NH2+]C1CCC([N@@H+]2CC[C@@H](C)[C@@H](CN)C2)CC1 ZINC001246548422 972685868 /nfs/dbraw/zinc/68/58/68/972685868.db2.gz GMDVCNLXEQYXHL-KBHBFKLGSA-N 2 3 239.407 1.434 20 0 BDADHP C[NH2+]C1CCC([N@H+]2CC[C@@H](C)[C@@H](CN)C2)CC1 ZINC001246548422 972685873 /nfs/dbraw/zinc/68/58/73/972685873.db2.gz GMDVCNLXEQYXHL-KBHBFKLGSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1C[C@@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246636073 973047083 /nfs/dbraw/zinc/04/70/83/973047083.db2.gz BPTRJDPOXZJPNK-STQMWFEESA-N 2 3 237.391 1.202 20 0 BDADHP C[C@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246636073 973047091 /nfs/dbraw/zinc/04/70/91/973047091.db2.gz BPTRJDPOXZJPNK-STQMWFEESA-N 2 3 237.391 1.202 20 0 BDADHP C[NH+]1CCC(CC[N@@H+]2C[C@H]3CC[C@@]3(N)C2)CC1 ZINC001235979950 979254622 /nfs/dbraw/zinc/25/46/22/979254622.db2.gz OTYZCYZXWTVJLR-ZIAGYGMSSA-N 2 3 237.391 1.141 20 0 BDADHP C[NH+]1CCC(CC[N@H+]2C[C@H]3CC[C@@]3(N)C2)CC1 ZINC001235979950 979254632 /nfs/dbraw/zinc/25/46/32/979254632.db2.gz OTYZCYZXWTVJLR-ZIAGYGMSSA-N 2 3 237.391 1.141 20 0 BDADHP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3CC[C@]3(N)C2)CC1 ZINC001235980962 979255744 /nfs/dbraw/zinc/25/57/44/979255744.db2.gz SQOCATRWCNZMMI-JSGCOSHPSA-N 2 3 237.391 1.141 20 0 BDADHP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3CC[C@]3(N)C2)CC1 ZINC001235980962 979255750 /nfs/dbraw/zinc/25/57/50/979255750.db2.gz SQOCATRWCNZMMI-JSGCOSHPSA-N 2 3 237.391 1.141 20 0 BDADHP C([C@H]1CCCCN1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314139 979523561 /nfs/dbraw/zinc/52/35/61/979523561.db2.gz HIYDIABESVXTMI-HZSPNIEDSA-N 2 3 237.391 1.060 20 0 BDADHP C([C@H]1CCCCN1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314139 979523570 /nfs/dbraw/zinc/52/35/70/979523570.db2.gz HIYDIABESVXTMI-HZSPNIEDSA-N 2 3 237.391 1.060 20 0 BDADHP C[C@]1([NH3+])CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC001205257204 979757598 /nfs/dbraw/zinc/75/75/98/979757598.db2.gz UAXJDMVAHBAVBM-KGLIPLIRSA-N 2 3 239.407 1.579 20 0 BDADHP CCN(CC)CC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577687584 984638616 /nfs/dbraw/zinc/63/86/16/984638616.db2.gz LICDGXQWMXFXAO-RWMBFGLXSA-N 2 3 227.396 1.434 20 0 BDADHP CC[NH+](CC)CCCCN[C@@H]1CCC[NH2+]C1 ZINC001246160982 987519925 /nfs/dbraw/zinc/51/99/25/987519925.db2.gz IDBBJMDRNUYIMU-CYBMUJFWSA-N 2 3 227.396 1.450 20 0 BDADHP CC[NH+](CC)CCCC[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246163127 987528665 /nfs/dbraw/zinc/52/86/65/987528665.db2.gz VUWYXLUYXKXZEB-UONOGXRCSA-N 2 3 241.423 1.839 20 0 BDADHP [NH3+][C@H]1CC[C@@H](CCN[C@H]2CCCC[NH2+]C2)CC1 ZINC001246202402 987598335 /nfs/dbraw/zinc/59/83/35/987598335.db2.gz OMJDFZWCEKZROK-MJBXVCDLSA-N 2 3 239.407 1.626 20 0 BDADHP C[C@H]1CC[C@H](NCC[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC001246201435 987600664 /nfs/dbraw/zinc/60/06/64/987600664.db2.gz HDLNXFHUPQUUAD-FQUUOJAGSA-N 2 3 239.407 1.624 20 0 BDADHP C[C@H](CCN)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246299381 987692712 /nfs/dbraw/zinc/69/27/12/987692712.db2.gz HRSAMOILZVUGEL-IYXRBSQSSA-N 2 3 239.407 1.626 20 0 BDADHP C[C@@H](CCN)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246300774 987698265 /nfs/dbraw/zinc/69/82/65/987698265.db2.gz OQYIINPXBZXMFU-LBPRGKRZSA-N 2 3 239.407 1.626 20 0 BDADHP C[C@H]1CC[C@H](NCCCCCCC[NH3+])C[NH2+]1 ZINC001246303783 987699788 /nfs/dbraw/zinc/69/97/88/987699788.db2.gz AOQGWRNFWLYSFI-STQMWFEESA-N 2 3 227.396 1.626 20 0 BDADHP [NH3+]CCCCCCCN[C@H]1CCC[NH2+]C1 ZINC001246308617 987708687 /nfs/dbraw/zinc/70/86/87/987708687.db2.gz RMLKIACNOKOPJH-LBPRGKRZSA-N 2 3 213.369 1.237 20 0 BDADHP C[NH+]1CCC(CCCN[C@@H]2CCC[NH2+]C2)CC1 ZINC001246367104 987772560 /nfs/dbraw/zinc/77/25/60/987772560.db2.gz YQOCHYATDMCBBA-CQSZACIVSA-N 2 3 239.407 1.450 20 0 BDADHP CN[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246493778 987846601 /nfs/dbraw/zinc/84/66/01/987846601.db2.gz FXTBPYYMBAUWPP-YIYPIFLZSA-N 2 3 237.391 1.249 20 0 BDADHP [NH3+]CCC[C@@H]1CCCC[N@@H+](C2CCNCC2)C1 ZINC001246494058 987846928 /nfs/dbraw/zinc/84/69/28/987846928.db2.gz BWMWZHXJWMBMLO-ZDUSSCGKSA-N 2 3 239.407 1.579 20 0 BDADHP [NH3+]CCC[C@@H]1CCCC[N@H+](C2CCNCC2)C1 ZINC001246494058 987846934 /nfs/dbraw/zinc/84/69/34/987846934.db2.gz BWMWZHXJWMBMLO-ZDUSSCGKSA-N 2 3 239.407 1.579 20 0 BDADHP C1[NH2+]CC12CC[C@@H]([N@@H+]1CCC[C@@]13CCCNC3)C2 ZINC001246611068 988236478 /nfs/dbraw/zinc/23/64/78/988236478.db2.gz RHYBSJZVHBQDNX-UKRRQHHQSA-N 2 3 249.402 1.347 20 0 BDADHP C1[NH2+]CC12CC[C@@H]([N@H+]1CCC[C@@]13CCCNC3)C2 ZINC001246611068 988236503 /nfs/dbraw/zinc/23/65/03/988236503.db2.gz RHYBSJZVHBQDNX-UKRRQHHQSA-N 2 3 249.402 1.347 20 0 BDADHP C1[NH2+]CC12CC[C@H]([N@@H+]1CCC[C@@]13CCCNC3)C2 ZINC001246611064 988242933 /nfs/dbraw/zinc/24/29/33/988242933.db2.gz RHYBSJZVHBQDNX-DZGCQCFKSA-N 2 3 249.402 1.347 20 0 BDADHP C1[NH2+]CC12CC[C@H]([N@H+]1CCC[C@@]13CCCNC3)C2 ZINC001246611064 988242952 /nfs/dbraw/zinc/24/29/52/988242952.db2.gz RHYBSJZVHBQDNX-DZGCQCFKSA-N 2 3 249.402 1.347 20 0 BDADHP CC(C)[C@H](N)CC[N@H+](C)CC1CC[NH2+]CC1 ZINC000337063539 187323509 /nfs/dbraw/zinc/32/35/09/187323509.db2.gz YUDOGGMANMNHRK-CYBMUJFWSA-N 2 3 227.396 1.291 20 0 BDADHP CC(C)[C@H](N)CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000337063539 187323511 /nfs/dbraw/zinc/32/35/11/187323511.db2.gz YUDOGGMANMNHRK-CYBMUJFWSA-N 2 3 227.396 1.291 20 0 BDADHP CC(C)[C@H]([NH3+])CCN(C)CC1CC[NH2+]CC1 ZINC000337063539 187323513 /nfs/dbraw/zinc/32/35/13/187323513.db2.gz YUDOGGMANMNHRK-CYBMUJFWSA-N 2 3 227.396 1.291 20 0 BDADHP CC(C)NCCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000569684667 323036899 /nfs/dbraw/zinc/03/68/99/323036899.db2.gz VXDJTAADKVBRFQ-LBPRGKRZSA-N 2 3 215.385 1.482 20 0 BDADHP [NH3+]C[C@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000516651729 323081308 /nfs/dbraw/zinc/08/13/08/323081308.db2.gz KIEHOFRYIRPGNF-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP NC[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000516651729 323081309 /nfs/dbraw/zinc/08/13/09/323081309.db2.gz KIEHOFRYIRPGNF-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP NC[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000516651729 323081310 /nfs/dbraw/zinc/08/13/10/323081310.db2.gz KIEHOFRYIRPGNF-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000635005875 345209913 /nfs/dbraw/zinc/20/99/13/345209913.db2.gz PSVDRQRLRNHGAG-XDQVBPFNSA-N 2 3 239.407 1.624 20 0 BDADHP C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000635005870 345210071 /nfs/dbraw/zinc/21/00/71/345210071.db2.gz PSVDRQRLRNHGAG-AAVRWANBSA-N 2 3 239.407 1.624 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000580646090 365841636 /nfs/dbraw/zinc/84/16/36/365841636.db2.gz DBBNJHJGGJACNY-QKEWWQLBSA-N 2 3 213.369 1.219 20 0 BDADHP CN(CC1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000334546609 353984507 /nfs/dbraw/zinc/98/45/07/353984507.db2.gz LHNQYPCQGYAMAT-PBWFPOADSA-N 2 3 237.391 1.201 20 0 BDADHP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCNCC1 ZINC000420313270 192212101 /nfs/dbraw/zinc/21/21/01/192212101.db2.gz PNBQXAYJQWHUSY-UONOGXRCSA-N 2 3 239.407 1.450 20 0 BDADHP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCNCC1 ZINC000420313270 192212103 /nfs/dbraw/zinc/21/21/03/192212103.db2.gz PNBQXAYJQWHUSY-UONOGXRCSA-N 2 3 239.407 1.450 20 0 BDADHP [NH3+]CC[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000442928014 193005418 /nfs/dbraw/zinc/00/54/18/193005418.db2.gz PAWYIXSTWLJVJQ-STQMWFEESA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000442928014 193005420 /nfs/dbraw/zinc/00/54/20/193005420.db2.gz PAWYIXSTWLJVJQ-STQMWFEESA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000442928014 193005423 /nfs/dbraw/zinc/00/54/23/193005423.db2.gz PAWYIXSTWLJVJQ-STQMWFEESA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000581132214 367271966 /nfs/dbraw/zinc/27/19/66/367271966.db2.gz DGGZHVPVMOWURG-IUODEOHRSA-N 2 3 247.386 1.575 20 0 BDADHP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000581132214 367271970 /nfs/dbraw/zinc/27/19/70/367271970.db2.gz DGGZHVPVMOWURG-IUODEOHRSA-N 2 3 247.386 1.575 20 0 BDADHP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000631868180 372670739 /nfs/dbraw/zinc/67/07/39/372670739.db2.gz ZQNHSPLMNSITMJ-MCIONIFRSA-N 2 3 237.391 1.108 20 0 BDADHP C[C@H]1C[C@H](CN2CCC(C)([NH3+])CC2)CC[NH2+]1 ZINC000647531013 384622883 /nfs/dbraw/zinc/62/28/83/384622883.db2.gz WDAHRSOYJDOWSC-NWDGAFQWSA-N 2 3 225.380 1.188 20 0 BDADHP NCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543234 384713196 /nfs/dbraw/zinc/71/31/96/384713196.db2.gz JTMPWXFWGRHZDY-OLZOCXBDSA-N 2 3 225.380 1.047 20 0 BDADHP NCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543234 384713200 /nfs/dbraw/zinc/71/32/00/384713200.db2.gz JTMPWXFWGRHZDY-OLZOCXBDSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]CCCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543234 384713206 /nfs/dbraw/zinc/71/32/06/384713206.db2.gz JTMPWXFWGRHZDY-OLZOCXBDSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@H](CCCC[NH3+])N[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647547182 384736188 /nfs/dbraw/zinc/73/61/88/384736188.db2.gz PZALJPALUJBDJS-TUAOUCFPSA-N 2 3 213.369 1.092 20 0 BDADHP CCC[NH2+]CCNC1CCC(C[NH3+])CC1 ZINC000414868171 385811562 /nfs/dbraw/zinc/81/15/62/385811562.db2.gz JNWJCSXBVIYVAI-UHFFFAOYSA-N 2 3 213.369 1.093 20 0 BDADHP C[C@@H]1C[C@H](CN2CC[C@@H]([NH3+])[C@H](C)C2)CC[NH2+]1 ZINC000414664085 386105640 /nfs/dbraw/zinc/10/56/40/386105640.db2.gz SYMOOAKSTVIFGQ-FDYHWXHSSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](N)[C@H](C)C2)CC[NH2+]1 ZINC000414664085 386105644 /nfs/dbraw/zinc/10/56/44/386105644.db2.gz SYMOOAKSTVIFGQ-FDYHWXHSSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](N)[C@H](C)C2)CC[NH2+]1 ZINC000414664085 386105648 /nfs/dbraw/zinc/10/56/48/386105648.db2.gz SYMOOAKSTVIFGQ-FDYHWXHSSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@H](N)[C@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655683 386082266 /nfs/dbraw/zinc/08/22/66/386082266.db2.gz DVAMRBDXQPUUGA-XQHKEYJVSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@H](N)[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655683 386082267 /nfs/dbraw/zinc/08/22/67/386082267.db2.gz DVAMRBDXQPUUGA-XQHKEYJVSA-N 2 3 225.380 1.044 20 0 BDADHP CCCC[N@H+](C)CC1CCN(CCC[NH3+])CC1 ZINC000414679871 386161890 /nfs/dbraw/zinc/16/18/90/386161890.db2.gz SGGQZEWKJVOJGF-UHFFFAOYSA-N 2 3 241.423 1.779 20 0 BDADHP CCCC[N@@H+](C)CC1CCN(CCC[NH3+])CC1 ZINC000414679871 386161895 /nfs/dbraw/zinc/16/18/95/386161895.db2.gz SGGQZEWKJVOJGF-UHFFFAOYSA-N 2 3 241.423 1.779 20 0 BDADHP CC[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647934661 386481352 /nfs/dbraw/zinc/48/13/52/386481352.db2.gz LZONIMLFNQQUPU-BFHYXJOUSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1N ZINC000647934661 386481358 /nfs/dbraw/zinc/48/13/58/386481358.db2.gz LZONIMLFNQQUPU-BFHYXJOUSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1N ZINC000647934661 386481363 /nfs/dbraw/zinc/48/13/63/386481363.db2.gz LZONIMLFNQQUPU-BFHYXJOUSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCCNC1 ZINC000414825348 386690588 /nfs/dbraw/zinc/69/05/88/386690588.db2.gz SHIVCJFWSCPXNM-AHPWVWPOSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@H](C[C@H]1CCC[NH2+]1)NCC[C@@H]1CC[NH2+]C1 ZINC000414843946 386767396 /nfs/dbraw/zinc/76/73/96/386767396.db2.gz DALWGSVMGQWHOF-FRRDWIJNSA-N 2 3 225.380 1.106 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000333830643 387057670 /nfs/dbraw/zinc/05/76/70/387057670.db2.gz MNAQASUQEGHWEO-RWMBFGLXSA-N 2 3 225.380 1.093 20 0 BDADHP CC(C)NCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000571753037 387162242 /nfs/dbraw/zinc/16/22/42/387162242.db2.gz NDRBLOIIARKPNC-UHFFFAOYSA-N 2 3 227.396 1.482 20 0 BDADHP C[C@H](CCCC[NH3+])N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423427128 387252672 /nfs/dbraw/zinc/25/26/72/387252672.db2.gz IEIXUYWTQBLZTN-UPJWGTAASA-N 2 3 227.396 1.624 20 0 BDADHP NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423463319 387310464 /nfs/dbraw/zinc/31/04/64/387310464.db2.gz FOMJYNDSWSSLNB-XQHKEYJVSA-N 2 3 225.380 1.221 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423462739 387310785 /nfs/dbraw/zinc/31/07/85/387310785.db2.gz DZRHFTORSDOHBL-XUXIUFHCSA-N 2 3 239.407 1.611 20 0 BDADHP NC[C@@H]1CCC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423470284 387317039 /nfs/dbraw/zinc/31/70/39/387317039.db2.gz DBRBZIBARFTIHM-YNEHKIRRSA-N 2 3 225.380 1.236 20 0 BDADHP NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423436499 387286053 /nfs/dbraw/zinc/28/60/53/387286053.db2.gz ZZFTXLXZRNVQEB-XDQVBPFNSA-N 2 3 239.407 1.469 20 0 BDADHP NC[C@@H]1CCC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423469708 387318156 /nfs/dbraw/zinc/31/81/56/387318156.db2.gz DBRBZIBARFTIHM-RWMBFGLXSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000423545689 387370787 /nfs/dbraw/zinc/37/07/87/387370787.db2.gz JWOHOCNZLLZDIM-QSLWVIQJSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCN1 ZINC000423545689 387370793 /nfs/dbraw/zinc/37/07/93/387370793.db2.gz JWOHOCNZLLZDIM-QSLWVIQJSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000423545682 387370982 /nfs/dbraw/zinc/37/09/82/387370982.db2.gz JWOHOCNZLLZDIM-MEBFFEOJSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCN1 ZINC000423545682 387370986 /nfs/dbraw/zinc/37/09/86/387370986.db2.gz JWOHOCNZLLZDIM-MEBFFEOJSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423479292 387325984 /nfs/dbraw/zinc/32/59/84/387325984.db2.gz MBZVQRLMNWPVCH-HZSPNIEDSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423479295 387326002 /nfs/dbraw/zinc/32/60/02/387326002.db2.gz MBZVQRLMNWPVCH-MGPQQGTHSA-N 2 3 239.407 1.496 20 0 BDADHP CCC[NH+]1CCC(C[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000422734079 387640666 /nfs/dbraw/zinc/64/06/66/387640666.db2.gz CGCMSJMMYMUREW-QWHCGFSZSA-N 2 3 241.423 1.824 20 0 BDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(CN(C)C)c1 ZINC000422809447 387707271 /nfs/dbraw/zinc/70/72/71/387707271.db2.gz PUAGFOGPVKWYDZ-ZDUSSCGKSA-N 2 3 249.402 1.965 20 0 BDADHP C[C@H](CC[NH2+][C@@H](C)CCC[NH3+])N1CCCCC1 ZINC000423034959 387851700 /nfs/dbraw/zinc/85/17/00/387851700.db2.gz QXKCFUYWCPCEJD-UONOGXRCSA-N 2 3 241.423 1.968 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423284248 388067160 /nfs/dbraw/zinc/06/71/60/388067160.db2.gz WTVBCWRFRZDVIV-UTUOFQBUSA-N 2 3 213.369 1.221 20 0 BDADHP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000229935973 388805074 /nfs/dbraw/zinc/80/50/74/388805074.db2.gz RRGDXJZHSPBHLQ-UONOGXRCSA-N 2 3 239.407 1.578 20 0 BDADHP [NH3+][C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCCNC2)C1 ZINC000564971284 388903604 /nfs/dbraw/zinc/90/36/04/388903604.db2.gz UMWGVPBIDYGDCH-RWMBFGLXSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@]1(CN2CCC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000261866387 135257822 /nfs/dbraw/zinc/25/78/22/135257822.db2.gz NZXYAMVBEWTCDS-OLZOCXBDSA-N 2 3 225.380 1.047 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747788 410388116 /nfs/dbraw/zinc/38/81/16/410388116.db2.gz HUZHWGKZUBMRQK-NWDGAFQWSA-N 2 3 225.380 1.223 20 0 BDADHP CN1CC=C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401005390 411169712 /nfs/dbraw/zinc/16/97/12/411169712.db2.gz BMNFXPDMDCKPOW-RBSFLKMASA-N 2 3 249.402 1.226 20 0 BDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000656200385 411204432 /nfs/dbraw/zinc/20/44/32/411204432.db2.gz LURBMTFQOXCYCW-MCIONIFRSA-N 2 3 239.407 1.578 20 0 BDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000656200385 411204435 /nfs/dbraw/zinc/20/44/35/411204435.db2.gz LURBMTFQOXCYCW-MCIONIFRSA-N 2 3 239.407 1.578 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000656201092 411206766 /nfs/dbraw/zinc/20/67/66/411206766.db2.gz SFPJSNWBJDKPDU-FVCCEPFGSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)[C@H]1CCN ZINC000652355681 411215381 /nfs/dbraw/zinc/21/53/81/411215381.db2.gz DHYHTRZUMXGEFS-MCIONIFRSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H]1CCN ZINC000652355681 411215383 /nfs/dbraw/zinc/21/53/83/411215383.db2.gz DHYHTRZUMXGEFS-MCIONIFRSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656786749 411366029 /nfs/dbraw/zinc/36/60/29/411366029.db2.gz QBIWGLHIKHRZSF-NWDGAFQWSA-N 2 3 247.386 1.548 20 0 BDADHP C[C@@H]1C[C@@H](CNC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000666770572 487877418 /nfs/dbraw/zinc/87/74/18/487877418.db2.gz KBLNUDZWHQTQFK-AGIUHOORSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H]([NH2+][C@@H]1CCNCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873272984 584128546 /nfs/dbraw/zinc/12/85/46/584128546.db2.gz XWPAWUDGTVLWQB-SGMGOOAPSA-N 2 3 239.407 1.352 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000902403185 584588371 /nfs/dbraw/zinc/58/83/71/584588371.db2.gz DNPXWJGQMFMNGE-SRVKXCTJSA-N 2 3 225.380 1.092 20 0 BDADHP CC1(C)C[C@@H](N)C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902491281 584617969 /nfs/dbraw/zinc/61/79/69/584617969.db2.gz WVKUCTKPEGMCDT-BJDJZHNGSA-N 2 3 225.380 1.219 20 0 BDADHP C[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CN ZINC000903458834 584765703 /nfs/dbraw/zinc/76/57/03/584765703.db2.gz LIJZXANOKKIXBT-LOWDOPEQSA-N 2 3 225.380 1.031 20 0 BDADHP C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CN ZINC000903458834 584765704 /nfs/dbraw/zinc/76/57/04/584765704.db2.gz LIJZXANOKKIXBT-LOWDOPEQSA-N 2 3 225.380 1.031 20 0 BDADHP C[C@H]1CCN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000903458834 584765705 /nfs/dbraw/zinc/76/57/05/584765705.db2.gz LIJZXANOKKIXBT-LOWDOPEQSA-N 2 3 225.380 1.031 20 0 BDADHP C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CCN ZINC000903461188 584766428 /nfs/dbraw/zinc/76/64/28/584766428.db2.gz OWEMMNFNNWDYCU-RFQIPJPRSA-N 2 3 239.407 1.563 20 0 BDADHP C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CCN ZINC000903461188 584766429 /nfs/dbraw/zinc/76/64/29/584766429.db2.gz OWEMMNFNNWDYCU-RFQIPJPRSA-N 2 3 239.407 1.563 20 0 BDADHP CCN(C)C[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445362 584769377 /nfs/dbraw/zinc/76/93/77/584769377.db2.gz JASVSIBHLFAREE-MCIONIFRSA-N 2 3 239.407 1.387 20 0 BDADHP CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445362 584769378 /nfs/dbraw/zinc/76/93/78/584769378.db2.gz JASVSIBHLFAREE-MCIONIFRSA-N 2 3 239.407 1.387 20 0 BDADHP [NH3+][C@]12CCC[C@@H]1CN(CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934013 584824798 /nfs/dbraw/zinc/82/47/98/584824798.db2.gz YWCVWBGVZOPFFJ-IWNKAIHXSA-N 2 3 249.402 1.330 20 0 BDADHP C[C@]1(C[NH2+]CCC[C@H]2CCC[NH2+]2)CCCNC1 ZINC000904354208 584870174 /nfs/dbraw/zinc/87/01/74/584870174.db2.gz CXFXUVCKNSQMQL-UONOGXRCSA-N 2 3 239.407 1.498 20 0 BDADHP NC1(C[NH2+]Cc2ccc(C[NH3+])cc2)CCC1 ZINC000904354030 584870292 /nfs/dbraw/zinc/87/02/92/584870292.db2.gz UNRQEWYZGNBPJE-UHFFFAOYSA-N 2 3 219.332 1.116 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CN ZINC000904373553 584874143 /nfs/dbraw/zinc/87/41/43/584874143.db2.gz SYNLNTRVAVDNEE-VEGXAWMVSA-N 2 3 225.380 1.029 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CN ZINC000904373553 584874145 /nfs/dbraw/zinc/87/41/45/584874145.db2.gz SYNLNTRVAVDNEE-VEGXAWMVSA-N 2 3 225.380 1.029 20 0 BDADHP CC1(C)CNCC[C@@H]([NH2+]C2CC(C[NH3+])C2)C1 ZINC000904385408 584877745 /nfs/dbraw/zinc/87/77/45/584877745.db2.gz XUGRRXHTUOMYAZ-MOENNCHZSA-N 2 3 225.380 1.092 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843344112 588101473 /nfs/dbraw/zinc/10/14/73/588101473.db2.gz QWQXCOGEAMGTGG-QWHCGFSZSA-N 2 3 227.396 1.613 20 0 BDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843344099 588101624 /nfs/dbraw/zinc/10/16/24/588101624.db2.gz QMBGDENJAXPNFD-CHWSQXEVSA-N 2 3 227.396 1.483 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843353064 588103094 /nfs/dbraw/zinc/10/30/94/588103094.db2.gz APVGWOHUMJFUOL-KBPBESRZSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843353064 588103096 /nfs/dbraw/zinc/10/30/96/588103096.db2.gz APVGWOHUMJFUOL-KBPBESRZSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@H]([NH3+])[C@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000843353064 588103098 /nfs/dbraw/zinc/10/30/98/588103098.db2.gz APVGWOHUMJFUOL-KBPBESRZSA-N 2 3 241.423 1.955 20 0 BDADHP CN(CCCCCC[NH3+])CC(C)(C)C[NH3+] ZINC000846217166 588260303 /nfs/dbraw/zinc/26/03/03/588260303.db2.gz BOQXNDQIXVXOOH-UHFFFAOYSA-N 2 3 215.385 1.422 20 0 BDADHP C[C@H]1CN(CCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000846217705 588260360 /nfs/dbraw/zinc/26/03/60/588260360.db2.gz MMLLYFWTFRKPJX-NWDGAFQWSA-N 2 3 213.369 1.175 20 0 BDADHP NCC[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846220321 588261207 /nfs/dbraw/zinc/26/12/07/588261207.db2.gz FXHXMLHPQNPTIJ-CYBMUJFWSA-N 2 3 227.396 1.709 20 0 BDADHP NCC[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846220321 588261208 /nfs/dbraw/zinc/26/12/08/588261208.db2.gz FXHXMLHPQNPTIJ-CYBMUJFWSA-N 2 3 227.396 1.709 20 0 BDADHP CC(C)[C@@H](CN)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000873200542 589992752 /nfs/dbraw/zinc/99/27/52/589992752.db2.gz CDEZBLIDLGKVLV-HIFPTAJRSA-N 2 3 227.396 1.419 20 0 BDADHP CC(C)[C@@H](CN)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000873200542 589992754 /nfs/dbraw/zinc/99/27/54/589992754.db2.gz CDEZBLIDLGKVLV-HIFPTAJRSA-N 2 3 227.396 1.419 20 0 BDADHP C[C@H]([NH2+][C@H]1CCC[C@@H]1CN)C1CC[NH2+]CC1 ZINC000873272481 590016127 /nfs/dbraw/zinc/01/61/27/590016127.db2.gz UCGHNTSLTYOEEI-UHTWSYAYSA-N 2 3 225.380 1.092 20 0 BDADHP C[C@@H]([NH2+][C@@H]1CCNCC[C@H]1C)C1CC[NH2+]CC1 ZINC000873270586 590016482 /nfs/dbraw/zinc/01/64/82/590016482.db2.gz XWPAWUDGTVLWQB-YRGRVCCFSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925706780 634392113 /nfs/dbraw/zinc/39/21/13/634392113.db2.gz KLOJWLZEUUTWMY-QNWHQSFQSA-N 2 3 239.407 1.480 20 0 BDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCNC12CCC2 ZINC000925709665 634407484 /nfs/dbraw/zinc/40/74/84/634407484.db2.gz PIMYNDRRBJHHTO-VZANTVGXSA-N 2 3 249.402 1.377 20 0 BDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@H]1CC[NH2+]C12CCC2 ZINC000925709665 634407492 /nfs/dbraw/zinc/40/74/92/634407492.db2.gz PIMYNDRRBJHHTO-VZANTVGXSA-N 2 3 249.402 1.377 20 0 BDADHP C[C@H]([NH3+])CCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925693075 634324889 /nfs/dbraw/zinc/32/48/89/634324889.db2.gz ODPAGDOIEBDSGX-GXTWGEPZSA-N 2 3 235.375 1.794 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925517332 646312170 /nfs/dbraw/zinc/31/21/70/646312170.db2.gz ADIYWFAWKURPPE-GFCCVEGCSA-N 2 3 225.380 1.202 20 0 BDADHP C[C@@H]([NH3+])[C@@H](NC1CCC([NH3+])CC1)c1ccccc1 ZINC000925689532 646417013 /nfs/dbraw/zinc/41/70/13/646417013.db2.gz BLRBEMNOGAAKLZ-GALLPEHLSA-N 2 3 247.386 1.934 20 0 BDADHP C1=C(CC[NH2+][C@@H]2CCNC23CCC3)CC[NH2+]C1 ZINC000925706180 646430975 /nfs/dbraw/zinc/43/09/75/646430975.db2.gz MKMICUMWYNUBQM-CYBMUJFWSA-N 2 3 235.375 1.170 20 0 BDADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CC([NH3+])C1 ZINC000925730110 646454076 /nfs/dbraw/zinc/45/40/76/646454076.db2.gz NEXJEFOPYPHRQE-JCXRDGCHSA-N 2 3 237.391 1.090 20 0 BDADHP [NH3+][C@@H]1CC[C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000925879437 646529276 /nfs/dbraw/zinc/52/92/76/646529276.db2.gz DQRJBHLWWIPZSG-DRABBMOASA-N 2 3 245.370 1.848 20 0 BDADHP C[C@@H]1CC[N@H+](CC2(C)CC[NH2+]CC2)C[C@H]1CN ZINC001205296172 967499460 /nfs/dbraw/zinc/49/94/60/967499460.db2.gz IIFZAYAWHVMGAL-CHWSQXEVSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CC[N@@H+](CC2(C)CC[NH2+]CC2)C[C@H]1CN ZINC001205296172 967499474 /nfs/dbraw/zinc/49/94/74/967499474.db2.gz IIFZAYAWHVMGAL-CHWSQXEVSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H](N)C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702109 979130695 /nfs/dbraw/zinc/13/06/95/979130695.db2.gz JKXCWXVRBUOBIR-LLVKDONJSA-N 2 3 225.380 1.045 20 0 BDADHP CC(C)[C@H]1C[C@@H](N2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246539506 972539346 /nfs/dbraw/zinc/53/93/46/972539346.db2.gz SBIZGIRWRNRKDB-UONOGXRCSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C[C@H]2C)CCN1 ZINC001246100620 972154496 /nfs/dbraw/zinc/15/44/96/972154496.db2.gz XIRUNHLXYPCARY-SYQHCUMBSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C[C@H]2C)CCN1 ZINC001246100364 972154808 /nfs/dbraw/zinc/15/48/08/972154808.db2.gz XIRUNHLXYPCARY-MQYQWHSLSA-N 2 3 239.407 1.352 20 0 BDADHP C1CC12CNC[C@@H]2[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246131371 972187159 /nfs/dbraw/zinc/18/71/59/972187159.db2.gz JNRLLFPVMWIBPQ-IHRRRGAJSA-N 2 3 249.402 1.250 20 0 BDADHP CCCC[C@H]1C[C@H]([NH2+]CCCC[NH2+]C)CCN1 ZINC001246206104 972216764 /nfs/dbraw/zinc/21/67/64/972216764.db2.gz XMJGENXVFCTZSI-UONOGXRCSA-N 2 3 241.423 1.886 20 0 BDADHP C[C@H]1C[C@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)CCN1 ZINC001246494111 972354599 /nfs/dbraw/zinc/35/45/99/972354599.db2.gz HJNSJLOKCBAMGR-MRFVTOPCSA-N 2 3 237.391 1.249 20 0 BDADHP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@]12CCCNC2 ZINC001222232005 972411686 /nfs/dbraw/zinc/41/16/86/972411686.db2.gz SANOKWPXRGLPJY-AWEZNQCLSA-N 2 3 237.391 1.204 20 0 BDADHP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@]12CCCNC2 ZINC001222232005 972411693 /nfs/dbraw/zinc/41/16/93/972411693.db2.gz SANOKWPXRGLPJY-AWEZNQCLSA-N 2 3 237.391 1.204 20 0 BDADHP [NH3+][C@H]1CCCN(CCC2CC[NH2+]CC2)CC1 ZINC001205089074 967340735 /nfs/dbraw/zinc/34/07/35/967340735.db2.gz XBIFJCFERLACKK-ZDUSSCGKSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1N ZINC001205863490 967862237 /nfs/dbraw/zinc/86/22/37/967862237.db2.gz YIORQBNFWIZVNZ-AGIUHOORSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1N ZINC001205863490 967862241 /nfs/dbraw/zinc/86/22/41/967862241.db2.gz YIORQBNFWIZVNZ-AGIUHOORSA-N 2 3 225.380 1.045 20 0 BDADHP [NH3+]C[C@@H]1CCCCN(CC2(F)CC[NH2+]CC2)C1 ZINC001206606841 968415040 /nfs/dbraw/zinc/41/50/40/968415040.db2.gz UUANOJRZPBFCFK-LBPRGKRZSA-N 2 3 243.370 1.139 20 0 BDADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001205905225 983130835 /nfs/dbraw/zinc/13/08/35/983130835.db2.gz ZJNWWDAJWTXZHG-OCCSQVGLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1[C@H](CN)CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001205905225 983130842 /nfs/dbraw/zinc/13/08/42/983130842.db2.gz ZJNWWDAJWTXZHG-OCCSQVGLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]1CC[C@H](NCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105509 987433387 /nfs/dbraw/zinc/43/33/87/987433387.db2.gz MQKYXCOQVLZMBU-AAEUAGOBSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CCCC2CC[NH2+]CC2)CCN1 ZINC001246106304 987437816 /nfs/dbraw/zinc/43/78/16/987437816.db2.gz PKEOJITZFBLBBC-OCCSQVGLSA-N 2 3 239.407 1.496 20 0 BDADHP CCN1CCC([NH2+]C[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC001246121847 987469692 /nfs/dbraw/zinc/46/96/92/987469692.db2.gz UKEJWJYXVMZHGQ-QWHCGFSZSA-N 2 3 239.407 1.306 20 0 BDADHP C[NH+](C)CCCCCN[C@H]1CCC[NH2+]C1 ZINC001246170940 987478984 /nfs/dbraw/zinc/47/89/84/987478984.db2.gz PBYMNVGIJKQLKU-LBPRGKRZSA-N 2 3 213.369 1.060 20 0 BDADHP C1CC12CNC[C@@H]2[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246134173 987489135 /nfs/dbraw/zinc/48/91/35/987489135.db2.gz PPARKBVEWHLTMS-MOKVOYLWSA-N 2 3 249.402 1.250 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001246168597 987531312 /nfs/dbraw/zinc/53/13/12/987531312.db2.gz DYVJZSOMHNRMRX-RYUDHWBXSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H]1CC[C@@H](NCC[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC001246201473 987599943 /nfs/dbraw/zinc/59/99/43/987599943.db2.gz HDLNXFHUPQUUAD-YIYPIFLZSA-N 2 3 239.407 1.624 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CCN1 ZINC001246366437 987772915 /nfs/dbraw/zinc/77/29/15/987772915.db2.gz IXQHHNKHHIOLSG-YIYPIFLZSA-N 2 3 239.407 1.589 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CCN1 ZINC001246379273 987777264 /nfs/dbraw/zinc/77/72/64/987777264.db2.gz MOFPKESKSVYZKN-YPMHNXCESA-N 2 3 237.391 1.249 20 0 BDADHP C1[C@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C12CNC2 ZINC001246445149 987803815 /nfs/dbraw/zinc/80/38/15/987803815.db2.gz MVLBKOKDHKUDAV-MOKVOYLWSA-N 2 3 249.402 1.250 20 0 BDADHP C1[C@H](NC2CCC3(CCC[NH2+]C3)CC2)C12C[NH2+]C2 ZINC001246445149 987803820 /nfs/dbraw/zinc/80/38/20/987803820.db2.gz MVLBKOKDHKUDAV-MOKVOYLWSA-N 2 3 249.402 1.250 20 0 BDADHP C[C@H]1C[C@H]([NH2+]CCc2ccc(C[NH3+])cc2)CCN1 ZINC001246482712 987842188 /nfs/dbraw/zinc/84/21/88/987842188.db2.gz IHSPDFSRKVRREO-SWLSCSKDSA-N 2 3 247.386 1.418 20 0 BDADHP CC1(CN)C[NH+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246602151 988208085 /nfs/dbraw/zinc/20/80/85/988208085.db2.gz VXCOOMOJRQAXCH-GXTWGEPZSA-N 2 3 237.391 1.189 20 0 BDADHP CC1(C[NH3+])CN([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246602151 988208101 /nfs/dbraw/zinc/20/81/01/988208101.db2.gz VXCOOMOJRQAXCH-GXTWGEPZSA-N 2 3 237.391 1.189 20 0 BDADHP C[N@H+](CCCN)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246680880 988430399 /nfs/dbraw/zinc/43/03/99/988430399.db2.gz MPIFZLCENCMCRZ-UHFFFAOYSA-N 2 3 239.407 1.579 20 0 BDADHP C[N@@H+](CCCN)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246680880 988430403 /nfs/dbraw/zinc/43/04/03/988430403.db2.gz MPIFZLCENCMCRZ-UHFFFAOYSA-N 2 3 239.407 1.579 20 0 BDADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000577062434 365799316 /nfs/dbraw/zinc/79/93/16/365799316.db2.gz FGGIVERFWJSGNC-IUODEOHRSA-N 2 3 247.386 1.623 20 0 BDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000634991051 345174253 /nfs/dbraw/zinc/17/42/53/345174253.db2.gz OAUXRWDJHLJLIW-DGCLKSJQSA-N 2 3 227.396 1.277 20 0 BDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@@H](C)[NH3+])CC1 ZINC000634991051 345174257 /nfs/dbraw/zinc/17/42/57/345174257.db2.gz OAUXRWDJHLJLIW-DGCLKSJQSA-N 2 3 227.396 1.277 20 0 BDADHP CC(C)[C@@H](C[NH3+])CNCc1ccc(C[NH3+])cc1 ZINC000634996750 345193473 /nfs/dbraw/zinc/19/34/73/345193473.db2.gz TYRGWOOAYRXPHQ-AWEZNQCLSA-N 2 3 235.375 1.466 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003420 345206378 /nfs/dbraw/zinc/20/63/78/345206378.db2.gz DBBNJHJGGJACNY-BJDJZHNGSA-N 2 3 213.369 1.219 20 0 BDADHP C[C@@H]([NH3+])C[C@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000635004845 345208744 /nfs/dbraw/zinc/20/87/44/345208744.db2.gz QKBAMRNUPUHFTL-NEPJUHHUSA-N 2 3 247.386 1.548 20 0 BDADHP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@H](N)C1)C1CC1 ZINC000577231800 365893858 /nfs/dbraw/zinc/89/38/58/365893858.db2.gz RCVBLLSWSCTAOV-QWHCGFSZSA-N 2 3 239.407 1.720 20 0 BDADHP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H](N)C1)C1CC1 ZINC000577231800 365893866 /nfs/dbraw/zinc/89/38/66/365893866.db2.gz RCVBLLSWSCTAOV-QWHCGFSZSA-N 2 3 239.407 1.720 20 0 BDADHP CCN(C)C[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420324885 192228846 /nfs/dbraw/zinc/22/88/46/192228846.db2.gz VPDJHLRXZHCAOU-ZIAGYGMSSA-N 2 3 239.407 1.260 20 0 BDADHP CCN(C)C[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420324885 192228847 /nfs/dbraw/zinc/22/88/47/192228847.db2.gz VPDJHLRXZHCAOU-ZIAGYGMSSA-N 2 3 239.407 1.260 20 0 BDADHP CC[N@H+](C)C[C@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420324885 192228849 /nfs/dbraw/zinc/22/88/49/192228849.db2.gz VPDJHLRXZHCAOU-ZIAGYGMSSA-N 2 3 239.407 1.260 20 0 BDADHP CC[N@@H+](C)C[C@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420324885 192228851 /nfs/dbraw/zinc/22/88/51/192228851.db2.gz VPDJHLRXZHCAOU-ZIAGYGMSSA-N 2 3 239.407 1.260 20 0 BDADHP CC1(C)CNCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420361817 192221620 /nfs/dbraw/zinc/22/16/20/192221620.db2.gz MSZOTQDFYCQOHK-QWHCGFSZSA-N 2 3 239.407 1.354 20 0 BDADHP CC1(C)CNCC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420361819 192222256 /nfs/dbraw/zinc/22/22/56/192222256.db2.gz MSZOTQDFYCQOHK-STQMWFEESA-N 2 3 239.407 1.354 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000583882659 358118250 /nfs/dbraw/zinc/11/82/50/358118250.db2.gz OWUONGRVVXXLFZ-AGIUHOORSA-N 2 3 225.380 1.378 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000580963527 367221296 /nfs/dbraw/zinc/22/12/96/367221296.db2.gz SHLDGJQHHFFLNE-IJLUTSLNSA-N 2 3 213.369 1.363 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000580893481 367199787 /nfs/dbraw/zinc/19/97/87/367199787.db2.gz SQPNDKWHRZAEBU-MQLXINIDSA-N 2 3 237.391 1.234 20 0 BDADHP C[C@@H](CCCC[NH3+])N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647547180 384736351 /nfs/dbraw/zinc/73/63/51/384736351.db2.gz PZALJPALUJBDJS-SDDRHHMPSA-N 2 3 213.369 1.092 20 0 BDADHP C(CNC1CC1)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547732 384751308 /nfs/dbraw/zinc/75/13/08/384751308.db2.gz ATUPVBFUWCKZCY-YRGRVCCFSA-N 2 3 237.391 1.106 20 0 BDADHP CN1[C@@H]2CC[C@H]1CC([NH2+]CC1=CC[N@H+](C)CC1)C2 ZINC000377080781 384981891 /nfs/dbraw/zinc/98/18/91/384981891.db2.gz VKXFJZVHHXWVBA-GOOCMWNKSA-N 2 3 249.402 1.463 20 0 BDADHP CN1[C@@H]2CC[C@H]1CC([NH2+]CC1=CC[N@@H+](C)CC1)C2 ZINC000377080781 384981897 /nfs/dbraw/zinc/98/18/97/384981897.db2.gz VKXFJZVHHXWVBA-GOOCMWNKSA-N 2 3 249.402 1.463 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335037665 385928294 /nfs/dbraw/zinc/92/82/94/385928294.db2.gz DCSISZRXUWAKIS-OCCSQVGLSA-N 2 3 239.407 1.306 20 0 BDADHP C(C[NH2+]C[C@@H]1CCCNC1)C[C@@H]1CCC[NH2+]1 ZINC000414960937 385881787 /nfs/dbraw/zinc/88/17/87/385881787.db2.gz AVRJXJJVJSLUDN-CHWSQXEVSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665202 386107961 /nfs/dbraw/zinc/10/79/61/386107961.db2.gz UUJDOEKVCJTPSP-XJFOESAGSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665202 386107968 /nfs/dbraw/zinc/10/79/68/386107968.db2.gz UUJDOEKVCJTPSP-XJFOESAGSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665195 386109211 /nfs/dbraw/zinc/10/92/11/386109211.db2.gz UUJDOEKVCJTPSP-AAVRWANBSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665195 386109220 /nfs/dbraw/zinc/10/92/20/386109220.db2.gz UUJDOEKVCJTPSP-AAVRWANBSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNCC2(C)C)CC[NH2+]1 ZINC000414983449 386085372 /nfs/dbraw/zinc/08/53/72/386085372.db2.gz ZQVHSSDJXAKEJU-JHJVBQTASA-N 2 3 239.407 1.352 20 0 BDADHP CC(C)[C@@H](N)CC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414662394 386099298 /nfs/dbraw/zinc/09/92/98/386099298.db2.gz QAZJXZJSRPKKFN-RDBSUJKOSA-N 2 3 241.423 1.680 20 0 BDADHP CC(C)[C@@H](N)CC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414662394 386099305 /nfs/dbraw/zinc/09/93/05/386099305.db2.gz QAZJXZJSRPKKFN-RDBSUJKOSA-N 2 3 241.423 1.680 20 0 BDADHP CC(C)[C@@H]([NH3+])CCN(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414662394 386099309 /nfs/dbraw/zinc/09/93/09/386099309.db2.gz QAZJXZJSRPKKFN-RDBSUJKOSA-N 2 3 241.423 1.680 20 0 BDADHP C[C@@H]1C[C@H](CN2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414770134 386456798 /nfs/dbraw/zinc/45/67/98/386456798.db2.gz XTROPQCYCOZFIP-MCIONIFRSA-N 2 3 237.391 1.060 20 0 BDADHP C[C@H]1C[C@@H](C[NH2+]CCCNC2CC2)CC[NH2+]1 ZINC000415067347 386546893 /nfs/dbraw/zinc/54/68/93/386546893.db2.gz KRNROWAETFWZKL-RYUDHWBXSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+]C[C@@]2(C)CCCNC2)CC[NH2+]1 ZINC000414919825 386564480 /nfs/dbraw/zinc/56/44/80/386564480.db2.gz XWYZNRUVJIDVKW-MCIONIFRSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)CC[NH2+]1 ZINC000414811861 386626485 /nfs/dbraw/zinc/62/64/85/386626485.db2.gz WTYJSZJKDJRABW-YIYPIFLZSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@@H](CCCC[NH3+])NCC[C@H]1CCC[NH2+]1 ZINC000423356748 387208036 /nfs/dbraw/zinc/20/80/36/387208036.db2.gz KGABEWCXVOGOKJ-NWDGAFQWSA-N 2 3 213.369 1.236 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423462735 387311269 /nfs/dbraw/zinc/31/12/69/387311269.db2.gz DZRHFTORSDOHBL-FQUUOJAGSA-N 2 3 239.407 1.611 20 0 BDADHP C[C@H](NCCC[C@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423465977 387312798 /nfs/dbraw/zinc/31/27/98/387312798.db2.gz AGTITRPOTRULHB-MELADBBJSA-N 2 3 239.407 1.639 20 0 BDADHP CC[C@@H](N[C@H](C)CCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423430523 387266426 /nfs/dbraw/zinc/26/64/26/387266426.db2.gz KZASDHNGOMUQMS-UPJWGTAASA-N 2 3 227.396 1.624 20 0 BDADHP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H]1CCCN1 ZINC000423430523 387266431 /nfs/dbraw/zinc/26/64/31/387266431.db2.gz KZASDHNGOMUQMS-UPJWGTAASA-N 2 3 227.396 1.624 20 0 BDADHP C[C@@H](CCCC[NH3+])NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423391414 387275695 /nfs/dbraw/zinc/27/56/95/387275695.db2.gz PKAKSMGPHJUNMP-STQMWFEESA-N 2 3 241.423 1.872 20 0 BDADHP C[C@H](CCC[NH3+])N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423450043 387300280 /nfs/dbraw/zinc/30/02/80/387300280.db2.gz HCIYYMJDEQVWHE-IJLUTSLNSA-N 2 3 213.369 1.234 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423527289 387355377 /nfs/dbraw/zinc/35/53/77/387355377.db2.gz MFPIXZDIFGAOHB-VHDGCEQUSA-N 2 3 247.386 1.459 20 0 BDADHP C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1CN ZINC000422637597 387610905 /nfs/dbraw/zinc/61/09/05/387610905.db2.gz OZXCOXLNWNRUJM-RQJABVFESA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1CN ZINC000422637597 387610911 /nfs/dbraw/zinc/61/09/11/387610911.db2.gz OZXCOXLNWNRUJM-RQJABVFESA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@H](C)N(CC[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000422637597 387610912 /nfs/dbraw/zinc/61/09/12/387610912.db2.gz OZXCOXLNWNRUJM-RQJABVFESA-N 2 3 239.407 1.291 20 0 BDADHP CC[NH+]1CCC(CC[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000422785702 387684409 /nfs/dbraw/zinc/68/44/09/387684409.db2.gz NWYDRKXUSNFPLD-STQMWFEESA-N 2 3 241.423 1.824 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423088841 387880928 /nfs/dbraw/zinc/88/09/28/387880928.db2.gz QXAZHXOWWUUGSW-VXGBXAGGSA-N 2 3 239.407 1.576 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423161760 387943148 /nfs/dbraw/zinc/94/31/48/387943148.db2.gz JNYMTTYZXZOIHJ-NWDGAFQWSA-N 2 3 227.396 1.576 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423161760 387943150 /nfs/dbraw/zinc/94/31/50/387943150.db2.gz JNYMTTYZXZOIHJ-NWDGAFQWSA-N 2 3 227.396 1.576 20 0 BDADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000423275075 388057085 /nfs/dbraw/zinc/05/70/85/388057085.db2.gz MSSLCNKSIDISOX-GFJIZPEISA-N 2 3 239.407 1.576 20 0 BDADHP C[N@H+]1CC=C(CN[C@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000336345883 388457902 /nfs/dbraw/zinc/45/79/02/388457902.db2.gz HDHWVJXYTVQFAI-GJZGRUSLSA-N 2 3 249.402 1.465 20 0 BDADHP C[N@@H+]1CC=C(CN[C@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000336345883 388457905 /nfs/dbraw/zinc/45/79/05/388457905.db2.gz HDHWVJXYTVQFAI-GJZGRUSLSA-N 2 3 249.402 1.465 20 0 BDADHP C[NH+]1CC=C(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000336345883 388457907 /nfs/dbraw/zinc/45/79/07/388457907.db2.gz HDHWVJXYTVQFAI-GJZGRUSLSA-N 2 3 249.402 1.465 20 0 BDADHP C[NH+]1CC=C(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000336345883 388457910 /nfs/dbraw/zinc/45/79/10/388457910.db2.gz HDHWVJXYTVQFAI-GJZGRUSLSA-N 2 3 249.402 1.465 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000520837670 388537692 /nfs/dbraw/zinc/53/76/92/388537692.db2.gz DBIOITSCESYYQA-SYQHCUMBSA-N 2 3 239.407 1.611 20 0 BDADHP [NH3+]CC1CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000530217642 388630076 /nfs/dbraw/zinc/63/00/76/388630076.db2.gz URWNAXHJPDWMLU-BPCQOVAHSA-N 2 3 237.391 1.378 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNC23CCC3)CC[NH2+]1 ZINC000530245088 388638819 /nfs/dbraw/zinc/63/88/19/388638819.db2.gz SSRBUQXHDGVEHA-JHJVBQTASA-N 2 3 237.391 1.249 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000084216685 135192800 /nfs/dbraw/zinc/19/28/00/135192800.db2.gz CVURJXWSTSIQKH-YWPUVAFDSA-N 2 3 225.380 1.363 20 0 BDADHP C[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CC[NH+](C)CC1 ZINC000383660652 398032931 /nfs/dbraw/zinc/03/29/31/398032931.db2.gz JGMCYRIOWVKLPN-QWHCGFSZSA-N 2 3 241.423 1.504 20 0 BDADHP C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@H]1CCN ZINC000650712144 410342065 /nfs/dbraw/zinc/34/20/65/410342065.db2.gz SJDCVVJKDZBZGI-JSGCOSHPSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1CCN ZINC000650712144 410342073 /nfs/dbraw/zinc/34/20/73/410342073.db2.gz SJDCVVJKDZBZGI-JSGCOSHPSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](C[C@@H]1CCC[NH2+]1)NCCC1(C[NH3+])CC1 ZINC000650714104 410347287 /nfs/dbraw/zinc/34/72/87/410347287.db2.gz RLSNTVSNMKKYFD-NEPJUHHUSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@H]([NH2+]C[C@H]1CCCN1)C1CC[NH+](C)CC1 ZINC000396458297 410881600 /nfs/dbraw/zinc/88/16/00/410881600.db2.gz OGYMXMUNIAEWDK-WCQYABFASA-N 2 3 225.380 1.058 20 0 BDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000656200384 411204233 /nfs/dbraw/zinc/20/42/33/411204233.db2.gz LURBMTFQOXCYCW-HZSPNIEDSA-N 2 3 239.407 1.578 20 0 BDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000656200384 411204237 /nfs/dbraw/zinc/20/42/37/411204237.db2.gz LURBMTFQOXCYCW-HZSPNIEDSA-N 2 3 239.407 1.578 20 0 BDADHP N[C@H]1CCC[C@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000656200357 411204258 /nfs/dbraw/zinc/20/42/58/411204258.db2.gz KEDJADBFEVIGRR-STQMWFEESA-N 2 3 225.380 1.236 20 0 BDADHP C[C@@H]1C[C@H](CNC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000666770575 487877402 /nfs/dbraw/zinc/87/74/02/487877402.db2.gz KBLNUDZWHQTQFK-UPJWGTAASA-N 2 3 225.380 1.106 20 0 BDADHP CC(C)(C)NCC[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955423 487916870 /nfs/dbraw/zinc/91/68/70/487916870.db2.gz JGNIIVPPHUOWOZ-LLVKDONJSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H]([NH3+])[C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000567896414 323097979 /nfs/dbraw/zinc/09/79/79/323097979.db2.gz JVQOICJXHKWJBL-RWMBFGLXSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000567896414 323097980 /nfs/dbraw/zinc/09/79/80/323097980.db2.gz JVQOICJXHKWJBL-RWMBFGLXSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000567896414 323097981 /nfs/dbraw/zinc/09/79/81/323097981.db2.gz JVQOICJXHKWJBL-RWMBFGLXSA-N 2 3 225.380 1.045 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000573020541 326425049 /nfs/dbraw/zinc/42/50/49/326425049.db2.gz OFFZUXIVALZQDV-UPJWGTAASA-N 2 3 225.380 1.236 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000656200815 488066122 /nfs/dbraw/zinc/06/61/22/488066122.db2.gz QZYUDBPYTMPMCE-MQYQWHSLSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]([NH3+])c1ccc(CNCCC[NH3+])cc1 ZINC000414809147 488084103 /nfs/dbraw/zinc/08/41/03/488084103.db2.gz GFHSIECARFMJBI-JTQLQIEISA-N 2 3 207.321 1.145 20 0 BDADHP CC1(C)C[NH2+]CC[C@H](NCC2=CC[NH2+]CC2)C1 ZINC000902393962 584583609 /nfs/dbraw/zinc/58/36/09/584583609.db2.gz SMFCWCFUGQVOGH-ZDUSSCGKSA-N 2 3 237.391 1.274 20 0 BDADHP [NH3+]C[C@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000902488939 584627322 /nfs/dbraw/zinc/62/73/22/584627322.db2.gz OTGNKSWGZGCCFL-HTVCTNPSSA-N 2 3 237.391 1.234 20 0 BDADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902489007 584627359 /nfs/dbraw/zinc/62/73/59/584627359.db2.gz PRVOJFXHVSQKIF-XUXIUFHCSA-N 2 3 239.407 1.624 20 0 BDADHP C[N@H+](C[C@H]1CCCCNC1)C1CCC([NH3+])CC1 ZINC000903717396 584792472 /nfs/dbraw/zinc/79/24/72/584792472.db2.gz QGHPRGYXDAQRPV-HSBZDZAISA-N 2 3 239.407 1.578 20 0 BDADHP C[N@@H+](C[C@H]1CCCCNC1)C1CCC([NH3+])CC1 ZINC000903717396 584792473 /nfs/dbraw/zinc/79/24/73/584792473.db2.gz QGHPRGYXDAQRPV-HSBZDZAISA-N 2 3 239.407 1.578 20 0 BDADHP C[NH2+]CCCN1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790378 584798737 /nfs/dbraw/zinc/79/87/37/584798737.db2.gz FIHXJAMVNSUYRK-UHFFFAOYSA-N 2 3 227.396 1.293 20 0 BDADHP C[C@H](N)[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872730 584815275 /nfs/dbraw/zinc/81/52/75/584815275.db2.gz AYNBZVPKVQCFFW-FJCXZIGKSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@H](N)[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872730 584815276 /nfs/dbraw/zinc/81/52/76/584815276.db2.gz AYNBZVPKVQCFFW-FJCXZIGKSA-N 2 3 237.391 1.186 20 0 BDADHP CC(C)(N)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000903939322 584825022 /nfs/dbraw/zinc/82/50/22/584825022.db2.gz FXMYSQRDVIPFCA-QJPTWQEYSA-N 2 3 225.380 1.092 20 0 BDADHP C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904299708 584860903 /nfs/dbraw/zinc/86/09/03/584860903.db2.gz MDDHFADAUOGDAY-WFASDCNBSA-N 2 3 247.386 1.705 20 0 BDADHP [NH3+]CC[C@H]1CCCCN1Cc1ccc(C[NH3+])cc1 ZINC000904351418 584869285 /nfs/dbraw/zinc/86/92/85/584869285.db2.gz YBVMZIVWWGECTP-OAHLLOKOSA-N 2 3 247.386 1.849 20 0 BDADHP C[C@@]1(C[NH2+]CCC[C@H]2CCC[NH2+]2)CCCNC1 ZINC000904354206 584870543 /nfs/dbraw/zinc/87/05/43/584870543.db2.gz CXFXUVCKNSQMQL-KBPBESRZSA-N 2 3 239.407 1.498 20 0 BDADHP C[C@H]1CCN(Cc2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000904372220 584873109 /nfs/dbraw/zinc/87/31/09/584873109.db2.gz ZSSIOLDTMIPQMQ-SWLSCSKDSA-N 2 3 247.386 1.562 20 0 BDADHP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CN ZINC000904373552 584873999 /nfs/dbraw/zinc/87/39/99/584873999.db2.gz SYNLNTRVAVDNEE-MLGHIDQZSA-N 2 3 225.380 1.029 20 0 BDADHP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CN ZINC000904373552 584874000 /nfs/dbraw/zinc/87/40/00/584874000.db2.gz SYNLNTRVAVDNEE-MLGHIDQZSA-N 2 3 225.380 1.029 20 0 BDADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843344054 588101581 /nfs/dbraw/zinc/10/15/81/588101581.db2.gz OHKSZWIFCFWDCJ-RYUDHWBXSA-N 2 3 213.369 1.223 20 0 BDADHP CC[C@H]1CN(CCCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000843378079 588105917 /nfs/dbraw/zinc/10/59/17/588105917.db2.gz ZBQDXGJVARFLTL-KBPBESRZSA-N 2 3 241.423 1.955 20 0 BDADHP CC[C@H]1C[N@H+](CCCCCCC[NH3+])CC[C@@H]1N ZINC000843378079 588105918 /nfs/dbraw/zinc/10/59/18/588105918.db2.gz ZBQDXGJVARFLTL-KBPBESRZSA-N 2 3 241.423 1.955 20 0 BDADHP CC[C@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@@H]1N ZINC000843378079 588105921 /nfs/dbraw/zinc/10/59/21/588105921.db2.gz ZBQDXGJVARFLTL-KBPBESRZSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846217967 588260340 /nfs/dbraw/zinc/26/03/40/588260340.db2.gz PPGDIKDSEQDOLZ-QWHCGFSZSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846217967 588260341 /nfs/dbraw/zinc/26/03/41/588260341.db2.gz PPGDIKDSEQDOLZ-QWHCGFSZSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@H]([NH3+])[C@@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846217967 588260342 /nfs/dbraw/zinc/26/03/42/588260342.db2.gz PPGDIKDSEQDOLZ-QWHCGFSZSA-N 2 3 227.396 1.565 20 0 BDADHP CC[C@@H]1CN(CCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000846220806 588261175 /nfs/dbraw/zinc/26/11/75/588261175.db2.gz VFBBNUKNPVROSP-CHWSQXEVSA-N 2 3 227.396 1.565 20 0 BDADHP CC[C@@H]1C[N@H+](CCCCCC[NH3+])CC[C@H]1N ZINC000846220806 588261176 /nfs/dbraw/zinc/26/11/76/588261176.db2.gz VFBBNUKNPVROSP-CHWSQXEVSA-N 2 3 227.396 1.565 20 0 BDADHP CC[C@@H]1C[N@@H+](CCCCCC[NH3+])CC[C@H]1N ZINC000846220806 588261177 /nfs/dbraw/zinc/26/11/77/588261177.db2.gz VFBBNUKNPVROSP-CHWSQXEVSA-N 2 3 227.396 1.565 20 0 BDADHP CC[C@@H]1CN(CCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000846220807 588261487 /nfs/dbraw/zinc/26/14/87/588261487.db2.gz VFBBNUKNPVROSP-OLZOCXBDSA-N 2 3 227.396 1.565 20 0 BDADHP CC[C@@H]1C[N@H+](CCCCCC[NH3+])CC[C@@H]1N ZINC000846220807 588261488 /nfs/dbraw/zinc/26/14/88/588261488.db2.gz VFBBNUKNPVROSP-OLZOCXBDSA-N 2 3 227.396 1.565 20 0 BDADHP CC[C@@H]1C[N@@H+](CCCCCC[NH3+])CC[C@@H]1N ZINC000846220807 588261489 /nfs/dbraw/zinc/26/14/89/588261489.db2.gz VFBBNUKNPVROSP-OLZOCXBDSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@@H]1CC[N@H+](CCCCCC[NH3+])C[C@H]1CN ZINC000846223047 588261603 /nfs/dbraw/zinc/26/16/03/588261603.db2.gz GMGQTPGXVTVPIE-CHWSQXEVSA-N 2 3 227.396 1.422 20 0 BDADHP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])C[C@H]1CN ZINC000846223047 588261604 /nfs/dbraw/zinc/26/16/04/588261604.db2.gz GMGQTPGXVTVPIE-CHWSQXEVSA-N 2 3 227.396 1.422 20 0 BDADHP C[C@@H]1CCN(CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000846223047 588261605 /nfs/dbraw/zinc/26/16/05/588261605.db2.gz GMGQTPGXVTVPIE-CHWSQXEVSA-N 2 3 227.396 1.422 20 0 BDADHP CC(C)[C@@H](CN)C[N@H+](C)CCCCCC[NH3+] ZINC000873231594 590003052 /nfs/dbraw/zinc/00/30/52/590003052.db2.gz QOMUCGXVKPMLFC-ZDUSSCGKSA-N 2 3 229.412 1.668 20 0 BDADHP CC(C)[C@@H](CN)C[N@@H+](C)CCCCCC[NH3+] ZINC000873231594 590003055 /nfs/dbraw/zinc/00/30/55/590003055.db2.gz QOMUCGXVKPMLFC-ZDUSSCGKSA-N 2 3 229.412 1.668 20 0 BDADHP CC(C)[C@@H](C[NH3+])CN(C)CCCCCC[NH3+] ZINC000873231594 590003058 /nfs/dbraw/zinc/00/30/58/590003058.db2.gz QOMUCGXVKPMLFC-ZDUSSCGKSA-N 2 3 229.412 1.668 20 0 BDADHP [NH3+]CCC[C@@H](NC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925698054 634361149 /nfs/dbraw/zinc/36/11/49/634361149.db2.gz HTESZPXUBWJLPQ-UKRRQHHQSA-N 2 3 247.386 1.666 20 0 BDADHP CC(C)(C[NH3+])C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000903788647 637382024 /nfs/dbraw/zinc/38/20/24/637382024.db2.gz BZJAQWOWUWZYIY-GFCCVEGCSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@H+](CCCCCC[NH3+])C[C@@H]1CN ZINC000846222445 643650306 /nfs/dbraw/zinc/65/03/06/643650306.db2.gz CTTNEWAQPHSHPG-MCIONIFRSA-N 2 3 241.423 1.811 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@@H+](CCCCCC[NH3+])C[C@@H]1CN ZINC000846222445 643650311 /nfs/dbraw/zinc/65/03/11/643650311.db2.gz CTTNEWAQPHSHPG-MCIONIFRSA-N 2 3 241.423 1.811 20 0 BDADHP C[C@@H]([NH3+])[C@H](NC1CCC([NH3+])CC1)c1ccccc1 ZINC000925689535 646417222 /nfs/dbraw/zinc/41/72/22/646417222.db2.gz BLRBEMNOGAAKLZ-WPPJOMGTSA-N 2 3 247.386 1.934 20 0 BDADHP C([NH2+][C@H]1CCNC12CCC2)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727185 646451569 /nfs/dbraw/zinc/45/15/69/646451569.db2.gz NGNKMPSYTBNNOF-CRWXNKLISA-N 2 3 249.402 1.391 20 0 BDADHP C[C@@H]([NH3+])[C@@H](NC[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000925879417 646529777 /nfs/dbraw/zinc/52/97/77/646529777.db2.gz DLDRNCCOOGWOBU-RJZRQDKASA-N 2 3 247.386 1.792 20 0 BDADHP C[N@H+](CC[C@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222063 979455554 /nfs/dbraw/zinc/45/55/54/979455554.db2.gz KQLZFLKKMLORON-MGPQQGTHSA-N 2 3 239.407 1.720 20 0 BDADHP C[N@@H+](CC[C@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222063 979455561 /nfs/dbraw/zinc/45/55/61/979455561.db2.gz KQLZFLKKMLORON-MGPQQGTHSA-N 2 3 239.407 1.720 20 0 BDADHP C[C@H]1[C@@H](CN)CCC[N@@H+]1CCCCCC[NH3+] ZINC001205902551 983115172 /nfs/dbraw/zinc/11/51/72/983115172.db2.gz KGVUQDOJUFESRE-QWHCGFSZSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@H]1[C@@H](CN)CCC[N@H+]1CCCCCC[NH3+] ZINC001205902551 983115176 /nfs/dbraw/zinc/11/51/76/983115176.db2.gz KGVUQDOJUFESRE-QWHCGFSZSA-N 2 3 227.396 1.565 20 0 BDADHP CC1(C)C[C@@H](N2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246539690 972541503 /nfs/dbraw/zinc/54/15/03/972541503.db2.gz SCWSSNXRMKMBJF-LBPRGKRZSA-N 2 3 225.380 1.188 20 0 BDADHP CC1(C)C[C@@H]([NH+]2CCC(C[NH3+])CC2)CCN1 ZINC001246539690 972541508 /nfs/dbraw/zinc/54/15/08/972541508.db2.gz SCWSSNXRMKMBJF-LBPRGKRZSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC[C@@H]2C)CCN1 ZINC001246104790 972167716 /nfs/dbraw/zinc/16/77/16/972167716.db2.gz BZFSFQOOFQQCER-REWJHTLYSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@H]1CC[C@@H](NCCC2CC[NH+](C)CC2)C[NH2+]1 ZINC000399005455 958483284 /nfs/dbraw/zinc/48/32/84/958483284.db2.gz XMDMTBXMPKCQHN-GXTWGEPZSA-N 2 3 239.407 1.448 20 0 BDADHP [NH3+]CCCCCC[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222237998 960501618 /nfs/dbraw/zinc/50/16/18/960501618.db2.gz XZYZCDOVRRVCBZ-CQSZACIVSA-N 2 3 239.407 1.724 20 0 BDADHP [NH3+]CCCCCC[N@H+]1CCC[C@@]12CCCNC2 ZINC001222237998 960501634 /nfs/dbraw/zinc/50/16/34/960501634.db2.gz XZYZCDOVRRVCBZ-CQSZACIVSA-N 2 3 239.407 1.724 20 0 BDADHP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1N ZINC001205863487 967862655 /nfs/dbraw/zinc/86/26/55/967862655.db2.gz XOIPXXFEXDPVQZ-YPMHNXCESA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1N ZINC001205863487 967862656 /nfs/dbraw/zinc/86/26/56/967862656.db2.gz XOIPXXFEXDPVQZ-YPMHNXCESA-N 2 3 225.380 1.045 20 0 BDADHP CN1CC2(C1)CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001207440853 968775857 /nfs/dbraw/zinc/77/58/57/968775857.db2.gz HVDXNYQGWOUULX-UHFFFAOYSA-N 2 3 237.391 1.014 20 0 BDADHP CN1CCC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254499599 969660661 /nfs/dbraw/zinc/66/06/61/969660661.db2.gz KPLYMHLQZRLPHN-YNEHKIRRSA-N 2 3 225.380 1.330 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246636039 973051347 /nfs/dbraw/zinc/05/13/47/973051347.db2.gz BPTRJDPOXZJPNK-OLZOCXBDSA-N 2 3 237.391 1.202 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246636039 973051356 /nfs/dbraw/zinc/05/13/56/973051356.db2.gz BPTRJDPOXZJPNK-OLZOCXBDSA-N 2 3 237.391 1.202 20 0 BDADHP C(C[N@@H+]1CCCC[C@@]12CCCNC2)C1C[NH2+]C1 ZINC001235174709 978989890 /nfs/dbraw/zinc/98/98/90/978989890.db2.gz VDZFAPUWVSZLEY-AWEZNQCLSA-N 2 3 237.391 1.204 20 0 BDADHP C(C[N@H+]1CCCC[C@@]12CCCNC2)C1C[NH2+]C1 ZINC001235174709 978989897 /nfs/dbraw/zinc/98/98/97/978989897.db2.gz VDZFAPUWVSZLEY-AWEZNQCLSA-N 2 3 237.391 1.204 20 0 BDADHP C[C@H](N)C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702110 979130924 /nfs/dbraw/zinc/13/09/24/979130924.db2.gz JKXCWXVRBUOBIR-NSHDSACASA-N 2 3 225.380 1.045 20 0 BDADHP CCN(CC)CC[C@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC001577687381 984636093 /nfs/dbraw/zinc/63/60/93/984636093.db2.gz DCRABAKZMYCGIA-HIFPTAJRSA-N 2 3 227.396 1.434 20 0 BDADHP CC[NH2+][C@H](C)CNCC1CC[NH+](CC)CC1 ZINC001577887240 984815133 /nfs/dbraw/zinc/81/51/33/984815133.db2.gz WXFKCPQBFIYLNC-GFCCVEGCSA-N 2 3 227.396 1.306 20 0 BDADHP C(CN[C@H]1CCCC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001246103189 987426691 /nfs/dbraw/zinc/42/66/91/987426691.db2.gz GHZRVZDLHBAWNP-AWEZNQCLSA-N 2 3 239.407 1.498 20 0 BDADHP C[C@@H]1CC[C@H](NCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105429 987431671 /nfs/dbraw/zinc/43/16/71/987431671.db2.gz MMJQFBFHVIJOCJ-OCCSQVGLSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])CCN1 ZINC001246163465 987526674 /nfs/dbraw/zinc/52/66/74/987526674.db2.gz IWGKPVQIODYRKS-NWDGAFQWSA-N 2 3 213.369 1.236 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCCC2)CCN1 ZINC001246161751 987520215 /nfs/dbraw/zinc/52/02/15/987520215.db2.gz LIEJUDFZZKJMKC-KGLIPLIRSA-N 2 3 239.407 1.593 20 0 BDADHP C[C@H]1CC[C@H](NCCCC[NH+]2CCCC2)C[NH2+]1 ZINC001246162352 987523546 /nfs/dbraw/zinc/52/35/46/987523546.db2.gz OZWGTRDCUMUHBX-KBPBESRZSA-N 2 3 239.407 1.593 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CCN1 ZINC001246199949 987593543 /nfs/dbraw/zinc/59/35/43/987593543.db2.gz BYVKCKAZCFOIEX-FVCCEPFGSA-N 2 3 225.380 1.234 20 0 BDADHP CC[NH2+]CCNC1CCC2(CCC[NH2+]C2)CC1 ZINC001246268755 987663019 /nfs/dbraw/zinc/66/30/19/987663019.db2.gz APIMTXCWRQCSSV-UHFFFAOYSA-N 2 3 239.407 1.498 20 0 BDADHP [NH3+]CCC1CCC([NH2+]C2CCNCC2)CC1 ZINC001246337938 987745342 /nfs/dbraw/zinc/74/53/42/987745342.db2.gz YFVNFLPOIDGMML-UHFFFAOYSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@H]1C[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3)CCC[C@H]1C[NH3+] ZINC001246562446 988005057 /nfs/dbraw/zinc/00/50/57/988005057.db2.gz MWQYSBXKPAQZQO-JZAZDWQXSA-N 2 3 249.402 1.352 20 0 BDADHP C[C@H]1C[N@H+](C2C[C@@H]3C=C[C@H](C2)N3)CCC[C@H]1C[NH3+] ZINC001246562446 988005071 /nfs/dbraw/zinc/00/50/71/988005071.db2.gz MWQYSBXKPAQZQO-JZAZDWQXSA-N 2 3 249.402 1.352 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246677224 988419919 /nfs/dbraw/zinc/41/99/19/988419919.db2.gz HBDADJAJJBAHOK-YPMHNXCESA-N 2 3 225.380 1.058 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246677224 988419926 /nfs/dbraw/zinc/41/99/26/988419926.db2.gz HBDADJAJJBAHOK-YPMHNXCESA-N 2 3 225.380 1.058 20 0 BDADHP C[C@@H]1C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246793778 988472162 /nfs/dbraw/zinc/47/21/62/988472162.db2.gz DMPHEEIGHIPEKT-TZMCWYRMSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246793778 988472170 /nfs/dbraw/zinc/47/21/70/988472170.db2.gz DMPHEEIGHIPEKT-TZMCWYRMSA-N 2 3 239.407 1.448 20 0 BDADHP C[NH2+]CC[C@@H](C)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001246829737 988524452 /nfs/dbraw/zinc/52/44/52/988524452.db2.gz DDVIFXRULCXZIM-TZMCWYRMSA-N 2 3 239.407 1.448 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000580893485 398169191 /nfs/dbraw/zinc/16/91/91/398169191.db2.gz SQPNDKWHRZAEBU-XGFWRYKXSA-N 2 3 237.391 1.234 20 0 BDADHP CC(C)[C@@H](CN)C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000634995612 345185181 /nfs/dbraw/zinc/18/51/81/345185181.db2.gz KJNNMQZNADFENM-LBPRGKRZSA-N 2 3 227.396 1.197 20 0 BDADHP CC(C)[C@@H](CN)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000634993794 345191889 /nfs/dbraw/zinc/19/18/89/345191889.db2.gz GTYWKOVMWCMMAP-OLZOCXBDSA-N 2 3 227.396 1.278 20 0 BDADHP CC(C)[C@@H](CN)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000634993794 345191892 /nfs/dbraw/zinc/19/18/92/345191892.db2.gz GTYWKOVMWCMMAP-OLZOCXBDSA-N 2 3 227.396 1.278 20 0 BDADHP C[C@@H]1C[C@H]([NH3+])CCN1CC[C@H]1CCC[NH2+]C1 ZINC000577960583 366145367 /nfs/dbraw/zinc/14/53/67/366145367.db2.gz MHCVXRKLEAIUSW-JHJVBQTASA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@H](N)CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000577960583 366145371 /nfs/dbraw/zinc/14/53/71/366145371.db2.gz MHCVXRKLEAIUSW-JHJVBQTASA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@H](N)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000577960583 366145376 /nfs/dbraw/zinc/14/53/76/366145376.db2.gz MHCVXRKLEAIUSW-JHJVBQTASA-N 2 3 225.380 1.188 20 0 BDADHP C[C@H]([NH3+])[C@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420295646 192202946 /nfs/dbraw/zinc/20/29/46/192202946.db2.gz VVRVTZAUYHREIJ-MJBXVCDLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420295646 192202949 /nfs/dbraw/zinc/20/29/49/192202949.db2.gz VVRVTZAUYHREIJ-MJBXVCDLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420295646 192202951 /nfs/dbraw/zinc/20/29/51/192202951.db2.gz VVRVTZAUYHREIJ-MJBXVCDLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000420413212 192240598 /nfs/dbraw/zinc/24/05/98/192240598.db2.gz SUWUCASPQRCLGQ-MGPQQGTHSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000420413212 192240599 /nfs/dbraw/zinc/24/05/99/192240599.db2.gz SUWUCASPQRCLGQ-MGPQQGTHSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000420413212 192240602 /nfs/dbraw/zinc/24/06/02/192240602.db2.gz SUWUCASPQRCLGQ-MGPQQGTHSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]([NH3+])c1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423291640 192681742 /nfs/dbraw/zinc/68/17/42/192681742.db2.gz JERALCMCHDZGTP-SDDRHHMPSA-N 2 3 235.375 1.922 20 0 BDADHP C[C@@H](CCCC[NH3+])N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535862 361411309 /nfs/dbraw/zinc/41/13/09/361411309.db2.gz DHZNECDGRHYESE-GRYCIOLGSA-N 2 3 213.369 1.234 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548699 384038809 /nfs/dbraw/zinc/03/88/09/384038809.db2.gz TZQLFBLLBLFZLF-CHWSQXEVSA-N 2 3 239.407 1.768 20 0 BDADHP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])CN1CCCCC1 ZINC000310403437 384160469 /nfs/dbraw/zinc/16/04/69/384160469.db2.gz NQTKBZDUKILNGI-KGLIPLIRSA-N 2 3 241.423 1.825 20 0 BDADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1 ZINC000647547391 384735619 /nfs/dbraw/zinc/73/56/19/384735619.db2.gz UYJVFNKWXRAVIW-MBJXGIAVSA-N 2 3 237.391 1.105 20 0 BDADHP C(CNC1CC1)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547731 384750237 /nfs/dbraw/zinc/75/02/37/384750237.db2.gz ATUPVBFUWCKZCY-SGMGOOAPSA-N 2 3 237.391 1.106 20 0 BDADHP C1[NH2+]C[C@@H]2C[C@H](N[C@H]3CCCC[NH2+]C3)CC[C@@H]12 ZINC000647548185 384750684 /nfs/dbraw/zinc/75/06/84/384750684.db2.gz XZFBANQLQCKPNT-FQUUOJAGSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@H]1CCNCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335037660 385928816 /nfs/dbraw/zinc/92/88/16/385928816.db2.gz DCSISZRXUWAKIS-GXTWGEPZSA-N 2 3 239.407 1.306 20 0 BDADHP C[NH2+]C[C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000647836859 385881902 /nfs/dbraw/zinc/88/19/02/385881902.db2.gz JZDNNWFXXAZAOA-AWEZNQCLSA-N 2 3 239.407 1.308 20 0 BDADHP NCC1(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000414662646 386103096 /nfs/dbraw/zinc/10/30/96/386103096.db2.gz ZLWHZOCEOBVYLV-CYBMUJFWSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CC[NH2+]1 ZINC000414698165 386199582 /nfs/dbraw/zinc/19/95/82/386199582.db2.gz IQIKNZIIQVGANB-ZOBORPQBSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CC[NH2+]1 ZINC000414698165 386199587 /nfs/dbraw/zinc/19/95/87/386199587.db2.gz IQIKNZIIQVGANB-ZOBORPQBSA-N 2 3 237.391 1.058 20 0 BDADHP CCN(CC)CCC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415096299 386614587 /nfs/dbraw/zinc/61/45/87/386614587.db2.gz AXUBQLVYWDWDQQ-KBPBESRZSA-N 2 3 241.423 1.696 20 0 BDADHP C[C@H](C[C@H]1CCC[NH2+]1)NCC[C@H]1CC[NH2+]C1 ZINC000414843949 386766826 /nfs/dbraw/zinc/76/68/26/386766826.db2.gz DALWGSVMGQWHOF-JHJVBQTASA-N 2 3 225.380 1.106 20 0 BDADHP CC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CC[NH2+]CC1 ZINC000423319551 387162436 /nfs/dbraw/zinc/16/24/36/387162436.db2.gz DLLDXHNVMVURSO-VXGBXAGGSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423426964 387251883 /nfs/dbraw/zinc/25/18/83/387251883.db2.gz PZPGYXODMVLIRH-CYDGBPFRSA-N 2 3 227.396 1.467 20 0 BDADHP CCC[NH+]1CCC(NCC2=CC[NH2+]CC2)CC1 ZINC000423345109 387194997 /nfs/dbraw/zinc/19/49/97/387194997.db2.gz NPNFCWHRAIUXAY-UHFFFAOYSA-N 2 3 237.391 1.370 20 0 BDADHP CC[C@@H](N[C@@H](C)CCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423430524 387264414 /nfs/dbraw/zinc/26/44/14/387264414.db2.gz KZASDHNGOMUQMS-XQQFMLRXSA-N 2 3 227.396 1.624 20 0 BDADHP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H]1CCCN1 ZINC000423430524 387264419 /nfs/dbraw/zinc/26/44/19/387264419.db2.gz KZASDHNGOMUQMS-XQQFMLRXSA-N 2 3 227.396 1.624 20 0 BDADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423393063 387277857 /nfs/dbraw/zinc/27/78/57/387277857.db2.gz QIYJTJHGGFCVRM-MNOVXSKESA-N 2 3 233.359 1.505 20 0 BDADHP CC[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423476723 387321361 /nfs/dbraw/zinc/32/13/61/387321361.db2.gz RCLJORYUTZVLTG-RFGFWPKPSA-N 2 3 239.407 1.624 20 0 BDADHP CC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCN1 ZINC000423476723 387321367 /nfs/dbraw/zinc/32/13/67/387321367.db2.gz RCLJORYUTZVLTG-RFGFWPKPSA-N 2 3 239.407 1.624 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423140183 387918154 /nfs/dbraw/zinc/91/81/54/387918154.db2.gz XQJLCJRLNNXFNL-KGLIPLIRSA-N 2 3 241.423 1.968 20 0 BDADHP CC[C@@H](NC1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000423228573 388014046 /nfs/dbraw/zinc/01/40/46/388014046.db2.gz DCAVNEXASBIPFA-TUUUFIMRSA-N 2 3 225.380 1.377 20 0 BDADHP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCN1 ZINC000423228573 388014049 /nfs/dbraw/zinc/01/40/49/388014049.db2.gz DCAVNEXASBIPFA-TUUUFIMRSA-N 2 3 225.380 1.377 20 0 BDADHP C[N@H+]1CC=C(CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000336345884 388457686 /nfs/dbraw/zinc/45/76/86/388457686.db2.gz HDHWVJXYTVQFAI-HUUCEWRRSA-N 2 3 249.402 1.465 20 0 BDADHP C[N@@H+]1CC=C(CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000336345884 388457687 /nfs/dbraw/zinc/45/76/87/388457687.db2.gz HDHWVJXYTVQFAI-HUUCEWRRSA-N 2 3 249.402 1.465 20 0 BDADHP C[NH+]1CC=C(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000336345884 388457689 /nfs/dbraw/zinc/45/76/89/388457689.db2.gz HDHWVJXYTVQFAI-HUUCEWRRSA-N 2 3 249.402 1.465 20 0 BDADHP C[NH+]1CC=C(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000336345884 388457690 /nfs/dbraw/zinc/45/76/90/388457690.db2.gz HDHWVJXYTVQFAI-HUUCEWRRSA-N 2 3 249.402 1.465 20 0 BDADHP C[C@H]1CCNCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747669 410387385 /nfs/dbraw/zinc/38/73/85/410387385.db2.gz FLSBUDQPJAJIHJ-NWDGAFQWSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762165 410411810 /nfs/dbraw/zinc/41/18/10/410411810.db2.gz VQDXMSHBHBAEAO-WDEREUQCSA-N 2 3 213.369 1.092 20 0 BDADHP C[C@H]([NH2+]CCCNC1CC1)C1CC[NH+](C)CC1 ZINC000396525193 410889520 /nfs/dbraw/zinc/88/95/20/410889520.db2.gz PDMMUVBHDNGHPT-LBPRGKRZSA-N 2 3 239.407 1.448 20 0 BDADHP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656193698 411199326 /nfs/dbraw/zinc/19/93/26/411199326.db2.gz PPMFPGAFWHMNOQ-HUUCEWRRSA-N 2 3 247.386 1.766 20 0 BDADHP C[NH2+]C[C@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000359224019 173378724 /nfs/dbraw/zinc/37/87/24/173378724.db2.gz SOFIINONFGLXLC-CQSZACIVSA-N 2 3 239.407 1.308 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H](N)C2)CC[NH2+]1 ZINC000414913987 487827589 /nfs/dbraw/zinc/82/75/89/487827589.db2.gz JYVWYQVMODBNFC-LPWJVIDDSA-N 2 3 225.380 1.234 20 0 BDADHP [NH3+]CC1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000666770901 487855448 /nfs/dbraw/zinc/85/54/48/487855448.db2.gz ZCCPGKNPHFHSCE-BPCQOVAHSA-N 2 3 225.380 1.236 20 0 BDADHP NC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000564827785 325813732 /nfs/dbraw/zinc/81/37/32/325813732.db2.gz FUWATPUAUYMOJJ-XJFOESAGSA-N 2 3 237.391 1.092 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000566483788 326056347 /nfs/dbraw/zinc/05/63/47/326056347.db2.gz WWGGBJBOPQGUOL-CHWSQXEVSA-N 2 3 223.364 1.156 20 0 BDADHP CC1(C)CNCC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000902403180 584588486 /nfs/dbraw/zinc/58/84/86/584588486.db2.gz DNPXWJGQMFMNGE-GRYCIOLGSA-N 2 3 225.380 1.092 20 0 BDADHP CC1(C)C[C@@H](N)C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902491283 584618298 /nfs/dbraw/zinc/61/82/98/584618298.db2.gz WVKUCTKPEGMCDT-FIQHERPVSA-N 2 3 225.380 1.219 20 0 BDADHP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902486948 584625761 /nfs/dbraw/zinc/62/57/61/584625761.db2.gz HYCHZFHYRJIMTJ-CYUUQNCZSA-N 2 3 247.386 1.272 20 0 BDADHP NCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903451707 584771828 /nfs/dbraw/zinc/77/18/28/584771828.db2.gz CPGIRDBITYMORD-AGIUHOORSA-N 2 3 225.380 1.317 20 0 BDADHP NCC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903451707 584771829 /nfs/dbraw/zinc/77/18/29/584771829.db2.gz CPGIRDBITYMORD-AGIUHOORSA-N 2 3 225.380 1.317 20 0 BDADHP CC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1N ZINC000903450459 584772230 /nfs/dbraw/zinc/77/22/30/584772230.db2.gz WIKXCGXXXUFBCJ-MROQNXINSA-N 2 3 225.380 1.173 20 0 BDADHP CC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1N ZINC000903450459 584772231 /nfs/dbraw/zinc/77/22/31/584772231.db2.gz WIKXCGXXXUFBCJ-MROQNXINSA-N 2 3 225.380 1.173 20 0 BDADHP CC[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000903450459 584772234 /nfs/dbraw/zinc/77/22/34/584772234.db2.gz WIKXCGXXXUFBCJ-MROQNXINSA-N 2 3 225.380 1.173 20 0 BDADHP [NH3+]CCCCCCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903861428 584812121 /nfs/dbraw/zinc/81/21/21/584812121.db2.gz WWOTYSPEAKZDJG-CHWSQXEVSA-N 2 3 225.380 1.319 20 0 BDADHP C(N[C@H]1CCCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918865 584823064 /nfs/dbraw/zinc/82/30/64/584823064.db2.gz JMKTYPBNBRDZHX-GSPSYOTPSA-N 2 3 237.391 1.249 20 0 BDADHP [NH3+][C@]12CCC[C@H]1CN(CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934015 584825048 /nfs/dbraw/zinc/82/50/48/584825048.db2.gz YWCVWBGVZOPFFJ-OEWLLCOZSA-N 2 3 249.402 1.330 20 0 BDADHP C[C@H]1CC[C@H](NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000903934421 584825630 /nfs/dbraw/zinc/82/56/30/584825630.db2.gz GUPQGTSLGDGGEW-WYTNZGFTSA-N 2 3 237.391 1.247 20 0 BDADHP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000904323737 584864744 /nfs/dbraw/zinc/86/47/44/584864744.db2.gz RPJUPCMVFJHOTN-MCIONIFRSA-N 2 3 237.391 1.141 20 0 BDADHP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000904323737 584864745 /nfs/dbraw/zinc/86/47/45/584864745.db2.gz RPJUPCMVFJHOTN-MCIONIFRSA-N 2 3 237.391 1.141 20 0 BDADHP [NH3+][C@H]1C[C@@H](CN2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000904323737 584864746 /nfs/dbraw/zinc/86/47/46/584864746.db2.gz RPJUPCMVFJHOTN-MCIONIFRSA-N 2 3 237.391 1.141 20 0 BDADHP CN1CCC2(CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904342064 584867476 /nfs/dbraw/zinc/86/74/76/584867476.db2.gz WHJHVFJSUUMLRW-BETUJISGSA-N 2 3 237.391 1.284 20 0 BDADHP CN1CCC2(CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904342064 584867477 /nfs/dbraw/zinc/86/74/77/584867477.db2.gz WHJHVFJSUUMLRW-BETUJISGSA-N 2 3 237.391 1.284 20 0 BDADHP C[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1CCN ZINC000904376248 584876245 /nfs/dbraw/zinc/87/62/45/584876245.db2.gz NHKARBJZXCDIEV-RVMXOQNASA-N 2 3 225.380 1.173 20 0 BDADHP C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1CCN ZINC000904376248 584876247 /nfs/dbraw/zinc/87/62/47/584876247.db2.gz NHKARBJZXCDIEV-RVMXOQNASA-N 2 3 225.380 1.173 20 0 BDADHP C[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000904410603 584879002 /nfs/dbraw/zinc/87/90/02/584879002.db2.gz PPAIRWRQTKHFHN-MCIONIFRSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1C[N@H+](C[C@@]2(C)CCCNC2)CC[C@@H]1C[NH3+] ZINC000904410603 584879003 /nfs/dbraw/zinc/87/90/03/584879003.db2.gz PPAIRWRQTKHFHN-MCIONIFRSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1C[N@@H+](C[C@@]2(C)CCCNC2)CC[C@@H]1C[NH3+] ZINC000904410603 584879004 /nfs/dbraw/zinc/87/90/04/584879004.db2.gz PPAIRWRQTKHFHN-MCIONIFRSA-N 2 3 239.407 1.293 20 0 BDADHP C[NH2+]C[C@@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000843345973 588102073 /nfs/dbraw/zinc/10/20/73/588102073.db2.gz IJYVJGKTSZEVCN-AWEZNQCLSA-N 2 3 241.423 1.827 20 0 BDADHP CC[C@H]1CN(CCCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000843378081 588105941 /nfs/dbraw/zinc/10/59/41/588105941.db2.gz ZBQDXGJVARFLTL-UONOGXRCSA-N 2 3 241.423 1.955 20 0 BDADHP CC[C@H]1C[N@H+](CCCCCCC[NH3+])CC[C@H]1N ZINC000843378081 588105943 /nfs/dbraw/zinc/10/59/43/588105943.db2.gz ZBQDXGJVARFLTL-UONOGXRCSA-N 2 3 241.423 1.955 20 0 BDADHP CC[C@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@H]1N ZINC000843378081 588105944 /nfs/dbraw/zinc/10/59/44/588105944.db2.gz ZBQDXGJVARFLTL-UONOGXRCSA-N 2 3 241.423 1.955 20 0 BDADHP NC[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846217080 588260253 /nfs/dbraw/zinc/26/02/53/588260253.db2.gz ZEYMZRXRRBAZHZ-GFCCVEGCSA-N 2 3 213.369 1.176 20 0 BDADHP NC[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846217080 588260254 /nfs/dbraw/zinc/26/02/54/588260254.db2.gz ZEYMZRXRRBAZHZ-GFCCVEGCSA-N 2 3 213.369 1.176 20 0 BDADHP [NH3+]CCCCCCN1CCC[C@H](C[NH3+])C1 ZINC000846217080 588260255 /nfs/dbraw/zinc/26/02/55/588260255.db2.gz ZEYMZRXRRBAZHZ-GFCCVEGCSA-N 2 3 213.369 1.176 20 0 BDADHP C[C@@H](N)[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846217966 588260475 /nfs/dbraw/zinc/26/04/75/588260475.db2.gz PPGDIKDSEQDOLZ-OLZOCXBDSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@@H](N)[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846217966 588260476 /nfs/dbraw/zinc/26/04/76/588260476.db2.gz PPGDIKDSEQDOLZ-OLZOCXBDSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@@H]([NH3+])[C@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846217966 588260477 /nfs/dbraw/zinc/26/04/77/588260477.db2.gz PPGDIKDSEQDOLZ-OLZOCXBDSA-N 2 3 227.396 1.565 20 0 BDADHP [NH3+]CCCCCC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000846220534 588261426 /nfs/dbraw/zinc/26/14/26/588261426.db2.gz JYJQCIRHWAMWAC-CQSZACIVSA-N 2 3 239.407 1.581 20 0 BDADHP [NH3+]CCCCCC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000846220534 588261427 /nfs/dbraw/zinc/26/14/27/588261427.db2.gz JYJQCIRHWAMWAC-CQSZACIVSA-N 2 3 239.407 1.581 20 0 BDADHP [NH3+]CCCCCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000846220534 588261428 /nfs/dbraw/zinc/26/14/28/588261428.db2.gz JYJQCIRHWAMWAC-CQSZACIVSA-N 2 3 239.407 1.581 20 0 BDADHP C[C@H]1C[C@@H]([NH3+])CCN1CCCCCC[NH3+] ZINC000846708852 588283588 /nfs/dbraw/zinc/28/35/88/588283588.db2.gz WJTOGKXSMYJXMM-RYUDHWBXSA-N 2 3 213.369 1.317 20 0 BDADHP C[C@H]1C[C@@H](N)CC[N@@H+]1CCCCCC[NH3+] ZINC000846708852 588283589 /nfs/dbraw/zinc/28/35/89/588283589.db2.gz WJTOGKXSMYJXMM-RYUDHWBXSA-N 2 3 213.369 1.317 20 0 BDADHP C[C@H]1C[C@@H](N)CC[N@H+]1CCCCCC[NH3+] ZINC000846708852 588283590 /nfs/dbraw/zinc/28/35/90/588283590.db2.gz WJTOGKXSMYJXMM-RYUDHWBXSA-N 2 3 213.369 1.317 20 0 BDADHP C[C@@H]1C[C@H]([NH3+])CCN1CCCCCCC[NH3+] ZINC000846706852 588283704 /nfs/dbraw/zinc/28/37/04/588283704.db2.gz BPGKIPRMXVCUQM-CHWSQXEVSA-N 2 3 227.396 1.707 20 0 BDADHP C[C@@H]1C[C@H](N)CC[N@@H+]1CCCCCCC[NH3+] ZINC000846706852 588283705 /nfs/dbraw/zinc/28/37/05/588283705.db2.gz BPGKIPRMXVCUQM-CHWSQXEVSA-N 2 3 227.396 1.707 20 0 BDADHP C[C@@H]1C[C@H](N)CC[N@H+]1CCCCCCC[NH3+] ZINC000846706852 588283706 /nfs/dbraw/zinc/28/37/06/588283706.db2.gz BPGKIPRMXVCUQM-CHWSQXEVSA-N 2 3 227.396 1.707 20 0 BDADHP C[C@@H](CC[NH3+])NCc1cc2c(s1)CC[NH2+]C2 ZINC000873210878 589995271 /nfs/dbraw/zinc/99/52/71/589995271.db2.gz RFQWWEKRQSIJSN-VIFPVBQESA-N 2 3 239.388 1.221 20 0 BDADHP NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261320 590013520 /nfs/dbraw/zinc/01/35/20/590013520.db2.gz NMYGVNCFNNSBEG-HPCHECBXSA-N 2 3 237.391 1.234 20 0 BDADHP NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261350 590013721 /nfs/dbraw/zinc/01/37/21/590013721.db2.gz NMYGVNCFNNSBEG-PDWCTOEPSA-N 2 3 237.391 1.234 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272084 590016459 /nfs/dbraw/zinc/01/64/59/590016459.db2.gz PLSVNLACQWFQCI-MXWKQRLJSA-N 2 3 213.369 1.090 20 0 BDADHP C[C@H](CCCC[NH3+])N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925704288 634384194 /nfs/dbraw/zinc/38/41/94/634384194.db2.gz FQHFFUZFLDUYKG-WFQJECDVSA-N 2 3 237.391 1.090 20 0 BDADHP C[C@H]([NH3+])CCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925693076 634327052 /nfs/dbraw/zinc/32/70/52/634327052.db2.gz ODPAGDOIEBDSGX-JSGCOSHPSA-N 2 3 235.375 1.794 20 0 BDADHP C[C@H]([NH3+])[C@@H](NC[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000925879415 646528979 /nfs/dbraw/zinc/52/89/79/646528979.db2.gz DLDRNCCOOGWOBU-MYZSUADSSA-N 2 3 247.386 1.792 20 0 BDADHP N[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)C1CC1 ZINC000925700946 711710545 /nfs/dbraw/zinc/71/05/45/711710545.db2.gz XQFWMKTZCICUAX-LSDHHAIUSA-N 2 3 247.386 1.794 20 0 BDADHP C[NH+](C)C1(C)CCC([NH2+]CCCN)CC1 ZINC000715489049 712523125 /nfs/dbraw/zinc/52/31/25/712523125.db2.gz BZBLIVONAYTGCU-UHFFFAOYSA-N 2 3 213.369 1.188 20 0 BDADHP C[C@H]1[C@@H](C[NH3+])CCCN1CC1(F)CC[NH2+]CC1 ZINC001205902698 983118412 /nfs/dbraw/zinc/11/84/12/983118412.db2.gz KYFRXCCTCJIIJR-NWDGAFQWSA-N 2 3 243.370 1.137 20 0 BDADHP C[N@H+]1CC=C(CN[C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405437588 971251869 /nfs/dbraw/zinc/25/18/69/971251869.db2.gz UVYPLMFFJLMQBX-STQMWFEESA-N 2 3 235.375 1.108 20 0 BDADHP C[N@@H+]1CC=C(CN[C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405437588 971251876 /nfs/dbraw/zinc/25/18/76/971251876.db2.gz UVYPLMFFJLMQBX-STQMWFEESA-N 2 3 235.375 1.108 20 0 BDADHP C[N@H+]1CC=C(CN[C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405437586 971254328 /nfs/dbraw/zinc/25/43/28/971254328.db2.gz UVYPLMFFJLMQBX-QWHCGFSZSA-N 2 3 235.375 1.108 20 0 BDADHP C[N@@H+]1CC=C(CN[C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405437586 971254338 /nfs/dbraw/zinc/25/43/38/971254338.db2.gz UVYPLMFFJLMQBX-QWHCGFSZSA-N 2 3 235.375 1.108 20 0 BDADHP N[C@@H](CCC[NH3+])Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001170900986 972067917 /nfs/dbraw/zinc/06/79/17/972067917.db2.gz SNFWMOJDNFZBBQ-ZIAGYGMSSA-N 2 3 248.374 1.547 20 0 BDADHP C[C@@H]1CC[C@H](NC[C@H]2CC23CC[NH2+]CC3)C[NH2+]1 ZINC001246184489 972210889 /nfs/dbraw/zinc/21/08/89/972210889.db2.gz SKZLXBOEAFBPBA-UPJWGTAASA-N 2 3 237.391 1.106 20 0 BDADHP CCN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709490229 960618808 /nfs/dbraw/zinc/61/88/08/960618808.db2.gz YGTJEBYGYQBIRB-PBWFPOADSA-N 2 3 237.391 1.343 20 0 BDADHP C[C@@H]1CC[C@H](CN)[N@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001205842931 967851057 /nfs/dbraw/zinc/85/10/57/967851057.db2.gz PYDJZYVCCLWSPM-IUODEOHRSA-N 2 3 247.386 1.705 20 0 BDADHP C[C@@H]1CC[C@H](CN)[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001205842931 967851061 /nfs/dbraw/zinc/85/10/61/967851061.db2.gz PYDJZYVCCLWSPM-IUODEOHRSA-N 2 3 247.386 1.705 20 0 BDADHP C[C@@H]1[C@@H](CN)CCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903032 967878928 /nfs/dbraw/zinc/87/89/28/967878928.db2.gz NDRCOINVFWPWEK-CHWSQXEVSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1[C@@H](CN)CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903032 967878931 /nfs/dbraw/zinc/87/89/31/967878931.db2.gz NDRCOINVFWPWEK-CHWSQXEVSA-N 2 3 239.407 1.435 20 0 BDADHP NC[C@@H]1CCCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001206606540 968414673 /nfs/dbraw/zinc/41/46/73/968414673.db2.gz ONAQIGIQEVXAOC-KGLIPLIRSA-N 2 3 239.407 1.437 20 0 BDADHP NC[C@@H]1CCCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001206606540 968414677 /nfs/dbraw/zinc/41/46/77/968414677.db2.gz ONAQIGIQEVXAOC-KGLIPLIRSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@H](N)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206749799 968454258 /nfs/dbraw/zinc/45/42/58/968454258.db2.gz NNTHPBWGCJNXJN-CYBMUJFWSA-N 2 3 247.386 1.326 20 0 BDADHP C1C[C@@H]2[C@H](CC[N@@H+]2[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)N1 ZINC001246627904 973045258 /nfs/dbraw/zinc/04/52/58/973045258.db2.gz AWRPRQATZMDUOJ-BYNSBNAKSA-N 2 3 249.402 1.345 20 0 BDADHP C1C[C@@H]2[C@H](CC[N@H+]2[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)N1 ZINC001246627904 973045279 /nfs/dbraw/zinc/04/52/79/973045279.db2.gz AWRPRQATZMDUOJ-BYNSBNAKSA-N 2 3 249.402 1.345 20 0 BDADHP CC[C@H](N)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234498 979003347 /nfs/dbraw/zinc/00/33/47/979003347.db2.gz YWTZWPAPNPPJLH-KBPBESRZSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@H]1[C@H](C[NH3+])CCCN1CC1(F)CC[NH2+]CC1 ZINC001205902699 983117133 /nfs/dbraw/zinc/11/71/33/983117133.db2.gz KYFRXCCTCJIIJR-RYUDHWBXSA-N 2 3 243.370 1.137 20 0 BDADHP CN1C[C@@H]2CC[C@H]([NH2+]C3CCC([NH3+])CC3)[C@H]2C1 ZINC001578520741 984217638 /nfs/dbraw/zinc/21/76/38/984217638.db2.gz GEPUEUARRLXNOD-ASUPZPJHSA-N 2 3 237.391 1.186 20 0 BDADHP CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H](C[NH3+])C3)[C@H]2C1 ZINC001578520782 985139022 /nfs/dbraw/zinc/13/90/22/985139022.db2.gz GNJWRIOZZTVYHJ-BJJPWKGXSA-N 2 3 237.391 1.044 20 0 BDADHP CN1C[C@@H]2CC[C@@H]([NH2+]C3CC(CC[NH3+])C3)[C@@H]2C1 ZINC001578520892 985142181 /nfs/dbraw/zinc/14/21/81/985142181.db2.gz IUETXAKSZHUIJN-IYIPPKHMSA-N 2 3 237.391 1.044 20 0 BDADHP C[C@@H]1CC[C@@H](NC[C@@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246092611 987398298 /nfs/dbraw/zinc/39/82/98/987398298.db2.gz FFYMOSYVCHENMI-MCIONIFRSA-N 2 3 239.407 1.496 20 0 BDADHP CCN1CCC([NH2+]C[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246098975 987414995 /nfs/dbraw/zinc/41/49/95/987414995.db2.gz QSHYTQBWPDFXLD-OLZOCXBDSA-N 2 3 239.407 1.448 20 0 BDADHP C[NH+](C)C1CCC([NH2+][C@@H]2CNCC23CC3)CC1 ZINC001246129719 987477810 /nfs/dbraw/zinc/47/78/10/987477810.db2.gz HHFBZHFGMIDNNV-WXRRBKDZSA-N 2 3 237.391 1.201 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CCN1 ZINC001246163466 987525592 /nfs/dbraw/zinc/52/55/92/987525592.db2.gz IWGKPVQIODYRKS-RYUDHWBXSA-N 2 3 213.369 1.236 20 0 BDADHP [NH3+]CCCCCCN[C@@H]1CCCC[NH2+]C1 ZINC001246165902 987529638 /nfs/dbraw/zinc/52/96/38/987529638.db2.gz RZVGANZEICRGOR-GFCCVEGCSA-N 2 3 213.369 1.237 20 0 BDADHP N[C@H]1C[C@@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246182849 987555690 /nfs/dbraw/zinc/55/56/90/987555690.db2.gz AMQWUAPLVJLKHN-GIPGFSNBSA-N 2 3 237.391 1.378 20 0 BDADHP C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CC[NH2+]CC1 ZINC001246249771 987648484 /nfs/dbraw/zinc/64/84/84/987648484.db2.gz JWYWPGBWRMTABB-WZRBSPASSA-N 2 3 225.380 1.105 20 0 BDADHP CCC1(C[NH2+][C@@H]2CCN[C@@H](C)C2)CC[NH2+]CC1 ZINC001246420163 987793530 /nfs/dbraw/zinc/79/35/30/987793530.db2.gz FQMRAZIGXGRGEM-QWHCGFSZSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CCN1 ZINC001246452878 987809963 /nfs/dbraw/zinc/80/99/63/987809963.db2.gz YBUIGDWUQATLNL-RFQIPJPRSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCN1 ZINC001246563928 988012999 /nfs/dbraw/zinc/01/29/99/988012999.db2.gz YHIVVAFXSXOVBQ-RFGFWPKPSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCN1 ZINC001246563928 988013012 /nfs/dbraw/zinc/01/30/12/988013012.db2.gz YHIVVAFXSXOVBQ-RFGFWPKPSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246628055 988291400 /nfs/dbraw/zinc/29/14/00/988291400.db2.gz LZAUMBYYKQTIII-YIYPIFLZSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246628055 988291425 /nfs/dbraw/zinc/29/14/25/988291425.db2.gz LZAUMBYYKQTIII-YIYPIFLZSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246677219 988422482 /nfs/dbraw/zinc/42/24/82/988422482.db2.gz HBDADJAJJBAHOK-DGCLKSJQSA-N 2 3 225.380 1.058 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246677219 988422489 /nfs/dbraw/zinc/42/24/89/988422489.db2.gz HBDADJAJJBAHOK-DGCLKSJQSA-N 2 3 225.380 1.058 20 0 BDADHP C[C@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246793775 988473045 /nfs/dbraw/zinc/47/30/45/988473045.db2.gz DMPHEEIGHIPEKT-JSGCOSHPSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246793775 988473051 /nfs/dbraw/zinc/47/30/51/988473051.db2.gz DMPHEEIGHIPEKT-JSGCOSHPSA-N 2 3 239.407 1.448 20 0 BDADHP CCCC[C@@H]1C[C@H]([N@H+](C)CCCC[NH3+])CCN1 ZINC001246890657 988659573 /nfs/dbraw/zinc/65/95/73/988659573.db2.gz KOJBIFPXMJDURB-ZIAGYGMSSA-N 2 3 241.423 1.968 20 0 BDADHP CCCC[C@@H]1C[C@H]([N@@H+](C)CCCC[NH3+])CCN1 ZINC001246890657 988659577 /nfs/dbraw/zinc/65/95/77/988659577.db2.gz KOJBIFPXMJDURB-ZIAGYGMSSA-N 2 3 241.423 1.968 20 0 BDADHP CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577654844 993710261 /nfs/dbraw/zinc/71/02/61/993710261.db2.gz JASVSIBHLFAREE-MELADBBJSA-N 2 3 239.407 1.387 20 0 BDADHP CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577654844 993710270 /nfs/dbraw/zinc/71/02/70/993710270.db2.gz JASVSIBHLFAREE-MELADBBJSA-N 2 3 239.407 1.387 20 0 BDADHP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](CN)C2)CC[NH2+]1 ZINC000576346976 365573488 /nfs/dbraw/zinc/57/34/88/365573488.db2.gz VKJMUXGFLQAORI-FRRDWIJNSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](CN)C2)CC[NH2+]1 ZINC000576346976 365573490 /nfs/dbraw/zinc/57/34/90/365573490.db2.gz VKJMUXGFLQAORI-FRRDWIJNSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@@H](CN2CCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000576346976 365573491 /nfs/dbraw/zinc/57/34/91/365573491.db2.gz VKJMUXGFLQAORI-FRRDWIJNSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](CN)C2)CC[NH2+]1 ZINC000576346977 365573576 /nfs/dbraw/zinc/57/35/76/365573576.db2.gz VKJMUXGFLQAORI-JHJVBQTASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](CN)C2)CC[NH2+]1 ZINC000576346977 365573579 /nfs/dbraw/zinc/57/35/79/365573579.db2.gz VKJMUXGFLQAORI-JHJVBQTASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@H](CN2CCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000576346977 365573581 /nfs/dbraw/zinc/57/35/81/365573581.db2.gz VKJMUXGFLQAORI-JHJVBQTASA-N 2 3 225.380 1.045 20 0 BDADHP CC(C)[C@@H](C[NH3+])CN1CCC2(CC[NH2+]C2)CC1 ZINC000634995185 345183591 /nfs/dbraw/zinc/18/35/91/345183591.db2.gz XSWIXWLLBZINGB-ZDUSSCGKSA-N 2 3 239.407 1.293 20 0 BDADHP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@@H](N)C1)C1CC1 ZINC000577231796 365893128 /nfs/dbraw/zinc/89/31/28/365893128.db2.gz RCVBLLSWSCTAOV-CHWSQXEVSA-N 2 3 239.407 1.720 20 0 BDADHP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H](N)C1)C1CC1 ZINC000577231796 365893131 /nfs/dbraw/zinc/89/31/31/365893131.db2.gz RCVBLLSWSCTAOV-CHWSQXEVSA-N 2 3 239.407 1.720 20 0 BDADHP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCNC1 ZINC000577708956 366041260 /nfs/dbraw/zinc/04/12/60/366041260.db2.gz MDHQSQOJYKCPTA-MELADBBJSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@@H]1CC[C@H](NC2CCC(C[NH3+])CC2)C[NH2+]1 ZINC000629542391 361419821 /nfs/dbraw/zinc/41/98/21/361419821.db2.gz YNEXSQLLVGUJCN-XVSSEFHLSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@@H]1CC[C@H](NC[C@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC000629660471 361566351 /nfs/dbraw/zinc/56/63/51/361566351.db2.gz USDZIJYKAIWQLD-VOAKCMCISA-N 2 3 225.380 1.105 20 0 BDADHP [NH3+][C@@H]1C[C@H](NC2CCC([NH3+])CC2)c2ccccc21 ZINC000132085528 181342265 /nfs/dbraw/zinc/34/22/65/181342265.db2.gz BIWBCXLRUHKBDH-FBDPFYNOSA-N 2 3 245.370 1.991 20 0 BDADHP [NH3+][C@]12CCC[C@H]1CN(CC[C@H]1CCC[NH2+]C1)C2 ZINC000621784480 370535231 /nfs/dbraw/zinc/53/52/31/370535231.db2.gz PNJUQRKJEWUDRJ-RDBSUJKOSA-N 2 3 237.391 1.189 20 0 BDADHP C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000647546231 384729811 /nfs/dbraw/zinc/72/98/11/384729811.db2.gz GEWQWGFMUPTGCZ-IGQOVBAYSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H](NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000647547990 384750584 /nfs/dbraw/zinc/75/05/84/384750584.db2.gz QJUBRCGVHQUSTI-XDQVBPFNSA-N 2 3 239.407 1.339 20 0 BDADHP C[C@@H]1C[NH2+]C[C@@H](NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000647547991 384751535 /nfs/dbraw/zinc/75/15/35/384751535.db2.gz QJUBRCGVHQUSTI-XUXIUFHCSA-N 2 3 239.407 1.339 20 0 BDADHP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1N ZINC000647498837 385422092 /nfs/dbraw/zinc/42/20/92/385422092.db2.gz RVFXADAVONOKLM-OLZOCXBDSA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1N ZINC000647498837 385422094 /nfs/dbraw/zinc/42/20/94/385422094.db2.gz RVFXADAVONOKLM-OLZOCXBDSA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@@H]1CN(CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647498837 385422097 /nfs/dbraw/zinc/42/20/97/385422097.db2.gz RVFXADAVONOKLM-OLZOCXBDSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1CN(CCCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647844878 385895295 /nfs/dbraw/zinc/89/52/95/385895295.db2.gz YOWRHUNDKFGXFH-TZMCWYRMSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](C[C@@H]1CCC[NH2+]1)NCCC[C@@H]1CCC[NH2+]1 ZINC000414964712 385909798 /nfs/dbraw/zinc/90/97/98/385909798.db2.gz MRZAFJYGDSKQNT-MCIONIFRSA-N 2 3 239.407 1.639 20 0 BDADHP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000342098412 385926874 /nfs/dbraw/zinc/92/68/74/385926874.db2.gz IHDKJKQWHYEEPL-RFQIPJPRSA-N 2 3 237.391 1.045 20 0 BDADHP C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666727 386112551 /nfs/dbraw/zinc/11/25/51/386112551.db2.gz XFCZHWSMNZFQTK-FDYHWXHSSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666727 386112555 /nfs/dbraw/zinc/11/25/55/386112555.db2.gz XFCZHWSMNZFQTK-FDYHWXHSSA-N 2 3 225.380 1.044 20 0 BDADHP C([C@@H]1CC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000647987699 386278368 /nfs/dbraw/zinc/27/83/68/386278368.db2.gz RVMXJXQHFGEHHU-OCCSQVGLSA-N 2 3 237.391 1.060 20 0 BDADHP [NH3+]CCC[C@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000415052337 386509013 /nfs/dbraw/zinc/50/90/13/386509013.db2.gz KRIKBWJHURBZLD-HNNXBMFYSA-N 2 3 247.386 1.808 20 0 BDADHP [NH3+]C[C@H]1CC[C@H](C[NH2+]C[C@H]2CCCNC2)CC1 ZINC000415022309 386512176 /nfs/dbraw/zinc/51/21/76/386512176.db2.gz IZMUHNDYTXVJOF-IHRRRGAJSA-N 2 3 239.407 1.341 20 0 BDADHP CN(CC1CC[NH+](C)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000063125163 386537162 /nfs/dbraw/zinc/53/71/62/386537162.db2.gz ADQXGNAIRKOYFD-AWEZNQCLSA-N 2 3 239.407 1.260 20 0 BDADHP C[C@@H]1C[C@H](CN)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359220985 387070139 /nfs/dbraw/zinc/07/01/39/387070139.db2.gz OEVUBBWCCYRVKM-DGCLKSJQSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@H](CN)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359220985 387070143 /nfs/dbraw/zinc/07/01/43/387070143.db2.gz OEVUBBWCCYRVKM-DGCLKSJQSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000333883487 387070565 /nfs/dbraw/zinc/07/05/65/387070565.db2.gz WRMJQEVCFCZWLT-QNWHQSFQSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@H](N[C@H]1CC[C@H](C[NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000333883494 387070741 /nfs/dbraw/zinc/07/07/41/387070741.db2.gz WRMJQEVCFCZWLT-ZDEQEGDKSA-N 2 3 225.380 1.234 20 0 BDADHP CC[C@@H](NCCCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000423330609 387173400 /nfs/dbraw/zinc/17/34/00/387173400.db2.gz PJPXOCRSQJRROR-VXGBXAGGSA-N 2 3 213.369 1.236 20 0 BDADHP C[C@@H]1CN(C)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423372520 387227854 /nfs/dbraw/zinc/22/78/54/387227854.db2.gz VXHSQNACFROTJP-JHJVBQTASA-N 2 3 225.380 1.058 20 0 BDADHP NCC[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000352488928 387251279 /nfs/dbraw/zinc/25/12/79/387251279.db2.gz WEAYTHSNLFSKBE-AWEZNQCLSA-N 2 3 239.407 1.579 20 0 BDADHP NCC[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000352488928 387251281 /nfs/dbraw/zinc/25/12/81/387251281.db2.gz WEAYTHSNLFSKBE-AWEZNQCLSA-N 2 3 239.407 1.579 20 0 BDADHP [NH3+]CC[C@@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000352488928 387251286 /nfs/dbraw/zinc/25/12/86/387251286.db2.gz WEAYTHSNLFSKBE-AWEZNQCLSA-N 2 3 239.407 1.579 20 0 BDADHP C[C@@H](CCC[NH3+])NC[C@H]1[NH2+]CCCC1(C)C ZINC000423391473 387276392 /nfs/dbraw/zinc/27/63/92/387276392.db2.gz PMISUJXWHTXCJD-NWDGAFQWSA-N 2 3 227.396 1.482 20 0 BDADHP C[C@@H](CCC[NH3+])N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423450049 387300296 /nfs/dbraw/zinc/30/02/96/387300296.db2.gz HCIYYMJDEQVWHE-SDDRHHMPSA-N 2 3 213.369 1.234 20 0 BDADHP C[C@@H](CCCC[NH3+])NC[C@H]1CCCC[NH2+]1 ZINC000643502354 387363897 /nfs/dbraw/zinc/36/38/97/387363897.db2.gz DHXJOVUFVZAICR-NWDGAFQWSA-N 2 3 213.369 1.236 20 0 BDADHP NC[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423495396 387339052 /nfs/dbraw/zinc/33/90/52/387339052.db2.gz FBQSFUPUOPQZPF-FVCCEPFGSA-N 2 3 225.380 1.221 20 0 BDADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C1CNC1 ZINC000422736090 387643942 /nfs/dbraw/zinc/64/39/42/387643942.db2.gz VTRBJTFETUQOPY-QWHCGFSZSA-N 2 3 241.423 1.694 20 0 BDADHP C[N@H+](CCCC[NH2+][C@H]1CCC[C@H]1CN)C1CC1 ZINC000423163834 387922242 /nfs/dbraw/zinc/92/22/42/387922242.db2.gz NPAMZXZWMOLLCO-JSGCOSHPSA-N 2 3 239.407 1.578 20 0 BDADHP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@H]1CN)C1CC1 ZINC000423163834 387922247 /nfs/dbraw/zinc/92/22/47/387922247.db2.gz NPAMZXZWMOLLCO-JSGCOSHPSA-N 2 3 239.407 1.578 20 0 BDADHP NC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423267481 388045672 /nfs/dbraw/zinc/04/56/72/388045672.db2.gz FEULCHAPRATLNB-RWMBFGLXSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCNC1 ZINC000572822560 388378632 /nfs/dbraw/zinc/37/86/32/388378632.db2.gz PNJDECXCJJYOHG-DGAVXFQQSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCNC1 ZINC000572822562 388379114 /nfs/dbraw/zinc/37/91/14/388379114.db2.gz PNJDECXCJJYOHG-RFQIPJPRSA-N 2 3 239.407 1.482 20 0 BDADHP C[N@H+]1CC=C(CN[C@@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000336345882 388457255 /nfs/dbraw/zinc/45/72/55/388457255.db2.gz HDHWVJXYTVQFAI-CABCVRRESA-N 2 3 249.402 1.465 20 0 BDADHP C[N@@H+]1CC=C(CN[C@@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000336345882 388457256 /nfs/dbraw/zinc/45/72/56/388457256.db2.gz HDHWVJXYTVQFAI-CABCVRRESA-N 2 3 249.402 1.465 20 0 BDADHP C[NH+]1CC=C(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000336345882 388457260 /nfs/dbraw/zinc/45/72/60/388457260.db2.gz HDHWVJXYTVQFAI-CABCVRRESA-N 2 3 249.402 1.465 20 0 BDADHP C[NH+]1CC=C(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000336345882 388457261 /nfs/dbraw/zinc/45/72/61/388457261.db2.gz HDHWVJXYTVQFAI-CABCVRRESA-N 2 3 249.402 1.465 20 0 BDADHP CC(C)[C@H](N)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000663502625 410278658 /nfs/dbraw/zinc/27/86/58/410278658.db2.gz JCCQPTQVXIBCLB-WXRRBKDZSA-N 2 3 227.396 1.467 20 0 BDADHP C[C@H](NCCC1(C[NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000650747711 410387149 /nfs/dbraw/zinc/38/71/49/410387149.db2.gz GDLIMMRQFMZSLK-RYUDHWBXSA-N 2 3 225.380 1.236 20 0 BDADHP CC(C)[C@H](N)CC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000663504285 411688042 /nfs/dbraw/zinc/68/80/42/411688042.db2.gz YGJFAZCOVSGEMV-FRRDWIJNSA-N 2 3 227.396 1.338 20 0 BDADHP C[NH+](C)C1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000665278805 412223644 /nfs/dbraw/zinc/22/36/44/412223644.db2.gz PHJHZPORMOGYBN-UHFFFAOYSA-N 2 3 237.391 1.201 20 0 BDADHP C[NH+](C)C1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000665278805 412223647 /nfs/dbraw/zinc/22/36/47/412223647.db2.gz PHJHZPORMOGYBN-UHFFFAOYSA-N 2 3 237.391 1.201 20 0 BDADHP C[C@@H]([NH3+])c1ccc(CNCCC[NH3+])cc1 ZINC000414809148 487825454 /nfs/dbraw/zinc/82/54/54/487825454.db2.gz GFHSIECARFMJBI-SNVBAGLBSA-N 2 3 207.321 1.145 20 0 BDADHP CCN1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000666857765 487892256 /nfs/dbraw/zinc/89/22/56/487892256.db2.gz IIJDIUJFZPQFGC-RDBSUJKOSA-N 2 3 239.407 1.448 20 0 BDADHP CC(C)NCCC[NH2+][C@@H](C)CCC[NH3+] ZINC000566849759 326087210 /nfs/dbraw/zinc/08/72/10/326087210.db2.gz CIMRDUCYSQTJRE-NSHDSACASA-N 2 3 201.358 1.092 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000656200790 488066466 /nfs/dbraw/zinc/06/64/66/488066466.db2.gz QQZBRYDOQDFLRX-VEFJFZMTSA-N 2 3 237.391 1.199 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000656200812 488067008 /nfs/dbraw/zinc/06/70/08/488067008.db2.gz QZYUDBPYTMPMCE-FQUUOJAGSA-N 2 3 239.407 1.434 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000084216631 535831549 /nfs/dbraw/zinc/83/15/49/535831549.db2.gz LUJFIKGVGYHZLN-STQMWFEESA-N 2 3 227.396 1.435 20 0 BDADHP CC1(C)CNCC[C@@H]([NH2+]CCCCCC[NH3+])C1 ZINC000902391224 584581878 /nfs/dbraw/zinc/58/18/78/584581878.db2.gz FQTUEPUSMQEPBL-CYBMUJFWSA-N 2 3 241.423 1.873 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000902403186 584588349 /nfs/dbraw/zinc/58/83/49/584588349.db2.gz DNPXWJGQMFMNGE-TUAOUCFPSA-N 2 3 225.380 1.092 20 0 BDADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902489008 584627407 /nfs/dbraw/zinc/62/74/07/584627407.db2.gz PRVOJFXHVSQKIF-YIYPIFLZSA-N 2 3 239.407 1.624 20 0 BDADHP CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445363 584769321 /nfs/dbraw/zinc/76/93/21/584769321.db2.gz JASVSIBHLFAREE-RDBSUJKOSA-N 2 3 239.407 1.387 20 0 BDADHP CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445363 584769323 /nfs/dbraw/zinc/76/93/23/584769323.db2.gz JASVSIBHLFAREE-RDBSUJKOSA-N 2 3 239.407 1.387 20 0 BDADHP CC(C)[NH2+]C1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903445705 584770243 /nfs/dbraw/zinc/77/02/43/584770243.db2.gz NJLKMFXLRCOJPV-OLZOCXBDSA-N 2 3 239.407 1.576 20 0 BDADHP CC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1N ZINC000903450461 584771944 /nfs/dbraw/zinc/77/19/44/584771944.db2.gz WIKXCGXXXUFBCJ-VOAKCMCISA-N 2 3 225.380 1.173 20 0 BDADHP CC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1N ZINC000903450461 584771945 /nfs/dbraw/zinc/77/19/45/584771945.db2.gz WIKXCGXXXUFBCJ-VOAKCMCISA-N 2 3 225.380 1.173 20 0 BDADHP CC[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000903450461 584771946 /nfs/dbraw/zinc/77/19/46/584771946.db2.gz WIKXCGXXXUFBCJ-VOAKCMCISA-N 2 3 225.380 1.173 20 0 BDADHP CNC[C@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873524 584815941 /nfs/dbraw/zinc/81/59/41/584815941.db2.gz JBWFXBXASMWHBN-WTUNAVPPSA-N 2 3 237.391 1.201 20 0 BDADHP CNC[C@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873524 584815942 /nfs/dbraw/zinc/81/59/42/584815942.db2.gz JBWFXBXASMWHBN-WTUNAVPPSA-N 2 3 237.391 1.201 20 0 BDADHP NC[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873902 584816026 /nfs/dbraw/zinc/81/60/26/584816026.db2.gz NURKZVFAPRPYIA-RLAWYHOSSA-N 2 3 237.391 1.188 20 0 BDADHP NC[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873902 584816028 /nfs/dbraw/zinc/81/60/28/584816028.db2.gz NURKZVFAPRPYIA-RLAWYHOSSA-N 2 3 237.391 1.188 20 0 BDADHP [NH3+]C[C@H]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873902 584816030 /nfs/dbraw/zinc/81/60/30/584816030.db2.gz NURKZVFAPRPYIA-RLAWYHOSSA-N 2 3 237.391 1.188 20 0 BDADHP C([NH2+][C@@H]1CCNC12CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935114 584825930 /nfs/dbraw/zinc/82/59/30/584825930.db2.gz NGNKMPSYTBNNOF-WTUNAVPPSA-N 2 3 249.402 1.391 20 0 BDADHP CCC1([NH3+])CCN(C2CCC([NH3+])CC2)CC1 ZINC000903947751 584829649 /nfs/dbraw/zinc/82/96/49/584829649.db2.gz GWOXNRVKBJUWMF-UHFFFAOYSA-N 2 3 225.380 1.460 20 0 BDADHP C[C@H]([NH3+])C1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904299762 584860646 /nfs/dbraw/zinc/86/06/46/584860646.db2.gz NSZHCTZACSXAQW-JSGCOSHPSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]([NH3+])C1CC[NH+](C[C@@]2(C)CCCNC2)CC1 ZINC000904299762 584860647 /nfs/dbraw/zinc/86/06/47/584860647.db2.gz NSZHCTZACSXAQW-JSGCOSHPSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@]1(C[NH2+]CCC[C@@H]2CCC[NH2+]2)CCCNC1 ZINC000904354210 584870278 /nfs/dbraw/zinc/87/02/78/584870278.db2.gz CXFXUVCKNSQMQL-ZIAGYGMSSA-N 2 3 239.407 1.498 20 0 BDADHP C[C@@H]1C[N@H+](C[C@]2(C)CCCNC2)C[C@H]1CC[NH3+] ZINC000904389158 584875029 /nfs/dbraw/zinc/87/50/29/584875029.db2.gz SHVLALXITMNNSA-MGPQQGTHSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1C[N@@H+](C[C@]2(C)CCCNC2)C[C@H]1CC[NH3+] ZINC000904389158 584875030 /nfs/dbraw/zinc/87/50/30/584875030.db2.gz SHVLALXITMNNSA-MGPQQGTHSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000904410605 584879342 /nfs/dbraw/zinc/87/93/42/584879342.db2.gz PPAIRWRQTKHFHN-RDBSUJKOSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1C[N@H+](C[C@@]2(C)CCCNC2)CC[C@H]1C[NH3+] ZINC000904410605 584879343 /nfs/dbraw/zinc/87/93/43/584879343.db2.gz PPAIRWRQTKHFHN-RDBSUJKOSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1C[N@@H+](C[C@@]2(C)CCCNC2)CC[C@H]1C[NH3+] ZINC000904410605 584879344 /nfs/dbraw/zinc/87/93/44/584879344.db2.gz PPAIRWRQTKHFHN-RDBSUJKOSA-N 2 3 239.407 1.293 20 0 BDADHP [NH3+]CCc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817949136 586847156 /nfs/dbraw/zinc/84/71/56/586847156.db2.gz OGZXOVOZEZBCML-GJZGRUSLSA-N 2 3 247.386 1.405 20 0 BDADHP C[C@H]1CC[N@H+](CCCCCCC[NH3+])C[C@@H]1CN ZINC000842478543 588029904 /nfs/dbraw/zinc/02/99/04/588029904.db2.gz KQBOTJMBYJYMGJ-KBPBESRZSA-N 2 3 241.423 1.812 20 0 BDADHP C[C@H]1CC[N@@H+](CCCCCCC[NH3+])C[C@@H]1CN ZINC000842478543 588029906 /nfs/dbraw/zinc/02/99/06/588029906.db2.gz KQBOTJMBYJYMGJ-KBPBESRZSA-N 2 3 241.423 1.812 20 0 BDADHP C[C@H]1CCN(CCCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000842478543 588029908 /nfs/dbraw/zinc/02/99/08/588029908.db2.gz KQBOTJMBYJYMGJ-KBPBESRZSA-N 2 3 241.423 1.812 20 0 BDADHP C[N@H+](CCCN)CCCCCCC[NH3+] ZINC000843351104 588102607 /nfs/dbraw/zinc/10/26/07/588102607.db2.gz GSXZFOQYEDSIKE-UHFFFAOYSA-N 2 3 201.358 1.176 20 0 BDADHP C[N@@H+](CCCN)CCCCCCC[NH3+] ZINC000843351104 588102608 /nfs/dbraw/zinc/10/26/08/588102608.db2.gz GSXZFOQYEDSIKE-UHFFFAOYSA-N 2 3 201.358 1.176 20 0 BDADHP CN(CCC[NH3+])CCCCCCC[NH3+] ZINC000843351104 588102609 /nfs/dbraw/zinc/10/26/09/588102609.db2.gz GSXZFOQYEDSIKE-UHFFFAOYSA-N 2 3 201.358 1.176 20 0 BDADHP C[C@H]1CN(CCCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000843354289 588103303 /nfs/dbraw/zinc/10/33/03/588103303.db2.gz XNYIWZODGKSEAZ-STQMWFEESA-N 2 3 227.396 1.565 20 0 BDADHP CC1([NH3+])CCN(CCCCCCC[NH3+])CC1 ZINC000843375369 588104885 /nfs/dbraw/zinc/10/48/85/588104885.db2.gz KZTMZJWYQIXGHU-UHFFFAOYSA-N 2 3 227.396 1.709 20 0 BDADHP C[C@@]1(CN)CC[N@H+](CCCCCCC[NH3+])C1 ZINC000843383455 588105898 /nfs/dbraw/zinc/10/58/98/588105898.db2.gz WLSJCQIHNTYXIE-ZDUSSCGKSA-N 2 3 227.396 1.566 20 0 BDADHP C[C@@]1(CN)CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843383455 588105900 /nfs/dbraw/zinc/10/59/00/588105900.db2.gz WLSJCQIHNTYXIE-ZDUSSCGKSA-N 2 3 227.396 1.566 20 0 BDADHP C[NH2+]C[C@H]1CCN(CCCCCC[NH3+])C1 ZINC000846218203 588260825 /nfs/dbraw/zinc/26/08/25/588260825.db2.gz UIKOLWMQXUZTHQ-GFCCVEGCSA-N 2 3 213.369 1.047 20 0 BDADHP C[C@@H]1CCC[N@H+](CCCCCC[NH3+])[C@H]1CCN ZINC000846226405 588261760 /nfs/dbraw/zinc/26/17/60/588261760.db2.gz MPPFAZFWFACWSP-KGLIPLIRSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])[C@H]1CCN ZINC000846226405 588261761 /nfs/dbraw/zinc/26/17/61/588261761.db2.gz MPPFAZFWFACWSP-KGLIPLIRSA-N 2 3 241.423 1.955 20 0 BDADHP N[C@H]1CCC[C@@H]([NH2+]CCCCCC[NH3+])C1 ZINC000848714630 588408170 /nfs/dbraw/zinc/40/81/70/588408170.db2.gz RVKDIJYUOFSDPP-NWDGAFQWSA-N 2 3 213.369 1.365 20 0 BDADHP CC(C)[C@@H](C[NH3+])CNCc1ccc(CC[NH3+])cc1 ZINC000873210491 589995592 /nfs/dbraw/zinc/99/55/92/589995592.db2.gz HWRMLPQSROGTDE-HNNXBMFYSA-N 2 3 249.402 1.508 20 0 BDADHP C[C@@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CC[NH2+]CC1 ZINC000873220100 589998641 /nfs/dbraw/zinc/99/86/41/589998641.db2.gz JJWYPPGYZLKSOH-RAIGVLPGSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CC[NH2+]CC1 ZINC000873220097 589998789 /nfs/dbraw/zinc/99/87/89/589998789.db2.gz JJWYPPGYZLKSOH-DRZSPHRISA-N 2 3 225.380 1.234 20 0 BDADHP CN(CCCCCC[NH3+])CC1(C[NH3+])CC1 ZINC000873231556 590003163 /nfs/dbraw/zinc/00/31/63/590003163.db2.gz OCYVZVANQCGEEM-UHFFFAOYSA-N 2 3 213.369 1.176 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@@]23CCC[C@@H]2NCC3)CC[NH2+]1 ZINC000873231857 590003297 /nfs/dbraw/zinc/00/32/97/590003297.db2.gz SAKYRSIBWZCTDL-YIYPIFLZSA-N 2 3 237.391 1.249 20 0 BDADHP [NH3+][C@H]1C[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000873256254 590011221 /nfs/dbraw/zinc/01/12/21/590011221.db2.gz NEVDETIFTZAXLQ-DMTCVQMQSA-N 2 3 231.343 1.458 20 0 BDADHP C[C@H]([NH2+][C@H]1CCC[C@H]1CN)C1CC[NH2+]CC1 ZINC000873272480 590016475 /nfs/dbraw/zinc/01/64/75/590016475.db2.gz UCGHNTSLTYOEEI-DRZSPHRISA-N 2 3 225.380 1.092 20 0 BDADHP C[C@@H](N[C@@H](C)C1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000873272823 590016668 /nfs/dbraw/zinc/01/66/68/590016668.db2.gz WSBIRQRPRJLIOZ-OUCADQQQSA-N 2 3 239.407 1.495 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925704585 634385000 /nfs/dbraw/zinc/38/50/00/634385000.db2.gz YWSHSSGPMDZSHU-FRRDWIJNSA-N 2 3 237.391 1.201 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925706776 634390924 /nfs/dbraw/zinc/39/09/24/634390924.db2.gz KLOJWLZEUUTWMY-NDBYEHHHSA-N 2 3 239.407 1.480 20 0 BDADHP CC1(C[NH2+][C@@H]2CCNC23CCC3)CC[NH2+]CC1 ZINC000925699370 634366850 /nfs/dbraw/zinc/36/68/50/634366850.db2.gz OIEUXDWUDCEXAI-GFCCVEGCSA-N 2 3 237.391 1.250 20 0 BDADHP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000229938002 643222730 /nfs/dbraw/zinc/22/27/30/643222730.db2.gz VFNQAVYEZPNQMP-ZIAGYGMSSA-N 2 3 239.407 1.435 20 0 BDADHP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923348329 644361332 /nfs/dbraw/zinc/36/13/32/644361332.db2.gz CXHTUHODCCXXRO-LFAHVKQVSA-N 2 3 249.402 1.058 20 0 BDADHP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1N ZINC001206037861 968003802 /nfs/dbraw/zinc/00/38/02/968003802.db2.gz YIORQBNFWIZVNZ-FRRDWIJNSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1N ZINC001206037861 968003815 /nfs/dbraw/zinc/00/38/15/968003815.db2.gz YIORQBNFWIZVNZ-FRRDWIJNSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@H+](C2CCNCC2)CCC[C@@H]1C[NH3+] ZINC001246570765 972844169 /nfs/dbraw/zinc/84/41/69/972844169.db2.gz VJOFQHFFTRSHNG-VXGBXAGGSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@@H](N2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246580758 972922422 /nfs/dbraw/zinc/92/24/22/972922422.db2.gz OPCZSBFMLVZYFK-YPMHNXCESA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@@H]([NH+]2CCC(CC[NH3+])CC2)CCN1 ZINC001246580758 972922439 /nfs/dbraw/zinc/92/24/39/972922439.db2.gz OPCZSBFMLVZYFK-YPMHNXCESA-N 2 3 225.380 1.188 20 0 BDADHP N[C@@H](CCC[NH3+])Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001170900985 972068809 /nfs/dbraw/zinc/06/88/09/972068809.db2.gz SNFWMOJDNFZBBQ-UONOGXRCSA-N 2 3 248.374 1.547 20 0 BDADHP C1CC12CNC[C@@H]2[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246131426 972187491 /nfs/dbraw/zinc/18/74/91/972187491.db2.gz JWDQGGLXZYBEQF-OLZOCXBDSA-N 2 3 249.402 1.250 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001246231567 972238000 /nfs/dbraw/zinc/23/80/00/972238000.db2.gz NKYMGQZAHXTXQH-JHJVBQTASA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)CCN1 ZINC001246263863 972251444 /nfs/dbraw/zinc/25/14/44/972251444.db2.gz LPJDBUFKFZFDBK-OLZOCXBDSA-N 2 3 237.391 1.202 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CCN1 ZINC001246452880 972323898 /nfs/dbraw/zinc/32/38/98/972323898.db2.gz YBUIGDWUQATLNL-YIYPIFLZSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CCN1 ZINC000715568705 967183058 /nfs/dbraw/zinc/18/30/58/967183058.db2.gz IXQHHNKHHIOLSG-ZIHBUVQPSA-N 2 3 239.407 1.589 20 0 BDADHP NC[C@@H]1CCCC[N@H+](CCCCCC[NH3+])C1 ZINC001206606411 968415094 /nfs/dbraw/zinc/41/50/94/968415094.db2.gz NBWGZIMDNFKBRJ-ZDUSSCGKSA-N 2 3 227.396 1.566 20 0 BDADHP NC[C@@H]1CCCC[N@@H+](CCCCCC[NH3+])C1 ZINC001206606411 968415098 /nfs/dbraw/zinc/41/50/98/968415098.db2.gz NBWGZIMDNFKBRJ-ZDUSSCGKSA-N 2 3 227.396 1.566 20 0 BDADHP CC(C)[N@H+](CCC[NH3+])[C@H]1CCCN(C)CC1 ZINC001254501832 969668849 /nfs/dbraw/zinc/66/88/49/969668849.db2.gz YUOYCCUDMMSFNA-ZDUSSCGKSA-N 2 3 227.396 1.530 20 0 BDADHP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCCN(C)CC1 ZINC001254501832 969668858 /nfs/dbraw/zinc/66/88/58/969668858.db2.gz YUOYCCUDMMSFNA-ZDUSSCGKSA-N 2 3 227.396 1.530 20 0 BDADHP CC[NH+](CC)CC[C@@H](C)NCCSCC[NH3+] ZINC001255952393 970588880 /nfs/dbraw/zinc/58/88/80/970588880.db2.gz UKTRMKQEFAHVIF-GFCCVEGCSA-N 2 3 247.452 1.388 20 0 BDADHP CCN(CC)CC[C@@H](C)[NH2+]CCSCC[NH3+] ZINC001255952393 970588888 /nfs/dbraw/zinc/58/88/88/970588888.db2.gz UKTRMKQEFAHVIF-GFCCVEGCSA-N 2 3 247.452 1.388 20 0 BDADHP C[C@@H]1C[N@@H+](C2CCNCC2)CCC[C@@H]1C[NH3+] ZINC001246570765 972844166 /nfs/dbraw/zinc/84/41/66/972844166.db2.gz VJOFQHFFTRSHNG-VXGBXAGGSA-N 2 3 225.380 1.045 20 0 BDADHP CC1(C[N@@H+]2C[C@H]3CCCN[C@H]3C2)CC[NH2+]CC1 ZINC001235209309 978997182 /nfs/dbraw/zinc/99/71/82/978997182.db2.gz MHEWRNHGCDWXJH-OLZOCXBDSA-N 2 3 237.391 1.060 20 0 BDADHP CC1(C[N@H+]2C[C@H]3CCCN[C@H]3C2)CC[NH2+]CC1 ZINC001235209309 978997192 /nfs/dbraw/zinc/99/71/92/978997192.db2.gz MHEWRNHGCDWXJH-OLZOCXBDSA-N 2 3 237.391 1.060 20 0 BDADHP CNCCC[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551401 979634015 /nfs/dbraw/zinc/63/40/15/979634015.db2.gz PYYWPJKZHFYMBN-HDJSIYSDSA-N 2 3 241.423 1.824 20 0 BDADHP CNCCC[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551401 979634027 /nfs/dbraw/zinc/63/40/27/979634027.db2.gz PYYWPJKZHFYMBN-HDJSIYSDSA-N 2 3 241.423 1.824 20 0 BDADHP C[NH+](C)C1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246089430 987395471 /nfs/dbraw/zinc/39/54/71/987395471.db2.gz FAOBLULRNASHCJ-MOKVOYLWSA-N 2 3 239.407 1.591 20 0 BDADHP CCN1CCC([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC001246096248 987408073 /nfs/dbraw/zinc/40/80/73/987408073.db2.gz DQRGUPDNTJZSMX-STQMWFEESA-N 2 3 239.407 1.306 20 0 BDADHP C[C@H]1C[C@H]([NH2+]CCCCC[NH+](C)C)CCN1 ZINC001246173628 987537937 /nfs/dbraw/zinc/53/79/37/987537937.db2.gz URQDXSIJMGEGMR-QWHCGFSZSA-N 2 3 227.396 1.448 20 0 BDADHP C[C@@H]1CC[C@@H](NCC[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC001246177202 987546770 /nfs/dbraw/zinc/54/67/70/987546770.db2.gz RTKCWCWDZAKHLI-HZSPNIEDSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1CC[C@@H](NCC[C@@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246177202 987546783 /nfs/dbraw/zinc/54/67/83/987546783.db2.gz RTKCWCWDZAKHLI-HZSPNIEDSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1CC[C@H](NCC[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC001246177207 987550366 /nfs/dbraw/zinc/55/03/66/987550366.db2.gz RTKCWCWDZAKHLI-RDBSUJKOSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1CC[C@H](NCC[C@@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246177207 987550370 /nfs/dbraw/zinc/55/03/70/987550370.db2.gz RTKCWCWDZAKHLI-RDBSUJKOSA-N 2 3 239.407 1.448 20 0 BDADHP CN1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001246204692 987599023 /nfs/dbraw/zinc/59/90/23/987599023.db2.gz KPLYMHLQZRLPHN-JHJVBQTASA-N 2 3 225.380 1.330 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CCN1 ZINC001246238729 987638378 /nfs/dbraw/zinc/63/83/78/987638378.db2.gz ZGIIDMFQWOQJOS-XVSSEFHLSA-N 2 3 225.380 1.329 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CCN1 ZINC001246238729 987638382 /nfs/dbraw/zinc/63/83/82/987638382.db2.gz ZGIIDMFQWOQJOS-XVSSEFHLSA-N 2 3 225.380 1.329 20 0 BDADHP CCC[NH2+]CCNC1CCC2(C[NH2+]C2)CC1 ZINC001246270372 987665262 /nfs/dbraw/zinc/66/52/62/987665262.db2.gz OEALUINCKKXUQE-UHFFFAOYSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CCN1 ZINC001246379272 987775486 /nfs/dbraw/zinc/77/54/86/987775486.db2.gz MOFPKESKSVYZKN-DGCLKSJQSA-N 2 3 237.391 1.249 20 0 BDADHP C1[C@@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C12CNC2 ZINC001246445150 987803661 /nfs/dbraw/zinc/80/36/61/987803661.db2.gz MVLBKOKDHKUDAV-ROKHWSDSSA-N 2 3 249.402 1.250 20 0 BDADHP C1[C@@H](NC2CCC3(CCC[NH2+]C3)CC2)C12C[NH2+]C2 ZINC001246445150 987803669 /nfs/dbraw/zinc/80/36/69/987803669.db2.gz MVLBKOKDHKUDAV-ROKHWSDSSA-N 2 3 249.402 1.250 20 0 BDADHP C[C@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3)CC[C@@H]1C[NH3+] ZINC001246557397 987975313 /nfs/dbraw/zinc/97/53/13/987975313.db2.gz LMCASZDJVSFKQE-DRWKLNATSA-N 2 3 249.402 1.352 20 0 BDADHP C[C@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)N3)CC[C@@H]1C[NH3+] ZINC001246557397 987975317 /nfs/dbraw/zinc/97/53/17/987975317.db2.gz LMCASZDJVSFKQE-DRWKLNATSA-N 2 3 249.402 1.352 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246564977 988013575 /nfs/dbraw/zinc/01/35/75/988013575.db2.gz ZDMFORNRHUWJSW-SYQHCUMBSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246564977 988013590 /nfs/dbraw/zinc/01/35/90/988013590.db2.gz ZDMFORNRHUWJSW-SYQHCUMBSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CCN1 ZINC001246573758 988073980 /nfs/dbraw/zinc/07/39/80/988073980.db2.gz ZDMFORNRHUWJSW-REWJHTLYSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CCN1 ZINC001246573758 988073995 /nfs/dbraw/zinc/07/39/95/988073995.db2.gz ZDMFORNRHUWJSW-REWJHTLYSA-N 2 3 239.407 1.434 20 0 BDADHP CC1(CN)C[NH+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246602154 988206109 /nfs/dbraw/zinc/20/61/09/988206109.db2.gz VXCOOMOJRQAXCH-TZMCWYRMSA-N 2 3 237.391 1.189 20 0 BDADHP CC1(C[NH3+])CN([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246602154 988206121 /nfs/dbraw/zinc/20/61/21/988206121.db2.gz VXCOOMOJRQAXCH-TZMCWYRMSA-N 2 3 237.391 1.189 20 0 BDADHP C1C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@]2(C1)CCCNC2 ZINC001246608809 988224383 /nfs/dbraw/zinc/22/43/83/988224383.db2.gz JYHHTOJUEUCJMF-XGUBFFRZSA-N 2 3 249.402 1.202 20 0 BDADHP C1C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@]2(C1)CCCNC2 ZINC001246608809 988224410 /nfs/dbraw/zinc/22/44/10/988224410.db2.gz JYHHTOJUEUCJMF-XGUBFFRZSA-N 2 3 249.402 1.202 20 0 BDADHP C1C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@]2(C1)CCCNC2 ZINC001246608810 988225230 /nfs/dbraw/zinc/22/52/30/988225230.db2.gz JYHHTOJUEUCJMF-YJNKXOJESA-N 2 3 249.402 1.202 20 0 BDADHP C1C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@]2(C1)CCCNC2 ZINC001246608810 988225246 /nfs/dbraw/zinc/22/52/46/988225246.db2.gz JYHHTOJUEUCJMF-YJNKXOJESA-N 2 3 249.402 1.202 20 0 BDADHP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246628054 988295596 /nfs/dbraw/zinc/29/55/96/988295596.db2.gz LZAUMBYYKQTIII-MQYQWHSLSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246628054 988295606 /nfs/dbraw/zinc/29/56/06/988295606.db2.gz LZAUMBYYKQTIII-MQYQWHSLSA-N 2 3 237.391 1.058 20 0 BDADHP CC[C@@H]1CC(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246667184 988411246 /nfs/dbraw/zinc/41/12/46/988411246.db2.gz YBSKBUWEFQOCLM-NBUWXKEQSA-N 2 3 237.391 1.185 20 0 BDADHP C[NH2+]CC1CC[NH+]([C@@H]2CCN[C@H](C)C2)CC1 ZINC001246783133 988459523 /nfs/dbraw/zinc/45/95/23/988459523.db2.gz WLPBFYVQPUMGPI-DGCLKSJQSA-N 2 3 225.380 1.058 20 0 BDADHP CNCC[C@@H](C)[N@H+](C)CCC1CC[NH2+]CC1 ZINC001246794570 988475536 /nfs/dbraw/zinc/47/55/36/988475536.db2.gz GAVSSOLGXQKDRY-GFCCVEGCSA-N 2 3 227.396 1.306 20 0 BDADHP CNCC[C@@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246794570 988475543 /nfs/dbraw/zinc/47/55/43/988475543.db2.gz GAVSSOLGXQKDRY-GFCCVEGCSA-N 2 3 227.396 1.306 20 0 BDADHP C[NH+]1CCC2(CC[N@@H+](C3CCNCC3)C2)CC1 ZINC001246841636 988546657 /nfs/dbraw/zinc/54/66/57/988546657.db2.gz NQZKZLQSOQDKBX-UHFFFAOYSA-N 2 3 237.391 1.156 20 0 BDADHP C[NH+]1CCC2(CC[N@H+](C3CCNCC3)C2)CC1 ZINC001246841636 988546668 /nfs/dbraw/zinc/54/66/68/988546668.db2.gz NQZKZLQSOQDKBX-UHFFFAOYSA-N 2 3 237.391 1.156 20 0 BDADHP C[NH2+]C[C@H](C)CN[C@@H](CCC[NH3+])c1ccccc1 ZINC001119630777 989267185 /nfs/dbraw/zinc/26/71/85/989267185.db2.gz JTRDNZPWRMNENS-ZFWWWQNUSA-N 2 3 249.402 1.912 20 0 BDADHP CNCCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424291353 398180819 /nfs/dbraw/zinc/18/08/19/398180819.db2.gz NPKUSDJMMKXRGV-GFCCVEGCSA-N 2 3 225.380 1.060 20 0 BDADHP CNCCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424291353 398180821 /nfs/dbraw/zinc/18/08/21/398180821.db2.gz NPKUSDJMMKXRGV-GFCCVEGCSA-N 2 3 225.380 1.060 20 0 BDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCNCC1 ZINC000556952982 343627921 /nfs/dbraw/zinc/62/79/21/343627921.db2.gz JHPCCMNCSVYMEW-VZANTVGXSA-N 2 3 237.391 1.234 20 0 BDADHP CC(C)[C@H](CN)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000634991052 345174170 /nfs/dbraw/zinc/17/41/70/345174170.db2.gz OAUXRWDJHLJLIW-WCQYABFASA-N 2 3 227.396 1.277 20 0 BDADHP CC(C)[C@H](C[NH3+])CN1CCC([C@H](C)[NH3+])CC1 ZINC000634991052 345174173 /nfs/dbraw/zinc/17/41/73/345174173.db2.gz OAUXRWDJHLJLIW-WCQYABFASA-N 2 3 227.396 1.277 20 0 BDADHP C[NH2+]CCC1CC[NH+](C[C@@H](CN)C(C)C)CC1 ZINC000634991484 345177683 /nfs/dbraw/zinc/17/76/83/345177683.db2.gz GKXIPQMXTCDBAK-CQSZACIVSA-N 2 3 241.423 1.539 20 0 BDADHP C[NH2+]CCC1CCN(C[C@@H](C[NH3+])C(C)C)CC1 ZINC000634991484 345177684 /nfs/dbraw/zinc/17/76/84/345177684.db2.gz GKXIPQMXTCDBAK-CQSZACIVSA-N 2 3 241.423 1.539 20 0 BDADHP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCNC1 ZINC000577708954 366040961 /nfs/dbraw/zinc/04/09/61/366040961.db2.gz MDHQSQOJYKCPTA-BFHYXJOUSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[NH3+])cc1 ZINC000582181902 355646077 /nfs/dbraw/zinc/64/60/77/355646077.db2.gz ZITIHCNNWIYTNO-WDEREUQCSA-N 2 3 221.348 1.361 20 0 BDADHP C[C@@H]1CC[C@H](NC[C@@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC000629660472 361565511 /nfs/dbraw/zinc/56/55/11/361565511.db2.gz USDZIJYKAIWQLD-XQHKEYJVSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H]1CC[C@H](NC[C@@H]2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC000629660469 361566054 /nfs/dbraw/zinc/56/60/54/361566054.db2.gz USDZIJYKAIWQLD-LPWJVIDDSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000581132211 367272132 /nfs/dbraw/zinc/27/21/32/367272132.db2.gz DGGZHVPVMOWURG-DOMZBBRYSA-N 2 3 247.386 1.575 20 0 BDADHP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000581132211 367272138 /nfs/dbraw/zinc/27/21/38/367272138.db2.gz DGGZHVPVMOWURG-DOMZBBRYSA-N 2 3 247.386 1.575 20 0 BDADHP C[C@H](NCCCC[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000386576025 367994854 /nfs/dbraw/zinc/99/48/54/367994854.db2.gz NFGZCINXFITQNT-QWHCGFSZSA-N 2 3 227.396 1.448 20 0 BDADHP C[C@H]1CN(CCCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647844876 385895016 /nfs/dbraw/zinc/89/50/16/385895016.db2.gz YOWRHUNDKFGXFH-JSGCOSHPSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665198 386107548 /nfs/dbraw/zinc/10/75/48/386107548.db2.gz UUJDOEKVCJTPSP-RQJABVFESA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665198 386107552 /nfs/dbraw/zinc/10/75/52/386107552.db2.gz UUJDOEKVCJTPSP-RQJABVFESA-N 2 3 239.407 1.434 20 0 BDADHP CNC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414660316 386090600 /nfs/dbraw/zinc/09/06/00/386090600.db2.gz MPJQHDPHTXRTCH-UPJWGTAASA-N 2 3 225.380 1.058 20 0 BDADHP CNC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414660316 386090603 /nfs/dbraw/zinc/09/06/03/386090603.db2.gz MPJQHDPHTXRTCH-UPJWGTAASA-N 2 3 225.380 1.058 20 0 BDADHP CC(C)[C@H](N)CC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414662392 386099119 /nfs/dbraw/zinc/09/91/19/386099119.db2.gz QAZJXZJSRPKKFN-MGPQQGTHSA-N 2 3 241.423 1.680 20 0 BDADHP CC(C)[C@H](N)CC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414662392 386099122 /nfs/dbraw/zinc/09/91/22/386099122.db2.gz QAZJXZJSRPKKFN-MGPQQGTHSA-N 2 3 241.423 1.680 20 0 BDADHP CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414662392 386099128 /nfs/dbraw/zinc/09/91/28/386099128.db2.gz QAZJXZJSRPKKFN-MGPQQGTHSA-N 2 3 241.423 1.680 20 0 BDADHP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CC[NH2+]1 ZINC000414698159 386198178 /nfs/dbraw/zinc/19/81/78/386198178.db2.gz IQIKNZIIQVGANB-XDQVBPFNSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CC[NH2+]1 ZINC000414698159 386198181 /nfs/dbraw/zinc/19/81/81/386198181.db2.gz IQIKNZIIQVGANB-XDQVBPFNSA-N 2 3 237.391 1.058 20 0 BDADHP CC[NH2+]CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000347199355 386282034 /nfs/dbraw/zinc/28/20/34/386282034.db2.gz JEQIWHVTQPJIRR-CQSZACIVSA-N 2 3 239.407 1.308 20 0 BDADHP CC[NH2+]CC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000347199355 386282039 /nfs/dbraw/zinc/28/20/39/386282039.db2.gz JEQIWHVTQPJIRR-CQSZACIVSA-N 2 3 239.407 1.308 20 0 BDADHP [NH3+]CC1(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000414775036 386473059 /nfs/dbraw/zinc/47/30/59/386473059.db2.gz GBARUHLFJMYRAF-OLZOCXBDSA-N 2 3 237.391 1.047 20 0 BDADHP C[C@@H]1C[C@@H](C[NH2+]C[C@]2(C)CCCNC2)CC[NH2+]1 ZINC000414919824 386563713 /nfs/dbraw/zinc/56/37/13/386563713.db2.gz XWYZNRUVJIDVKW-HZSPNIEDSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@@H]1C[C@@H](CN[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000415073547 386564444 /nfs/dbraw/zinc/56/44/44/386564444.db2.gz NPQCICIGZDHHSX-FRRDWIJNSA-N 2 3 225.380 1.106 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000414803754 386600170 /nfs/dbraw/zinc/60/01/70/386600170.db2.gz NZDIFYBNOWLVKH-STQMWFEESA-N 2 3 225.380 1.093 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CCCNC1 ZINC000423341752 387191015 /nfs/dbraw/zinc/19/10/15/387191015.db2.gz MUUSXMWUHDPBOG-OLZOCXBDSA-N 2 3 227.396 1.483 20 0 BDADHP C[C@H](CCC[NH3+])NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423391471 387276625 /nfs/dbraw/zinc/27/66/25/387276625.db2.gz PMISUJXWHTXCJD-NEPJUHHUSA-N 2 3 227.396 1.482 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]CCC1CC[NH+](C)CC1 ZINC000422733652 387640709 /nfs/dbraw/zinc/64/07/09/387640709.db2.gz BQOPTWVTRPUSTL-NWDGAFQWSA-N 2 3 227.396 1.434 20 0 BDADHP CC[C@@H](NCC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422741110 387647913 /nfs/dbraw/zinc/64/79/13/387647913.db2.gz OATZFZMCKNKAQN-KGLIPLIRSA-N 2 3 239.407 1.448 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535901 387866323 /nfs/dbraw/zinc/86/63/23/387866323.db2.gz KVUGDAPPDVMNDP-RWMBFGLXSA-N 2 3 237.391 1.236 20 0 BDADHP CC(C)N(C)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422968788 387819808 /nfs/dbraw/zinc/81/98/08/387819808.db2.gz XSEXQEGWNPJCMT-UHFFFAOYSA-N 2 3 241.423 1.824 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423088840 387880487 /nfs/dbraw/zinc/88/04/87/387880487.db2.gz QXAZHXOWWUUGSW-RYUDHWBXSA-N 2 3 239.407 1.576 20 0 BDADHP C[C@H](NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423238445 388023009 /nfs/dbraw/zinc/02/30/09/388023009.db2.gz AKEWJBHMQKWAEU-AVGNSLFASA-N 2 3 225.380 1.106 20 0 BDADHP NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423267479 388046133 /nfs/dbraw/zinc/04/61/33/388046133.db2.gz FEULCHAPRATLNB-AVGNSLFASA-N 2 3 225.380 1.093 20 0 BDADHP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])CN1CCCC1 ZINC000336712615 388466611 /nfs/dbraw/zinc/46/66/11/388466611.db2.gz OBWBZMLBWMSODG-KGLIPLIRSA-N 2 3 241.423 1.825 20 0 BDADHP C[C@@]1(CN2CCC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000261866378 135258014 /nfs/dbraw/zinc/25/80/14/135258014.db2.gz NZXYAMVBEWTCDS-CHWSQXEVSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@]1(CN2CCC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000261866400 135258195 /nfs/dbraw/zinc/25/81/95/135258195.db2.gz NZXYAMVBEWTCDS-STQMWFEESA-N 2 3 225.380 1.047 20 0 BDADHP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)CN(C)C ZINC000383660651 398032991 /nfs/dbraw/zinc/03/29/91/398032991.db2.gz JGMCYRIOWVKLPN-OLZOCXBDSA-N 2 3 241.423 1.504 20 0 BDADHP C[NH2+]Cc1ccccc1CNCC1(C[NH3+])CC1 ZINC000650720621 410359338 /nfs/dbraw/zinc/35/93/38/410359338.db2.gz WAPQUGJSCZCESA-UHFFFAOYSA-N 2 3 233.359 1.235 20 0 BDADHP CC(C)C[C@@H](N)C[NH+]1CCC(CC[NH3+])CC1 ZINC000650722284 410361011 /nfs/dbraw/zinc/36/10/11/410361011.db2.gz ORIRZBCIDIIMKP-CYBMUJFWSA-N 2 3 227.396 1.421 20 0 BDADHP [NH3+]CC1(CC[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000650746027 410384503 /nfs/dbraw/zinc/38/45/03/410384503.db2.gz ULMWNQKYFFRZBM-STQMWFEESA-N 2 3 237.391 1.332 20 0 BDADHP [NH3+]CC1(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000650746027 410384510 /nfs/dbraw/zinc/38/45/10/410384510.db2.gz ULMWNQKYFFRZBM-STQMWFEESA-N 2 3 237.391 1.332 20 0 BDADHP [NH3+]CC1(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000650746027 410384514 /nfs/dbraw/zinc/38/45/14/410384514.db2.gz ULMWNQKYFFRZBM-STQMWFEESA-N 2 3 237.391 1.332 20 0 BDADHP [NH3+]CC1(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000650747522 410388205 /nfs/dbraw/zinc/38/82/05/410388205.db2.gz BSYYBXZHBYFYIX-KBPBESRZSA-N 2 3 245.370 1.850 20 0 BDADHP C[NH2+]Cc1ccccc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000650755557 410403063 /nfs/dbraw/zinc/40/30/63/410403063.db2.gz HPGFZMHESKPZSJ-NEPJUHHUSA-N 2 3 235.375 1.621 20 0 BDADHP C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCC[NH2+]1 ZINC000656199679 411202607 /nfs/dbraw/zinc/20/26/07/411202607.db2.gz AWKZURVZDGZXLY-MQYQWHSLSA-N 2 3 239.407 1.447 20 0 BDADHP C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCC[NH2+]1 ZINC000656199677 411202983 /nfs/dbraw/zinc/20/29/83/411202983.db2.gz AWKZURVZDGZXLY-FQUUOJAGSA-N 2 3 239.407 1.447 20 0 BDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000656200387 411204539 /nfs/dbraw/zinc/20/45/39/411204539.db2.gz LURBMTFQOXCYCW-RDBSUJKOSA-N 2 3 239.407 1.578 20 0 BDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000656200387 411204543 /nfs/dbraw/zinc/20/45/43/411204543.db2.gz LURBMTFQOXCYCW-RDBSUJKOSA-N 2 3 239.407 1.578 20 0 BDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000656200386 411205103 /nfs/dbraw/zinc/20/51/03/411205103.db2.gz LURBMTFQOXCYCW-MGPQQGTHSA-N 2 3 239.407 1.578 20 0 BDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000656200386 411205105 /nfs/dbraw/zinc/20/51/05/411205105.db2.gz LURBMTFQOXCYCW-MGPQQGTHSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656201182 411206193 /nfs/dbraw/zinc/20/61/93/411206193.db2.gz ULMNJOLGQUHUPG-YIYPIFLZSA-N 2 3 239.407 1.304 20 0 BDADHP CCC[NH2+]CCN[C@@H](C)C1CC[NH+](C)CC1 ZINC000643515252 411285439 /nfs/dbraw/zinc/28/54/39/411285439.db2.gz SWKCWYPBSUXJCE-LBPRGKRZSA-N 2 3 227.396 1.306 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)CNCC2 ZINC000656787465 411365884 /nfs/dbraw/zinc/36/58/84/411365884.db2.gz ZATAMRHOJFKCSO-GFCCVEGCSA-N 2 3 247.386 1.549 20 0 BDADHP CC(C)[C@H](N)CC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000663504288 411688511 /nfs/dbraw/zinc/68/85/11/411688511.db2.gz YGJFAZCOVSGEMV-YNEHKIRRSA-N 2 3 227.396 1.338 20 0 BDADHP N[C@H]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000086403955 487720925 /nfs/dbraw/zinc/72/09/25/487720925.db2.gz WFTRKAJWDIZBGF-ADPBJBESSA-N 2 3 211.353 1.116 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@H](N)C2)CC[NH2+]1 ZINC000414913988 487828010 /nfs/dbraw/zinc/82/80/10/487828010.db2.gz JYVWYQVMODBNFC-NDBYEHHHSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@@H]1C[C@@H](CNC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000666770573 487877690 /nfs/dbraw/zinc/87/76/90/487877690.db2.gz KBLNUDZWHQTQFK-FRRDWIJNSA-N 2 3 225.380 1.106 20 0 BDADHP CC(C)(C)NCC[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955424 487917248 /nfs/dbraw/zinc/91/72/48/487917248.db2.gz JGNIIVPPHUOWOZ-NSHDSACASA-N 2 3 225.380 1.106 20 0 BDADHP [NH3+]Cc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000565599135 325932859 /nfs/dbraw/zinc/93/28/59/325932859.db2.gz MKXDTHJDUHCYBA-LSDHHAIUSA-N 2 3 247.386 1.752 20 0 BDADHP C[C@@H](NCC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000566908998 326092999 /nfs/dbraw/zinc/09/29/99/326092999.db2.gz WBQVDPGBACOUTH-YPMHNXCESA-N 2 3 225.380 1.106 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000656200817 488066617 /nfs/dbraw/zinc/06/66/17/488066617.db2.gz QZYUDBPYTMPMCE-YIYPIFLZSA-N 2 3 239.407 1.434 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084216625 535831370 /nfs/dbraw/zinc/83/13/70/535831370.db2.gz LUJFIKGVGYHZLN-CHWSQXEVSA-N 2 3 227.396 1.435 20 0 BDADHP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CNCC1(C)C ZINC000902447274 584604968 /nfs/dbraw/zinc/60/49/68/584604968.db2.gz XUOPLVYDYIWIKS-QWRGUYRKSA-N 2 3 213.369 1.092 20 0 BDADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490114 584617284 /nfs/dbraw/zinc/61/72/84/584617284.db2.gz SGZASPIEEIVEBZ-KVSVUVNWSA-N 2 3 237.391 1.090 20 0 BDADHP CC1(C)[C@@H](N[C@H]2C[C@H](C[NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902490114 584617286 /nfs/dbraw/zinc/61/72/86/584617286.db2.gz SGZASPIEEIVEBZ-KVSVUVNWSA-N 2 3 237.391 1.090 20 0 BDADHP CC1(C)[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H]2CCCN[C@@H]21 ZINC000902490115 584617686 /nfs/dbraw/zinc/61/76/86/584617686.db2.gz SGZASPIEEIVEBZ-NJMOYASZSA-N 2 3 237.391 1.090 20 0 BDADHP CC1(C)[C@H](N[C@H]2C[C@H](C[NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902490115 584617687 /nfs/dbraw/zinc/61/76/87/584617687.db2.gz SGZASPIEEIVEBZ-NJMOYASZSA-N 2 3 237.391 1.090 20 0 BDADHP C[NH2+]C[C@@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903420541 584763605 /nfs/dbraw/zinc/76/36/05/584763605.db2.gz BTTLEPUYGIBDIJ-AGIUHOORSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CN ZINC000903459196 584765847 /nfs/dbraw/zinc/76/58/47/584765847.db2.gz DQYZNSIPRHGITP-KSTCHIGDSA-N 2 3 239.407 1.419 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CN ZINC000903459196 584765848 /nfs/dbraw/zinc/76/58/48/584765848.db2.gz DQYZNSIPRHGITP-KSTCHIGDSA-N 2 3 239.407 1.419 20 0 BDADHP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCNC12CCC2 ZINC000903471864 584775395 /nfs/dbraw/zinc/77/53/95/584775395.db2.gz VDYKPXCIRLTZDK-QWHCGFSZSA-N 2 3 237.391 1.250 20 0 BDADHP [NH3+]CC[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903747249 584795084 /nfs/dbraw/zinc/79/50/84/584795084.db2.gz QMBULJLJDSDCRQ-UONOGXRCSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@]1(C[NH3+])CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903905733 584821014 /nfs/dbraw/zinc/82/10/14/584821014.db2.gz MRVYTMKKOJVUPX-WTUNAVPPSA-N 2 3 237.391 1.188 20 0 BDADHP C[C@@]1(C[NH3+])CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903905732 584821050 /nfs/dbraw/zinc/82/10/50/584821050.db2.gz MRVYTMKKOJVUPX-GSPSYOTPSA-N 2 3 237.391 1.188 20 0 BDADHP C[N@H+](C[C@@]1(C)CCCNC1)C1CCC([NH3+])CC1 ZINC000904301492 584861104 /nfs/dbraw/zinc/86/11/04/584861104.db2.gz MDNBSKPOSRTSAT-RUXDESIVSA-N 2 3 239.407 1.578 20 0 BDADHP C[N@@H+](C[C@@]1(C)CCCNC1)C1CCC([NH3+])CC1 ZINC000904301492 584861105 /nfs/dbraw/zinc/86/11/05/584861105.db2.gz MDNBSKPOSRTSAT-RUXDESIVSA-N 2 3 239.407 1.578 20 0 BDADHP C[N@H+](C[C@]1(C)CCCNC1)C1CCC([NH3+])CC1 ZINC000904301491 584861613 /nfs/dbraw/zinc/86/16/13/584861613.db2.gz MDNBSKPOSRTSAT-JXQTWKCFSA-N 2 3 239.407 1.578 20 0 BDADHP C[N@@H+](C[C@]1(C)CCCNC1)C1CCC([NH3+])CC1 ZINC000904301491 584861614 /nfs/dbraw/zinc/86/16/14/584861614.db2.gz MDNBSKPOSRTSAT-JXQTWKCFSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@]1(C[NH2+][C@@H]2CC23CC[NH2+]CC3)CCCNC1 ZINC000904355413 584870962 /nfs/dbraw/zinc/87/09/62/584870962.db2.gz RGUDYMUMFXCAMB-OLZOCXBDSA-N 2 3 237.391 1.108 20 0 BDADHP C[C@]1(CN[C@@H]2CC23CC[NH2+]CC3)CCC[NH2+]C1 ZINC000904355413 584870963 /nfs/dbraw/zinc/87/09/63/584870963.db2.gz RGUDYMUMFXCAMB-OLZOCXBDSA-N 2 3 237.391 1.108 20 0 BDADHP C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1CCN ZINC000904376246 584875821 /nfs/dbraw/zinc/87/58/21/584875821.db2.gz NHKARBJZXCDIEV-FVCCEPFGSA-N 2 3 225.380 1.173 20 0 BDADHP C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1CCN ZINC000904376246 584875822 /nfs/dbraw/zinc/87/58/22/584875822.db2.gz NHKARBJZXCDIEV-FVCCEPFGSA-N 2 3 225.380 1.173 20 0 BDADHP CC(C)([NH3+])CCNCc1ccc(C[NH3+])cc1 ZINC000904386123 584877932 /nfs/dbraw/zinc/87/79/32/584877932.db2.gz PLGSDXGWTBFHDA-UHFFFAOYSA-N 2 3 221.348 1.362 20 0 BDADHP NC[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843347738 588102482 /nfs/dbraw/zinc/10/24/82/588102482.db2.gz JLNQMVVHGPYDDX-ZDUSSCGKSA-N 2 3 227.396 1.566 20 0 BDADHP NC[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843347738 588102484 /nfs/dbraw/zinc/10/24/84/588102484.db2.gz JLNQMVVHGPYDDX-ZDUSSCGKSA-N 2 3 227.396 1.566 20 0 BDADHP [NH3+]CCCCCCCN1CCC[C@@H](C[NH3+])C1 ZINC000843347738 588102485 /nfs/dbraw/zinc/10/24/85/588102485.db2.gz JLNQMVVHGPYDDX-ZDUSSCGKSA-N 2 3 227.396 1.566 20 0 BDADHP [NH3+]CCCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000843377588 588105287 /nfs/dbraw/zinc/10/52/87/588105287.db2.gz DRSJEIOPFRFMQZ-BETUJISGSA-N 2 3 225.380 1.047 20 0 BDADHP CC(C)[C@H](CN)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000873200544 589992999 /nfs/dbraw/zinc/99/29/99/589992999.db2.gz CDEZBLIDLGKVLV-PNESKVBLSA-N 2 3 227.396 1.419 20 0 BDADHP CC(C)[C@H](CN)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000873200544 589993001 /nfs/dbraw/zinc/99/30/01/589993001.db2.gz CDEZBLIDLGKVLV-PNESKVBLSA-N 2 3 227.396 1.419 20 0 BDADHP C[C@@H](C[NH3+])CNCc1cc2c(s1)CC[NH2+]C2 ZINC000873210942 589994912 /nfs/dbraw/zinc/99/49/12/589994912.db2.gz SVEOLWHPAFPVQE-VIFPVBQESA-N 2 3 239.388 1.078 20 0 BDADHP [NH3+][C@H]1C[C@@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000873249863 590007506 /nfs/dbraw/zinc/00/75/06/590007506.db2.gz NEVDETIFTZAXLQ-GIFSMMMISA-N 2 3 231.343 1.458 20 0 BDADHP C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873269587 590015552 /nfs/dbraw/zinc/01/55/52/590015552.db2.gz IFYDKCZDRMXBAK-MDZLAQPJSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN1)C1CC[NH2+]CC1 ZINC000873269587 590015555 /nfs/dbraw/zinc/01/55/55/590015555.db2.gz IFYDKCZDRMXBAK-MDZLAQPJSA-N 2 3 225.380 1.105 20 0 BDADHP CC(C)(C[NH3+])C1CC[NH+](CC2(CN)CC2)CC1 ZINC000904442558 637411582 /nfs/dbraw/zinc/41/15/82/637411582.db2.gz DBKRQMPFXSAZSK-UHFFFAOYSA-N 2 3 239.407 1.422 20 0 BDADHP C[C@@H]1CN(CCC[NH2+]C2CC2)CC[C@H]1C[NH3+] ZINC000923494524 644469972 /nfs/dbraw/zinc/46/99/72/644469972.db2.gz YLXVZBFQQZDRSK-NEPJUHHUSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@H+](CCCNC2CC2)CC[C@H]1C[NH3+] ZINC000923494524 644469974 /nfs/dbraw/zinc/46/99/74/644469974.db2.gz YLXVZBFQQZDRSK-NEPJUHHUSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@@H+](CCCNC2CC2)CC[C@H]1C[NH3+] ZINC000923494524 644469977 /nfs/dbraw/zinc/46/99/77/644469977.db2.gz YLXVZBFQQZDRSK-NEPJUHHUSA-N 2 3 225.380 1.045 20 0 BDADHP [NH3+][C@@H]1CC[C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000925879439 646528824 /nfs/dbraw/zinc/52/88/24/646528824.db2.gz DQRJBHLWWIPZSG-JLUCKKNBSA-N 2 3 245.370 1.848 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH2+]CC[C@H]2C)CCN1 ZINC001246104845 972166550 /nfs/dbraw/zinc/16/65/50/972166550.db2.gz BZFSFQOOFQQCER-SYQHCUMBSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246503892 972361198 /nfs/dbraw/zinc/36/11/98/972361198.db2.gz MRRDMKAQJPYEOZ-AAEUAGOBSA-N 2 3 237.391 1.249 20 0 BDADHP [NH3+]CCCCCN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265492 972432760 /nfs/dbraw/zinc/43/27/60/972432760.db2.gz UQPGYWWHRZXRJU-CQSZACIVSA-N 2 3 239.407 1.581 20 0 BDADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205903497 967880650 /nfs/dbraw/zinc/88/06/50/967880650.db2.gz PRTJJPDRACVHGJ-MCIONIFRSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1[C@H](CN)CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205903497 967880655 /nfs/dbraw/zinc/88/06/55/967880655.db2.gz PRTJJPDRACVHGJ-MCIONIFRSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1[C@H](C[NH3+])CCCN1CC[C@H]1CCC[NH2+]C1 ZINC001205903497 967880657 /nfs/dbraw/zinc/88/06/57/967880657.db2.gz PRTJJPDRACVHGJ-MCIONIFRSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](N)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206749800 968454773 /nfs/dbraw/zinc/45/47/73/968454773.db2.gz NNTHPBWGCJNXJN-ZDUSSCGKSA-N 2 3 247.386 1.326 20 0 BDADHP CC[NH+](CC)C1CCC([NH2+]C[C@@H](C)CN)CC1 ZINC001173107492 975026068 /nfs/dbraw/zinc/02/60/68/975026068.db2.gz UMKIUTUYHLESDL-HSBZDZAISA-N 2 3 241.423 1.824 20 0 BDADHP CCN1CCC([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC001246096244 987409713 /nfs/dbraw/zinc/40/97/13/987409713.db2.gz DQRGUPDNTJZSMX-QWHCGFSZSA-N 2 3 239.407 1.306 20 0 BDADHP C[NH2+]C1CCC(NC[C@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246107422 987435866 /nfs/dbraw/zinc/43/58/66/987435866.db2.gz GTJZIVFDLIOTOP-BLYZHGLHSA-N 2 3 239.407 1.495 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CCN1 ZINC001246112400 987444644 /nfs/dbraw/zinc/44/46/44/987444644.db2.gz SFLFPXDBOMHRCL-DGCLKSJQSA-N 2 3 225.380 1.106 20 0 BDADHP [NH3+][C@H]1CC[C@@H](CCN[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246202399 987599477 /nfs/dbraw/zinc/59/94/77/987599477.db2.gz OMJDFZWCEKZROK-HZSPNIEDSA-N 2 3 239.407 1.626 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1 ZINC001246210223 987607248 /nfs/dbraw/zinc/60/72/48/987607248.db2.gz IWYJCIXOGGLHMY-VXGBXAGGSA-N 2 3 225.380 1.106 20 0 BDADHP CCSC[C@H](C)NCCC[NH2+]CCCC[NH3+] ZINC001246454951 987808966 /nfs/dbraw/zinc/80/89/66/987808966.db2.gz BOCGQJNQEPOUAX-LBPRGKRZSA-N 2 3 247.452 1.436 20 0 BDADHP C[C@@H]1CN(C2CCC3(CC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246564673 988017101 /nfs/dbraw/zinc/01/71/01/988017101.db2.gz YGXOUROQZSRLST-NELGMTEASA-N 2 3 237.391 1.188 20 0 BDADHP C[C@H]1C[N@@H+](C2CCNCC2)CCC[C@@H]1C[NH3+] ZINC001246570762 988049311 /nfs/dbraw/zinc/04/93/11/988049311.db2.gz VJOFQHFFTRSHNG-NWDGAFQWSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[N@H+](C2CCNCC2)CCC[C@@H]1C[NH3+] ZINC001246570762 988049327 /nfs/dbraw/zinc/04/93/27/988049327.db2.gz VJOFQHFFTRSHNG-NWDGAFQWSA-N 2 3 225.380 1.045 20 0 BDADHP CC1(CN)C[NH+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246602152 988210288 /nfs/dbraw/zinc/21/02/88/988210288.db2.gz VXCOOMOJRQAXCH-JSGCOSHPSA-N 2 3 237.391 1.189 20 0 BDADHP CC1(C[NH3+])CN([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246602152 988210309 /nfs/dbraw/zinc/21/03/09/988210309.db2.gz VXCOOMOJRQAXCH-JSGCOSHPSA-N 2 3 237.391 1.189 20 0 BDADHP CC[C@@H]1C[C@H](N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246667177 988412812 /nfs/dbraw/zinc/41/28/12/988412812.db2.gz YBSKBUWEFQOCLM-KXSLGULGSA-N 2 3 237.391 1.185 20 0 BDADHP CC[NH+](CC)CCC[C@H](C)N1CCC[C@H]1C[NH3+] ZINC001258899014 991896289 /nfs/dbraw/zinc/89/62/89/991896289.db2.gz BANGSNQCKCSGQS-KBPBESRZSA-N 2 3 241.423 1.920 20 0 BDADHP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)CN(C)C ZINC000383660650 398258566 /nfs/dbraw/zinc/25/85/66/398258566.db2.gz JGMCYRIOWVKLPN-CHWSQXEVSA-N 2 3 241.423 1.504 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@]23CCC[C@@H]2CNC3)CC[NH2+]1 ZINC000634733434 344113275 /nfs/dbraw/zinc/11/32/75/344113275.db2.gz FRKNAIIMWKJQFY-SYQHCUMBSA-N 2 3 237.391 1.106 20 0 BDADHP CC(C)[C@@H](CN)C[NH+]1CCC(CC[NH3+])CC1 ZINC000634996900 345186423 /nfs/dbraw/zinc/18/64/23/345186423.db2.gz YJCQUGKOJLZSJZ-ZDUSSCGKSA-N 2 3 227.396 1.278 20 0 BDADHP CC(C)[C@@H](C[NH3+])CN1CCC(CC[NH3+])CC1 ZINC000634996900 345186426 /nfs/dbraw/zinc/18/64/26/345186426.db2.gz YJCQUGKOJLZSJZ-ZDUSSCGKSA-N 2 3 227.396 1.278 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000580646091 365841535 /nfs/dbraw/zinc/84/15/35/365841535.db2.gz DBBNJHJGGJACNY-QYNFOATHSA-N 2 3 213.369 1.219 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000580646089 365841975 /nfs/dbraw/zinc/84/19/75/365841975.db2.gz DBBNJHJGGJACNY-JYBOHDQNSA-N 2 3 213.369 1.219 20 0 BDADHP CN1CCC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250559948 349175152 /nfs/dbraw/zinc/17/51/52/349175152.db2.gz CESWUKKBVMLPFO-AGIUHOORSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@]1(C[NH2+]C2CCC(C[NH3+])CC2)CCCNC1 ZINC000414917956 352272564 /nfs/dbraw/zinc/27/25/64/352272564.db2.gz SREODRRUYKEHSB-JXQTWKCFSA-N 2 3 239.407 1.483 20 0 BDADHP NCC[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420322232 192228541 /nfs/dbraw/zinc/22/85/41/192228541.db2.gz WJJRFSVVLZDJST-QWHCGFSZSA-N 2 3 225.380 1.189 20 0 BDADHP NCC[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420322232 192228545 /nfs/dbraw/zinc/22/85/45/192228545.db2.gz WJJRFSVVLZDJST-QWHCGFSZSA-N 2 3 225.380 1.189 20 0 BDADHP [NH3+]CC[C@H]1CCCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420322232 192228548 /nfs/dbraw/zinc/22/85/48/192228548.db2.gz WJJRFSVVLZDJST-QWHCGFSZSA-N 2 3 225.380 1.189 20 0 BDADHP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000226343879 358337127 /nfs/dbraw/zinc/33/71/27/358337127.db2.gz FSUPZLPYGARFEX-STQMWFEESA-N 2 3 239.407 1.578 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423442697 192772369 /nfs/dbraw/zinc/77/23/69/192772369.db2.gz VGMKOHDBJGTKNH-XQQFMLRXSA-N 2 3 227.396 1.482 20 0 BDADHP C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000629542038 361418279 /nfs/dbraw/zinc/41/82/79/361418279.db2.gz XFYZCQURTVDSNK-ITGHMWBKSA-N 2 3 237.391 1.105 20 0 BDADHP C(C[N@@H+]1CC[C@]2(C1)CCCNC2)[C@@H]1CC[NH2+]C1 ZINC000335007728 541419204 /nfs/dbraw/zinc/41/92/04/541419204.db2.gz IQOXLROMUQNURM-UONOGXRCSA-N 2 3 237.391 1.062 20 0 BDADHP C(C[N@H+]1CC[C@]2(C1)CCCNC2)[C@@H]1CC[NH2+]C1 ZINC000335007728 541419209 /nfs/dbraw/zinc/41/92/09/541419209.db2.gz IQOXLROMUQNURM-UONOGXRCSA-N 2 3 237.391 1.062 20 0 BDADHP [NH3+]CC[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000442928011 193005711 /nfs/dbraw/zinc/00/57/11/193005711.db2.gz PAWYIXSTWLJVJQ-OLZOCXBDSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000442928011 193005713 /nfs/dbraw/zinc/00/57/13/193005713.db2.gz PAWYIXSTWLJVJQ-OLZOCXBDSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000442928011 193005716 /nfs/dbraw/zinc/00/57/16/193005716.db2.gz PAWYIXSTWLJVJQ-OLZOCXBDSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+][C@]12CCC[C@@H]1CN(CCC1CC[NH2+]CC1)C2 ZINC000621781413 370530432 /nfs/dbraw/zinc/53/04/32/370530432.db2.gz DQOVXESFPVHOOA-KGLIPLIRSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H](NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000647547049 384736987 /nfs/dbraw/zinc/73/69/87/384736987.db2.gz LXTGMCMRJUYYLJ-RWMBFGLXSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1C[NH2+]C[C@@H](NCCC[C@H]2CCC[NH2+]2)C1 ZINC000647547050 384737794 /nfs/dbraw/zinc/73/77/94/384737794.db2.gz LXTGMCMRJUYYLJ-XQQFMLRXSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647552141 384756396 /nfs/dbraw/zinc/75/63/96/384756396.db2.gz HSDGJLKUXYTGKC-PJSNJIKXSA-N 2 3 225.380 1.090 20 0 BDADHP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1N ZINC000647498838 385421438 /nfs/dbraw/zinc/42/14/38/385421438.db2.gz RVFXADAVONOKLM-QWHCGFSZSA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1N ZINC000647498838 385421441 /nfs/dbraw/zinc/42/14/41/385421441.db2.gz RVFXADAVONOKLM-QWHCGFSZSA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@H]1CN(CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647498838 385421444 /nfs/dbraw/zinc/42/14/44/385421444.db2.gz RVFXADAVONOKLM-QWHCGFSZSA-N 2 3 225.380 1.045 20 0 BDADHP CN(CCCC1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000647982612 385937851 /nfs/dbraw/zinc/93/78/51/385937851.db2.gz DMGKUZXZSNLPFL-UHFFFAOYSA-N 2 3 225.380 1.188 20 0 BDADHP C[N@H+](CCCC1CC[NH2+]CC1)C1CC(N)C1 ZINC000647982612 385937855 /nfs/dbraw/zinc/93/78/55/385937855.db2.gz DMGKUZXZSNLPFL-UHFFFAOYSA-N 2 3 225.380 1.188 20 0 BDADHP C[N@@H+](CCCC1CC[NH2+]CC1)C1CC(N)C1 ZINC000647982612 385937857 /nfs/dbraw/zinc/93/78/57/385937857.db2.gz DMGKUZXZSNLPFL-UHFFFAOYSA-N 2 3 225.380 1.188 20 0 BDADHP CC1([NH3+])CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000647924971 385964695 /nfs/dbraw/zinc/96/46/95/385964695.db2.gz ZKXGSMMOZAARMB-LBPRGKRZSA-N 2 3 225.380 1.189 20 0 BDADHP CC[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647934663 386482885 /nfs/dbraw/zinc/48/28/85/386482885.db2.gz LZONIMLFNQQUPU-MGPQQGTHSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1N ZINC000647934663 386482890 /nfs/dbraw/zinc/48/28/90/386482890.db2.gz LZONIMLFNQQUPU-MGPQQGTHSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1N ZINC000647934663 386482895 /nfs/dbraw/zinc/48/28/95/386482895.db2.gz LZONIMLFNQQUPU-MGPQQGTHSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C)[C@@H](CN)C2)CC[NH2+]1 ZINC000415126029 386627147 /nfs/dbraw/zinc/62/71/47/386627147.db2.gz LWDNJXXLLUKTKI-SYQHCUMBSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)[C@@H](CN)C2)CC[NH2+]1 ZINC000415126029 386627155 /nfs/dbraw/zinc/62/71/55/386627155.db2.gz LWDNJXXLLUKTKI-SYQHCUMBSA-N 2 3 239.407 1.291 20 0 BDADHP CC1(C)CCC[NH2+][C@H]1CNCC1CC[NH2+]CC1 ZINC000414937919 386856134 /nfs/dbraw/zinc/85/61/34/386856134.db2.gz XUPYTNRFJIXPHU-ZDUSSCGKSA-N 2 3 239.407 1.354 20 0 BDADHP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCNCC1 ZINC000359224165 387068945 /nfs/dbraw/zinc/06/89/45/387068945.db2.gz RJGFAPJRCWNZKX-CQSZACIVSA-N 2 3 239.407 1.450 20 0 BDADHP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCNCC1 ZINC000359224165 387068949 /nfs/dbraw/zinc/06/89/49/387068949.db2.gz RJGFAPJRCWNZKX-CQSZACIVSA-N 2 3 239.407 1.450 20 0 BDADHP C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000333883485 387070621 /nfs/dbraw/zinc/07/06/21/387070621.db2.gz WRMJQEVCFCZWLT-LOWDOPEQSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@H]1CN(C)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423372523 387227285 /nfs/dbraw/zinc/22/72/85/387227285.db2.gz VXHSQNACFROTJP-YNEHKIRRSA-N 2 3 225.380 1.058 20 0 BDADHP CC[C@H](N[C@H](C)CCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423430521 387264877 /nfs/dbraw/zinc/26/48/77/387264877.db2.gz KZASDHNGOMUQMS-AGIUHOORSA-N 2 3 227.396 1.624 20 0 BDADHP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H]1CCCN1 ZINC000423430521 387264881 /nfs/dbraw/zinc/26/48/81/387264881.db2.gz KZASDHNGOMUQMS-AGIUHOORSA-N 2 3 227.396 1.624 20 0 BDADHP C[C@H](CCC[NH3+])N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423450042 387299723 /nfs/dbraw/zinc/29/97/23/387299723.db2.gz HCIYYMJDEQVWHE-GRYCIOLGSA-N 2 3 213.369 1.234 20 0 BDADHP C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000423459912 387309442 /nfs/dbraw/zinc/30/94/42/387309442.db2.gz AHSYPFYPJULYFM-DGAVXFQQSA-N 2 3 239.407 1.624 20 0 BDADHP C[C@@H](CCCC[NH3+])NC[C@@H]1CCCC[NH2+]1 ZINC000643502355 387363163 /nfs/dbraw/zinc/36/31/63/387363163.db2.gz DHXJOVUFVZAICR-RYUDHWBXSA-N 2 3 213.369 1.236 20 0 BDADHP C[C@@H](NCCC1=CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423545675 387371233 /nfs/dbraw/zinc/37/12/33/387371233.db2.gz YHEVFNWONYCMSS-OCCSQVGLSA-N 2 3 237.391 1.416 20 0 BDADHP CC(C)NCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643508181 387479561 /nfs/dbraw/zinc/47/95/61/387479561.db2.gz RJUBQUDTPNPKPY-ZDUSSCGKSA-N 2 3 241.423 1.694 20 0 BDADHP C[C@@H]1C[C@H](C)[N@H+](CC2CC[NH2+]CC2)C[C@H]1CN ZINC000422560695 387602754 /nfs/dbraw/zinc/60/27/54/387602754.db2.gz HPJZAZIKPIZKGK-MBNYWOFBSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C[C@H]1CN ZINC000422560695 387602758 /nfs/dbraw/zinc/60/27/58/387602758.db2.gz HPJZAZIKPIZKGK-MBNYWOFBSA-N 2 3 239.407 1.291 20 0 BDADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000643523848 387733470 /nfs/dbraw/zinc/73/34/70/387733470.db2.gz BHRCSWZZHQFMBG-WFASDCNBSA-N 2 3 245.370 1.507 20 0 BDADHP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CC12CC[NH2+]CC2 ZINC000643536423 387867118 /nfs/dbraw/zinc/86/71/18/387867118.db2.gz QSBOSGMPWDYXEK-JHJVBQTASA-N 2 3 237.391 1.378 20 0 BDADHP C(CC[NH2+]C1CCNCC1)CC[NH+]1CCCC1 ZINC000423140730 387918266 /nfs/dbraw/zinc/91/82/66/387918266.db2.gz ZJGAJNIFFJNPJM-UHFFFAOYSA-N 2 3 239.407 1.594 20 0 BDADHP NC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423267480 388045486 /nfs/dbraw/zinc/04/54/86/388045486.db2.gz FEULCHAPRATLNB-FRRDWIJNSA-N 2 3 225.380 1.093 20 0 BDADHP NC[C@H]1CCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000084216687 135193020 /nfs/dbraw/zinc/19/30/20/135193020.db2.gz CVURJXWSTSIQKH-XVSSEFHLSA-N 2 3 225.380 1.363 20 0 BDADHP C[NH2+]CCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261991603 135269466 /nfs/dbraw/zinc/26/94/66/135269466.db2.gz MGTOKINDAAJDKX-AWEZNQCLSA-N 2 3 239.407 1.308 20 0 BDADHP C[NH2+]CCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000261991603 135269468 /nfs/dbraw/zinc/26/94/68/135269468.db2.gz MGTOKINDAAJDKX-AWEZNQCLSA-N 2 3 239.407 1.308 20 0 BDADHP C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@@H]1CCN ZINC000650712143 410341309 /nfs/dbraw/zinc/34/13/09/410341309.db2.gz SJDCVVJKDZBZGI-GXTWGEPZSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1CCN ZINC000650712143 410341314 /nfs/dbraw/zinc/34/13/14/410341314.db2.gz SJDCVVJKDZBZGI-GXTWGEPZSA-N 2 3 239.407 1.435 20 0 BDADHP [NH3+]CC1(CC[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000650746026 410386009 /nfs/dbraw/zinc/38/60/09/410386009.db2.gz ULMWNQKYFFRZBM-QWHCGFSZSA-N 2 3 237.391 1.332 20 0 BDADHP [NH3+]CC1(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000650746026 410386018 /nfs/dbraw/zinc/38/60/18/410386018.db2.gz ULMWNQKYFFRZBM-QWHCGFSZSA-N 2 3 237.391 1.332 20 0 BDADHP [NH3+]CC1(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000650746026 410386023 /nfs/dbraw/zinc/38/60/23/410386023.db2.gz ULMWNQKYFFRZBM-QWHCGFSZSA-N 2 3 237.391 1.332 20 0 BDADHP C[NH2+]Cc1ccccc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000650755866 410399615 /nfs/dbraw/zinc/39/96/15/410399615.db2.gz OLGUQUPKJINEID-WFASDCNBSA-N 2 3 247.386 1.623 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762163 410412649 /nfs/dbraw/zinc/41/26/49/410412649.db2.gz VQDXMSHBHBAEAO-MNOVXSKESA-N 2 3 213.369 1.092 20 0 BDADHP C[C@@H]1C[C@H](CN2CC[C@H]([NH3+])C[C@@H]2C)CC[NH2+]1 ZINC000653279857 410631914 /nfs/dbraw/zinc/63/19/14/410631914.db2.gz BQQMLXJAAUAUGX-XQHKEYJVSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](N)C[C@@H]2C)CC[NH2+]1 ZINC000653279857 410631921 /nfs/dbraw/zinc/63/19/21/410631921.db2.gz BQQMLXJAAUAUGX-XQHKEYJVSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](N)C[C@@H]2C)CC[NH2+]1 ZINC000653279857 410631927 /nfs/dbraw/zinc/63/19/27/410631927.db2.gz BQQMLXJAAUAUGX-XQHKEYJVSA-N 2 3 225.380 1.186 20 0 BDADHP [NH3+]CCCN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782546 411359420 /nfs/dbraw/zinc/35/94/20/411359420.db2.gz HJMLFPSAEPUYJE-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP NCCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782546 411359422 /nfs/dbraw/zinc/35/94/22/411359422.db2.gz HJMLFPSAEPUYJE-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP NCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782546 411359427 /nfs/dbraw/zinc/35/94/27/411359427.db2.gz HJMLFPSAEPUYJE-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)CNCC2 ZINC000656787466 411365963 /nfs/dbraw/zinc/36/59/63/411365963.db2.gz ZATAMRHOJFKCSO-LBPRGKRZSA-N 2 3 247.386 1.549 20 0 BDADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656786743 411366205 /nfs/dbraw/zinc/36/62/05/411366205.db2.gz QBIWGLHIKHRZSF-NEPJUHHUSA-N 2 3 247.386 1.548 20 0 BDADHP CC(C)C[C@H]([NH3+])CN[C@H]1CC12CC[NH2+]CC2 ZINC000666955346 487917098 /nfs/dbraw/zinc/91/70/98/487917098.db2.gz ATPBXLZAWSASMQ-RYUDHWBXSA-N 2 3 225.380 1.092 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CNCC1(C)C ZINC000902447272 584604881 /nfs/dbraw/zinc/60/48/81/584604881.db2.gz XUOPLVYDYIWIKS-GHMZBOCLSA-N 2 3 213.369 1.092 20 0 BDADHP C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902486953 584625866 /nfs/dbraw/zinc/62/58/66/584625866.db2.gz HYCHZFHYRJIMTJ-NGFQHRJXSA-N 2 3 247.386 1.272 20 0 BDADHP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CN ZINC000903458835 584765951 /nfs/dbraw/zinc/76/59/51/584765951.db2.gz LIJZXANOKKIXBT-LPWJVIDDSA-N 2 3 225.380 1.031 20 0 BDADHP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CN ZINC000903458835 584765953 /nfs/dbraw/zinc/76/59/53/584765953.db2.gz LIJZXANOKKIXBT-LPWJVIDDSA-N 2 3 225.380 1.031 20 0 BDADHP C[C@@H]1CCN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000903458835 584765955 /nfs/dbraw/zinc/76/59/55/584765955.db2.gz LIJZXANOKKIXBT-LPWJVIDDSA-N 2 3 225.380 1.031 20 0 BDADHP CC1(C)CNCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454886 584773315 /nfs/dbraw/zinc/77/33/15/584773315.db2.gz MJYIYUPWAHAABD-GRYCIOLGSA-N 2 3 225.380 1.092 20 0 BDADHP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCNC12CCC2 ZINC000903470278 584774666 /nfs/dbraw/zinc/77/46/66/584774666.db2.gz JODDAMCSWDAFAW-ZDUSSCGKSA-N 2 3 237.391 1.250 20 0 BDADHP N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000903843354 584807787 /nfs/dbraw/zinc/80/77/87/584807787.db2.gz JHKZCCAJYBOERI-FQUUOJAGSA-N 2 3 237.391 1.188 20 0 BDADHP N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000903843354 584807789 /nfs/dbraw/zinc/80/77/89/584807789.db2.gz JHKZCCAJYBOERI-FQUUOJAGSA-N 2 3 237.391 1.188 20 0 BDADHP C[C@H](N)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872732 584815346 /nfs/dbraw/zinc/81/53/46/584815346.db2.gz AYNBZVPKVQCFFW-KZWUZSNJSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@H](N)[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872732 584815348 /nfs/dbraw/zinc/81/53/48/584815348.db2.gz AYNBZVPKVQCFFW-KZWUZSNJSA-N 2 3 237.391 1.186 20 0 BDADHP CCC1([NH3+])CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000903947997 584830005 /nfs/dbraw/zinc/83/00/05/584830005.db2.gz KKLZWIDHQXNOQL-OLZOCXBDSA-N 2 3 239.407 1.578 20 0 BDADHP CC1([NH+]2CCCC2)CCC([NH2+]CCCN)CC1 ZINC000903986968 584835631 /nfs/dbraw/zinc/83/56/31/584835631.db2.gz VLCLDTYXOMGNOF-UHFFFAOYSA-N 2 3 239.407 1.722 20 0 BDADHP C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904299705 584860510 /nfs/dbraw/zinc/86/05/10/584860510.db2.gz MDDHFADAUOGDAY-DOMZBBRYSA-N 2 3 247.386 1.705 20 0 BDADHP C[C@]1(CN2CCC[C@@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904334434 584866894 /nfs/dbraw/zinc/86/68/94/584866894.db2.gz WBDWGZHTTCGEIF-KBPBESRZSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@]1(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CCCNC1 ZINC000904334434 584866895 /nfs/dbraw/zinc/86/68/95/584866895.db2.gz WBDWGZHTTCGEIF-KBPBESRZSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@]1(C[N@H+]2CCC[C@@H](CC[NH3+])C2)CCCNC1 ZINC000904334434 584866896 /nfs/dbraw/zinc/86/68/96/584866896.db2.gz WBDWGZHTTCGEIF-KBPBESRZSA-N 2 3 239.407 1.437 20 0 BDADHP NCCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1CCCC1 ZINC000904351470 584869587 /nfs/dbraw/zinc/86/95/87/584869587.db2.gz ZEZZSMYFHIHKCE-OKILXGFUSA-N 2 3 239.407 1.565 20 0 BDADHP NCCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1CCCC1 ZINC000904351470 584869588 /nfs/dbraw/zinc/86/95/88/584869588.db2.gz ZEZZSMYFHIHKCE-OKILXGFUSA-N 2 3 239.407 1.565 20 0 BDADHP C[NH+]1CCC2(CCCN(CCC[NH3+])C2)CC1 ZINC000841022878 587935760 /nfs/dbraw/zinc/93/57/60/587935760.db2.gz RRKGNTUVCMWKKO-UHFFFAOYSA-N 2 3 225.380 1.143 20 0 BDADHP C[NH+]1CCC2(CCC[N@H+](CCCN)C2)CC1 ZINC000841022878 587935762 /nfs/dbraw/zinc/93/57/62/587935762.db2.gz RRKGNTUVCMWKKO-UHFFFAOYSA-N 2 3 225.380 1.143 20 0 BDADHP C[NH+]1CCC2(CCC[N@@H+](CCCN)C2)CC1 ZINC000841022878 587935764 /nfs/dbraw/zinc/93/57/64/587935764.db2.gz RRKGNTUVCMWKKO-UHFFFAOYSA-N 2 3 225.380 1.143 20 0 BDADHP CC(C)C[C@H](N)C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841033137 587936861 /nfs/dbraw/zinc/93/68/61/587936861.db2.gz LOPNZNSNYONFAD-HNNXBMFYSA-N 2 3 249.402 1.651 20 0 BDADHP C[C@@]1(CNCCCCCC[NH3+])CC[NH2+]C1 ZINC000843127622 588082208 /nfs/dbraw/zinc/08/22/08/588082208.db2.gz FGIADZULKIRDPV-LBPRGKRZSA-N 2 3 213.369 1.095 20 0 BDADHP [NH3+]CCCCCC[NH2+][C@H]1CCCNCC1 ZINC000843128129 588084889 /nfs/dbraw/zinc/08/48/89/588084889.db2.gz IAHOGLQUWYYHQN-LBPRGKRZSA-N 2 3 213.369 1.237 20 0 BDADHP C[C@H]1C[C@@H]([NH3+])CCN1CCCCCCC[NH3+] ZINC000846706953 588283776 /nfs/dbraw/zinc/28/37/76/588283776.db2.gz BPGKIPRMXVCUQM-STQMWFEESA-N 2 3 227.396 1.707 20 0 BDADHP C[C@H]1C[C@@H](N)CC[N@@H+]1CCCCCCC[NH3+] ZINC000846706953 588283777 /nfs/dbraw/zinc/28/37/77/588283777.db2.gz BPGKIPRMXVCUQM-STQMWFEESA-N 2 3 227.396 1.707 20 0 BDADHP C[C@H]1C[C@@H](N)CC[N@H+]1CCCCCCC[NH3+] ZINC000846706953 588283778 /nfs/dbraw/zinc/28/37/78/588283778.db2.gz BPGKIPRMXVCUQM-STQMWFEESA-N 2 3 227.396 1.707 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272083 590016173 /nfs/dbraw/zinc/01/61/73/590016173.db2.gz PLSVNLACQWFQCI-DCAQKATOSA-N 2 3 213.369 1.090 20 0 BDADHP CN(CCCCCC[NH3+])C[C@@]1(C)CC[NH2+]C1 ZINC000873231505 590002662 /nfs/dbraw/zinc/00/26/62/590002662.db2.gz LEUMRIDIRIQWBB-ZDUSSCGKSA-N 2 3 227.396 1.437 20 0 BDADHP NCCC[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232359 590002880 /nfs/dbraw/zinc/00/28/80/590002880.db2.gz XKXGCICUYXREDT-LBPRGKRZSA-N 2 3 225.380 1.237 20 0 BDADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250300 590007772 /nfs/dbraw/zinc/00/77/72/590007772.db2.gz OWJYJVBLFQCJDR-JLLWLGSASA-N 2 3 248.374 1.237 20 0 BDADHP [NH3+][C@H]1C[C@@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000873249865 590007830 /nfs/dbraw/zinc/00/78/30/590007830.db2.gz NEVDETIFTZAXLQ-RDBQEKCUSA-N 2 3 231.343 1.458 20 0 BDADHP C[C@H](N[C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000873271456 590016114 /nfs/dbraw/zinc/01/61/14/590016114.db2.gz IFYDKCZDRMXBAK-GVXVVHGQSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCCN1 ZINC000873271456 590016117 /nfs/dbraw/zinc/01/61/17/590016117.db2.gz IFYDKCZDRMXBAK-GVXVVHGQSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@H](N[C@@H](C)[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873272825 590017057 /nfs/dbraw/zinc/01/70/57/590017057.db2.gz WSBIRQRPRJLIOZ-SGMGOOAPSA-N 2 3 239.407 1.495 20 0 BDADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000925727180 634524559 /nfs/dbraw/zinc/52/45/59/634524559.db2.gz NEXJEFOPYPHRQE-FHUSYTEZSA-N 2 3 237.391 1.090 20 0 BDADHP CC1(C[NH2+][C@H]2CCNC23CCC3)CC[NH2+]CC1 ZINC000925699372 634366387 /nfs/dbraw/zinc/36/63/87/634366387.db2.gz OIEUXDWUDCEXAI-LBPRGKRZSA-N 2 3 237.391 1.250 20 0 BDADHP CCN1CC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000054242796 636240338 /nfs/dbraw/zinc/24/03/38/636240338.db2.gz CYEHGKGZCKPKMN-AWEZNQCLSA-N 2 3 239.407 1.260 20 0 BDADHP CC1(C)CNC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904460889 637420690 /nfs/dbraw/zinc/42/06/90/637420690.db2.gz BHDNKUMXWYLZHY-WVMKXHBISA-N 2 3 237.391 1.105 20 0 BDADHP CC(C)[C@H](CN)C[NH2+]C1CCC([NH3+])CC1 ZINC000230943677 641383160 /nfs/dbraw/zinc/38/31/60/641383160.db2.gz LEMZZGFMCDNVSA-VOMCLLRMSA-N 2 3 213.369 1.077 20 0 BDADHP C[C@H]1CN(CCC[NH2+]C2CC2)CC[C@H]1C[NH3+] ZINC000923494526 644470522 /nfs/dbraw/zinc/47/05/22/644470522.db2.gz YLXVZBFQQZDRSK-RYUDHWBXSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[N@H+](CCCNC2CC2)CC[C@H]1C[NH3+] ZINC000923494526 644470525 /nfs/dbraw/zinc/47/05/25/644470525.db2.gz YLXVZBFQQZDRSK-RYUDHWBXSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[N@@H+](CCCNC2CC2)CC[C@H]1C[NH3+] ZINC000923494526 644470537 /nfs/dbraw/zinc/47/05/37/644470537.db2.gz YLXVZBFQQZDRSK-RYUDHWBXSA-N 2 3 225.380 1.045 20 0 BDADHP [NH3+]CCCN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505818 644476280 /nfs/dbraw/zinc/47/62/80/644476280.db2.gz CQDLVAFAFSERAJ-CYBMUJFWSA-N 2 3 239.407 1.437 20 0 BDADHP C(C[NH2+][C@H]1CCNC12CCC2)C[C@@H]1CCC[NH2+]1 ZINC000925710724 646434506 /nfs/dbraw/zinc/43/45/06/646434506.db2.gz QRBNPCFDQLESOH-STQMWFEESA-N 2 3 237.391 1.393 20 0 BDADHP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)C1CNC1 ZINC000715561394 712528956 /nfs/dbraw/zinc/52/89/56/712528956.db2.gz JXVMRWTUTWVYHL-XGNXJENSSA-N 2 3 239.407 1.447 20 0 BDADHP [NH3+]CCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC001332879386 975303684 /nfs/dbraw/zinc/30/36/84/975303684.db2.gz QLENHXCTNFZNKS-ZIAGYGMSSA-N 2 3 239.407 1.483 20 0 BDADHP N[C@@H](CCC[NH3+])Nc1cccc2c1CC[C@H]2[NH3+] ZINC001170904323 972077876 /nfs/dbraw/zinc/07/78/76/972077876.db2.gz OCDFZKKZCQDHAG-DGCLKSJQSA-N 2 3 234.347 1.068 20 0 BDADHP [NH3+]C12CC(CCN3CCC[C@]34CCC[NH2+]C4)(C1)C2 ZINC001222230868 972411626 /nfs/dbraw/zinc/41/16/26/972411626.db2.gz FRGWTSOMMNEZJL-NRXISQOPSA-N 2 3 249.402 1.476 20 0 BDADHP [NH3+]C12CC(CC[N@@H+]3CCC[C@]34CCCNC4)(C1)C2 ZINC001222230868 972411631 /nfs/dbraw/zinc/41/16/31/972411631.db2.gz FRGWTSOMMNEZJL-NRXISQOPSA-N 2 3 249.402 1.476 20 0 BDADHP [NH3+]C12CC(CC[N@H+]3CCC[C@]34CCCNC4)(C1)C2 ZINC001222230868 972411638 /nfs/dbraw/zinc/41/16/38/972411638.db2.gz FRGWTSOMMNEZJL-NRXISQOPSA-N 2 3 249.402 1.476 20 0 BDADHP [NH3+]C12CC(C[N@@H+]3CCC[C@@]34CCCNC4)(C1)C2 ZINC001222231134 972413246 /nfs/dbraw/zinc/41/32/46/972413246.db2.gz JPVHNDUHMKXIKO-JXQTWKCFSA-N 2 3 235.375 1.086 20 0 BDADHP [NH3+]C12CC(C[N@H+]3CCC[C@@]34CCCNC4)(C1)C2 ZINC001222231134 972413252 /nfs/dbraw/zinc/41/32/52/972413252.db2.gz JPVHNDUHMKXIKO-JXQTWKCFSA-N 2 3 235.375 1.086 20 0 BDADHP C[NH+](C)C1CCC(N2CCC(C)([NH3+])CC2)CC1 ZINC000715229522 965985075 /nfs/dbraw/zinc/98/50/75/965985075.db2.gz SQQIMTYPQZQEKW-UHFFFAOYSA-N 2 3 239.407 1.672 20 0 BDADHP [NH3+][C@@H]1CCCN(CCC2CC[NH2+]CC2)CC1 ZINC001205089070 967341254 /nfs/dbraw/zinc/34/12/54/967341254.db2.gz XBIFJCFERLACKK-CYBMUJFWSA-N 2 3 225.380 1.189 20 0 BDADHP NC[C@H]1CCCC[N@H+](CCCCCC[NH3+])C1 ZINC001206606410 968416472 /nfs/dbraw/zinc/41/64/72/968416472.db2.gz NBWGZIMDNFKBRJ-CYBMUJFWSA-N 2 3 227.396 1.566 20 0 BDADHP NC[C@H]1CCCC[N@@H+](CCCCCC[NH3+])C1 ZINC001206606410 968416476 /nfs/dbraw/zinc/41/64/76/968416476.db2.gz NBWGZIMDNFKBRJ-CYBMUJFWSA-N 2 3 227.396 1.566 20 0 BDADHP C[N@@H+]1CCC[C@H](CN2CCC(F)(C[NH3+])CC2)C1 ZINC001222528594 972550109 /nfs/dbraw/zinc/55/01/09/972550109.db2.gz XRSLGYYVXXYWBM-LBPRGKRZSA-N 2 3 243.370 1.091 20 0 BDADHP C[N@H+]1CCC[C@H](CN2CCC(F)(C[NH3+])CC2)C1 ZINC001222528594 972550117 /nfs/dbraw/zinc/55/01/17/972550117.db2.gz XRSLGYYVXXYWBM-LBPRGKRZSA-N 2 3 243.370 1.091 20 0 BDADHP N[C@@H]1CCC[N@@H+](C2CCC3(C[NH2+]C3)CC2)CC1 ZINC001246548091 972682384 /nfs/dbraw/zinc/68/23/84/972682384.db2.gz QPGUQTIHCMLDCA-GFCCVEGCSA-N 2 3 237.391 1.332 20 0 BDADHP N[C@@H]1CCC[N@H+](C2CCC3(C[NH2+]C3)CC2)CC1 ZINC001246548091 972682387 /nfs/dbraw/zinc/68/23/87/972682387.db2.gz QPGUQTIHCMLDCA-GFCCVEGCSA-N 2 3 237.391 1.332 20 0 BDADHP C1C[C@@H]2[C@H](CCN2[C@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]1 ZINC001246634990 973048284 /nfs/dbraw/zinc/04/82/84/973048284.db2.gz PNAYXLPNNQXTLN-MELADBBJSA-N 2 3 249.402 1.345 20 0 BDADHP [NH3+][C@@]12CCC[C@@H]1CN(CC[C@H]1CCC[NH2+]C1)C2 ZINC001235241026 979003271 /nfs/dbraw/zinc/00/32/71/979003271.db2.gz PNJUQRKJEWUDRJ-MGPQQGTHSA-N 2 3 237.391 1.189 20 0 BDADHP CNCCC[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551694 979635143 /nfs/dbraw/zinc/63/51/43/979635143.db2.gz KYCMACOKWIDNBL-HDJSIYSDSA-N 2 3 239.407 1.578 20 0 BDADHP CNCCC[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551694 979635146 /nfs/dbraw/zinc/63/51/46/979635146.db2.gz KYCMACOKWIDNBL-HDJSIYSDSA-N 2 3 239.407 1.578 20 0 BDADHP [NH3+]CCCC[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584513 979665716 /nfs/dbraw/zinc/66/57/16/979665716.db2.gz GCWMSLNJXKXQBB-LBPRGKRZSA-N 2 3 225.380 1.189 20 0 BDADHP [NH3+]CCCC[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584513 979665723 /nfs/dbraw/zinc/66/57/23/979665723.db2.gz GCWMSLNJXKXQBB-LBPRGKRZSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@]1([NH3+])CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001205257206 979755799 /nfs/dbraw/zinc/75/57/99/979755799.db2.gz UAXJDMVAHBAVBM-UONOGXRCSA-N 2 3 239.407 1.579 20 0 BDADHP CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H](C[NH3+])C3)[C@@H]2C1 ZINC001578520784 985142589 /nfs/dbraw/zinc/14/25/89/985142589.db2.gz GNJWRIOZZTVYHJ-ITGHMWBKSA-N 2 3 237.391 1.044 20 0 BDADHP C[C@@]1(C[NH2+]C2CCNCC2)CCC[NH2+]CC1 ZINC001246091999 987398452 /nfs/dbraw/zinc/39/84/52/987398452.db2.gz BUJSMRSDJDEPNU-CYBMUJFWSA-N 2 3 225.380 1.108 20 0 BDADHP C(C[NH2+]C1CCNCC1)CC1CC[NH2+]CC1 ZINC001246101806 987424453 /nfs/dbraw/zinc/42/44/53/987424453.db2.gz BDMKBRAQTXFWKI-UHFFFAOYSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@H]1CC[C@H](NCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105428 987433698 /nfs/dbraw/zinc/43/36/98/987433698.db2.gz MMJQFBFHVIJOCJ-JSGCOSHPSA-N 2 3 239.407 1.496 20 0 BDADHP C[NH2+]C1CCC(NC[C@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246107426 987437763 /nfs/dbraw/zinc/43/77/63/987437763.db2.gz GTJZIVFDLIOTOP-GFJIZPEISA-N 2 3 239.407 1.495 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]CCCC2CC[NH2+]CC2)CCN1 ZINC001246106303 987438723 /nfs/dbraw/zinc/43/87/23/987438723.db2.gz PKEOJITZFBLBBC-JSGCOSHPSA-N 2 3 239.407 1.496 20 0 BDADHP C1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CC[NH2+]CC2 ZINC001246139894 987497269 /nfs/dbraw/zinc/49/72/69/987497269.db2.gz XMXWLVZIVQCIIF-HNGCFSAESA-N 2 3 235.375 1.001 20 0 BDADHP CC[NH+](CC)CCCCN[C@H]1CCC[NH2+]C1 ZINC001246160985 987520696 /nfs/dbraw/zinc/52/06/96/987520696.db2.gz IDBBJMDRNUYIMU-ZDUSSCGKSA-N 2 3 227.396 1.450 20 0 BDADHP C[C@@H]1CC[C@H](NCCCCC[NH+](C)C)C[NH2+]1 ZINC001246174811 987542059 /nfs/dbraw/zinc/54/20/59/987542059.db2.gz XFHVDXSBHKUTDI-OLZOCXBDSA-N 2 3 227.396 1.448 20 0 BDADHP C[C@@H]1CC[C@@H](NC[C@H]2CC23CC[NH2+]CC3)C[NH2+]1 ZINC001246184487 987559271 /nfs/dbraw/zinc/55/92/71/987559271.db2.gz SKZLXBOEAFBPBA-JHJVBQTASA-N 2 3 237.391 1.106 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CCN1 ZINC001246202088 987600707 /nfs/dbraw/zinc/60/07/07/987600707.db2.gz MNPKQCOQGUBJDS-YIYPIFLZSA-N 2 3 239.407 1.624 20 0 BDADHP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246208001 987603656 /nfs/dbraw/zinc/60/36/56/987603656.db2.gz ZTXZGTVCQIOMQC-XDQVBPFNSA-N 2 3 239.407 1.482 20 0 BDADHP C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCCC[NH2+]C1 ZINC001246229496 987626778 /nfs/dbraw/zinc/62/67/78/987626778.db2.gz JVVNRDNNHSNANO-STQMWFEESA-N 2 3 225.380 1.108 20 0 BDADHP CCC[NH2+]CCNC1CCC2(CC[NH2+]C2)CC1 ZINC001246269831 987665365 /nfs/dbraw/zinc/66/53/65/987665365.db2.gz LMOIAWNRHQZPCF-UHFFFAOYSA-N 2 3 239.407 1.498 20 0 BDADHP CCC[NH2+]CCN[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246269828 987665660 /nfs/dbraw/zinc/66/56/60/987665660.db2.gz LLJFTNVBBTWYOM-KGLIPLIRSA-N 2 3 239.407 1.498 20 0 BDADHP C[NH+](C)[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1 ZINC001246367003 987772531 /nfs/dbraw/zinc/77/25/31/987772531.db2.gz LMVFOVNDQXIZIF-AULYBMBSSA-N 2 3 225.380 1.201 20 0 BDADHP CC(C)[NH2+]CCN[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246455546 987812240 /nfs/dbraw/zinc/81/22/40/987812240.db2.gz XOWHAMHGNHADCE-KBPBESRZSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@]1(N)C[C@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246458500 987815341 /nfs/dbraw/zinc/81/53/41/987815341.db2.gz GXWTWSNLTWHYDZ-RWMBFGLXSA-N 2 3 237.391 1.378 20 0 BDADHP CN[C@H]1C[C@@H]([NH2+]C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246489917 987844703 /nfs/dbraw/zinc/84/47/03/987844703.db2.gz BWHICGSHPFRRFT-AKJUYKBHSA-N 2 3 237.391 1.249 20 0 BDADHP CC[C@@H]1C[C@H](N2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246537812 987896941 /nfs/dbraw/zinc/89/69/41/987896941.db2.gz LXLFFNMBOODNMC-CHWSQXEVSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1C[NH3+] ZINC001246540529 987903181 /nfs/dbraw/zinc/90/31/81/987903181.db2.gz JTQYIAWLINPYRS-VJTDZRGJSA-N 2 3 237.391 1.138 20 0 BDADHP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1C[NH3+] ZINC001246540529 987903190 /nfs/dbraw/zinc/90/31/90/987903190.db2.gz JTQYIAWLINPYRS-VJTDZRGJSA-N 2 3 237.391 1.138 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246564972 988021576 /nfs/dbraw/zinc/02/15/76/988021576.db2.gz ZDMFORNRHUWJSW-AAVRWANBSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246564972 988021584 /nfs/dbraw/zinc/02/15/84/988021584.db2.gz ZDMFORNRHUWJSW-AAVRWANBSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[N@@H+](C2CCNCC2)CCC[C@H]1C[NH3+] ZINC001246570761 988051370 /nfs/dbraw/zinc/05/13/70/988051370.db2.gz VJOFQHFFTRSHNG-NEPJUHHUSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@H+](C2CCNCC2)CCC[C@H]1C[NH3+] ZINC001246570761 988051391 /nfs/dbraw/zinc/05/13/91/988051391.db2.gz VJOFQHFFTRSHNG-NEPJUHHUSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246573801 988074108 /nfs/dbraw/zinc/07/41/08/988074108.db2.gz ZDMFORNRHUWJSW-ZOBORPQBSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246573801 988074125 /nfs/dbraw/zinc/07/41/25/988074125.db2.gz ZDMFORNRHUWJSW-ZOBORPQBSA-N 2 3 239.407 1.434 20 0 BDADHP NC[C@H]1CCCC[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593435 988174503 /nfs/dbraw/zinc/17/45/03/988174503.db2.gz NDVQYXUNTBPJQT-CHWSQXEVSA-N 2 3 237.391 1.189 20 0 BDADHP NC[C@H]1CCCC[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593435 988174512 /nfs/dbraw/zinc/17/45/12/988174512.db2.gz NDVQYXUNTBPJQT-CHWSQXEVSA-N 2 3 237.391 1.189 20 0 BDADHP C1C[C@H]2CN([C@@H]3CCC4(C3)CC[NH2+]CC4)C[C@H]2[NH2+]1 ZINC001246655299 988384970 /nfs/dbraw/zinc/38/49/70/988384970.db2.gz YWVZJXLOVQZMMP-BFHYXJOUSA-N 2 3 249.402 1.202 20 0 BDADHP C[NH2+]C1CCC([N@H+](C)[C@H]2CCN[C@H](C)C2)CC1 ZINC001246917566 988717852 /nfs/dbraw/zinc/71/78/52/988717852.db2.gz KCHVGHPJXLJOJN-RYSNWHEDSA-N 2 3 239.407 1.589 20 0 BDADHP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCN[C@H](C)C2)CC1 ZINC001246917566 988717888 /nfs/dbraw/zinc/71/78/88/988717888.db2.gz KCHVGHPJXLJOJN-RYSNWHEDSA-N 2 3 239.407 1.589 20 0 BDADHP CCN(CC)CCC[NH+]1CCC(CC[NH3+])CC1 ZINC000075176469 344767745 /nfs/dbraw/zinc/76/77/45/344767745.db2.gz NYLPRICNCVWBRZ-UHFFFAOYSA-N 2 3 241.423 1.779 20 0 BDADHP CN(CCC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000574519631 344885919 /nfs/dbraw/zinc/88/59/19/344885919.db2.gz USFBLYVATUEGFI-UHFFFAOYSA-N 2 3 225.380 1.060 20 0 BDADHP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000583441416 344966962 /nfs/dbraw/zinc/96/69/62/344966962.db2.gz APSBHRFSQJJWBK-UONOGXRCSA-N 2 3 233.359 1.362 20 0 BDADHP C[C@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003327 345206520 /nfs/dbraw/zinc/20/65/20/345206520.db2.gz CBNMNGQPVRGRQL-XUXIUFHCSA-N 2 3 239.407 1.482 20 0 BDADHP NC[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008117 345215726 /nfs/dbraw/zinc/21/57/26/345215726.db2.gz ZODVFCOJFHUBRP-AAVRWANBSA-N 2 3 239.407 1.611 20 0 BDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000582181901 355646226 /nfs/dbraw/zinc/64/62/26/355646226.db2.gz ZITIHCNNWIYTNO-QWRGUYRKSA-N 2 3 221.348 1.361 20 0 BDADHP CC(C)[C@H]([NH3+])CCN(C)CC[C@@H]1CCC[NH2+]C1 ZINC000420283601 192199268 /nfs/dbraw/zinc/19/92/68/192199268.db2.gz CHMLUMYJPJWNSA-UONOGXRCSA-N 2 3 241.423 1.681 20 0 BDADHP CN(CC[C@@H]1CCC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000420294439 192202496 /nfs/dbraw/zinc/20/24/96/192202496.db2.gz SSMMVGIKKWWZBI-LBPRGKRZSA-N 2 3 227.396 1.293 20 0 BDADHP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCNCC1 ZINC000420313268 192212069 /nfs/dbraw/zinc/21/20/69/192212069.db2.gz PNBQXAYJQWHUSY-KGLIPLIRSA-N 2 3 239.407 1.450 20 0 BDADHP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCNCC1 ZINC000420313268 192212071 /nfs/dbraw/zinc/21/20/71/192212071.db2.gz PNBQXAYJQWHUSY-KGLIPLIRSA-N 2 3 239.407 1.450 20 0 BDADHP C[C@H](NCC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000582295311 357029143 /nfs/dbraw/zinc/02/91/43/357029143.db2.gz WBQVDPGBACOUTH-WCQYABFASA-N 2 3 225.380 1.106 20 0 BDADHP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000582420335 357144149 /nfs/dbraw/zinc/14/41/49/357144149.db2.gz NEYGPTQBGONHEB-IYXRBSQSSA-N 2 3 239.407 1.448 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086403879 358968507 /nfs/dbraw/zinc/96/85/07/358968507.db2.gz FAUSWNJMBSFIQZ-RYUDHWBXSA-N 2 3 213.369 1.188 20 0 BDADHP CC[C@H](NCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000578857789 366659175 /nfs/dbraw/zinc/65/91/75/366659175.db2.gz YYFLOLIMVRCZND-STQMWFEESA-N 2 3 225.380 1.106 20 0 BDADHP CC[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCN1 ZINC000578857789 366659182 /nfs/dbraw/zinc/65/91/82/366659182.db2.gz YYFLOLIMVRCZND-STQMWFEESA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCNC12CCC2 ZINC000629512531 361107226 /nfs/dbraw/zinc/10/72/26/361107226.db2.gz CRHBWPWWLQCXIE-VXGBXAGGSA-N 2 3 225.380 1.378 20 0 BDADHP C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000581132216 367272268 /nfs/dbraw/zinc/27/22/68/367272268.db2.gz DGGZHVPVMOWURG-SWLSCSKDSA-N 2 3 247.386 1.575 20 0 BDADHP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000581132216 367272269 /nfs/dbraw/zinc/27/22/69/367272269.db2.gz DGGZHVPVMOWURG-SWLSCSKDSA-N 2 3 247.386 1.575 20 0 BDADHP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000086403731 368880316 /nfs/dbraw/zinc/88/03/16/368880316.db2.gz MMSLHJUZTVPHSI-STQMWFEESA-N 2 3 225.380 1.188 20 0 BDADHP CC(C)C[C@H](N)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000573120261 384034854 /nfs/dbraw/zinc/03/48/54/384034854.db2.gz KEDDPHOBWOIXRX-AWEZNQCLSA-N 2 3 235.375 1.608 20 0 BDADHP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CCCNCC3)CC[C@@H]12 ZINC000647547076 384737531 /nfs/dbraw/zinc/73/75/31/384737531.db2.gz MPQZVKWPMLBTQB-REWJHTLYSA-N 2 3 237.391 1.106 20 0 BDADHP C([NH2+][C@H]1CCNC2(CCC2)C1)C1CC[NH2+]CC1 ZINC000647548127 384750007 /nfs/dbraw/zinc/75/00/07/384750007.db2.gz WBSAWYOCKVBKEG-ZDUSSCGKSA-N 2 3 237.391 1.250 20 0 BDADHP C([NH2+][C@H]1CCNC12CCCC2)C1CC[NH2+]CC1 ZINC000647554317 384772315 /nfs/dbraw/zinc/77/23/15/384772315.db2.gz WQOXGIABQMDDOL-ZDUSSCGKSA-N 2 3 237.391 1.250 20 0 BDADHP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC000342098411 385926361 /nfs/dbraw/zinc/92/63/61/385926361.db2.gz IHDKJKQWHYEEPL-REWJHTLYSA-N 2 3 237.391 1.045 20 0 BDADHP N[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647814502 385868249 /nfs/dbraw/zinc/86/82/49/385868249.db2.gz QVKJFKOUHOARHJ-ZDUSSCGKSA-N 2 3 225.380 1.189 20 0 BDADHP N[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647814502 385868255 /nfs/dbraw/zinc/86/82/55/385868255.db2.gz QVKJFKOUHOARHJ-ZDUSSCGKSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@]1(CNCCC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000414970616 385964207 /nfs/dbraw/zinc/96/42/07/385964207.db2.gz VLWPJFDSSYEPGW-OLZOCXBDSA-N 2 3 225.380 1.108 20 0 BDADHP C[NH2+]C1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000335449158 386516772 /nfs/dbraw/zinc/51/67/72/386516772.db2.gz WGSGRRVMQVVJJB-NWDGAFQWSA-N 2 3 225.380 1.058 20 0 BDADHP CNC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000335449158 386516778 /nfs/dbraw/zinc/51/67/78/386516778.db2.gz WGSGRRVMQVVJJB-NWDGAFQWSA-N 2 3 225.380 1.058 20 0 BDADHP C[NH2+]C1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000335449160 386517778 /nfs/dbraw/zinc/51/77/78/386517778.db2.gz WGSGRRVMQVVJJB-VXGBXAGGSA-N 2 3 225.380 1.058 20 0 BDADHP CNC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000335449160 386517781 /nfs/dbraw/zinc/51/77/81/386517781.db2.gz WGSGRRVMQVVJJB-VXGBXAGGSA-N 2 3 225.380 1.058 20 0 BDADHP C[NH2+]CCCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977611 386577551 /nfs/dbraw/zinc/57/75/51/386577551.db2.gz FEVXJIIRLGZDJT-UONOGXRCSA-N 2 3 239.407 1.308 20 0 BDADHP CNCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977611 386577556 /nfs/dbraw/zinc/57/75/56/386577556.db2.gz FEVXJIIRLGZDJT-UONOGXRCSA-N 2 3 239.407 1.308 20 0 BDADHP CNCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977611 386577563 /nfs/dbraw/zinc/57/75/63/386577563.db2.gz FEVXJIIRLGZDJT-UONOGXRCSA-N 2 3 239.407 1.308 20 0 BDADHP C[C@]1(C[NH2+]C2CCC([NH3+])CC2)CCCNC1 ZINC000334875844 386937493 /nfs/dbraw/zinc/93/74/93/386937493.db2.gz UXEBWDGZXZKNGD-BPCQOVAHSA-N 2 3 225.380 1.236 20 0 BDADHP CC1(C[NH2+][C@H]2CCC[C@H]2CN)CC[NH2+]CC1 ZINC000423319549 387161331 /nfs/dbraw/zinc/16/13/31/387161331.db2.gz DLLDXHNVMVURSO-RYUDHWBXSA-N 2 3 225.380 1.093 20 0 BDADHP CC1(C[NH2+][C@H]2CCC[C@@H]2CN)CC[NH2+]CC1 ZINC000423319546 387161629 /nfs/dbraw/zinc/16/16/29/387161629.db2.gz DLLDXHNVMVURSO-NEPJUHHUSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@H](CCC[NH3+])N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423461843 387310626 /nfs/dbraw/zinc/31/06/26/387310626.db2.gz TWTHMFNFURVEFS-SWHYSGLUSA-N 2 3 233.359 1.848 20 0 BDADHP NC[C@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423436497 387286595 /nfs/dbraw/zinc/28/65/95/387286595.db2.gz ZZFTXLXZRNVQEB-AAVRWANBSA-N 2 3 239.407 1.469 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423442695 387292082 /nfs/dbraw/zinc/29/20/82/387292082.db2.gz VGMKOHDBJGTKNH-JHJVBQTASA-N 2 3 227.396 1.482 20 0 BDADHP C[C@H](NCCC1=CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423545670 387369993 /nfs/dbraw/zinc/36/99/93/387369993.db2.gz YHEVFNWONYCMSS-GXTWGEPZSA-N 2 3 237.391 1.416 20 0 BDADHP C[C@H](CCCC[NH3+])N[C@@H]1CCCC[NH2+]C1 ZINC000423553596 387372829 /nfs/dbraw/zinc/37/28/29/387372829.db2.gz KMSOSAYYCHGSBP-VXGBXAGGSA-N 2 3 213.369 1.236 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423479293 387327794 /nfs/dbraw/zinc/32/77/94/387327794.db2.gz MBZVQRLMNWPVCH-MCIONIFRSA-N 2 3 239.407 1.496 20 0 BDADHP [NH3+]C1CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000527532656 387599845 /nfs/dbraw/zinc/59/98/45/387599845.db2.gz NKSITTBIIRSRKB-HTAVTVPLSA-N 2 3 223.364 1.131 20 0 BDADHP C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1CN ZINC000422637595 387610639 /nfs/dbraw/zinc/61/06/39/387610639.db2.gz OZXCOXLNWNRUJM-RFGFWPKPSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1CN ZINC000422637595 387610645 /nfs/dbraw/zinc/61/06/45/387610645.db2.gz OZXCOXLNWNRUJM-RFGFWPKPSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@H](C)N(CC[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000422637595 387610651 /nfs/dbraw/zinc/61/06/51/387610651.db2.gz OZXCOXLNWNRUJM-RFGFWPKPSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(C[NH+](C)C)c1 ZINC000422813901 387712312 /nfs/dbraw/zinc/71/23/12/387712312.db2.gz YXEPZSZBNWFPIF-CHWSQXEVSA-N 2 3 249.402 1.964 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000422835445 387728840 /nfs/dbraw/zinc/72/88/40/387728840.db2.gz IYKBCSLNJTUEBV-AGIUHOORSA-N 2 3 227.396 1.576 20 0 BDADHP CCCN1CC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422977707 387788895 /nfs/dbraw/zinc/78/88/95/387788895.db2.gz XJIWVLMPDUTPRE-KBPBESRZSA-N 2 3 241.423 1.825 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423140182 387918618 /nfs/dbraw/zinc/91/86/18/387918618.db2.gz XQJLCJRLNNXFNL-KBPBESRZSA-N 2 3 241.423 1.968 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423161759 387943642 /nfs/dbraw/zinc/94/36/42/387943642.db2.gz JNYMTTYZXZOIHJ-NEPJUHHUSA-N 2 3 227.396 1.576 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423161759 387943643 /nfs/dbraw/zinc/94/36/43/387943643.db2.gz JNYMTTYZXZOIHJ-NEPJUHHUSA-N 2 3 227.396 1.576 20 0 BDADHP C[C@H]1C[C@@H]([NH3+])CCN1CCC1CC[NH2+]CC1 ZINC000516580276 388356345 /nfs/dbraw/zinc/35/63/45/388356345.db2.gz FNOBWWPJRWKRQF-AAEUAGOBSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@H]1C[C@@H](N)CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000516580276 388356351 /nfs/dbraw/zinc/35/63/51/388356351.db2.gz FNOBWWPJRWKRQF-AAEUAGOBSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@H]1C[C@@H](N)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000516580276 388356354 /nfs/dbraw/zinc/35/63/54/388356354.db2.gz FNOBWWPJRWKRQF-AAEUAGOBSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)CN1CCCC1 ZINC000336712616 388465999 /nfs/dbraw/zinc/46/59/99/388465999.db2.gz OBWBZMLBWMSODG-UONOGXRCSA-N 2 3 241.423 1.825 20 0 BDADHP N[C@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000520837671 388537332 /nfs/dbraw/zinc/53/73/32/388537332.db2.gz DBIOITSCESYYQA-XDQVBPFNSA-N 2 3 239.407 1.611 20 0 BDADHP [NH3+][C@@H]1C[C@H](NCC2CC[NH2+]CC2)c2ccccc21 ZINC000516921187 388525030 /nfs/dbraw/zinc/52/50/30/388525030.db2.gz JHULSIHMJJOJQI-CABCVRRESA-N 2 3 245.370 1.720 20 0 BDADHP CCN(CC)CCC[NH2+]CC1CC[NH2+]CC1 ZINC000086700212 135094992 /nfs/dbraw/zinc/09/49/92/135094992.db2.gz NIFDJKVQRRACSB-UHFFFAOYSA-N 2 3 227.396 1.308 20 0 BDADHP [NH3+]CCCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000079235748 135295470 /nfs/dbraw/zinc/29/54/70/135295470.db2.gz MFUKYKDHABELAJ-QWHCGFSZSA-N 2 3 219.332 1.460 20 0 BDADHP C[C@@H](N)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000334277253 135333333 /nfs/dbraw/zinc/33/33/33/135333333.db2.gz SQSCNCVZYFUSFP-DGCLKSJQSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H](N)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000334277253 135333334 /nfs/dbraw/zinc/33/33/34/135333334.db2.gz SQSCNCVZYFUSFP-DGCLKSJQSA-N 2 3 225.380 1.045 20 0 BDADHP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335400319 136094403 /nfs/dbraw/zinc/09/44/03/136094403.db2.gz CTXDQASMABGALJ-AWEZNQCLSA-N 2 3 237.391 1.062 20 0 BDADHP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335400319 136094404 /nfs/dbraw/zinc/09/44/04/136094404.db2.gz CTXDQASMABGALJ-AWEZNQCLSA-N 2 3 237.391 1.062 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000334848771 487574146 /nfs/dbraw/zinc/57/41/46/487574146.db2.gz SFOYYGKWOBLZQC-KPFVRQRISA-N 2 3 225.380 1.363 20 0 BDADHP CC(C)C[C@H](N)C[NH+]1CCC(CC[NH3+])CC1 ZINC000650722285 410361307 /nfs/dbraw/zinc/36/13/07/410361307.db2.gz ORIRZBCIDIIMKP-ZDUSSCGKSA-N 2 3 227.396 1.421 20 0 BDADHP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000650755864 410398647 /nfs/dbraw/zinc/39/86/47/410398647.db2.gz OLGUQUPKJINEID-IUODEOHRSA-N 2 3 247.386 1.623 20 0 BDADHP C[C@H](NCCC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000650762011 410410694 /nfs/dbraw/zinc/41/06/94/410410694.db2.gz QBHNGWLGQXIFGS-JSGCOSHPSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H]1C[C@@H]([NH3+])CCN1CCCC1CC[NH2+]CC1 ZINC000653299344 410816851 /nfs/dbraw/zinc/81/68/51/410816851.db2.gz PSAKQDUBHNWCGT-OCCSQVGLSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@H]1CCNCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656201179 411206303 /nfs/dbraw/zinc/20/63/03/411206303.db2.gz ULMNJOLGQUHUPG-FQUUOJAGSA-N 2 3 239.407 1.304 20 0 BDADHP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCNC1 ZINC000414819045 411447189 /nfs/dbraw/zinc/44/71/89/411447189.db2.gz GLVXJWZLIAJNJY-RQJABVFESA-N 2 3 239.407 1.352 20 0 BDADHP CC(C)[C@H](N)CC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000663504286 411688076 /nfs/dbraw/zinc/68/80/76/411688076.db2.gz YGJFAZCOVSGEMV-JHJVBQTASA-N 2 3 227.396 1.338 20 0 BDADHP [NH3+]C[C@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662244745 412041891 /nfs/dbraw/zinc/04/18/91/412041891.db2.gz GUIQXOYGYBZUSM-GFCCVEGCSA-N 2 3 245.370 1.113 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843344309 588101941 /nfs/dbraw/zinc/10/19/41/588101941.db2.gz VCWUSZXJDJFULE-MNOVXSKESA-N 2 3 201.358 1.221 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000567641284 326236816 /nfs/dbraw/zinc/23/68/16/326236816.db2.gz RIRZAORJYDUQFB-VXGBXAGGSA-N 2 3 227.396 1.434 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000567641282 326236923 /nfs/dbraw/zinc/23/69/23/326236923.db2.gz RIRZAORJYDUQFB-NWDGAFQWSA-N 2 3 227.396 1.434 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000902393549 584583777 /nfs/dbraw/zinc/58/37/77/584583777.db2.gz PVIVMOPRCKHWHA-AGIUHOORSA-N 2 3 239.407 1.482 20 0 BDADHP [NH3+]CCCCCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000903472182 584776365 /nfs/dbraw/zinc/77/63/65/584776365.db2.gz XMPJGKXNQIXRCL-CYBMUJFWSA-N 2 3 239.407 1.770 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CN(C)CCCCCC[NH3+] ZINC000903482491 584778958 /nfs/dbraw/zinc/77/89/58/584778958.db2.gz JGYGZIVSGDBBKU-OLZOCXBDSA-N 2 3 227.396 1.293 20 0 BDADHP C([NH2+][C@@H]1CCCNCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920990 584823018 /nfs/dbraw/zinc/82/30/18/584823018.db2.gz ZJANAXWTHLHSCX-CPIKKWJDSA-N 2 3 237.391 1.249 20 0 BDADHP CC(C)C[C@@H]([NH3+])CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978388 584832905 /nfs/dbraw/zinc/83/29/05/584832905.db2.gz NWMJOWMCCRYVBZ-JHJVBQTASA-N 2 3 227.396 1.277 20 0 BDADHP C[C@@H]1CC[N@H+](CCCCCCC[NH3+])C[C@H]1CN ZINC000842478548 588029872 /nfs/dbraw/zinc/02/98/72/588029872.db2.gz KQBOTJMBYJYMGJ-ZIAGYGMSSA-N 2 3 241.423 1.812 20 0 BDADHP C[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C[C@H]1CN ZINC000842478548 588029873 /nfs/dbraw/zinc/02/98/73/588029873.db2.gz KQBOTJMBYJYMGJ-ZIAGYGMSSA-N 2 3 241.423 1.812 20 0 BDADHP C[C@@H]1CCN(CCCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000842478548 588029876 /nfs/dbraw/zinc/02/98/76/588029876.db2.gz KQBOTJMBYJYMGJ-ZIAGYGMSSA-N 2 3 241.423 1.812 20 0 BDADHP NC[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843347736 588102257 /nfs/dbraw/zinc/10/22/57/588102257.db2.gz JLNQMVVHGPYDDX-CYBMUJFWSA-N 2 3 227.396 1.566 20 0 BDADHP NC[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843347736 588102258 /nfs/dbraw/zinc/10/22/58/588102258.db2.gz JLNQMVVHGPYDDX-CYBMUJFWSA-N 2 3 227.396 1.566 20 0 BDADHP [NH3+]CCCCCCCN1CCC[C@H](C[NH3+])C1 ZINC000843347736 588102260 /nfs/dbraw/zinc/10/22/60/588102260.db2.gz JLNQMVVHGPYDDX-CYBMUJFWSA-N 2 3 227.396 1.566 20 0 BDADHP C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCCCCC[NH3+] ZINC000843362306 588104471 /nfs/dbraw/zinc/10/44/71/588104471.db2.gz CMDHCJPXVIAIHC-OLZOCXBDSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@@H]1C[C@@H](CN)C[N@H+]1CCCCCCC[NH3+] ZINC000843362306 588104473 /nfs/dbraw/zinc/10/44/73/588104473.db2.gz CMDHCJPXVIAIHC-OLZOCXBDSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@H]1C[C@@H](CN)C[N@@H+]1CCCCCCC[NH3+] ZINC000843362308 588104515 /nfs/dbraw/zinc/10/45/15/588104515.db2.gz CMDHCJPXVIAIHC-STQMWFEESA-N 2 3 227.396 1.565 20 0 BDADHP C[C@H]1C[C@@H](CN)C[N@H+]1CCCCCCC[NH3+] ZINC000843362308 588104517 /nfs/dbraw/zinc/10/45/17/588104517.db2.gz CMDHCJPXVIAIHC-STQMWFEESA-N 2 3 227.396 1.565 20 0 BDADHP C[C@@H]1C[C@@H]([NH3+])CCN1CCCCCCC[NH3+] ZINC000846706855 588283918 /nfs/dbraw/zinc/28/39/18/588283918.db2.gz BPGKIPRMXVCUQM-OLZOCXBDSA-N 2 3 227.396 1.707 20 0 BDADHP C[C@@H]1C[C@@H](N)CC[N@@H+]1CCCCCCC[NH3+] ZINC000846706855 588283919 /nfs/dbraw/zinc/28/39/19/588283919.db2.gz BPGKIPRMXVCUQM-OLZOCXBDSA-N 2 3 227.396 1.707 20 0 BDADHP C[C@@H]1C[C@@H](N)CC[N@H+]1CCCCCCC[NH3+] ZINC000846706855 588283920 /nfs/dbraw/zinc/28/39/20/588283920.db2.gz BPGKIPRMXVCUQM-OLZOCXBDSA-N 2 3 227.396 1.707 20 0 BDADHP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000873246354 590006956 /nfs/dbraw/zinc/00/69/56/590006956.db2.gz YHCBCPKTRRLLQB-NWDGAFQWSA-N 2 3 227.396 1.482 20 0 BDADHP N[C@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260771 590013687 /nfs/dbraw/zinc/01/36/87/590013687.db2.gz HEUSOYQSSNRJDB-YHQUGGNUSA-N 2 3 237.391 1.377 20 0 BDADHP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1CN)C1CC[NH2+]CC1 ZINC000873269488 590015632 /nfs/dbraw/zinc/01/56/32/590015632.db2.gz IBKPKSOZOPUROZ-KWCYVHTRSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@@H](N[C@H](C)[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873270545 590015993 /nfs/dbraw/zinc/01/59/93/590015993.db2.gz WSBIRQRPRJLIOZ-BZPMIXESSA-N 2 3 239.407 1.495 20 0 BDADHP CC[C@@H](N[C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000873270930 590016055 /nfs/dbraw/zinc/01/60/55/590016055.db2.gz CNOHMTJGEGMPQF-YUTCNCBUSA-N 2 3 239.407 1.495 20 0 BDADHP CC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCCN1 ZINC000873270930 590016057 /nfs/dbraw/zinc/01/60/57/590016057.db2.gz CNOHMTJGEGMPQF-YUTCNCBUSA-N 2 3 239.407 1.495 20 0 BDADHP C[C@H]([NH2+][C@@H]1CCC[C@H]1CN)C1CC[NH2+]CC1 ZINC000873272482 590016093 /nfs/dbraw/zinc/01/60/93/590016093.db2.gz UCGHNTSLTYOEEI-WCFLWFBJSA-N 2 3 225.380 1.092 20 0 BDADHP CC[NH+](CC)CCCN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495767 644462213 /nfs/dbraw/zinc/46/22/13/644462213.db2.gz XQCAEYHWVOUPAA-UONOGXRCSA-N 2 3 241.423 1.635 20 0 BDADHP CCN(CC)CCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495767 644462218 /nfs/dbraw/zinc/46/22/18/644462218.db2.gz XQCAEYHWVOUPAA-UONOGXRCSA-N 2 3 241.423 1.635 20 0 BDADHP CCN(CC)CCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495767 644462219 /nfs/dbraw/zinc/46/22/19/644462219.db2.gz XQCAEYHWVOUPAA-UONOGXRCSA-N 2 3 241.423 1.635 20 0 BDADHP C(C[N@@H+]1CC[C@@]2(C1)CCCCN2)[C@@H]1CC[NH2+]C1 ZINC000923532280 644490700 /nfs/dbraw/zinc/49/07/00/644490700.db2.gz AHPBJRCXQFUAGP-UONOGXRCSA-N 2 3 237.391 1.204 20 0 BDADHP C(C[N@H+]1CC[C@@]2(C1)CCCCN2)[C@@H]1CC[NH2+]C1 ZINC000923532280 644490715 /nfs/dbraw/zinc/49/07/15/644490715.db2.gz AHPBJRCXQFUAGP-UONOGXRCSA-N 2 3 237.391 1.204 20 0 BDADHP C[C@@H]1C[NH2+]C[C@@H](NCCCCCC[NH3+])C1 ZINC000843129630 645267863 /nfs/dbraw/zinc/26/78/63/645267863.db2.gz QTZOXYBDHFIIGX-RYUDHWBXSA-N 2 3 213.369 1.093 20 0 BDADHP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925726611 646452328 /nfs/dbraw/zinc/45/23/28/646452328.db2.gz URWNAXHJPDWMLU-JHJVBQTASA-N 2 3 237.391 1.378 20 0 BDADHP C[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CC[NH2+]CC1 ZINC000925731237 646457054 /nfs/dbraw/zinc/45/70/54/646457054.db2.gz ZLAWEUZHOQCNOO-YPMHNXCESA-N 2 3 237.391 1.249 20 0 BDADHP [NH3+][C@@H]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000925879440 711761963 /nfs/dbraw/zinc/76/19/63/711761963.db2.gz DQRJBHLWWIPZSG-RBDSIQFVSA-N 2 3 245.370 1.848 20 0 BDADHP C[C@@H]1CC[C@H](NCCC2CC[NH+](C)CC2)C[NH2+]1 ZINC000399005459 958486695 /nfs/dbraw/zinc/48/66/95/958486695.db2.gz XMDMTBXMPKCQHN-OCCSQVGLSA-N 2 3 239.407 1.448 20 0 BDADHP CCN1CCC([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC001246106783 972170207 /nfs/dbraw/zinc/17/02/07/972170207.db2.gz FTFLTENTOGJJOR-QWHCGFSZSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001246231561 972239042 /nfs/dbraw/zinc/23/90/42/972239042.db2.gz NKYMGQZAHXTXQH-AGIUHOORSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246503893 972362321 /nfs/dbraw/zinc/36/23/21/972362321.db2.gz MRRDMKAQJPYEOZ-DGCLKSJQSA-N 2 3 237.391 1.249 20 0 BDADHP C[NH2+]CCCN1CCCC2(CC[NH2+]CC2)C1 ZINC001204727743 967141228 /nfs/dbraw/zinc/14/12/28/967141228.db2.gz MTABZDFBHIKNKC-UHFFFAOYSA-N 2 3 225.380 1.062 20 0 BDADHP C[C@@H](CN)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715581370 967195039 /nfs/dbraw/zinc/19/50/39/967195039.db2.gz RQRJVFGABCAXHU-UNXYVOJBSA-N 2 3 213.369 1.044 20 0 BDADHP C[C@@]1([NH3+])CCCN(CC23CC([NH3+])(C2)C3)CC1 ZINC001205257917 979780859 /nfs/dbraw/zinc/78/08/59/979780859.db2.gz YOHVIFHFRAYDQZ-PNESKVBLSA-N 2 3 223.364 1.071 20 0 BDADHP CCN1CCC([NH2+]C[C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC001246096238 987408538 /nfs/dbraw/zinc/40/85/38/987408538.db2.gz DQRGUPDNTJZSMX-CHWSQXEVSA-N 2 3 239.407 1.306 20 0 BDADHP C[C@@H]1CC[C@H](N[C@H]2CCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246137611 987492306 /nfs/dbraw/zinc/49/23/06/987492306.db2.gz JMKMVQNOKFLQLJ-AGIUHOORSA-N 2 3 237.391 1.249 20 0 BDADHP [NH3+]C12CCC([NH2+]C3CCNCC3)(CC1)CC2 ZINC001246161808 987520192 /nfs/dbraw/zinc/52/01/92/987520192.db2.gz BQBRDTRRNNTGQX-UHFFFAOYSA-N 2 3 223.364 1.132 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C23CCC([NH3+])(CC2)CC3)CCN1 ZINC001246163642 987528302 /nfs/dbraw/zinc/52/83/02/987528302.db2.gz OLQBFAWRNCERRF-IWMBGFJWSA-N 2 3 237.391 1.521 20 0 BDADHP C[NH+](C)CCCCC[NH2+]C1CCNCC1 ZINC001246168944 987532176 /nfs/dbraw/zinc/53/21/76/987532176.db2.gz GUCZIBVCWIKLMY-UHFFFAOYSA-N 2 3 213.369 1.060 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+](C)C)CCN1 ZINC001246173614 987536236 /nfs/dbraw/zinc/53/62/36/987536236.db2.gz URQDXSIJMGEGMR-CHWSQXEVSA-N 2 3 227.396 1.448 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCN1 ZINC001246176269 987545013 /nfs/dbraw/zinc/54/50/13/987545013.db2.gz OBNXBXRUVVZXIT-HZSPNIEDSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCN1 ZINC001246176269 987545027 /nfs/dbraw/zinc/54/50/27/987545027.db2.gz OBNXBXRUVVZXIT-HZSPNIEDSA-N 2 3 239.407 1.448 20 0 BDADHP C(N[C@H]1CCCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC001246185672 987562406 /nfs/dbraw/zinc/56/24/06/987562406.db2.gz VHWWHQJLTNJYIE-OLZOCXBDSA-N 2 3 237.391 1.108 20 0 BDADHP [NH3+][C@H]1CC[C@@H](CCN[C@@H]2CCC[NH2+]C2)CC1 ZINC001246201294 987598861 /nfs/dbraw/zinc/59/88/61/987598861.db2.gz GEQRHJMDXIGSBY-FRRDWIJNSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CCN1 ZINC001246224044 987623704 /nfs/dbraw/zinc/62/37/04/987623704.db2.gz MTDILRVQCFDAGN-RVMXOQNASA-N 2 3 225.380 1.234 20 0 BDADHP [NH3+]CCCCCCCN[C@@H]1CCC[NH2+]C1 ZINC001246308616 987706667 /nfs/dbraw/zinc/70/66/67/987706667.db2.gz RMLKIACNOKOPJH-GFCCVEGCSA-N 2 3 213.369 1.237 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CCc2ccc(C[NH3+])cc2)CCN1 ZINC001246482711 987841560 /nfs/dbraw/zinc/84/15/60/987841560.db2.gz IHSPDFSRKVRREO-IUODEOHRSA-N 2 3 247.386 1.418 20 0 BDADHP C[C@@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C1CC[NH2+]CC1 ZINC001246498894 987852887 /nfs/dbraw/zinc/85/28/87/987852887.db2.gz JWYWPGBWRMTABB-DMDPSCGWSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H]1CC(N2CCC(C[NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246537143 987895490 /nfs/dbraw/zinc/89/54/90/987895490.db2.gz FJNOBYRGVJPWOW-GHMZBOCLSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@@H]1CC([NH+]2CCC(C[NH3+])CC2)C[C@@H](C)N1 ZINC001246537143 987895492 /nfs/dbraw/zinc/89/54/92/987895492.db2.gz FJNOBYRGVJPWOW-GHMZBOCLSA-N 2 3 225.380 1.186 20 0 BDADHP CC(C)[C@@H]1C[C@@H](N2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246539504 987899787 /nfs/dbraw/zinc/89/97/87/987899787.db2.gz SBIZGIRWRNRKDB-KBPBESRZSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1CC[N@@H+](C2CCNCC2)CC[C@@H]1C[NH3+] ZINC001246553965 987958510 /nfs/dbraw/zinc/95/85/10/987958510.db2.gz ALZIPVXPWIIPRF-NWDGAFQWSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1CC[N@H+](C2CCNCC2)CC[C@@H]1C[NH3+] ZINC001246553965 987958520 /nfs/dbraw/zinc/95/85/20/987958520.db2.gz ALZIPVXPWIIPRF-NWDGAFQWSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCN1 ZINC001246563943 988020958 /nfs/dbraw/zinc/02/09/58/988020958.db2.gz YHIVVAFXSXOVBQ-XJFOESAGSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCN1 ZINC001246563943 988020976 /nfs/dbraw/zinc/02/09/76/988020976.db2.gz YHIVVAFXSXOVBQ-XJFOESAGSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CCN1 ZINC001246808764 988490299 /nfs/dbraw/zinc/49/02/99/988490299.db2.gz PCBCDGGCJRBERP-LBELIVKGSA-N 2 3 223.364 1.081 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CCN1 ZINC001246808764 988490308 /nfs/dbraw/zinc/49/03/08/988490308.db2.gz PCBCDGGCJRBERP-LBELIVKGSA-N 2 3 223.364 1.081 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CCN1 ZINC001246808766 988490945 /nfs/dbraw/zinc/49/09/45/988490945.db2.gz PCBCDGGCJRBERP-UJPOAAIJSA-N 2 3 223.364 1.081 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CCN1 ZINC001246808766 988490948 /nfs/dbraw/zinc/49/09/48/988490948.db2.gz PCBCDGGCJRBERP-UJPOAAIJSA-N 2 3 223.364 1.081 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000580893482 398169221 /nfs/dbraw/zinc/16/92/21/398169221.db2.gz SQPNDKWHRZAEBU-PDWCTOEPSA-N 2 3 237.391 1.234 20 0 BDADHP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635004716 345208463 /nfs/dbraw/zinc/20/84/63/345208463.db2.gz DSTLYXCGVLFLHG-QWHCGFSZSA-N 2 3 241.423 1.872 20 0 BDADHP C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000635005874 345209838 /nfs/dbraw/zinc/20/98/38/345209838.db2.gz PSVDRQRLRNHGAG-SYQHCUMBSA-N 2 3 239.407 1.624 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008120 345216036 /nfs/dbraw/zinc/21/60/36/345216036.db2.gz ZODVFCOJFHUBRP-XUXIUFHCSA-N 2 3 239.407 1.611 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000567896413 323097964 /nfs/dbraw/zinc/09/79/64/323097964.db2.gz JVQOICJXHKWJBL-AVGNSLFASA-N 2 3 225.380 1.045 20 0 BDADHP C(CN1CC[C@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000336366154 188056172 /nfs/dbraw/zinc/05/61/72/188056172.db2.gz XFDJQPNKKAWZCX-AWEZNQCLSA-N 2 3 237.391 1.062 20 0 BDADHP C[C@@H]1C[C@H]([NH3+])CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000577960582 366145214 /nfs/dbraw/zinc/14/52/14/366145214.db2.gz MHCVXRKLEAIUSW-FRRDWIJNSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@H](N)CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000577960582 366145218 /nfs/dbraw/zinc/14/52/18/366145218.db2.gz MHCVXRKLEAIUSW-FRRDWIJNSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@H](N)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000577960582 366145221 /nfs/dbraw/zinc/14/52/21/366145221.db2.gz MHCVXRKLEAIUSW-FRRDWIJNSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+]CCCNC2CC2)CC[NH2+]1 ZINC000415067349 191667215 /nfs/dbraw/zinc/66/72/15/191667215.db2.gz KRNROWAETFWZKL-VXGBXAGGSA-N 2 3 225.380 1.106 20 0 BDADHP CCN(CC)CCC[NH+]1CCC(C[NH3+])CC1 ZINC000420270850 192196999 /nfs/dbraw/zinc/19/69/99/192196999.db2.gz JSVLQONJFDXAAN-UHFFFAOYSA-N 2 3 227.396 1.389 20 0 BDADHP CC1(C)CNCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420361816 192221230 /nfs/dbraw/zinc/22/12/30/192221230.db2.gz MSZOTQDFYCQOHK-OLZOCXBDSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@H](CCCC[NH3+])N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535901 361397988 /nfs/dbraw/zinc/39/79/88/361397988.db2.gz DHZNECDGRHYESE-IJLUTSLNSA-N 2 3 213.369 1.234 20 0 BDADHP NCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543235 384713300 /nfs/dbraw/zinc/71/33/00/384713300.db2.gz JTMPWXFWGRHZDY-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP NCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543235 384713309 /nfs/dbraw/zinc/71/33/09/384713309.db2.gz JTMPWXFWGRHZDY-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]CCCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543235 384713319 /nfs/dbraw/zinc/71/33/19/384713319.db2.gz JTMPWXFWGRHZDY-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000647546230 384730005 /nfs/dbraw/zinc/73/00/05/384730005.db2.gz GEWQWGFMUPTGCZ-AAVRWANBSA-N 2 3 237.391 1.106 20 0 BDADHP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1N ZINC000647498836 385421976 /nfs/dbraw/zinc/42/19/76/385421976.db2.gz RVFXADAVONOKLM-CHWSQXEVSA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1N ZINC000647498836 385421978 /nfs/dbraw/zinc/42/19/78/385421978.db2.gz RVFXADAVONOKLM-CHWSQXEVSA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@@H]1CN(CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647498836 385421981 /nfs/dbraw/zinc/42/19/81/385421981.db2.gz RVFXADAVONOKLM-CHWSQXEVSA-N 2 3 225.380 1.045 20 0 BDADHP C(C[NH2+]C[C@@H]1CCCNC1)C[C@H]1CCC[NH2+]1 ZINC000414960938 385882273 /nfs/dbraw/zinc/88/22/73/385882273.db2.gz AVRJXJJVJSLUDN-OLZOCXBDSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@@H]1C[C@H](CN2CC[C@H]([NH3+])[C@@H](C)C2)CC[NH2+]1 ZINC000414664087 386105860 /nfs/dbraw/zinc/10/58/60/386105860.db2.gz SYMOOAKSTVIFGQ-LOWDOPEQSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](N)[C@@H](C)C2)CC[NH2+]1 ZINC000414664087 386105867 /nfs/dbraw/zinc/10/58/67/386105867.db2.gz SYMOOAKSTVIFGQ-LOWDOPEQSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](N)[C@@H](C)C2)CC[NH2+]1 ZINC000414664087 386105871 /nfs/dbraw/zinc/10/58/71/386105871.db2.gz SYMOOAKSTVIFGQ-LOWDOPEQSA-N 2 3 225.380 1.044 20 0 BDADHP CNC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414660318 386091416 /nfs/dbraw/zinc/09/14/16/386091416.db2.gz MPJQHDPHTXRTCH-XQQFMLRXSA-N 2 3 225.380 1.058 20 0 BDADHP CNC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414660318 386091423 /nfs/dbraw/zinc/09/14/23/386091423.db2.gz MPJQHDPHTXRTCH-XQQFMLRXSA-N 2 3 225.380 1.058 20 0 BDADHP CC(C)C[C@@H]([NH3+])CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013317 386496114 /nfs/dbraw/zinc/49/61/14/386496114.db2.gz URVYTAWCLBWJDI-HZSPNIEDSA-N 2 3 239.407 1.338 20 0 BDADHP CC(C)C[C@H]([NH3+])CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013319 386496429 /nfs/dbraw/zinc/49/64/29/386496429.db2.gz URVYTAWCLBWJDI-MELADBBJSA-N 2 3 239.407 1.338 20 0 BDADHP C[C@H]1C[C@H](C[NH2+]CCCNC2CC2)CC[NH2+]1 ZINC000415067346 386547362 /nfs/dbraw/zinc/54/73/62/386547362.db2.gz KRNROWAETFWZKL-NWDGAFQWSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1CC2(C[N@@H+]1CC1(CN)CC1)CC[NH2+]CC2 ZINC000335543086 386727081 /nfs/dbraw/zinc/72/70/81/386727081.db2.gz IEKQOJVKVDFWCJ-GFCCVEGCSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@@H]1CC2(C[N@H+]1CC1(CN)CC1)CC[NH2+]CC2 ZINC000335543086 386727087 /nfs/dbraw/zinc/72/70/87/386727087.db2.gz IEKQOJVKVDFWCJ-GFCCVEGCSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@H](C[C@@H]1CCC[NH2+]1)NCC[C@H]1CC[NH2+]C1 ZINC000414843952 386767588 /nfs/dbraw/zinc/76/75/88/386767588.db2.gz DALWGSVMGQWHOF-UPJWGTAASA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]([NH3+])[C@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000359230546 387072570 /nfs/dbraw/zinc/07/25/70/387072570.db2.gz ZSHLRPVAMHPYHK-OCCSQVGLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H](N)[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230546 387072572 /nfs/dbraw/zinc/07/25/72/387072572.db2.gz ZSHLRPVAMHPYHK-OCCSQVGLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H](N)[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230546 387072576 /nfs/dbraw/zinc/07/25/76/387072576.db2.gz ZSHLRPVAMHPYHK-OCCSQVGLSA-N 2 3 239.407 1.435 20 0 BDADHP CC[N@@H+]1CC[C@@H](NCC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000423330258 387176081 /nfs/dbraw/zinc/17/60/81/387176081.db2.gz BQUVRNYAAJQDMF-TZMCWYRMSA-N 2 3 237.391 1.226 20 0 BDADHP CC[N@H+]1CC[C@@H](NCC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000423330258 387176087 /nfs/dbraw/zinc/17/60/87/387176087.db2.gz BQUVRNYAAJQDMF-TZMCWYRMSA-N 2 3 237.391 1.226 20 0 BDADHP CC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CC[NH2+]CC1 ZINC000423337828 387185822 /nfs/dbraw/zinc/18/58/22/387185822.db2.gz UEAXUOPGEDXRJP-QWHCGFSZSA-N 2 3 239.407 1.483 20 0 BDADHP N[C@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc21 ZINC000572392503 387380676 /nfs/dbraw/zinc/38/06/76/387380676.db2.gz UNFYBORIWVNHJB-GJZGRUSLSA-N 2 3 243.354 1.641 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(CN(C)C)c1 ZINC000422809446 387707112 /nfs/dbraw/zinc/70/71/12/387707112.db2.gz PUAGFOGPVKWYDZ-CYBMUJFWSA-N 2 3 249.402 1.965 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423170324 387958023 /nfs/dbraw/zinc/95/80/23/387958023.db2.gz LPGAUAPLKRVLMD-YNEHKIRRSA-N 2 3 227.396 1.434 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423170324 387958027 /nfs/dbraw/zinc/95/80/27/387958027.db2.gz LPGAUAPLKRVLMD-YNEHKIRRSA-N 2 3 227.396 1.434 20 0 BDADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000423275074 388055139 /nfs/dbraw/zinc/05/51/39/388055139.db2.gz MSSLCNKSIDISOX-BLYZHGLHSA-N 2 3 239.407 1.576 20 0 BDADHP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000423275076 388056178 /nfs/dbraw/zinc/05/61/78/388056178.db2.gz MSSLCNKSIDISOX-RYSNWHEDSA-N 2 3 239.407 1.576 20 0 BDADHP C[C@H](NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423275217 388056501 /nfs/dbraw/zinc/05/65/01/388056501.db2.gz MXMAMTUOJHTFFA-MELADBBJSA-N 2 3 239.407 1.496 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000573020543 388407421 /nfs/dbraw/zinc/40/74/21/388407421.db2.gz OFFZUXIVALZQDV-YNEHKIRRSA-N 2 3 225.380 1.236 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000520837669 256814040 /nfs/dbraw/zinc/81/40/40/256814040.db2.gz DBIOITSCESYYQA-AAVRWANBSA-N 2 3 239.407 1.611 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000656199747 411203958 /nfs/dbraw/zinc/20/39/58/411203958.db2.gz BXSTWBRZTVVREK-NDBYEHHHSA-N 2 3 225.380 1.186 20 0 BDADHP N[C@H]1CCC[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000656200356 411204593 /nfs/dbraw/zinc/20/45/93/411204593.db2.gz KEDJADBFEVIGRR-QWHCGFSZSA-N 2 3 225.380 1.236 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000656201095 411206270 /nfs/dbraw/zinc/20/62/70/411206270.db2.gz SFPJSNWBJDKPDU-RVMXOQNASA-N 2 3 225.380 1.044 20 0 BDADHP C[C@H]1CCNCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656201180 411206793 /nfs/dbraw/zinc/20/67/93/411206793.db2.gz ULMNJOLGQUHUPG-IGQOVBAYSA-N 2 3 239.407 1.304 20 0 BDADHP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000666955473 487917366 /nfs/dbraw/zinc/91/73/66/487917366.db2.gz NPLONZCISCHOMM-FRRDWIJNSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@H]([NH3+])[C@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000567896413 323097962 /nfs/dbraw/zinc/09/79/62/323097962.db2.gz JVQOICJXHKWJBL-AVGNSLFASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000567896413 323097963 /nfs/dbraw/zinc/09/79/63/323097963.db2.gz JVQOICJXHKWJBL-AVGNSLFASA-N 2 3 225.380 1.045 20 0 BDADHP [NH3+][C@@H]1CC[C@H](CN2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903453719 584773019 /nfs/dbraw/zinc/77/30/19/584773019.db2.gz JRQYZUMSUZHEPW-BFHYXJOUSA-N 2 3 237.391 1.189 20 0 BDADHP CN(CCCCCC[NH3+])C[C@@H]1CCCC[NH2+]C1 ZINC000903780002 584799769 /nfs/dbraw/zinc/79/97/69/584799769.db2.gz CJXXYHMERVIOJJ-CQSZACIVSA-N 2 3 241.423 1.827 20 0 BDADHP C[C@H]1C[C@H](C[NH2+]CCC(C)(C)N)CC[NH2+]1 ZINC000903939515 584822647 /nfs/dbraw/zinc/82/26/47/584822647.db2.gz IBEMINULQSPKGY-WDEREUQCSA-N 2 3 213.369 1.092 20 0 BDADHP C([NH2+][C@H]1CCCNCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920991 584823088 /nfs/dbraw/zinc/82/30/88/584823088.db2.gz ZJANAXWTHLHSCX-PBNFFQIGSA-N 2 3 237.391 1.249 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918760 584823171 /nfs/dbraw/zinc/82/31/71/584823171.db2.gz HEUSOYQSSNRJDB-HTGUOZFMSA-N 2 3 237.391 1.377 20 0 BDADHP CCC1([NH3+])CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000903947998 584830134 /nfs/dbraw/zinc/83/01/34/584830134.db2.gz KKLZWIDHQXNOQL-QWHCGFSZSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817948271 586846710 /nfs/dbraw/zinc/84/67/10/586846710.db2.gz IAQBQBUZAIGQRL-NEPJUHHUSA-N 2 3 235.375 1.403 20 0 BDADHP NC[C@H]1CCCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843344110 588101526 /nfs/dbraw/zinc/10/15/26/588101526.db2.gz QWQXCOGEAMGTGG-CHWSQXEVSA-N 2 3 227.396 1.613 20 0 BDADHP CC[C@@H]1CN(CCCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000843378082 588105587 /nfs/dbraw/zinc/10/55/87/588105587.db2.gz ZBQDXGJVARFLTL-ZIAGYGMSSA-N 2 3 241.423 1.955 20 0 BDADHP CC[C@@H]1C[N@H+](CCCCCCC[NH3+])CC[C@H]1N ZINC000843378082 588105588 /nfs/dbraw/zinc/10/55/88/588105588.db2.gz ZBQDXGJVARFLTL-ZIAGYGMSSA-N 2 3 241.423 1.955 20 0 BDADHP CC[C@@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@H]1N ZINC000843378082 588105589 /nfs/dbraw/zinc/10/55/89/588105589.db2.gz ZBQDXGJVARFLTL-ZIAGYGMSSA-N 2 3 241.423 1.955 20 0 BDADHP CC(C)(C)N1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873254499 590010258 /nfs/dbraw/zinc/01/02/58/590010258.db2.gz VJUXLGSPCLOTMB-TXEJJXNPSA-N 2 3 239.407 1.576 20 0 BDADHP C[C@@H](N[C@H](C)C1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000873269588 590015779 /nfs/dbraw/zinc/01/57/79/590015779.db2.gz IFYDKCZDRMXBAK-NQBHXWOUSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@H]1CCCN1 ZINC000873269588 590015781 /nfs/dbraw/zinc/01/57/81/590015781.db2.gz IFYDKCZDRMXBAK-NQBHXWOUSA-N 2 3 225.380 1.105 20 0 BDADHP [NH3+]CCC[C@H](NC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925698055 634359734 /nfs/dbraw/zinc/35/97/34/634359734.db2.gz HTESZPXUBWJLPQ-ZFWWWQNUSA-N 2 3 247.386 1.666 20 0 BDADHP [NH3+]CCC[C@@H](NC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925698052 634360232 /nfs/dbraw/zinc/36/02/32/634360232.db2.gz HTESZPXUBWJLPQ-DZGCQCFKSA-N 2 3 247.386 1.666 20 0 BDADHP CN(C)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000036192424 640402428 /nfs/dbraw/zinc/40/24/28/640402428.db2.gz GUOBNCVYSPCYRX-UHFFFAOYSA-N 2 3 225.380 1.012 20 0 BDADHP C(C[N@@H+]1CCCNCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923277153 644309792 /nfs/dbraw/zinc/30/97/92/644309792.db2.gz LEXLEJIPBUDLIH-AGUYFDCRSA-N 2 3 237.391 1.202 20 0 BDADHP C(C[N@H+]1CCCNCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923277153 644309793 /nfs/dbraw/zinc/30/97/93/644309793.db2.gz LEXLEJIPBUDLIH-AGUYFDCRSA-N 2 3 237.391 1.202 20 0 BDADHP [NH3+]C[C@H]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925726508 646452795 /nfs/dbraw/zinc/45/27/95/646452795.db2.gz TVPPQWMSHCQSLQ-SFWGVHFYSA-N 2 3 249.402 1.090 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C[C@H]2C)CCN1 ZINC001246100638 972155025 /nfs/dbraw/zinc/15/50/25/972155025.db2.gz XIRUNHLXYPCARY-YIYPIFLZSA-N 2 3 239.407 1.352 20 0 BDADHP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222232006 972410830 /nfs/dbraw/zinc/41/08/30/972410830.db2.gz SANOKWPXRGLPJY-CQSZACIVSA-N 2 3 237.391 1.204 20 0 BDADHP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@]12CCCNC2 ZINC001222232006 972410841 /nfs/dbraw/zinc/41/08/41/972410841.db2.gz SANOKWPXRGLPJY-CQSZACIVSA-N 2 3 237.391 1.204 20 0 BDADHP NC[C@H]1CCCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001206606541 968416597 /nfs/dbraw/zinc/41/65/97/968416597.db2.gz ONAQIGIQEVXAOC-UONOGXRCSA-N 2 3 239.407 1.437 20 0 BDADHP NC[C@H]1CCCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001206606541 968416606 /nfs/dbraw/zinc/41/66/06/968416606.db2.gz ONAQIGIQEVXAOC-UONOGXRCSA-N 2 3 239.407 1.437 20 0 BDADHP C[NH+](C)C1CCC(N2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246544933 972606550 /nfs/dbraw/zinc/60/65/50/972606550.db2.gz IIMPZRKJLXTAHH-IYXRBSQSSA-N 2 3 239.407 1.672 20 0 BDADHP C1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)N1 ZINC001246634701 973048461 /nfs/dbraw/zinc/04/84/61/973048461.db2.gz AWRPRQATZMDUOJ-TUVASFSCSA-N 2 3 249.402 1.345 20 0 BDADHP C1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)N1 ZINC001246634701 973048475 /nfs/dbraw/zinc/04/84/75/973048475.db2.gz AWRPRQATZMDUOJ-TUVASFSCSA-N 2 3 249.402 1.345 20 0 BDADHP C[N@H+](CC[C@@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222058 979454545 /nfs/dbraw/zinc/45/45/45/979454545.db2.gz KQLZFLKKMLORON-IHRRRGAJSA-N 2 3 239.407 1.720 20 0 BDADHP C[N@@H+](CC[C@@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222058 979454551 /nfs/dbraw/zinc/45/45/51/979454551.db2.gz KQLZFLKKMLORON-IHRRRGAJSA-N 2 3 239.407 1.720 20 0 BDADHP [NH3+]C[C@]1(F)CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC001205537921 980909314 /nfs/dbraw/zinc/90/93/14/980909314.db2.gz KPNXBFXHZOUXLF-STQMWFEESA-N 2 3 243.370 1.139 20 0 BDADHP C1[NH2+]CC12CCC(N[C@@H]1CCCC[NH2+]C1)CC2 ZINC001246090938 987398272 /nfs/dbraw/zinc/39/82/72/987398272.db2.gz NIHQEYGBZFOEIN-CYBMUJFWSA-N 2 3 237.391 1.250 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC[C@H]2C)CCN1 ZINC001246104784 987434203 /nfs/dbraw/zinc/43/42/03/987434203.db2.gz BZFSFQOOFQQCER-AAVRWANBSA-N 2 3 239.407 1.352 20 0 BDADHP C1CC12CNC[C@H]2[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246134174 987488917 /nfs/dbraw/zinc/48/89/17/987488917.db2.gz PPARKBVEWHLTMS-ROKHWSDSSA-N 2 3 249.402 1.250 20 0 BDADHP CC[NH+](CC)CCCCN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246162358 987511139 /nfs/dbraw/zinc/51/11/39/987511139.db2.gz PBYAIOSJCHAUFY-UONOGXRCSA-N 2 3 241.423 1.839 20 0 BDADHP CC1(CN[C@H]2CCCC[NH2+]C2)CC[NH2+]CC1 ZINC001246209181 987606465 /nfs/dbraw/zinc/60/64/65/987606465.db2.gz FUZYXCUGZPDLCZ-LBPRGKRZSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]CC2)CCN1 ZINC001246223260 987620564 /nfs/dbraw/zinc/62/05/64/987620564.db2.gz JPBPCFJCFKSELH-AGIUHOORSA-N 2 3 225.380 1.106 20 0 BDADHP C(N[C@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC001246225281 987622717 /nfs/dbraw/zinc/62/27/17/987622717.db2.gz OTWCAGVVBCLXMQ-STQMWFEESA-N 2 3 225.380 1.108 20 0 BDADHP C[C@@H]1CC[C@H](NCC[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246226735 987623831 /nfs/dbraw/zinc/62/38/31/987623831.db2.gz BODOQMNJNKIHMC-AGIUHOORSA-N 2 3 225.380 1.106 20 0 BDADHP CC[NH2+]CCNC1CCC2(CC[NH2+]C2)CC1 ZINC001246274378 987669515 /nfs/dbraw/zinc/66/95/15/987669515.db2.gz WQIZEKYXNMBETL-UHFFFAOYSA-N 2 3 225.380 1.108 20 0 BDADHP CC(C)[NH2+]CCN[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246455549 987814444 /nfs/dbraw/zinc/81/44/44/987814444.db2.gz XOWHAMHGNHADCE-KGLIPLIRSA-N 2 3 239.407 1.496 20 0 BDADHP CC(C)[C@@H]1C[C@H](N2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246539505 987904749 /nfs/dbraw/zinc/90/47/49/987904749.db2.gz SBIZGIRWRNRKDB-KGLIPLIRSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1[C@H]([NH3+])CCN1C1CCC2(CC[NH2+]C2)CC1 ZINC001246547649 987927137 /nfs/dbraw/zinc/92/71/37/987927137.db2.gz FTUUGQWFDKXNMT-NELGMTEASA-N 2 3 237.391 1.330 20 0 BDADHP C[C@@H]1C[C@H](N2CCC(C3C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246679506 988426159 /nfs/dbraw/zinc/42/61/59/988426159.db2.gz PXXRZKABZVIIMG-BXUZGUMPSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@@H]1C[C@H]([NH+]2CCC(C3C[NH2+]C3)CC2)CCN1 ZINC001246679506 988426164 /nfs/dbraw/zinc/42/61/64/988426164.db2.gz PXXRZKABZVIIMG-BXUZGUMPSA-N 2 3 237.391 1.058 20 0 BDADHP CCN(C)C[C@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577654843 993709749 /nfs/dbraw/zinc/70/97/49/993709749.db2.gz JASVSIBHLFAREE-BFHYXJOUSA-N 2 3 239.407 1.387 20 0 BDADHP CCN(C)C[C@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577654843 993709760 /nfs/dbraw/zinc/70/97/60/993709760.db2.gz JASVSIBHLFAREE-BFHYXJOUSA-N 2 3 239.407 1.387 20 0 BDADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000577062435 365799436 /nfs/dbraw/zinc/79/94/36/365799436.db2.gz FGGIVERFWJSGNC-SWLSCSKDSA-N 2 3 247.386 1.623 20 0 BDADHP [NH3+]Cc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000583441415 344967234 /nfs/dbraw/zinc/96/72/34/344967234.db2.gz APSBHRFSQJJWBK-KGLIPLIRSA-N 2 3 233.359 1.362 20 0 BDADHP CC(C)[C@H](C[NH3+])CN1CCC2(CC[NH2+]C2)CC1 ZINC000634995184 345183575 /nfs/dbraw/zinc/18/35/75/345183575.db2.gz XSWIXWLLBZINGB-CYBMUJFWSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000635005876 345210016 /nfs/dbraw/zinc/21/00/16/345210016.db2.gz PSVDRQRLRNHGAG-XUXIUFHCSA-N 2 3 239.407 1.624 20 0 BDADHP NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008118 345216076 /nfs/dbraw/zinc/21/60/76/345216076.db2.gz ZODVFCOJFHUBRP-SYQHCUMBSA-N 2 3 239.407 1.611 20 0 BDADHP CC[NH2+]CC1CC[NH+](C[C@H](N)CC(C)C)CC1 ZINC000414658828 323151057 /nfs/dbraw/zinc/15/10/57/323151057.db2.gz KBADKYFLDBRZBC-CQSZACIVSA-N 2 3 241.423 1.681 20 0 BDADHP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCNCC1 ZINC000038040557 358482463 /nfs/dbraw/zinc/48/24/63/358482463.db2.gz HIAHBPUSGDUXOM-ZDUSSCGKSA-N 2 3 241.423 1.839 20 0 BDADHP CC(C)[C@@H]([NH3+])CCN(C)CC[C@@H]1CC[NH2+]C1 ZINC000420288584 192201341 /nfs/dbraw/zinc/20/13/41/192201341.db2.gz JIERRYFZIFDHPJ-STQMWFEESA-N 2 3 227.396 1.291 20 0 BDADHP CC(C)[C@H]([NH3+])CCN(C)CC[C@@H]1CC[NH2+]C1 ZINC000420288583 192202052 /nfs/dbraw/zinc/20/20/52/192202052.db2.gz JIERRYFZIFDHPJ-QWHCGFSZSA-N 2 3 227.396 1.291 20 0 BDADHP C[C@@H]1C[C@@H](CN)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420322060 192227931 /nfs/dbraw/zinc/22/79/31/192227931.db2.gz RXXLKYPLOZHKJC-UPJWGTAASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@@H](CN)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420322060 192227932 /nfs/dbraw/zinc/22/79/32/192227932.db2.gz RXXLKYPLOZHKJC-UPJWGTAASA-N 2 3 225.380 1.045 20 0 BDADHP CCN(C)C[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324884 192230568 /nfs/dbraw/zinc/23/05/68/192230568.db2.gz VPDJHLRXZHCAOU-UONOGXRCSA-N 2 3 239.407 1.260 20 0 BDADHP CCN(C)C[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324884 192230570 /nfs/dbraw/zinc/23/05/70/192230570.db2.gz VPDJHLRXZHCAOU-UONOGXRCSA-N 2 3 239.407 1.260 20 0 BDADHP CC[N@H+](C)C[C@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324884 192230572 /nfs/dbraw/zinc/23/05/72/192230572.db2.gz VPDJHLRXZHCAOU-UONOGXRCSA-N 2 3 239.407 1.260 20 0 BDADHP CC[N@@H+](C)C[C@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324884 192230573 /nfs/dbraw/zinc/23/05/73/192230573.db2.gz VPDJHLRXZHCAOU-UONOGXRCSA-N 2 3 239.407 1.260 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@H](N)C1 ZINC000580963531 367220938 /nfs/dbraw/zinc/22/09/38/367220938.db2.gz SHLDGJQHHFFLNE-WOPDTQHZSA-N 2 3 213.369 1.363 20 0 BDADHP CN(CC[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000566244666 326022752 /nfs/dbraw/zinc/02/27/52/326022752.db2.gz NPWUPEHQDXRDII-LBPRGKRZSA-N 2 3 225.380 1.060 20 0 BDADHP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1CN ZINC000631836494 369080335 /nfs/dbraw/zinc/08/03/35/369080335.db2.gz AFOMYUMHUMIWRH-TZMCWYRMSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1CN ZINC000631836494 369080341 /nfs/dbraw/zinc/08/03/41/369080341.db2.gz AFOMYUMHUMIWRH-TZMCWYRMSA-N 2 3 239.407 1.293 20 0 BDADHP C(CC1CC[NH2+]CC1)[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000631868075 372670707 /nfs/dbraw/zinc/67/07/07/372670707.db2.gz VTEGUPHNYQEPQW-KGLIPLIRSA-N 2 3 237.391 1.108 20 0 BDADHP C[C@H](C[NH2+][C@H](C)CCC[NH3+])CN1CCCCC1 ZINC000310403440 384159160 /nfs/dbraw/zinc/15/91/60/384159160.db2.gz NQTKBZDUKILNGI-ZIAGYGMSSA-N 2 3 241.423 1.825 20 0 BDADHP CC(C)NCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799195 385796741 /nfs/dbraw/zinc/79/67/41/385796741.db2.gz AIZDIJSYFWTCNP-HZSPNIEDSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@H](C[C@H]1CCC[NH2+]1)NCCC[C@@H]1CCC[NH2+]1 ZINC000414964713 385909683 /nfs/dbraw/zinc/90/96/83/385909683.db2.gz MRZAFJYGDSKQNT-MGPQQGTHSA-N 2 3 239.407 1.639 20 0 BDADHP [NH3+]CC1(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000414775042 386473001 /nfs/dbraw/zinc/47/30/01/386473001.db2.gz GBARUHLFJMYRAF-STQMWFEESA-N 2 3 237.391 1.047 20 0 BDADHP C[C@@H]1C[C@@H](C[NH2+]C[C@@]2(C)CCCNC2)CC[NH2+]1 ZINC000414919827 386562737 /nfs/dbraw/zinc/56/27/37/386562737.db2.gz XWYZNRUVJIDVKW-RDBSUJKOSA-N 2 3 239.407 1.354 20 0 BDADHP [NH3+]CC1CCC([NH2+]CCCNC2CC2)CC1 ZINC000415072229 386564730 /nfs/dbraw/zinc/56/47/30/386564730.db2.gz VVVRJTADJDWFBL-UHFFFAOYSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@H]1CN(CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000335759064 386887983 /nfs/dbraw/zinc/88/79/83/386887983.db2.gz UOSNEHHBHCYMAP-WCQYABFASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1N ZINC000335759064 386887987 /nfs/dbraw/zinc/88/79/87/386887987.db2.gz UOSNEHHBHCYMAP-WCQYABFASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1N ZINC000335759064 386887992 /nfs/dbraw/zinc/88/79/92/386887992.db2.gz UOSNEHHBHCYMAP-WCQYABFASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423426966 387252466 /nfs/dbraw/zinc/25/24/66/387252466.db2.gz PZPGYXODMVLIRH-RNJOBUHISA-N 2 3 227.396 1.467 20 0 BDADHP NCC[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000352488929 387251041 /nfs/dbraw/zinc/25/10/41/387251041.db2.gz WEAYTHSNLFSKBE-CQSZACIVSA-N 2 3 239.407 1.579 20 0 BDADHP NCC[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000352488929 387251049 /nfs/dbraw/zinc/25/10/49/387251049.db2.gz WEAYTHSNLFSKBE-CQSZACIVSA-N 2 3 239.407 1.579 20 0 BDADHP [NH3+]CC[C@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000352488929 387251056 /nfs/dbraw/zinc/25/10/56/387251056.db2.gz WEAYTHSNLFSKBE-CQSZACIVSA-N 2 3 239.407 1.579 20 0 BDADHP C[C@@H](N[C@@H](C)CCCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000423427130 387252000 /nfs/dbraw/zinc/25/20/00/387252000.db2.gz IEIXUYWTQBLZTN-YNEHKIRRSA-N 2 3 227.396 1.624 20 0 BDADHP C[C@@H](CCC[NH3+])NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423391475 387276343 /nfs/dbraw/zinc/27/63/43/387276343.db2.gz PMISUJXWHTXCJD-RYUDHWBXSA-N 2 3 227.396 1.482 20 0 BDADHP CC[C@H](N[C@H](C)CCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423457740 387307171 /nfs/dbraw/zinc/30/71/71/387307171.db2.gz PKBBMXGPQYMJQW-WOPDTQHZSA-N 2 3 213.369 1.234 20 0 BDADHP CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H]1CCCN1 ZINC000423457740 387307174 /nfs/dbraw/zinc/30/71/74/387307174.db2.gz PKBBMXGPQYMJQW-WOPDTQHZSA-N 2 3 213.369 1.234 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423495397 387339065 /nfs/dbraw/zinc/33/90/65/387339065.db2.gz FBQSFUPUOPQZPF-MROQNXINSA-N 2 3 225.380 1.221 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@H+](CC2CC[NH2+]CC2)C[C@@H]1CN ZINC000422560693 387602532 /nfs/dbraw/zinc/60/25/32/387602532.db2.gz HPJZAZIKPIZKGK-BZPMIXESSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1CN ZINC000422560693 387602535 /nfs/dbraw/zinc/60/25/35/387602535.db2.gz HPJZAZIKPIZKGK-BZPMIXESSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]([NH3+])C[C@H](C)NCc1cccc(C[NH+](C)C)c1 ZINC000422813902 387710410 /nfs/dbraw/zinc/71/04/10/387710410.db2.gz YXEPZSZBNWFPIF-OLZOCXBDSA-N 2 3 249.402 1.964 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000422835446 387727737 /nfs/dbraw/zinc/72/77/37/387727737.db2.gz IYKBCSLNJTUEBV-FRRDWIJNSA-N 2 3 227.396 1.576 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535898 387866391 /nfs/dbraw/zinc/86/63/91/387866391.db2.gz KVUGDAPPDVMNDP-AVGNSLFASA-N 2 3 237.391 1.236 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423161761 387942950 /nfs/dbraw/zinc/94/29/50/387942950.db2.gz JNYMTTYZXZOIHJ-RYUDHWBXSA-N 2 3 227.396 1.576 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423161761 387942951 /nfs/dbraw/zinc/94/29/51/387942951.db2.gz JNYMTTYZXZOIHJ-RYUDHWBXSA-N 2 3 227.396 1.576 20 0 BDADHP C[C@H](NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423275215 388056171 /nfs/dbraw/zinc/05/61/71/388056171.db2.gz MXMAMTUOJHTFFA-IHRRRGAJSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H]([NH3+])c1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423291639 388076440 /nfs/dbraw/zinc/07/64/40/388076440.db2.gz JERALCMCHDZGTP-QJPTWQEYSA-N 2 3 235.375 1.922 20 0 BDADHP C[C@@H](NC1CCC([NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000333286309 388101079 /nfs/dbraw/zinc/10/10/79/388101079.db2.gz NKBQXYZOLQSCIT-IKWCTNDRSA-N 2 3 225.380 1.377 20 0 BDADHP CCN(CC)CCC[NH2+][C@H](C)CCC[NH3+] ZINC000336711060 388466898 /nfs/dbraw/zinc/46/68/98/388466898.db2.gz UGCWMOYPYZWPOX-GFCCVEGCSA-N 2 3 215.385 1.435 20 0 BDADHP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC23CCC3)CC[NH2+]1 ZINC000530245086 388639247 /nfs/dbraw/zinc/63/92/47/388639247.db2.gz SSRBUQXHDGVEHA-AGIUHOORSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@H]1C[C@H]([NH3+])CCN1CCCC1CC[NH2+]CC1 ZINC000653299342 410817015 /nfs/dbraw/zinc/81/70/15/410817015.db2.gz PSAKQDUBHNWCGT-GXTWGEPZSA-N 2 3 239.407 1.578 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000656199746 411203837 /nfs/dbraw/zinc/20/38/37/411203837.db2.gz BXSTWBRZTVVREK-LPWJVIDDSA-N 2 3 225.380 1.186 20 0 BDADHP CNCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315092 412095570 /nfs/dbraw/zinc/09/55/70/412095570.db2.gz GJAMQQZVIWVXIR-CHWSQXEVSA-N 2 3 227.396 1.435 20 0 BDADHP CNCCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315092 412095573 /nfs/dbraw/zinc/09/55/73/412095573.db2.gz GJAMQQZVIWVXIR-CHWSQXEVSA-N 2 3 227.396 1.435 20 0 BDADHP C[NH2+]CCCN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315092 412095577 /nfs/dbraw/zinc/09/55/77/412095577.db2.gz GJAMQQZVIWVXIR-CHWSQXEVSA-N 2 3 227.396 1.435 20 0 BDADHP C[C@@H]1C[C@@H](CN2CCC([NH+](C)C)CC2)CC[NH2+]1 ZINC000235380741 176369254 /nfs/dbraw/zinc/36/92/54/176369254.db2.gz NKQKUGNGRXWKKA-OLZOCXBDSA-N 2 3 239.407 1.401 20 0 BDADHP N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000570802241 323070776 /nfs/dbraw/zinc/07/07/76/323070776.db2.gz BKVQMOAXQBZUOM-CABCVRRESA-N 2 3 247.386 1.895 20 0 BDADHP [NH3+]C[C@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000902488941 584627481 /nfs/dbraw/zinc/62/74/81/584627481.db2.gz OTGNKSWGZGCCFL-XGFWRYKXSA-N 2 3 237.391 1.234 20 0 BDADHP NCC[C@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903451708 584771903 /nfs/dbraw/zinc/77/19/03/584771903.db2.gz CPGIRDBITYMORD-FRRDWIJNSA-N 2 3 225.380 1.317 20 0 BDADHP NCC[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903451708 584771904 /nfs/dbraw/zinc/77/19/04/584771904.db2.gz CPGIRDBITYMORD-FRRDWIJNSA-N 2 3 225.380 1.317 20 0 BDADHP C[N@H+](C[C@@H]1CCCCNC1)C1CCC([NH3+])CC1 ZINC000903717397 584792415 /nfs/dbraw/zinc/79/24/15/584792415.db2.gz QGHPRGYXDAQRPV-IYXRBSQSSA-N 2 3 239.407 1.578 20 0 BDADHP C[N@@H+](C[C@@H]1CCCCNC1)C1CCC([NH3+])CC1 ZINC000903717397 584792417 /nfs/dbraw/zinc/79/24/17/584792417.db2.gz QGHPRGYXDAQRPV-IYXRBSQSSA-N 2 3 239.407 1.578 20 0 BDADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000903895919 584819634 /nfs/dbraw/zinc/81/96/34/584819634.db2.gz RYSUMPAEULVMDR-SCXOTVEISA-N 2 3 249.402 1.201 20 0 BDADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000903895919 584819635 /nfs/dbraw/zinc/81/96/35/584819635.db2.gz RYSUMPAEULVMDR-SCXOTVEISA-N 2 3 249.402 1.201 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000903920408 584823228 /nfs/dbraw/zinc/82/32/28/584823228.db2.gz UPWIWZKKMSGTJM-RFLLOBDJSA-N 2 3 237.391 1.247 20 0 BDADHP CC(C)(N)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000903939319 584825057 /nfs/dbraw/zinc/82/50/57/584825057.db2.gz FXMYSQRDVIPFCA-GRYCIOLGSA-N 2 3 225.380 1.092 20 0 BDADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000903917510 584826773 /nfs/dbraw/zinc/82/67/73/584826773.db2.gz MRRUIEKDENGWHE-DKUMPPAJSA-N 2 3 249.402 1.202 20 0 BDADHP CC(C)[C@H](CN)C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978418 584832889 /nfs/dbraw/zinc/83/28/89/584832889.db2.gz FAYQMWZIYFQIMJ-JHJVBQTASA-N 2 3 227.396 1.053 20 0 BDADHP CC(C)[C@@H](CN)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978402 584833101 /nfs/dbraw/zinc/83/31/01/584833101.db2.gz OGOBUOOIFPKTRP-UPJWGTAASA-N 2 3 227.396 1.134 20 0 BDADHP CC(C)[C@@H](CN)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978402 584833102 /nfs/dbraw/zinc/83/31/02/584833102.db2.gz OGOBUOOIFPKTRP-UPJWGTAASA-N 2 3 227.396 1.134 20 0 BDADHP C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904299707 584860850 /nfs/dbraw/zinc/86/08/50/584860850.db2.gz MDDHFADAUOGDAY-SWLSCSKDSA-N 2 3 247.386 1.705 20 0 BDADHP C[N@H+](C[C@H]1CCCNC1)C1CCC([NH3+])CC1 ZINC000843055915 588078051 /nfs/dbraw/zinc/07/80/51/588078051.db2.gz RYBHDTVYCJLTPX-HIFPTAJRSA-N 2 3 225.380 1.188 20 0 BDADHP C[N@@H+](C[C@H]1CCCNC1)C1CCC([NH3+])CC1 ZINC000843055915 588078053 /nfs/dbraw/zinc/07/80/53/588078053.db2.gz RYBHDTVYCJLTPX-HIFPTAJRSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1CN(CCCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000843354287 588103261 /nfs/dbraw/zinc/10/32/61/588103261.db2.gz XNYIWZODGKSEAZ-OLZOCXBDSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CC[NH2+]CC1 ZINC000873220101 589998975 /nfs/dbraw/zinc/99/89/75/589998975.db2.gz JJWYPPGYZLKSOH-RTXFEEFZSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261762 590014010 /nfs/dbraw/zinc/01/40/10/590014010.db2.gz RJCRKKULBYXHBC-NWBUJAPZSA-N 2 3 225.380 1.232 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261763 590014297 /nfs/dbraw/zinc/01/42/97/590014297.db2.gz RJCRKKULBYXHBC-OFTGVCEQSA-N 2 3 225.380 1.232 20 0 BDADHP C[C@@H]([NH2+][C@@H]1CCNCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873270584 590016487 /nfs/dbraw/zinc/01/64/87/590016487.db2.gz XWPAWUDGTVLWQB-OUCADQQQSA-N 2 3 239.407 1.352 20 0 BDADHP [NH3+]CCCCCCN1CC[NH2+]CCC12CCC2 ZINC000883459310 591673533 /nfs/dbraw/zinc/67/35/33/591673533.db2.gz RMOKKMCSTFZREA-UHFFFAOYSA-N 2 3 239.407 1.724 20 0 BDADHP C[C@H](NCCCCCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000843344397 643343972 /nfs/dbraw/zinc/34/39/72/643343972.db2.gz YYBXALKYEBPCJM-QWHCGFSZSA-N 2 3 227.396 1.626 20 0 BDADHP C[N@H+](CCCNC1CC1)C1CCC([NH3+])CC1 ZINC000923294743 644333299 /nfs/dbraw/zinc/33/32/99/644333299.db2.gz OURVOAHPYYGPAJ-UHFFFAOYSA-N 2 3 225.380 1.330 20 0 BDADHP C[N@@H+](CCCNC1CC1)C1CCC([NH3+])CC1 ZINC000923294743 644333304 /nfs/dbraw/zinc/33/33/04/644333304.db2.gz OURVOAHPYYGPAJ-UHFFFAOYSA-N 2 3 225.380 1.330 20 0 BDADHP C[NH+]1CCC(C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925492007 646299163 /nfs/dbraw/zinc/29/91/63/646299163.db2.gz GRIMCTLLCQBIOV-ZDUSSCGKSA-N 2 3 237.391 1.202 20 0 BDADHP C[C@H]([NH3+])[C@H](NC[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000925879416 646529426 /nfs/dbraw/zinc/52/94/26/646529426.db2.gz DLDRNCCOOGWOBU-NEBZKDRISA-N 2 3 247.386 1.792 20 0 BDADHP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCNC2)CC1 ZINC000715489064 712523080 /nfs/dbraw/zinc/52/30/80/712523080.db2.gz CIUIXHDANKQURO-CPCZMJQVSA-N 2 3 225.380 1.201 20 0 BDADHP NC[C@@H]1CCCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001206606539 968413531 /nfs/dbraw/zinc/41/35/31/968413531.db2.gz ONAQIGIQEVXAOC-KBPBESRZSA-N 2 3 239.407 1.437 20 0 BDADHP NC[C@@H]1CCCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001206606539 968413538 /nfs/dbraw/zinc/41/35/38/968413538.db2.gz ONAQIGIQEVXAOC-KBPBESRZSA-N 2 3 239.407 1.437 20 0 BDADHP CN1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254508623 969677750 /nfs/dbraw/zinc/67/77/50/969677750.db2.gz KPLYMHLQZRLPHN-AVGNSLFASA-N 2 3 225.380 1.330 20 0 BDADHP CC[NH+](CC)CC[C@H](C)NCCSCC[NH3+] ZINC001255952429 970586931 /nfs/dbraw/zinc/58/69/31/970586931.db2.gz UKTRMKQEFAHVIF-LBPRGKRZSA-N 2 3 247.452 1.388 20 0 BDADHP CCN(CC)CC[C@H](C)[NH2+]CCSCC[NH3+] ZINC001255952429 970586937 /nfs/dbraw/zinc/58/69/37/970586937.db2.gz UKTRMKQEFAHVIF-LBPRGKRZSA-N 2 3 247.452 1.388 20 0 BDADHP CC[C@H](N)C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703002 979128751 /nfs/dbraw/zinc/12/87/51/979128751.db2.gz ZZXSWPLBAQHQQX-AWEZNQCLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246579274 972914909 /nfs/dbraw/zinc/91/49/09/972914909.db2.gz UAQNBBQHRXTQQA-MELADBBJSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@H]1C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246579274 972914925 /nfs/dbraw/zinc/91/49/25/972914925.db2.gz UAQNBBQHRXTQQA-MELADBBJSA-N 2 3 239.407 1.578 20 0 BDADHP CCN1CCC([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC001246106789 972170262 /nfs/dbraw/zinc/17/02/62/972170262.db2.gz FTFLTENTOGJJOR-STQMWFEESA-N 2 3 239.407 1.448 20 0 BDADHP CC(C)[N@H+](CCCN)C1CCC([NH+](C)C)CC1 ZINC001168294986 964390015 /nfs/dbraw/zinc/39/00/15/964390015.db2.gz MHMUZGBGEAEYBL-UHFFFAOYSA-N 2 3 241.423 1.918 20 0 BDADHP CC(C)[N@@H+](CCCN)C1CCC([NH+](C)C)CC1 ZINC001168294986 964390023 /nfs/dbraw/zinc/39/00/23/964390023.db2.gz MHMUZGBGEAEYBL-UHFFFAOYSA-N 2 3 241.423 1.918 20 0 BDADHP CN1CCC[C@@H]([NH2+]Cc2ccccc2C[NH3+])CC1 ZINC001254506827 969672671 /nfs/dbraw/zinc/67/26/71/969672671.db2.gz AYNHMAFNYIKLOT-OAHLLOKOSA-N 2 3 247.386 1.719 20 0 BDADHP N[C@H]1CCC[N@@H+](C2CCC3(C[NH2+]C3)CC2)CC1 ZINC001246548098 972681839 /nfs/dbraw/zinc/68/18/39/972681839.db2.gz QPGUQTIHCMLDCA-LBPRGKRZSA-N 2 3 237.391 1.332 20 0 BDADHP N[C@H]1CCC[N@H+](C2CCC3(C[NH2+]C3)CC2)CC1 ZINC001246548098 972681845 /nfs/dbraw/zinc/68/18/45/972681845.db2.gz QPGUQTIHCMLDCA-LBPRGKRZSA-N 2 3 237.391 1.332 20 0 BDADHP C[C@H]1[C@@H](CN)CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001205905219 983131676 /nfs/dbraw/zinc/13/16/76/983131676.db2.gz ZJNWWDAJWTXZHG-GXTWGEPZSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]1[C@@H](CN)CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001205905219 983131685 /nfs/dbraw/zinc/13/16/85/983131685.db2.gz ZJNWWDAJWTXZHG-GXTWGEPZSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]1[C@H](CN)CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001205905220 983133650 /nfs/dbraw/zinc/13/36/50/983133650.db2.gz ZJNWWDAJWTXZHG-JSGCOSHPSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]1[C@H](CN)CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001205905220 983133674 /nfs/dbraw/zinc/13/36/74/983133674.db2.gz ZJNWWDAJWTXZHG-JSGCOSHPSA-N 2 3 239.407 1.435 20 0 BDADHP CC1(C)CNC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC001356049440 983565110 /nfs/dbraw/zinc/56/51/10/983565110.db2.gz IPYZEAWSCAPGCN-MCIGGMRASA-N 2 3 225.380 1.092 20 0 BDADHP C[NH2+]CCNC1CCC2(CC[NH2+]CC2)CC1 ZINC001246073213 987359768 /nfs/dbraw/zinc/35/97/68/987359768.db2.gz RFAPUCQKFVWEQQ-UHFFFAOYSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@H]1CC[C@@H](NCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105513 987434482 /nfs/dbraw/zinc/43/44/82/987434482.db2.gz MQKYXCOQVLZMBU-WCQYABFASA-N 2 3 225.380 1.106 20 0 BDADHP CC[NH+](CC)CCCCN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246162356 987523717 /nfs/dbraw/zinc/52/37/17/987523717.db2.gz PBYAIOSJCHAUFY-KBPBESRZSA-N 2 3 241.423 1.839 20 0 BDADHP C(CC[NH+]1CCCC1)C[NH2+]C1CCNCC1 ZINC001246162595 987524280 /nfs/dbraw/zinc/52/42/80/987524280.db2.gz PNPZIHVLICNLJU-UHFFFAOYSA-N 2 3 225.380 1.204 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]C23CCC([NH3+])(CC2)CC3)CCN1 ZINC001246163641 987529333 /nfs/dbraw/zinc/52/93/33/987529333.db2.gz OLQBFAWRNCERRF-FEPKRQSRSA-N 2 3 237.391 1.521 20 0 BDADHP C[C@H]1C[C@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001246168596 987532695 /nfs/dbraw/zinc/53/26/95/987532695.db2.gz DYVJZSOMHNRMRX-NWDGAFQWSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@H]1CC[C@@H](NCCCCC[NH+](C)C)C[NH2+]1 ZINC001246174815 987542672 /nfs/dbraw/zinc/54/26/72/987542672.db2.gz XFHVDXSBHKUTDI-QWHCGFSZSA-N 2 3 227.396 1.448 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]CC2)CCN1 ZINC001246223263 987620131 /nfs/dbraw/zinc/62/01/31/987620131.db2.gz JPBPCFJCFKSELH-JHJVBQTASA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC001246223679 987623496 /nfs/dbraw/zinc/62/34/96/987623496.db2.gz UPWIWZKKMSGTJM-HTVCTNPSSA-N 2 3 237.391 1.247 20 0 BDADHP CCC[NH2+]CCN[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246269826 987664953 /nfs/dbraw/zinc/66/49/53/987664953.db2.gz LLJFTNVBBTWYOM-KBPBESRZSA-N 2 3 239.407 1.498 20 0 BDADHP CC[NH2+]CCN[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246274647 987669895 /nfs/dbraw/zinc/66/98/95/987669895.db2.gz YUMVPKSWZIBOFI-QWHCGFSZSA-N 2 3 225.380 1.108 20 0 BDADHP C[NH+]1CCC(CCC[NH2+]C2CCNCC2)CC1 ZINC001246364767 987770682 /nfs/dbraw/zinc/77/06/82/987770682.db2.gz UFSPLEOIGRGIGV-UHFFFAOYSA-N 2 3 239.407 1.450 20 0 BDADHP CCC1(C[NH2+][C@H]2CCN[C@H](C)C2)CC[NH2+]CC1 ZINC001246420162 987795286 /nfs/dbraw/zinc/79/52/86/987795286.db2.gz FQMRAZIGXGRGEM-OLZOCXBDSA-N 2 3 239.407 1.496 20 0 BDADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246443593 987803986 /nfs/dbraw/zinc/80/39/86/987803986.db2.gz HLVNLCLIMRHSHD-STQMWFEESA-N 2 3 239.407 1.448 20 0 BDADHP CC[NH+](CC)CCC[C@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246443593 987803987 /nfs/dbraw/zinc/80/39/87/987803987.db2.gz HLVNLCLIMRHSHD-STQMWFEESA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@]1(N)C[C@H]([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246458497 987816160 /nfs/dbraw/zinc/81/61/60/987816160.db2.gz GTBJLIZATKUMDA-IGQOVBAYSA-N 2 3 237.391 1.378 20 0 BDADHP C[NH2+]C1CCC([N@@H+]2C[C@H](C)[C@H](CN)C2)CC1 ZINC001246539732 987900890 /nfs/dbraw/zinc/90/08/90/987900890.db2.gz IPGKWJORBCEYEO-ZFDZMSFRSA-N 2 3 225.380 1.044 20 0 BDADHP C[NH2+]C1CCC([N@H+]2C[C@H](C)[C@H](CN)C2)CC1 ZINC001246539732 987900894 /nfs/dbraw/zinc/90/08/94/987900894.db2.gz IPGKWJORBCEYEO-ZFDZMSFRSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCN1 ZINC001246704418 988449438 /nfs/dbraw/zinc/44/94/38/988449438.db2.gz VKRNDHKLQPBMHG-MQYQWHSLSA-N 2 3 237.391 1.010 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCN1 ZINC001246704418 988449443 /nfs/dbraw/zinc/44/94/43/988449443.db2.gz VKRNDHKLQPBMHG-MQYQWHSLSA-N 2 3 237.391 1.010 20 0 BDADHP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CCN1 ZINC001246704418 988449447 /nfs/dbraw/zinc/44/94/47/988449447.db2.gz VKRNDHKLQPBMHG-MQYQWHSLSA-N 2 3 237.391 1.010 20 0 BDADHP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CCN1 ZINC001246704418 988449449 /nfs/dbraw/zinc/44/94/49/988449449.db2.gz VKRNDHKLQPBMHG-MQYQWHSLSA-N 2 3 237.391 1.010 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](CN)C2)CC[NH2+]1 ZINC000576346978 365573697 /nfs/dbraw/zinc/57/36/97/365573697.db2.gz VKJMUXGFLQAORI-UPJWGTAASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CN)C2)CC[NH2+]1 ZINC000576346978 365573699 /nfs/dbraw/zinc/57/36/99/365573699.db2.gz VKJMUXGFLQAORI-UPJWGTAASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@H](CN2CCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000576346978 365573703 /nfs/dbraw/zinc/57/37/03/365573703.db2.gz VKJMUXGFLQAORI-UPJWGTAASA-N 2 3 225.380 1.045 20 0 BDADHP [NH3+][C@@H]1C[C@@H](NCC[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000566087935 398250230 /nfs/dbraw/zinc/25/02/30/398250230.db2.gz FRSLKCFUAIEYGQ-NILFDRSVSA-N 2 3 245.370 1.720 20 0 BDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCNCC1 ZINC000556952981 343628017 /nfs/dbraw/zinc/62/80/17/343628017.db2.gz JHPCCMNCSVYMEW-NFMDPKQHSA-N 2 3 237.391 1.234 20 0 BDADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000577062433 365798871 /nfs/dbraw/zinc/79/88/71/365798871.db2.gz FGGIVERFWJSGNC-DOMZBBRYSA-N 2 3 247.386 1.623 20 0 BDADHP CC(C)[C@H](CN)C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000634995611 345185185 /nfs/dbraw/zinc/18/51/85/345185185.db2.gz KJNNMQZNADFENM-GFCCVEGCSA-N 2 3 227.396 1.197 20 0 BDADHP NCC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420312954 192211570 /nfs/dbraw/zinc/21/15/70/192211570.db2.gz JHWFDLRXPSTUHM-KGLIPLIRSA-N 2 3 239.407 1.579 20 0 BDADHP NCC[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420312954 192211573 /nfs/dbraw/zinc/21/15/73/192211573.db2.gz JHWFDLRXPSTUHM-KGLIPLIRSA-N 2 3 239.407 1.579 20 0 BDADHP [NH3+]CC[C@@H]1CCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420312954 192211574 /nfs/dbraw/zinc/21/15/74/192211574.db2.gz JHWFDLRXPSTUHM-KGLIPLIRSA-N 2 3 239.407 1.579 20 0 BDADHP CC1(C)CNCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420373388 192231921 /nfs/dbraw/zinc/23/19/21/192231921.db2.gz YYKXLJNJZFUOGJ-ZDUSSCGKSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@@H](NCC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000582295310 357028623 /nfs/dbraw/zinc/02/86/23/357028623.db2.gz WBQVDPGBACOUTH-DGCLKSJQSA-N 2 3 225.380 1.106 20 0 BDADHP C[NH+](C)C1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000582420334 357143837 /nfs/dbraw/zinc/14/38/37/357143837.db2.gz NEYGPTQBGONHEB-HSBZDZAISA-N 2 3 239.407 1.448 20 0 BDADHP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000222989872 358217210 /nfs/dbraw/zinc/21/72/10/358217210.db2.gz CESWUKKBVMLPFO-JHJVBQTASA-N 2 3 225.380 1.188 20 0 BDADHP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000226343871 358337671 /nfs/dbraw/zinc/33/76/71/358337671.db2.gz FSUPZLPYGARFEX-OLZOCXBDSA-N 2 3 239.407 1.578 20 0 BDADHP CC[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000629655566 361560019 /nfs/dbraw/zinc/56/00/19/361560019.db2.gz ZTMOBAVEBBUPDG-MROQNXINSA-N 2 3 225.380 1.105 20 0 BDADHP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000086403730 368880252 /nfs/dbraw/zinc/88/02/52/368880252.db2.gz MMSLHJUZTVPHSI-QWHCGFSZSA-N 2 3 225.380 1.188 20 0 BDADHP CC(C)NCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647799196 385796669 /nfs/dbraw/zinc/79/66/69/385796669.db2.gz AIZDIJSYFWTCNP-MELADBBJSA-N 2 3 239.407 1.352 20 0 BDADHP C(CN(C1CC1)C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000647815526 385868002 /nfs/dbraw/zinc/86/80/02/385868002.db2.gz XXMDDOGFONQHJA-LBPRGKRZSA-N 2 3 237.391 1.202 20 0 BDADHP C[NH2+]C[C@@H]1CCCN(C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414651755 386072646 /nfs/dbraw/zinc/07/26/46/386072646.db2.gz GDBKRLJNFOJCQL-RDBSUJKOSA-N 2 3 239.407 1.306 20 0 BDADHP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCNCC2(C)C)CC[NH2+]1 ZINC000414983444 386085229 /nfs/dbraw/zinc/08/52/29/386085229.db2.gz ZQVHSSDJXAKEJU-AGIUHOORSA-N 2 3 239.407 1.352 20 0 BDADHP CC[NH2+]CC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000347199354 386282491 /nfs/dbraw/zinc/28/24/91/386282491.db2.gz JEQIWHVTQPJIRR-AWEZNQCLSA-N 2 3 239.407 1.308 20 0 BDADHP CC[NH2+]CC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000347199354 386282494 /nfs/dbraw/zinc/28/24/94/386282494.db2.gz JEQIWHVTQPJIRR-AWEZNQCLSA-N 2 3 239.407 1.308 20 0 BDADHP C[C@@H]1C[C@@H](CN2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414770130 386455374 /nfs/dbraw/zinc/45/53/74/386455374.db2.gz XTROPQCYCOZFIP-HZSPNIEDSA-N 2 3 237.391 1.060 20 0 BDADHP C[C@@H]1C[C@@H](CN2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414770139 386456678 /nfs/dbraw/zinc/45/66/78/386456678.db2.gz XTROPQCYCOZFIP-RDBSUJKOSA-N 2 3 237.391 1.060 20 0 BDADHP C[NH2+]CCCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977612 386578212 /nfs/dbraw/zinc/57/82/12/386578212.db2.gz FEVXJIIRLGZDJT-ZIAGYGMSSA-N 2 3 239.407 1.308 20 0 BDADHP CNCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977612 386578220 /nfs/dbraw/zinc/57/82/20/386578220.db2.gz FEVXJIIRLGZDJT-ZIAGYGMSSA-N 2 3 239.407 1.308 20 0 BDADHP CNCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977612 386578225 /nfs/dbraw/zinc/57/82/25/386578225.db2.gz FEVXJIIRLGZDJT-ZIAGYGMSSA-N 2 3 239.407 1.308 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)CC[NH2+]1 ZINC000414811858 386628529 /nfs/dbraw/zinc/62/85/29/386628529.db2.gz WTYJSZJKDJRABW-AAVRWANBSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+]C[C@]1(C)CCCNC1 ZINC000423341750 387191061 /nfs/dbraw/zinc/19/10/61/387191061.db2.gz MUUSXMWUHDPBOG-CHWSQXEVSA-N 2 3 227.396 1.483 20 0 BDADHP CCO[C@H](CC[NH+](C)C)CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422863383 387746870 /nfs/dbraw/zinc/74/68/70/387746870.db2.gz LJPRHXXUGZATLS-RWMBFGLXSA-N 2 3 245.411 1.059 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000422832851 387727028 /nfs/dbraw/zinc/72/70/28/387727028.db2.gz GHOGTYFOHSXTLS-RDBSUJKOSA-N 2 3 241.423 1.966 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000423037434 387851633 /nfs/dbraw/zinc/85/16/33/387851633.db2.gz BQWGHCUFXTXQEW-NEPJUHHUSA-N 2 3 227.396 1.434 20 0 BDADHP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CC12CC[NH2+]CC2 ZINC000643536422 387868009 /nfs/dbraw/zinc/86/80/09/387868009.db2.gz QSBOSGMPWDYXEK-FRRDWIJNSA-N 2 3 237.391 1.378 20 0 BDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000423172955 387959509 /nfs/dbraw/zinc/95/95/09/387959509.db2.gz WCLFXXPBXNESNO-RDBSUJKOSA-N 2 3 239.407 1.435 20 0 BDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000423172955 387959510 /nfs/dbraw/zinc/95/95/10/387959510.db2.gz WCLFXXPBXNESNO-RDBSUJKOSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H](NCC[C@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423275218 388056683 /nfs/dbraw/zinc/05/66/83/388056683.db2.gz MXMAMTUOJHTFFA-MGPQQGTHSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423284246 388067481 /nfs/dbraw/zinc/06/74/81/388067481.db2.gz WTVBCWRFRZDVIV-GRYCIOLGSA-N 2 3 213.369 1.221 20 0 BDADHP [NH3+]Cc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000565599133 388957059 /nfs/dbraw/zinc/95/70/59/388957059.db2.gz MKXDTHJDUHCYBA-GJZGRUSLSA-N 2 3 247.386 1.752 20 0 BDADHP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000084220970 135193399 /nfs/dbraw/zinc/19/33/99/135193399.db2.gz GOCIWWDFYQOGSE-QWHCGFSZSA-N 2 3 225.380 1.045 20 0 BDADHP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000335400320 136094179 /nfs/dbraw/zinc/09/41/79/136094179.db2.gz CTXDQASMABGALJ-CQSZACIVSA-N 2 3 237.391 1.062 20 0 BDADHP C(C1CC[NH2+]CC1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000335400320 136094180 /nfs/dbraw/zinc/09/41/80/136094180.db2.gz CTXDQASMABGALJ-CQSZACIVSA-N 2 3 237.391 1.062 20 0 BDADHP C[C@H]1CCNCC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335568339 136108245 /nfs/dbraw/zinc/10/82/45/136108245.db2.gz KCCSQLSVAIEJQQ-STQMWFEESA-N 2 3 239.407 1.354 20 0 BDADHP C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@H]1CCN ZINC000650712145 410342188 /nfs/dbraw/zinc/34/21/88/410342188.db2.gz SJDCVVJKDZBZGI-OCCSQVGLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1CCN ZINC000650712145 410342197 /nfs/dbraw/zinc/34/21/97/410342197.db2.gz SJDCVVJKDZBZGI-OCCSQVGLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762162 410411994 /nfs/dbraw/zinc/41/19/94/410411994.db2.gz VQDXMSHBHBAEAO-GHMZBOCLSA-N 2 3 213.369 1.092 20 0 BDADHP CN1CC=C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401005388 411169647 /nfs/dbraw/zinc/16/96/47/411169647.db2.gz BMNFXPDMDCKPOW-QLFBSQMISA-N 2 3 249.402 1.226 20 0 BDADHP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656193700 411199588 /nfs/dbraw/zinc/19/95/88/411199588.db2.gz PPMFPGAFWHMNOQ-LSDHHAIUSA-N 2 3 247.386 1.766 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000656199748 411204320 /nfs/dbraw/zinc/20/43/20/411204320.db2.gz BXSTWBRZTVVREK-WUHRBBMRSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199708 411204741 /nfs/dbraw/zinc/20/47/41/411204741.db2.gz BFZHDRSRPXKUTP-KXNHARMFSA-N 2 3 213.369 1.042 20 0 BDADHP CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000663503288 411687534 /nfs/dbraw/zinc/68/75/34/411687534.db2.gz NHZKVQFABMDTBZ-REWJHTLYSA-N 2 3 239.407 1.338 20 0 BDADHP [NH3+]CC1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000666770902 487855017 /nfs/dbraw/zinc/85/50/17/487855017.db2.gz ZCCPGKNPHFHSCE-WXRRBKDZSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CNCC1(C)C ZINC000902447275 584605185 /nfs/dbraw/zinc/60/51/85/584605185.db2.gz XUOPLVYDYIWIKS-WDEREUQCSA-N 2 3 213.369 1.092 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1CN ZINC000903459197 584766024 /nfs/dbraw/zinc/76/60/24/584766024.db2.gz DQYZNSIPRHGITP-POQQGIQPSA-N 2 3 239.407 1.419 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1CN ZINC000903459197 584766026 /nfs/dbraw/zinc/76/60/26/584766026.db2.gz DQYZNSIPRHGITP-POQQGIQPSA-N 2 3 239.407 1.419 20 0 BDADHP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CCN ZINC000903461187 584766446 /nfs/dbraw/zinc/76/64/46/584766446.db2.gz OWEMMNFNNWDYCU-MQYQWHSLSA-N 2 3 239.407 1.563 20 0 BDADHP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CCN ZINC000903461187 584766447 /nfs/dbraw/zinc/76/64/47/584766447.db2.gz OWEMMNFNNWDYCU-MQYQWHSLSA-N 2 3 239.407 1.563 20 0 BDADHP C[NH2+]CCC1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903447211 584770845 /nfs/dbraw/zinc/77/08/45/584770845.db2.gz JNKQIIIVSBPWDH-OCCSQVGLSA-N 2 3 239.407 1.163 20 0 BDADHP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@H]1CCNC12CCC2 ZINC000903471863 584775326 /nfs/dbraw/zinc/77/53/26/584775326.db2.gz VDYKPXCIRLTZDK-OLZOCXBDSA-N 2 3 237.391 1.250 20 0 BDADHP CC1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCNCC1 ZINC000903918658 584822282 /nfs/dbraw/zinc/82/22/82/584822282.db2.gz DTRSQEOYFGWPRX-YHWZYXNKSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@H]1C[C@@H](C[NH2+]CCC(C)(C)N)CC[NH2+]1 ZINC000903939514 584822604 /nfs/dbraw/zinc/82/26/04/584822604.db2.gz IBEMINULQSPKGY-QWRGUYRKSA-N 2 3 213.369 1.092 20 0 BDADHP C(NC[C@@H]1CCCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917749 584827186 /nfs/dbraw/zinc/82/71/86/584827186.db2.gz MYYJIYWPPHSYAA-GSPSYOTPSA-N 2 3 237.391 1.249 20 0 BDADHP CC(C)(N)CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903940002 584829146 /nfs/dbraw/zinc/82/91/46/584829146.db2.gz SRLLCOAELSWKCD-YOGCLGLASA-N 2 3 225.380 1.234 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+]C2CC(C[NH3+])C2)C1 ZINC000904385407 584877984 /nfs/dbraw/zinc/87/79/84/584877984.db2.gz XUGRRXHTUOMYAZ-CXQJBGSLSA-N 2 3 225.380 1.092 20 0 BDADHP CC(C)C[C@@H]([NH3+])CN1CC[C@H](CC[NH3+])C1 ZINC000904407110 584878886 /nfs/dbraw/zinc/87/88/86/584878886.db2.gz NJGQMKMVVWFLDN-NWDGAFQWSA-N 2 3 213.369 1.031 20 0 BDADHP N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947611 586846857 /nfs/dbraw/zinc/84/68/57/586846857.db2.gz CBDDFVNZRLWXOC-UONOGXRCSA-N 2 3 233.359 1.157 20 0 BDADHP C[C@@H]1CC[N@H+](CCCCCCC[NH3+])C[C@@H]1CN ZINC000842478545 588030010 /nfs/dbraw/zinc/03/00/10/588030010.db2.gz KQBOTJMBYJYMGJ-KGLIPLIRSA-N 2 3 241.423 1.812 20 0 BDADHP C[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C[C@@H]1CN ZINC000842478545 588030013 /nfs/dbraw/zinc/03/00/13/588030013.db2.gz KQBOTJMBYJYMGJ-KGLIPLIRSA-N 2 3 241.423 1.812 20 0 BDADHP C[C@@H]1CCN(CCCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000842478545 588030014 /nfs/dbraw/zinc/03/00/14/588030014.db2.gz KQBOTJMBYJYMGJ-KGLIPLIRSA-N 2 3 241.423 1.812 20 0 BDADHP NC[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000843347725 588102575 /nfs/dbraw/zinc/10/25/75/588102575.db2.gz IULSNUFPYNJIAI-CQSZACIVSA-N 2 3 239.407 1.437 20 0 BDADHP NC[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000843347725 588102576 /nfs/dbraw/zinc/10/25/76/588102576.db2.gz IULSNUFPYNJIAI-CQSZACIVSA-N 2 3 239.407 1.437 20 0 BDADHP [NH3+]C[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000843347725 588102577 /nfs/dbraw/zinc/10/25/77/588102577.db2.gz IULSNUFPYNJIAI-CQSZACIVSA-N 2 3 239.407 1.437 20 0 BDADHP [NH3+]CCCCCCCN1CCC[C@@H]1C[NH3+] ZINC000843352713 588103060 /nfs/dbraw/zinc/10/30/60/588103060.db2.gz SLGYDGZINHRTPD-GFCCVEGCSA-N 2 3 213.369 1.319 20 0 BDADHP C[NH2+]CCCN(C)CCCCCC[NH3+] ZINC000846222488 588261530 /nfs/dbraw/zinc/26/15/30/588261530.db2.gz DPDHXVQPRHMSAO-UHFFFAOYSA-N 2 3 201.358 1.047 20 0 BDADHP CNCCC[N@H+](C)CCCCCC[NH3+] ZINC000846222488 588261531 /nfs/dbraw/zinc/26/15/31/588261531.db2.gz DPDHXVQPRHMSAO-UHFFFAOYSA-N 2 3 201.358 1.047 20 0 BDADHP CNCCC[N@@H+](C)CCCCCC[NH3+] ZINC000846222488 588261532 /nfs/dbraw/zinc/26/15/32/588261532.db2.gz DPDHXVQPRHMSAO-UHFFFAOYSA-N 2 3 201.358 1.047 20 0 BDADHP C[C@H](C[NH3+])CNCc1cc2c(s1)CC[NH2+]C2 ZINC000873210941 589994918 /nfs/dbraw/zinc/99/49/18/589994918.db2.gz SVEOLWHPAFPVQE-SECBINFHSA-N 2 3 239.388 1.078 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@]23CCC[C@H]2NCC3)CC[NH2+]1 ZINC000873231855 590003351 /nfs/dbraw/zinc/00/33/51/590003351.db2.gz SAKYRSIBWZCTDL-SYQHCUMBSA-N 2 3 237.391 1.249 20 0 BDADHP CC[C@H](N[C@H](C)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000873269095 590015402 /nfs/dbraw/zinc/01/54/02/590015402.db2.gz CNOHMTJGEGMPQF-XBFCOCLRSA-N 2 3 239.407 1.495 20 0 BDADHP CC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@@H]1CCCN1 ZINC000873269095 590015405 /nfs/dbraw/zinc/01/54/05/590015405.db2.gz CNOHMTJGEGMPQF-XBFCOCLRSA-N 2 3 239.407 1.495 20 0 BDADHP CC[C@@H](N[C@H](C)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000873269094 590015693 /nfs/dbraw/zinc/01/56/93/590015693.db2.gz CNOHMTJGEGMPQF-BNOWGMLFSA-N 2 3 239.407 1.495 20 0 BDADHP CC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@@H]1CCCN1 ZINC000873269094 590015695 /nfs/dbraw/zinc/01/56/95/590015695.db2.gz CNOHMTJGEGMPQF-BNOWGMLFSA-N 2 3 239.407 1.495 20 0 BDADHP CC(C)(N)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000904444994 637415013 /nfs/dbraw/zinc/41/50/13/637415013.db2.gz UUKOUWJDSXISFA-UHFFFAOYSA-N 2 3 227.396 1.421 20 0 BDADHP CC(C)N(C)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000226338494 640750151 /nfs/dbraw/zinc/75/01/51/640750151.db2.gz VLSJHOFCSRLXCE-UHFFFAOYSA-N 2 3 241.423 1.648 20 0 BDADHP [NH3+]CCCN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505821 644475310 /nfs/dbraw/zinc/47/53/10/644475310.db2.gz CQDLVAFAFSERAJ-ZDUSSCGKSA-N 2 3 239.407 1.437 20 0 BDADHP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@]3(C2)CCCCN3)C1 ZINC000923530675 644488452 /nfs/dbraw/zinc/48/84/52/644488452.db2.gz MEGPTVPATUGLEN-MJBXVCDLSA-N 2 3 237.391 1.332 20 0 BDADHP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@]3(C2)CCCCN3)C1 ZINC000923530675 644488458 /nfs/dbraw/zinc/48/84/58/644488458.db2.gz MEGPTVPATUGLEN-MJBXVCDLSA-N 2 3 237.391 1.332 20 0 BDADHP C(C[N@@H+]1CC[C@]2(C1)CCCCN2)[C@@H]1CC[NH2+]C1 ZINC000923532278 644488928 /nfs/dbraw/zinc/48/89/28/644488928.db2.gz AHPBJRCXQFUAGP-KBPBESRZSA-N 2 3 237.391 1.204 20 0 BDADHP C(C[N@H+]1CC[C@]2(C1)CCCCN2)[C@@H]1CC[NH2+]C1 ZINC000923532278 644488935 /nfs/dbraw/zinc/48/89/35/644488935.db2.gz AHPBJRCXQFUAGP-KBPBESRZSA-N 2 3 237.391 1.204 20 0 BDADHP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923535793 644492035 /nfs/dbraw/zinc/49/20/35/644492035.db2.gz JKLQEKQXILXQKB-CQSZACIVSA-N 2 3 237.391 1.204 20 0 BDADHP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923535793 644492038 /nfs/dbraw/zinc/49/20/38/644492038.db2.gz JKLQEKQXILXQKB-CQSZACIVSA-N 2 3 237.391 1.204 20 0 BDADHP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000923535792 644493157 /nfs/dbraw/zinc/49/31/57/644493157.db2.gz JKLQEKQXILXQKB-AWEZNQCLSA-N 2 3 237.391 1.204 20 0 BDADHP C(C1CC[NH2+]CC1)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000923535792 644493164 /nfs/dbraw/zinc/49/31/64/644493164.db2.gz JKLQEKQXILXQKB-AWEZNQCLSA-N 2 3 237.391 1.204 20 0 BDADHP [NH3+]CCCCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843367436 645287026 /nfs/dbraw/zinc/28/70/26/645287026.db2.gz HIKXYTXAJCOGPZ-CQSZACIVSA-N 2 3 239.407 1.581 20 0 BDADHP CC(C)(N)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925699314 646423310 /nfs/dbraw/zinc/42/33/10/646423310.db2.gz NUZYLIDVKNCZPG-ZDUSSCGKSA-N 2 3 235.375 1.794 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879958 646529309 /nfs/dbraw/zinc/52/93/09/646529309.db2.gz NBGKTBJHKBMNDR-MROQNXINSA-N 2 3 225.380 1.221 20 0 BDADHP CC[C@@H](NC[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000925880088 711761835 /nfs/dbraw/zinc/76/18/35/711761835.db2.gz NPYUOFVKTRHVAB-XQHKEYJVSA-N 2 3 225.380 1.234 20 0 BDADHP N[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)C1CC1 ZINC000925700942 711710565 /nfs/dbraw/zinc/71/05/65/711710565.db2.gz XQFWMKTZCICUAX-GJZGRUSLSA-N 2 3 247.386 1.794 20 0 BDADHP CC1(C[N@@H+]2CCCC[C@H](CN)C2)CC[NH2+]CC1 ZINC001206606211 968417077 /nfs/dbraw/zinc/41/70/77/968417077.db2.gz HEWSYFWAEVJJOI-CYBMUJFWSA-N 2 3 239.407 1.437 20 0 BDADHP CC1(C[N@H+]2CCCC[C@H](CN)C2)CC[NH2+]CC1 ZINC001206606211 968417090 /nfs/dbraw/zinc/41/70/90/968417090.db2.gz HEWSYFWAEVJJOI-CYBMUJFWSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@H](CN)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256852720 970998615 /nfs/dbraw/zinc/99/86/15/970998615.db2.gz OXBSBQWQACHHHE-LBPRGKRZSA-N 2 3 248.374 1.235 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C[C@H](C)N1 ZINC001246478716 972350197 /nfs/dbraw/zinc/35/01/97/972350197.db2.gz XULZOCALWJGMAN-PPCPHDFISA-N 2 3 243.370 1.053 20 0 BDADHP C[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)C[C@H]1CN ZINC001205131207 965937877 /nfs/dbraw/zinc/93/78/77/965937877.db2.gz UHWHGTVBOBAEMX-QWHCGFSZSA-N 2 3 239.407 1.245 20 0 BDADHP C[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@H]1CN ZINC001205131207 965937890 /nfs/dbraw/zinc/93/78/90/965937890.db2.gz UHWHGTVBOBAEMX-QWHCGFSZSA-N 2 3 239.407 1.245 20 0 BDADHP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)C[C@H]1CN ZINC000715228921 965982193 /nfs/dbraw/zinc/98/21/93/965982193.db2.gz PABXELCQXMYIFU-MRFVTOPCSA-N 2 3 239.407 1.386 20 0 BDADHP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)C[C@H]1CN ZINC000715228921 965982204 /nfs/dbraw/zinc/98/22/04/965982204.db2.gz PABXELCQXMYIFU-MRFVTOPCSA-N 2 3 239.407 1.386 20 0 BDADHP C[NH+]1CCC(C)(C[N@@H+]2CC[C@](C)(N)C2)CC1 ZINC001204763932 967150283 /nfs/dbraw/zinc/15/02/83/967150283.db2.gz TZDPZFWYUHCMCF-ZDUSSCGKSA-N 2 3 225.380 1.141 20 0 BDADHP C[NH+]1CCC(C)(C[N@H+]2CC[C@](C)(N)C2)CC1 ZINC001204763932 967150292 /nfs/dbraw/zinc/15/02/92/967150292.db2.gz TZDPZFWYUHCMCF-ZDUSSCGKSA-N 2 3 225.380 1.141 20 0 BDADHP C[C@H]1C[NH2+]CCCN1CC[C@H]1CCC[NH2+]C1 ZINC001206257282 968175760 /nfs/dbraw/zinc/17/57/60/968175760.db2.gz AFAZDCHLGAENHZ-QWHCGFSZSA-N 2 3 225.380 1.060 20 0 BDADHP C[C@@]1(C[NH3+])CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3)CC1 ZINC001246582685 972945883 /nfs/dbraw/zinc/94/58/83/972945883.db2.gz SFDBJNVGCXJUKB-IZGVIRRGSA-N 2 3 249.402 1.496 20 0 BDADHP C[C@@]1(C[NH3+])CCC[N@H+](C2C[C@@H]3C=C[C@H](C2)N3)CC1 ZINC001246582685 972945897 /nfs/dbraw/zinc/94/58/97/972945897.db2.gz SFDBJNVGCXJUKB-IZGVIRRGSA-N 2 3 249.402 1.496 20 0 BDADHP C1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCC[C@]3(CC[NH2+]C3)C2)N1 ZINC001246634745 973051786 /nfs/dbraw/zinc/05/17/86/973051786.db2.gz AWRPRQATZMDUOJ-YJNKXOJESA-N 2 3 249.402 1.345 20 0 BDADHP C1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCC[C@]3(CC[NH2+]C3)C2)N1 ZINC001246634745 973051797 /nfs/dbraw/zinc/05/17/97/973051797.db2.gz AWRPRQATZMDUOJ-YJNKXOJESA-N 2 3 249.402 1.345 20 0 BDADHP [NH3+]CCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC001332879379 975305331 /nfs/dbraw/zinc/30/53/31/975305331.db2.gz QLENHXCTNFZNKS-KBPBESRZSA-N 2 3 239.407 1.483 20 0 BDADHP CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)NC3)CC[NH2+]CC1 ZINC001236058817 979349209 /nfs/dbraw/zinc/34/92/09/979349209.db2.gz CBSQMRIFSAYPEM-STQMWFEESA-N 2 3 237.391 1.060 20 0 BDADHP CC1(C[N@H+]2C[C@H]3CC[C@@H](C2)NC3)CC[NH2+]CC1 ZINC001236058817 979349216 /nfs/dbraw/zinc/34/92/16/979349216.db2.gz CBSQMRIFSAYPEM-STQMWFEESA-N 2 3 237.391 1.060 20 0 BDADHP C([C@@H]1CCCCN1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314140 979523869 /nfs/dbraw/zinc/52/38/69/979523869.db2.gz HIYDIABESVXTMI-MJBXVCDLSA-N 2 3 237.391 1.060 20 0 BDADHP C([C@@H]1CCCCN1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314140 979523873 /nfs/dbraw/zinc/52/38/73/979523873.db2.gz HIYDIABESVXTMI-MJBXVCDLSA-N 2 3 237.391 1.060 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@@H]2CNCC2(C)C)CC1 ZINC001577763888 984730846 /nfs/dbraw/zinc/73/08/46/984730846.db2.gz LUSFEPPCOMPJDF-CYBMUJFWSA-N 2 3 239.407 1.306 20 0 BDADHP C1C[C@@]2(C[NH2+]1)CCC[C@H]([NH2+]C1CCNCC1)C2 ZINC001246082073 987378511 /nfs/dbraw/zinc/37/85/11/987378511.db2.gz VWUPPSXLDGSTKL-KBPBESRZSA-N 2 3 237.391 1.250 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CCCC2CC[NH2+]CC2)CCN1 ZINC001246106305 987436571 /nfs/dbraw/zinc/43/65/71/987436571.db2.gz PKEOJITZFBLBBC-TZMCWYRMSA-N 2 3 239.407 1.496 20 0 BDADHP NC1CC([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246107828 987438064 /nfs/dbraw/zinc/43/80/64/987438064.db2.gz AMQWUAPLVJLKHN-UHFFFAOYSA-N 2 3 237.391 1.378 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CC[NH2+]CC3)CCN1 ZINC001246136929 987495677 /nfs/dbraw/zinc/49/56/77/987495677.db2.gz GVGALDKDXQXNCU-AGIUHOORSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@H]1CC[C@@H](NCCCC[NH+]2CCCC2)C[NH2+]1 ZINC001246162354 987520851 /nfs/dbraw/zinc/52/08/51/987520851.db2.gz OZWGTRDCUMUHBX-UONOGXRCSA-N 2 3 239.407 1.593 20 0 BDADHP N[C@H]1C[C@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246182848 987552340 /nfs/dbraw/zinc/55/23/40/987552340.db2.gz AMQWUAPLVJLKHN-DUPPUEJBSA-N 2 3 237.391 1.378 20 0 BDADHP C[C@@H]1CC[C@H](NCC[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246226743 987622019 /nfs/dbraw/zinc/62/20/19/987622019.db2.gz BODOQMNJNKIHMC-UPJWGTAASA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1CC[C@@H](NCC[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246226739 987622309 /nfs/dbraw/zinc/62/23/09/987622309.db2.gz BODOQMNJNKIHMC-FRRDWIJNSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H]1C[C@H]([NH2+]C2CCC(CC[NH3+])CC2)CCN1 ZINC001246332583 987738149 /nfs/dbraw/zinc/73/81/49/987738149.db2.gz FRJQVWFFDDOZLU-GFJIZPEISA-N 2 3 239.407 1.624 20 0 BDADHP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CCN1 ZINC001246366435 987770901 /nfs/dbraw/zinc/77/09/01/987770901.db2.gz IXQHHNKHHIOLSG-FQUUOJAGSA-N 2 3 239.407 1.589 20 0 BDADHP C1C[N@@H+](C2CCNCC2)CC2(C1)CC[NH2+]CC2 ZINC001246525309 987874946 /nfs/dbraw/zinc/87/49/46/987874946.db2.gz VZEBEHHMLUYZQE-UHFFFAOYSA-N 2 3 237.391 1.204 20 0 BDADHP C1C[N@H+](C2CCNCC2)CC2(C1)CC[NH2+]CC2 ZINC001246525309 987874950 /nfs/dbraw/zinc/87/49/50/987874950.db2.gz VZEBEHHMLUYZQE-UHFFFAOYSA-N 2 3 237.391 1.204 20 0 BDADHP C[C@@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3)CC[C@H]1C[NH3+] ZINC001246557400 987977098 /nfs/dbraw/zinc/97/70/98/987977098.db2.gz LMCASZDJVSFKQE-NLXYCFSDSA-N 2 3 249.402 1.352 20 0 BDADHP C[C@@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)N3)CC[C@H]1C[NH3+] ZINC001246557400 987977103 /nfs/dbraw/zinc/97/71/03/987977103.db2.gz LMCASZDJVSFKQE-NLXYCFSDSA-N 2 3 249.402 1.352 20 0 BDADHP C[C@@H]1CN([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001246563130 988001070 /nfs/dbraw/zinc/00/10/70/988001070.db2.gz OTQMTZXCGWHQBH-FRRDWIJNSA-N 2 3 237.391 1.188 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246579271 988101592 /nfs/dbraw/zinc/10/15/92/988101592.db2.gz UAQNBBQHRXTQQA-HZSPNIEDSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246579271 988101614 /nfs/dbraw/zinc/10/16/14/988101614.db2.gz UAQNBBQHRXTQQA-HZSPNIEDSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H]1C[C@H](N2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246580756 988108746 /nfs/dbraw/zinc/10/87/46/988108746.db2.gz OPCZSBFMLVZYFK-DGCLKSJQSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@H]([NH+]2CCC(CC[NH3+])CC2)CCN1 ZINC001246580756 988108754 /nfs/dbraw/zinc/10/87/54/988108754.db2.gz OPCZSBFMLVZYFK-DGCLKSJQSA-N 2 3 225.380 1.188 20 0 BDADHP NC[C@@H]1CCCC[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593745 988187219 /nfs/dbraw/zinc/18/72/19/988187219.db2.gz NTHQSXJJANKBBB-IGQOVBAYSA-N 2 3 237.391 1.045 20 0 BDADHP NC[C@@H]1CCCC[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593745 988187230 /nfs/dbraw/zinc/18/72/30/988187230.db2.gz NTHQSXJJANKBBB-IGQOVBAYSA-N 2 3 237.391 1.045 20 0 BDADHP CC1(CN)C[NH+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246602153 988206342 /nfs/dbraw/zinc/20/63/42/988206342.db2.gz VXCOOMOJRQAXCH-OCCSQVGLSA-N 2 3 237.391 1.189 20 0 BDADHP CC1(C[NH3+])CN([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246602153 988206352 /nfs/dbraw/zinc/20/63/52/988206352.db2.gz VXCOOMOJRQAXCH-OCCSQVGLSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)CC[NH2+]1 ZINC001246890883 988659695 /nfs/dbraw/zinc/65/96/95/988659695.db2.gz AOGPSEAJOWDDJY-AAVRWANBSA-N 2 3 237.391 1.010 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)CC[NH2+]1 ZINC001246890883 988659701 /nfs/dbraw/zinc/65/97/01/988659701.db2.gz AOGPSEAJOWDDJY-AAVRWANBSA-N 2 3 237.391 1.010 20 0 BDADHP C[NH2+]C1CCC([N@H+](C)[C@H]2CCN[C@@H](C)C2)CC1 ZINC001246917560 988712904 /nfs/dbraw/zinc/71/29/04/988712904.db2.gz KCHVGHPJXLJOJN-ABXWRUBCSA-N 2 3 239.407 1.589 20 0 BDADHP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCN[C@@H](C)C2)CC1 ZINC001246917560 988712920 /nfs/dbraw/zinc/71/29/20/988712920.db2.gz KCHVGHPJXLJOJN-ABXWRUBCSA-N 2 3 239.407 1.589 20 0 BDADHP C[NH2+]C1CCC([N@H+](C)[C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246917564 988716259 /nfs/dbraw/zinc/71/62/59/988716259.db2.gz KCHVGHPJXLJOJN-GFJIZPEISA-N 2 3 239.407 1.589 20 0 BDADHP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246917564 988716277 /nfs/dbraw/zinc/71/62/77/988716277.db2.gz KCHVGHPJXLJOJN-GFJIZPEISA-N 2 3 239.407 1.589 20 0 BDADHP C[C@H](N)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001334337457 994586337 /nfs/dbraw/zinc/58/63/37/994586337.db2.gz JVZDTKYTFWCROP-QWHCGFSZSA-N 2 3 239.407 1.435 20 0 BDADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCCNCC2)CC1 ZINC000333175243 398316639 /nfs/dbraw/zinc/31/66/39/398316639.db2.gz QTTYOVBIJVJLJG-IHRRRGAJSA-N 2 3 239.407 1.483 20 0 BDADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000577062436 365798644 /nfs/dbraw/zinc/79/86/44/365798644.db2.gz FGGIVERFWJSGNC-WFASDCNBSA-N 2 3 247.386 1.623 20 0 BDADHP [NH3+]Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000583441414 344966851 /nfs/dbraw/zinc/96/68/51/344966851.db2.gz APSBHRFSQJJWBK-KBPBESRZSA-N 2 3 233.359 1.362 20 0 BDADHP CC(C)[C@@H](CN)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000634995992 345186123 /nfs/dbraw/zinc/18/61/23/345186123.db2.gz VXQOYSDPPYEPES-RYUDHWBXSA-N 2 3 215.385 1.324 20 0 BDADHP NC[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635007839 345215222 /nfs/dbraw/zinc/21/52/22/345215222.db2.gz XYHMLTLJQPHBRA-LPWJVIDDSA-N 2 3 225.380 1.221 20 0 BDADHP C[C@H]([NH3+])[C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000567896416 323098018 /nfs/dbraw/zinc/09/80/18/323098018.db2.gz JVQOICJXHKWJBL-YNEHKIRRSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000567896416 323098019 /nfs/dbraw/zinc/09/80/19/323098019.db2.gz JVQOICJXHKWJBL-YNEHKIRRSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000567896416 323098020 /nfs/dbraw/zinc/09/80/20/323098020.db2.gz JVQOICJXHKWJBL-YNEHKIRRSA-N 2 3 225.380 1.045 20 0 BDADHP CC1(C)CNCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420361813 192222893 /nfs/dbraw/zinc/22/28/93/192222893.db2.gz MSZOTQDFYCQOHK-CHWSQXEVSA-N 2 3 239.407 1.354 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000583882662 358118108 /nfs/dbraw/zinc/11/81/08/358118108.db2.gz OWUONGRVVXXLFZ-UPJWGTAASA-N 2 3 225.380 1.378 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540547 192807649 /nfs/dbraw/zinc/80/76/49/192807649.db2.gz QRKNRBXFDSRYEX-UONOGXRCSA-N 2 3 237.391 1.403 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000578626324 366612764 /nfs/dbraw/zinc/61/27/64/366612764.db2.gz JPBWYGBZEUMTNG-NNYUYHANSA-N 2 3 213.369 1.090 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000089150429 368937126 /nfs/dbraw/zinc/93/71/26/368937126.db2.gz XVXLBZXTWOOEHD-UONOGXRCSA-N 2 3 239.407 1.435 20 0 BDADHP [NH3+]CCCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000147856036 384455487 /nfs/dbraw/zinc/45/54/87/384455487.db2.gz MFUKYKDHABELAJ-CHWSQXEVSA-N 2 3 219.332 1.460 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647552139 384756844 /nfs/dbraw/zinc/75/68/44/384756844.db2.gz HSDGJLKUXYTGKC-JZRPKSSGSA-N 2 3 225.380 1.090 20 0 BDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335037670 385929490 /nfs/dbraw/zinc/92/94/90/385929490.db2.gz DCSISZRXUWAKIS-TZMCWYRMSA-N 2 3 239.407 1.306 20 0 BDADHP C[NH2+]CC1CC[NH+](C[C@H](N)CC(C)C)CC1 ZINC000414663668 386111191 /nfs/dbraw/zinc/11/11/91/386111191.db2.gz BQIGHBNQAIERCT-CYBMUJFWSA-N 2 3 227.396 1.291 20 0 BDADHP C([C@H]1CC[NH2+]C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000647987697 386278239 /nfs/dbraw/zinc/27/82/39/386278239.db2.gz RVMXJXQHFGEHHU-GXTWGEPZSA-N 2 3 237.391 1.060 20 0 BDADHP C[NH2+]CCCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977610 386577037 /nfs/dbraw/zinc/57/70/37/386577037.db2.gz FEVXJIIRLGZDJT-KGLIPLIRSA-N 2 3 239.407 1.308 20 0 BDADHP CNCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977610 386577040 /nfs/dbraw/zinc/57/70/40/386577040.db2.gz FEVXJIIRLGZDJT-KGLIPLIRSA-N 2 3 239.407 1.308 20 0 BDADHP CNCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977610 386577046 /nfs/dbraw/zinc/57/70/46/386577046.db2.gz FEVXJIIRLGZDJT-KGLIPLIRSA-N 2 3 239.407 1.308 20 0 BDADHP C[C@@H]1C[C@@H](CN[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000415073544 386564785 /nfs/dbraw/zinc/56/47/85/386564785.db2.gz NPQCICIGZDHHSX-AGIUHOORSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2CCN)CC[NH2+]1 ZINC000414794987 386570452 /nfs/dbraw/zinc/57/04/52/386570452.db2.gz UMRXENSFHNMGSD-HZSPNIEDSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2CCN)CC[NH2+]1 ZINC000414794987 386570457 /nfs/dbraw/zinc/57/04/57/386570457.db2.gz UMRXENSFHNMGSD-HZSPNIEDSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@H]([NH3+])c1ccc(CNCC2(C[NH3+])CC2)cc1 ZINC000414817227 386652048 /nfs/dbraw/zinc/65/20/48/386652048.db2.gz RSLBBVJRJUQBQS-NSHDSACASA-N 2 3 233.359 1.535 20 0 BDADHP [NH3+]C[C@@H]1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000331604045 386873872 /nfs/dbraw/zinc/87/38/72/386873872.db2.gz OJRNEHATODVNRW-BVIHXZOGSA-N 2 3 245.370 1.848 20 0 BDADHP C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000333883493 387071045 /nfs/dbraw/zinc/07/10/45/387071045.db2.gz WRMJQEVCFCZWLT-WUHRBBMRSA-N 2 3 225.380 1.234 20 0 BDADHP C(CN1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC000334994005 387084407 /nfs/dbraw/zinc/08/44/07/387084407.db2.gz REJSFCLWXLZLOX-KGLIPLIRSA-N 2 3 237.391 1.062 20 0 BDADHP C[C@@H]([NH3+])C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000336312087 387139645 /nfs/dbraw/zinc/13/96/45/387139645.db2.gz AEAHWMFGYUHQQB-VXGBXAGGSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000336312087 387139650 /nfs/dbraw/zinc/13/96/50/387139650.db2.gz AEAHWMFGYUHQQB-VXGBXAGGSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H](CCCC[NH3+])N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423427124 387252259 /nfs/dbraw/zinc/25/22/59/387252259.db2.gz IEIXUYWTQBLZTN-AVGNSLFASA-N 2 3 227.396 1.624 20 0 BDADHP CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422737098 387645913 /nfs/dbraw/zinc/64/59/13/387645913.db2.gz HLRDPLWHMAPJMI-KGLIPLIRSA-N 2 3 241.423 1.824 20 0 BDADHP [NH3+]C[C@H]1CCC[C@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000643523846 387732740 /nfs/dbraw/zinc/73/27/40/387732740.db2.gz BHRCSWZZHQFMBG-IUODEOHRSA-N 2 3 245.370 1.507 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000423034960 387851661 /nfs/dbraw/zinc/85/16/61/387851661.db2.gz QXKCFUYWCPCEJD-ZIAGYGMSSA-N 2 3 241.423 1.968 20 0 BDADHP C[C@H](NC1CCC([NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000333286310 388101474 /nfs/dbraw/zinc/10/14/74/388101474.db2.gz NKBQXYZOLQSCIT-WTIISPKJSA-N 2 3 225.380 1.377 20 0 BDADHP C[C@H](C[NH2+][C@H](C)CCCC[NH3+])CN1CCCC1 ZINC000336712617 388466068 /nfs/dbraw/zinc/46/60/68/388466068.db2.gz OBWBZMLBWMSODG-ZIAGYGMSSA-N 2 3 241.423 1.825 20 0 BDADHP C[C@H](NCCC1(C[NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000650747710 410387801 /nfs/dbraw/zinc/38/78/01/410387801.db2.gz GDLIMMRQFMZSLK-NWDGAFQWSA-N 2 3 225.380 1.236 20 0 BDADHP C(CC1CC[NH2+]CC1)C[N@@H+]1CCCNCC1 ZINC000401080187 411176800 /nfs/dbraw/zinc/17/68/00/411176800.db2.gz VSOYYKXRNLVKKD-UHFFFAOYSA-N 2 3 225.380 1.062 20 0 BDADHP C(CC1CC[NH2+]CC1)C[N@H+]1CCCNCC1 ZINC000401080187 411176804 /nfs/dbraw/zinc/17/68/04/411176804.db2.gz VSOYYKXRNLVKKD-UHFFFAOYSA-N 2 3 225.380 1.062 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000656199749 411204923 /nfs/dbraw/zinc/20/49/23/411204923.db2.gz BXSTWBRZTVVREK-ZDEQEGDKSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@@H](C[NH3+])CNCc1ccc2c(c1)C[NH2+]CC2 ZINC000656785447 411364145 /nfs/dbraw/zinc/36/41/45/411364145.db2.gz HMQZMUFGMXDFEA-NSHDSACASA-N 2 3 233.359 1.017 20 0 BDADHP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCNC1 ZINC000414819047 411446924 /nfs/dbraw/zinc/44/69/24/411446924.db2.gz GLVXJWZLIAJNJY-XJFOESAGSA-N 2 3 239.407 1.352 20 0 BDADHP CC(C)[C@H](N)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000665280778 412225464 /nfs/dbraw/zinc/22/54/64/412225464.db2.gz LCPYQMJHPMWJRU-TZMCWYRMSA-N 2 3 241.423 1.680 20 0 BDADHP [NH3+][C@H]1CCCCC[C@@H]1NCC1=CC[NH2+]CC1 ZINC000567654267 326239434 /nfs/dbraw/zinc/23/94/34/326239434.db2.gz KIMJIOJPESNIMG-STQMWFEESA-N 2 3 223.364 1.156 20 0 BDADHP C[C@@H]([NH2+][C@@H]1CNCC1(C)C)C1CC[NH+](C)CC1 ZINC000902449079 584605477 /nfs/dbraw/zinc/60/54/77/584605477.db2.gz LUZDHJHXEXDGDO-DGCLKSJQSA-N 2 3 239.407 1.304 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902491342 584618190 /nfs/dbraw/zinc/61/81/90/584618190.db2.gz XUGRRXHTUOMYAZ-SRVKXCTJSA-N 2 3 225.380 1.092 20 0 BDADHP NC[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903460850 584766855 /nfs/dbraw/zinc/76/68/55/584766855.db2.gz JYAPDNXFPQYGJO-RFGFWPKPSA-N 2 3 237.391 1.175 20 0 BDADHP NC[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903460850 584766857 /nfs/dbraw/zinc/76/68/57/584766857.db2.gz JYAPDNXFPQYGJO-RFGFWPKPSA-N 2 3 237.391 1.175 20 0 BDADHP [NH3+]CCCCCC[NH2+][C@H]1CCNC12CCC2 ZINC000903470798 584774881 /nfs/dbraw/zinc/77/48/81/584774881.db2.gz DBMYSDWXMHMPCI-LBPRGKRZSA-N 2 3 225.380 1.380 20 0 BDADHP CCN(CC)CCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500125 584780170 /nfs/dbraw/zinc/78/01/70/584780170.db2.gz SUNUYAGEEDWCGI-ZIAGYGMSSA-N 2 3 241.423 1.635 20 0 BDADHP CCN(CC)CCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500125 584780172 /nfs/dbraw/zinc/78/01/72/584780172.db2.gz SUNUYAGEEDWCGI-ZIAGYGMSSA-N 2 3 241.423 1.635 20 0 BDADHP CC[NH+](CC)CCCN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500125 584780173 /nfs/dbraw/zinc/78/01/73/584780173.db2.gz SUNUYAGEEDWCGI-ZIAGYGMSSA-N 2 3 241.423 1.635 20 0 BDADHP [NH3+]CC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903713114 584793678 /nfs/dbraw/zinc/79/36/78/584793678.db2.gz FLKLXMXAPFKEQR-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1[NH3+] ZINC000903873750 584815953 /nfs/dbraw/zinc/81/59/53/584815953.db2.gz MDMGLMMFRIVLEY-RKFYDKJMSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1N ZINC000903873750 584815954 /nfs/dbraw/zinc/81/59/54/584815954.db2.gz MDMGLMMFRIVLEY-RKFYDKJMSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1N ZINC000903873750 584815955 /nfs/dbraw/zinc/81/59/55/584815955.db2.gz MDMGLMMFRIVLEY-RKFYDKJMSA-N 2 3 237.391 1.186 20 0 BDADHP C([NH2+][C@]12CCC[C@@H]1NCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937134 584826267 /nfs/dbraw/zinc/82/62/67/584826267.db2.gz BYAHIAWSJNVMRW-CHZLEKFTSA-N 2 3 249.402 1.391 20 0 BDADHP [NH3+][C@H]1C[C@@H](CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000904297375 584860023 /nfs/dbraw/zinc/86/00/23/584860023.db2.gz KQNPVRIPXDJSMK-FQUUOJAGSA-N 2 3 237.391 1.188 20 0 BDADHP C[C@H]([NH3+])C1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904299761 584860516 /nfs/dbraw/zinc/86/05/16/584860516.db2.gz NSZHCTZACSXAQW-GXTWGEPZSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]([NH3+])C1CC[NH+](C[C@]2(C)CCCNC2)CC1 ZINC000904299761 584860517 /nfs/dbraw/zinc/86/05/17/584860517.db2.gz NSZHCTZACSXAQW-GXTWGEPZSA-N 2 3 239.407 1.435 20 0 BDADHP CN(CCC[NH+]1CCCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904338243 584863207 /nfs/dbraw/zinc/86/32/07/584863207.db2.gz PJAAQYUCHSJSLK-BETUJISGSA-N 2 3 225.380 1.141 20 0 BDADHP C[C@]1(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CCCNC1 ZINC000904355617 584871122 /nfs/dbraw/zinc/87/11/22/584871122.db2.gz UWHQHEUYQXNNAM-UPJWGTAASA-N 2 3 225.380 1.093 20 0 BDADHP C[C@]1(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)CCCNC1 ZINC000904355614 584871320 /nfs/dbraw/zinc/87/13/20/584871320.db2.gz UWHQHEUYQXNNAM-AGIUHOORSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC[NH2+]CC1 ZINC000904383992 584877518 /nfs/dbraw/zinc/87/75/18/584877518.db2.gz GEGXQPAFVWHFFW-OCCSQVGLSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@H]1CN(Cc2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000904385507 584877947 /nfs/dbraw/zinc/87/79/47/584877947.db2.gz ZQCBGIVUHYLTRM-SMDDNHRTSA-N 2 3 233.359 1.172 20 0 BDADHP CC(C)[C@H](CN)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410596 584879347 /nfs/dbraw/zinc/87/93/47/584879347.db2.gz PNOLQIMAPLSHCG-FRRDWIJNSA-N 2 3 227.396 1.134 20 0 BDADHP CC(C)[C@H](CN)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410596 584879348 /nfs/dbraw/zinc/87/93/48/584879348.db2.gz PNOLQIMAPLSHCG-FRRDWIJNSA-N 2 3 227.396 1.134 20 0 BDADHP C[C@@]1(C[N@@H+]2CC[C@H](CC[NH3+])C2)CCCNC1 ZINC000904407287 584879372 /nfs/dbraw/zinc/87/93/72/584879372.db2.gz SKUZCIDWLMVHEF-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@]1(C[N@H+]2CC[C@H](CC[NH3+])C2)CCCNC1 ZINC000904407287 584879373 /nfs/dbraw/zinc/87/93/73/584879373.db2.gz SKUZCIDWLMVHEF-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@]1(CN2CC[C@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904407287 584879374 /nfs/dbraw/zinc/87/93/74/584879374.db2.gz SKUZCIDWLMVHEF-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP C[NH+]1CCC(NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841032805 587936868 /nfs/dbraw/zinc/93/68/68/587936868.db2.gz YPGHVZCFYKPEFS-UHFFFAOYSA-N 2 3 247.386 1.372 20 0 BDADHP NC[C@H]1CCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843344055 588101469 /nfs/dbraw/zinc/10/14/69/588101469.db2.gz OHKSZWIFCFWDCJ-VXGBXAGGSA-N 2 3 213.369 1.223 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]CCCCCC[NH3+] ZINC000843344311 588101952 /nfs/dbraw/zinc/10/19/52/588101952.db2.gz VCWUSZXJDJFULE-WDEREUQCSA-N 2 3 201.358 1.221 20 0 BDADHP C[C@@H]1CN(CCCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000843354286 588103314 /nfs/dbraw/zinc/10/33/14/588103314.db2.gz XNYIWZODGKSEAZ-CHWSQXEVSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@H]1CN(CCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000846217706 588260287 /nfs/dbraw/zinc/26/02/87/588260287.db2.gz MMLLYFWTFRKPJX-RYUDHWBXSA-N 2 3 213.369 1.175 20 0 BDADHP C[NH2+]C[C@@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846213896 588260405 /nfs/dbraw/zinc/26/04/05/588260405.db2.gz DMRZKGIFNRUGNA-ZDUSSCGKSA-N 2 3 227.396 1.437 20 0 BDADHP N[C@H]1CCC[C@H]([NH2+]CCCCCC[NH3+])C1 ZINC000848714632 588408135 /nfs/dbraw/zinc/40/81/35/588408135.db2.gz RVKDIJYUOFSDPP-RYUDHWBXSA-N 2 3 213.369 1.365 20 0 BDADHP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H]1CN ZINC000866671944 589510739 /nfs/dbraw/zinc/51/07/39/589510739.db2.gz DDHBRFPIGHWRQX-VXGBXAGGSA-N 2 3 213.369 1.032 20 0 BDADHP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H]1CN ZINC000866671944 589510738 /nfs/dbraw/zinc/51/07/38/589510738.db2.gz DDHBRFPIGHWRQX-VXGBXAGGSA-N 2 3 213.369 1.032 20 0 BDADHP C[N@H+](CCCCCC[NH3+])C[C@@H]1CCCNC1 ZINC000872154937 589886366 /nfs/dbraw/zinc/88/63/66/589886366.db2.gz FXVRGHRNXGMSMU-CYBMUJFWSA-N 2 3 227.396 1.437 20 0 BDADHP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CCCNC1 ZINC000872154937 589886367 /nfs/dbraw/zinc/88/63/67/589886367.db2.gz FXVRGHRNXGMSMU-CYBMUJFWSA-N 2 3 227.396 1.437 20 0 BDADHP CN(CCCCCC[NH3+])C[C@@H]1CCC[NH2+]C1 ZINC000872154937 589886369 /nfs/dbraw/zinc/88/63/69/589886369.db2.gz FXVRGHRNXGMSMU-CYBMUJFWSA-N 2 3 227.396 1.437 20 0 BDADHP C[C@@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CC[NH2+]CC1 ZINC000873220104 589998962 /nfs/dbraw/zinc/99/89/62/589998962.db2.gz JJWYPPGYZLKSOH-WXHSDQCUSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@@H]([NH2+][C@H]1CCCNCC1)C1CC[NH2+]CC1 ZINC000873220691 589999051 /nfs/dbraw/zinc/99/90/51/589999051.db2.gz RIBFEMFVJCNJEI-YPMHNXCESA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873269590 590015299 /nfs/dbraw/zinc/01/52/99/590015299.db2.gz IFYDKCZDRMXBAK-NTZNESFSSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCN1)C1CC[NH2+]CC1 ZINC000873269590 590015301 /nfs/dbraw/zinc/01/53/01/590015301.db2.gz IFYDKCZDRMXBAK-NTZNESFSSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C1CC[NH2+]CC1 ZINC000873269564 590015736 /nfs/dbraw/zinc/01/57/36/590015736.db2.gz IBKPKSOZOPUROZ-MRVWCRGKSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@@H]([NH2+][C@@H]1CCC[C@H]1CN)C1CC[NH2+]CC1 ZINC000873270425 590015981 /nfs/dbraw/zinc/01/59/81/590015981.db2.gz UCGHNTSLTYOEEI-KGYLQXTDSA-N 2 3 225.380 1.092 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925517336 646312641 /nfs/dbraw/zinc/31/26/41/646312641.db2.gz ADIYWFAWKURPPE-LBPRGKRZSA-N 2 3 225.380 1.202 20 0 BDADHP C[C@H]([NH3+])[C@H](NC1CCC([NH3+])CC1)c1ccccc1 ZINC000925689533 646416673 /nfs/dbraw/zinc/41/66/73/646416673.db2.gz BLRBEMNOGAAKLZ-LLGZUXRYSA-N 2 3 247.386 1.934 20 0 BDADHP CCN(CC)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000054239908 711782542 /nfs/dbraw/zinc/78/25/42/711782542.db2.gz RJOIBRZXIJUZEM-UHFFFAOYSA-N 2 3 241.423 1.650 20 0 BDADHP C[NH2+]C1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246091881 972146295 /nfs/dbraw/zinc/14/62/95/972146295.db2.gz QWXUKRBGTFAGBA-BPCQOVAHSA-N 2 3 225.380 1.249 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC[C@@H]2C)CCN1 ZINC001246104839 972167381 /nfs/dbraw/zinc/16/73/81/972167381.db2.gz BZFSFQOOFQQCER-RFQIPJPRSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@H]1CC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C[C@H](C)N1 ZINC001246478720 972350543 /nfs/dbraw/zinc/35/05/43/972350543.db2.gz XULZOCALWJGMAN-ZPFDUUQYSA-N 2 3 243.370 1.053 20 0 BDADHP CCC[N@H+](CCCN)C1CCC([NH+](C)C)CC1 ZINC001168295249 964389585 /nfs/dbraw/zinc/38/95/85/964389585.db2.gz YRUCHRDITARSAP-UHFFFAOYSA-N 2 3 241.423 1.920 20 0 BDADHP CCC[N@@H+](CCCN)C1CCC([NH+](C)C)CC1 ZINC001168295249 964389599 /nfs/dbraw/zinc/38/95/99/964389599.db2.gz YRUCHRDITARSAP-UHFFFAOYSA-N 2 3 241.423 1.920 20 0 BDADHP C[C@@H](N)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001334337455 976454853 /nfs/dbraw/zinc/45/48/53/976454853.db2.gz JVZDTKYTFWCROP-CHWSQXEVSA-N 2 3 239.407 1.435 20 0 BDADHP CN(CCCC[NH3+])CCC[NH2+]C1CCCCC1 ZINC001236140750 979408338 /nfs/dbraw/zinc/40/83/38/979408338.db2.gz FUWSXBNDQXEPIR-UHFFFAOYSA-N 2 3 241.423 1.970 20 0 BDADHP C[C@@H]1[C@@H](C[NH3+])CCCN1CC1(F)CC[NH2+]CC1 ZINC001205902700 983117180 /nfs/dbraw/zinc/11/71/80/983117180.db2.gz KYFRXCCTCJIIJR-VXGBXAGGSA-N 2 3 243.370 1.137 20 0 BDADHP [NH3+]CCCCCCCCN[C@@H]1CCC[NH2+]C1 ZINC001246081048 987377085 /nfs/dbraw/zinc/37/70/85/987377085.db2.gz QVAOZXJFLDMZMI-CYBMUJFWSA-N 2 3 227.396 1.627 20 0 BDADHP CCN1CCC([NH2+]C[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC001246121845 987467054 /nfs/dbraw/zinc/46/70/54/987467054.db2.gz UKEJWJYXVMZHGQ-CHWSQXEVSA-N 2 3 239.407 1.306 20 0 BDADHP C[C@@H]1CC[C@H](NCCCC[NH+]2CCCC2)C[NH2+]1 ZINC001246162353 987519785 /nfs/dbraw/zinc/51/97/85/987519785.db2.gz OZWGTRDCUMUHBX-KGLIPLIRSA-N 2 3 239.407 1.593 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246161927 987522439 /nfs/dbraw/zinc/52/24/39/987522439.db2.gz BYVKCKAZCFOIEX-FDYHWXHSSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCCC2)CCN1 ZINC001246161750 987523044 /nfs/dbraw/zinc/52/30/44/987523044.db2.gz LIEJUDFZZKJMKC-KBPBESRZSA-N 2 3 239.407 1.593 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CCN1 ZINC001246163463 987528943 /nfs/dbraw/zinc/52/89/43/987528943.db2.gz IWGKPVQIODYRKS-NEPJUHHUSA-N 2 3 213.369 1.236 20 0 BDADHP C[C@H]1CC[C@H](NCCCCC[NH+](C)C)C[NH2+]1 ZINC001246174819 987544863 /nfs/dbraw/zinc/54/48/63/987544863.db2.gz XFHVDXSBHKUTDI-STQMWFEESA-N 2 3 227.396 1.448 20 0 BDADHP C[C@@H]1CC[C@@H](NC[C@@H]2CC23CC[NH2+]CC3)C[NH2+]1 ZINC001246184486 987563520 /nfs/dbraw/zinc/56/35/20/987563520.db2.gz SKZLXBOEAFBPBA-FRRDWIJNSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246207986 987602963 /nfs/dbraw/zinc/60/29/63/987602963.db2.gz ZTXZGTVCQIOMQC-AAVRWANBSA-N 2 3 239.407 1.482 20 0 BDADHP [NH3+][C@@H]1CN([C@H]2CCC3(C2)CC[NH2+]CC3)CC12CC2 ZINC001246533400 987888949 /nfs/dbraw/zinc/88/89/49/987888949.db2.gz NIIVNYFAFLRHSK-QWHCGFSZSA-N 2 3 249.402 1.332 20 0 BDADHP C[NH2+]C1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)NC3)CC1 ZINC001246866302 988618719 /nfs/dbraw/zinc/61/87/19/988618719.db2.gz JDAMVCQPILZKIQ-AHPWVWPOSA-N 2 3 237.391 1.201 20 0 BDADHP C[NH2+]C1CCC([N@H+]2C[C@H]3CC[C@@H](C2)NC3)CC1 ZINC001246866302 988618727 /nfs/dbraw/zinc/61/87/27/988618727.db2.gz JDAMVCQPILZKIQ-AHPWVWPOSA-N 2 3 237.391 1.201 20 0 BDADHP CC[NH+]1CCC(C[NH2+]CC[C@@H](C)N(C)C)CC1 ZINC001560951380 991666550 /nfs/dbraw/zinc/66/65/50/991666550.db2.gz GFYZSKUAGUMZCN-CYBMUJFWSA-N 2 3 241.423 1.648 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000580903464 398250647 /nfs/dbraw/zinc/25/06/47/398250647.db2.gz TWKHWTWNZSTCOA-UMSGYPCISA-N 2 3 225.380 1.363 20 0 BDADHP CC(C)[C@H](CN)C[NH2+][C@H](C)CCCC[NH3+] ZINC000634995993 345186225 /nfs/dbraw/zinc/18/62/25/345186225.db2.gz VXQOYSDPPYEPES-VXGBXAGGSA-N 2 3 215.385 1.324 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003427 345206303 /nfs/dbraw/zinc/20/63/03/345206303.db2.gz DBBNJHJGGJACNY-WRWGMCAJSA-N 2 3 213.369 1.219 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635004714 345208308 /nfs/dbraw/zinc/20/83/08/345208308.db2.gz DSTLYXCGVLFLHG-CHWSQXEVSA-N 2 3 241.423 1.872 20 0 BDADHP C[NH+](C)CCCC1CC[NH+](CC(C)(C)N)CC1 ZINC000346961802 355169613 /nfs/dbraw/zinc/16/96/13/355169613.db2.gz GBEXXOGXYCADOF-UHFFFAOYSA-N 2 3 241.423 1.778 20 0 BDADHP C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000420296932 192205388 /nfs/dbraw/zinc/20/53/88/192205388.db2.gz XQWYQOWIZPLGQT-JHJVBQTASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1N ZINC000420296932 192205390 /nfs/dbraw/zinc/20/53/90/192205390.db2.gz XQWYQOWIZPLGQT-JHJVBQTASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1N ZINC000420296932 192205392 /nfs/dbraw/zinc/20/53/92/192205392.db2.gz XQWYQOWIZPLGQT-JHJVBQTASA-N 2 3 225.380 1.045 20 0 BDADHP NCC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420312953 192210933 /nfs/dbraw/zinc/21/09/33/192210933.db2.gz JHWFDLRXPSTUHM-KBPBESRZSA-N 2 3 239.407 1.579 20 0 BDADHP NCC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420312953 192210935 /nfs/dbraw/zinc/21/09/35/192210935.db2.gz JHWFDLRXPSTUHM-KBPBESRZSA-N 2 3 239.407 1.579 20 0 BDADHP [NH3+]CC[C@@H]1CCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420312953 192210937 /nfs/dbraw/zinc/21/09/37/192210937.db2.gz JHWFDLRXPSTUHM-KBPBESRZSA-N 2 3 239.407 1.579 20 0 BDADHP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCNCC1 ZINC000420313273 192212309 /nfs/dbraw/zinc/21/23/09/192212309.db2.gz PNBQXAYJQWHUSY-ZIAGYGMSSA-N 2 3 239.407 1.450 20 0 BDADHP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCNCC1 ZINC000420313273 192212311 /nfs/dbraw/zinc/21/23/11/192212311.db2.gz PNBQXAYJQWHUSY-ZIAGYGMSSA-N 2 3 239.407 1.450 20 0 BDADHP C1CC2(C1)NCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629512106 361105829 /nfs/dbraw/zinc/10/58/29/361105829.db2.gz ALCOHNMKHTXNPE-SYQHCUMBSA-N 2 3 249.402 1.249 20 0 BDADHP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000581132217 367272162 /nfs/dbraw/zinc/27/21/62/367272162.db2.gz DGGZHVPVMOWURG-WFASDCNBSA-N 2 3 247.386 1.575 20 0 BDADHP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000581132217 367272167 /nfs/dbraw/zinc/27/21/67/367272167.db2.gz DGGZHVPVMOWURG-WFASDCNBSA-N 2 3 247.386 1.575 20 0 BDADHP C[C@H]1C[NH2+]C[C@H](NC2CCC([NH+](C)C)CC2)C1 ZINC000647552119 384758100 /nfs/dbraw/zinc/75/81/00/384758100.db2.gz GRFMCPRHQLEITN-NELGMTEASA-N 2 3 239.407 1.447 20 0 BDADHP NC[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647830557 385872567 /nfs/dbraw/zinc/87/25/67/385872567.db2.gz QSSDNOHBLUTFSM-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP NC[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647830557 385872570 /nfs/dbraw/zinc/87/25/70/385872570.db2.gz QSSDNOHBLUTFSM-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@H]1C[C@H](CN2CC[C@H]([NH3+])[C@H](C)C2)CC[NH2+]1 ZINC000414664089 386105328 /nfs/dbraw/zinc/10/53/28/386105328.db2.gz SYMOOAKSTVIFGQ-LPWJVIDDSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](N)[C@H](C)C2)CC[NH2+]1 ZINC000414664089 386105332 /nfs/dbraw/zinc/10/53/32/386105332.db2.gz SYMOOAKSTVIFGQ-LPWJVIDDSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](N)[C@H](C)C2)CC[NH2+]1 ZINC000414664089 386105337 /nfs/dbraw/zinc/10/53/37/386105337.db2.gz SYMOOAKSTVIFGQ-LPWJVIDDSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H](N)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655679 386081706 /nfs/dbraw/zinc/08/17/06/386081706.db2.gz DVAMRBDXQPUUGA-FDYHWXHSSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H](N)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655679 386081713 /nfs/dbraw/zinc/08/17/13/386081713.db2.gz DVAMRBDXQPUUGA-FDYHWXHSSA-N 2 3 225.380 1.044 20 0 BDADHP CC(C)C[C@@H]([NH3+])CN1CCC2(C1)CC[NH2+]CC2 ZINC000414760444 386415457 /nfs/dbraw/zinc/41/54/57/386415457.db2.gz GXMKFEIRTYQFKD-CYBMUJFWSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000415020314 386507903 /nfs/dbraw/zinc/50/79/03/386507903.db2.gz XAAMCLZFXWVOAU-UPJWGTAASA-N 2 3 227.396 1.482 20 0 BDADHP CCN(CC)CCC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415096300 386614453 /nfs/dbraw/zinc/61/44/53/386614453.db2.gz AXUBQLVYWDWDQQ-KGLIPLIRSA-N 2 3 241.423 1.696 20 0 BDADHP CC1(C)CCC[NH2+][C@H]1CNC1CCC([NH3+])CC1 ZINC000334867036 386923417 /nfs/dbraw/zinc/92/34/17/386923417.db2.gz ZESWZQAYAPSGEL-BPCQOVAHSA-N 2 3 239.407 1.624 20 0 BDADHP C(CN1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC000334994004 387084315 /nfs/dbraw/zinc/08/43/15/387084315.db2.gz REJSFCLWXLZLOX-KBPBESRZSA-N 2 3 237.391 1.062 20 0 BDADHP CC1(C[NH2+][C@H]2CCCC[C@H]2CN)CC[NH2+]CC1 ZINC000423337829 387186108 /nfs/dbraw/zinc/18/61/08/387186108.db2.gz UEAXUOPGEDXRJP-STQMWFEESA-N 2 3 239.407 1.483 20 0 BDADHP C[C@@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CCCNC1 ZINC000423341756 387189879 /nfs/dbraw/zinc/18/98/79/387189879.db2.gz MUUSXMWUHDPBOG-STQMWFEESA-N 2 3 227.396 1.483 20 0 BDADHP C[C@H]([NH3+])C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000336312085 387140470 /nfs/dbraw/zinc/14/04/70/387140470.db2.gz AEAHWMFGYUHQQB-NWDGAFQWSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000336312085 387140474 /nfs/dbraw/zinc/14/04/74/387140474.db2.gz AEAHWMFGYUHQQB-NWDGAFQWSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H](CCC[NH3+])N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423450050 387299524 /nfs/dbraw/zinc/29/95/24/387299524.db2.gz HCIYYMJDEQVWHE-SRVKXCTJSA-N 2 3 213.369 1.234 20 0 BDADHP CC[C@@H](N[C@@H](C)CCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423457737 387307318 /nfs/dbraw/zinc/30/73/18/387307318.db2.gz PKBBMXGPQYMJQW-TUAOUCFPSA-N 2 3 213.369 1.234 20 0 BDADHP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H]1CCCN1 ZINC000423457737 387307322 /nfs/dbraw/zinc/30/73/22/387307322.db2.gz PKBBMXGPQYMJQW-TUAOUCFPSA-N 2 3 213.369 1.234 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@H+](CC2CC[NH2+]CC2)C[C@H]1CN ZINC000422560696 387602826 /nfs/dbraw/zinc/60/28/26/387602826.db2.gz HPJZAZIKPIZKGK-YRGRVCCFSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C[C@H]1CN ZINC000422560696 387602839 /nfs/dbraw/zinc/60/28/39/387602839.db2.gz HPJZAZIKPIZKGK-YRGRVCCFSA-N 2 3 239.407 1.291 20 0 BDADHP CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422737097 387645713 /nfs/dbraw/zinc/64/57/13/387645713.db2.gz HLRDPLWHMAPJMI-KBPBESRZSA-N 2 3 241.423 1.824 20 0 BDADHP CC[NH+]1CCC(CC[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000422785701 387683084 /nfs/dbraw/zinc/68/30/84/387683084.db2.gz NWYDRKXUSNFPLD-QWHCGFSZSA-N 2 3 241.423 1.824 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535902 387866618 /nfs/dbraw/zinc/86/66/18/387866618.db2.gz KVUGDAPPDVMNDP-XQQFMLRXSA-N 2 3 237.391 1.236 20 0 BDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000423172953 387959976 /nfs/dbraw/zinc/95/99/76/387959976.db2.gz WCLFXXPBXNESNO-MCIONIFRSA-N 2 3 239.407 1.435 20 0 BDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000423172953 387959978 /nfs/dbraw/zinc/95/99/78/387959978.db2.gz WCLFXXPBXNESNO-MCIONIFRSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](NCC[C@@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423238448 388022180 /nfs/dbraw/zinc/02/21/80/388022180.db2.gz AKEWJBHMQKWAEU-RWMBFGLXSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H](NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423275216 388056870 /nfs/dbraw/zinc/05/68/70/388056870.db2.gz MXMAMTUOJHTFFA-MCIONIFRSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000423289480 388074254 /nfs/dbraw/zinc/07/42/54/388074254.db2.gz BBOTUQGKDZQYGI-GDLCADMTSA-N 2 3 233.359 1.676 20 0 BDADHP [NH3+]CC1(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000650747524 410387631 /nfs/dbraw/zinc/38/76/31/410387631.db2.gz BSYYBXZHBYFYIX-UONOGXRCSA-N 2 3 245.370 1.850 20 0 BDADHP C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCC[NH2+]1 ZINC000656199680 411204339 /nfs/dbraw/zinc/20/43/39/411204339.db2.gz AWKZURVZDGZXLY-YIYPIFLZSA-N 2 3 239.407 1.447 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000656201097 411206869 /nfs/dbraw/zinc/20/68/69/411206869.db2.gz SFPJSNWBJDKPDU-WUHRBBMRSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1CCN ZINC000652355680 411215423 /nfs/dbraw/zinc/21/54/23/411215423.db2.gz DHYHTRZUMXGEFS-HZSPNIEDSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1CCN ZINC000652355680 411215428 /nfs/dbraw/zinc/21/54/28/411215428.db2.gz DHYHTRZUMXGEFS-HZSPNIEDSA-N 2 3 239.407 1.435 20 0 BDADHP [NH3+]C[C@@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662244746 412042198 /nfs/dbraw/zinc/04/21/98/412042198.db2.gz GUIQXOYGYBZUSM-LBPRGKRZSA-N 2 3 245.370 1.113 20 0 BDADHP C[C@H]1C[C@H](CN)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359220988 177361940 /nfs/dbraw/zinc/36/19/40/177361940.db2.gz OEVUBBWCCYRVKM-WCQYABFASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[C@H](CN)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359220988 177361942 /nfs/dbraw/zinc/36/19/42/177361942.db2.gz OEVUBBWCCYRVKM-WCQYABFASA-N 2 3 225.380 1.045 20 0 BDADHP CC(C)C[C@H]([NH3+])CN1CC[C@H](CC[NH3+])C1 ZINC000904407111 584878932 /nfs/dbraw/zinc/87/89/32/584878932.db2.gz NJGQMKMVVWFLDN-RYUDHWBXSA-N 2 3 213.369 1.031 20 0 BDADHP CC(C)C[C@@H]([NH3+])CN[C@H]1CC12CC[NH2+]CC2 ZINC000666955344 487917000 /nfs/dbraw/zinc/91/70/00/487917000.db2.gz ATPBXLZAWSASMQ-NEPJUHHUSA-N 2 3 225.380 1.092 20 0 BDADHP [NH3+][C@@H]1CCCCC[C@H]1NCC1=CC[NH2+]CC1 ZINC000567654264 326239325 /nfs/dbraw/zinc/23/93/25/326239325.db2.gz KIMJIOJPESNIMG-CHWSQXEVSA-N 2 3 223.364 1.156 20 0 BDADHP N[C@H]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000086403951 487501049 /nfs/dbraw/zinc/50/10/49/487501049.db2.gz WFTRKAJWDIZBGF-POSLAHMBSA-N 2 3 211.353 1.116 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902328072 584561189 /nfs/dbraw/zinc/56/11/89/584561189.db2.gz IWXZVDSWLAHOCD-ZDUSSCGKSA-N 2 3 241.423 1.696 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000902393550 584583261 /nfs/dbraw/zinc/58/32/61/584583261.db2.gz PVIVMOPRCKHWHA-AVGNSLFASA-N 2 3 239.407 1.482 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425017 584764899 /nfs/dbraw/zinc/76/48/99/584764899.db2.gz ORIBUMJJWUTFKB-RNJOBUHISA-N 2 3 225.380 1.173 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425017 584764900 /nfs/dbraw/zinc/76/49/00/584764900.db2.gz ORIBUMJJWUTFKB-RNJOBUHISA-N 2 3 225.380 1.173 20 0 BDADHP C[C@H](C[NH3+])CNCc1cccc2c1CC[NH2+]C2 ZINC000903920282 584822981 /nfs/dbraw/zinc/82/29/81/584822981.db2.gz RYDCLWURZIILAF-LLVKDONJSA-N 2 3 233.359 1.017 20 0 BDADHP C[NH2+]CCCN(C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929776 584824313 /nfs/dbraw/zinc/82/43/13/584824313.db2.gz LHKAIRDPLVGDQL-YHWZYXNKSA-N 2 3 225.380 1.058 20 0 BDADHP CNCCC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929776 584824314 /nfs/dbraw/zinc/82/43/14/584824314.db2.gz LHKAIRDPLVGDQL-YHWZYXNKSA-N 2 3 225.380 1.058 20 0 BDADHP CNCCC[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929776 584824315 /nfs/dbraw/zinc/82/43/15/584824315.db2.gz LHKAIRDPLVGDQL-YHWZYXNKSA-N 2 3 225.380 1.058 20 0 BDADHP C[C@H]1C[C@H]([NH3+])CCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931996 584824763 /nfs/dbraw/zinc/82/47/63/584824763.db2.gz KXAUTRANNGGSIF-KZWUZSNJSA-N 2 3 237.391 1.329 20 0 BDADHP C[C@H]1C[C@H](N)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931996 584824766 /nfs/dbraw/zinc/82/47/66/584824766.db2.gz KXAUTRANNGGSIF-KZWUZSNJSA-N 2 3 237.391 1.329 20 0 BDADHP C[C@H]1C[C@H](N)CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931996 584824767 /nfs/dbraw/zinc/82/47/67/584824767.db2.gz KXAUTRANNGGSIF-KZWUZSNJSA-N 2 3 237.391 1.329 20 0 BDADHP C[C@H]1CC[C@@H](NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000903934418 584825688 /nfs/dbraw/zinc/82/56/88/584825688.db2.gz GUPQGTSLGDGGEW-APYLGABCSA-N 2 3 237.391 1.247 20 0 BDADHP C[C@@H]1CC[C@H](NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000903934419 584825753 /nfs/dbraw/zinc/82/57/53/584825753.db2.gz GUPQGTSLGDGGEW-JWURUJNWSA-N 2 3 237.391 1.247 20 0 BDADHP C([NH2+][C@@]12CCC[C@@H]1NCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937135 584826102 /nfs/dbraw/zinc/82/61/02/584826102.db2.gz BYAHIAWSJNVMRW-OLMTUDMXSA-N 2 3 249.402 1.391 20 0 BDADHP C[C@@H](C[C@H]1CCC[NH2+]1)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979019 584833131 /nfs/dbraw/zinc/83/31/31/584833131.db2.gz RZIAADFTDCUTET-XJFOESAGSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000903978852 584833136 /nfs/dbraw/zinc/83/31/36/584833136.db2.gz NGXHFSDPZLNEIY-FVCCEPFGSA-N 2 3 225.380 1.092 20 0 BDADHP C[C@@H]([NH3+])C1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904299763 584860680 /nfs/dbraw/zinc/86/06/80/584860680.db2.gz NSZHCTZACSXAQW-OCCSQVGLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]([NH3+])C1CC[NH+](C[C@@]2(C)CCCNC2)CC1 ZINC000904299763 584860681 /nfs/dbraw/zinc/86/06/81/584860681.db2.gz NSZHCTZACSXAQW-OCCSQVGLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@]1(CN2CCC[C@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904334435 584866460 /nfs/dbraw/zinc/86/64/60/584866460.db2.gz WBDWGZHTTCGEIF-KGLIPLIRSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@]1(C[N@@H+]2CCC[C@H](CC[NH3+])C2)CCCNC1 ZINC000904334435 584866462 /nfs/dbraw/zinc/86/64/62/584866462.db2.gz WBDWGZHTTCGEIF-KGLIPLIRSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@]1(C[N@H+]2CCC[C@H](CC[NH3+])C2)CCCNC1 ZINC000904334435 584866463 /nfs/dbraw/zinc/86/64/63/584866463.db2.gz WBDWGZHTTCGEIF-KGLIPLIRSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@]1(CN2CCC[C@@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904334436 584866922 /nfs/dbraw/zinc/86/69/22/584866922.db2.gz WBDWGZHTTCGEIF-UONOGXRCSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@]1(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CCCNC1 ZINC000904334436 584866923 /nfs/dbraw/zinc/86/69/23/584866923.db2.gz WBDWGZHTTCGEIF-UONOGXRCSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@]1(C[N@H+]2CCC[C@@H](CC[NH3+])C2)CCCNC1 ZINC000904334436 584866924 /nfs/dbraw/zinc/86/69/24/584866924.db2.gz WBDWGZHTTCGEIF-UONOGXRCSA-N 2 3 239.407 1.437 20 0 BDADHP [NH3+][C@H]1C[C@@H](CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000904358713 584872371 /nfs/dbraw/zinc/87/23/71/584872371.db2.gz ROBZAOMWFHWDME-MQYQWHSLSA-N 2 3 237.391 1.188 20 0 BDADHP N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904373586 584873808 /nfs/dbraw/zinc/87/38/08/584873808.db2.gz FWXDQWLWZAOYJF-ZIAGYGMSSA-N 2 3 233.359 1.505 20 0 BDADHP N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947612 586847072 /nfs/dbraw/zinc/84/70/72/586847072.db2.gz CBDDFVNZRLWXOC-ZIAGYGMSSA-N 2 3 233.359 1.157 20 0 BDADHP CC1(C)CNCC[C@@H]1[NH2+]CCCCCCC[NH3+] ZINC000842475939 588029602 /nfs/dbraw/zinc/02/96/02/588029602.db2.gz YFKFKKYXZVJOAL-ZDUSSCGKSA-N 2 3 241.423 1.873 20 0 BDADHP C[C@@H](N)[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843353065 588103449 /nfs/dbraw/zinc/10/34/49/588103449.db2.gz APVGWOHUMJFUOL-KGLIPLIRSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@@H](N)[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843353065 588103451 /nfs/dbraw/zinc/10/34/51/588103451.db2.gz APVGWOHUMJFUOL-KGLIPLIRSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@@H]([NH3+])[C@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000843353065 588103452 /nfs/dbraw/zinc/10/34/52/588103452.db2.gz APVGWOHUMJFUOL-KGLIPLIRSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@@H]1CCC[N@H+](CCCCCC[NH3+])[C@@H]1CCN ZINC000846226407 588261752 /nfs/dbraw/zinc/26/17/52/588261752.db2.gz MPPFAZFWFACWSP-ZIAGYGMSSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])[C@@H]1CCN ZINC000846226407 588261753 /nfs/dbraw/zinc/26/17/53/588261753.db2.gz MPPFAZFWFACWSP-ZIAGYGMSSA-N 2 3 241.423 1.955 20 0 BDADHP CC(C)[C@@H](CN)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000873210403 589994824 /nfs/dbraw/zinc/99/48/24/589994824.db2.gz FDZCYRNWVCAMER-ZDUSSCGKSA-N 2 3 239.407 1.293 20 0 BDADHP CC(C)[C@@H](CN)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000873210403 589994825 /nfs/dbraw/zinc/99/48/25/589994825.db2.gz FDZCYRNWVCAMER-ZDUSSCGKSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CC[NH2+]CC1 ZINC000873220103 589999018 /nfs/dbraw/zinc/99/90/18/589999018.db2.gz JJWYPPGYZLKSOH-WCFLWFBJSA-N 2 3 225.380 1.234 20 0 BDADHP [NH3+][C@H]1C[C@@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000873249862 590007750 /nfs/dbraw/zinc/00/77/50/590007750.db2.gz NEVDETIFTZAXLQ-DJBIQUGXSA-N 2 3 231.343 1.458 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873270223 590016290 /nfs/dbraw/zinc/01/62/90/590016290.db2.gz PLSVNLACQWFQCI-OUAUKWLOSA-N 2 3 213.369 1.090 20 0 BDADHP C[C@@H](N[C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000873272824 590017004 /nfs/dbraw/zinc/01/70/04/590017004.db2.gz WSBIRQRPRJLIOZ-SCRDCRAPSA-N 2 3 239.407 1.495 20 0 BDADHP C[C@H](N)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925698119 634362406 /nfs/dbraw/zinc/36/24/06/634362406.db2.gz BZEJCTSTDSBZBZ-AAEUAGOBSA-N 2 3 221.348 1.403 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000925794406 635329119 /nfs/dbraw/zinc/32/91/19/635329119.db2.gz LLUPKDKEHUVZHP-XJFOESAGSA-N 2 3 239.407 1.339 20 0 BDADHP CC(C)(C[NH3+])C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000903788648 637381616 /nfs/dbraw/zinc/38/16/16/637381616.db2.gz BZJAQWOWUWZYIY-LBPRGKRZSA-N 2 3 239.407 1.293 20 0 BDADHP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000084220964 643650266 /nfs/dbraw/zinc/65/02/66/643650266.db2.gz GOCIWWDFYQOGSE-CHWSQXEVSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@H](C)[N@H+](CCCCCC[NH3+])C[C@@H]1CN ZINC000846222447 643652537 /nfs/dbraw/zinc/65/25/37/643652537.db2.gz CTTNEWAQPHSHPG-RDBSUJKOSA-N 2 3 241.423 1.811 20 0 BDADHP C[C@@H]1C[C@H](C)[N@@H+](CCCCCC[NH3+])C[C@@H]1CN ZINC000846222447 643652541 /nfs/dbraw/zinc/65/25/41/643652541.db2.gz CTTNEWAQPHSHPG-RDBSUJKOSA-N 2 3 241.423 1.811 20 0 BDADHP C[C@@H]1CN(CCC[NH2+]C2CC2)CC[C@@H]1C[NH3+] ZINC000923494527 644469604 /nfs/dbraw/zinc/46/96/04/644469604.db2.gz YLXVZBFQQZDRSK-VXGBXAGGSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@H+](CCCNC2CC2)CC[C@@H]1C[NH3+] ZINC000923494527 644469606 /nfs/dbraw/zinc/46/96/06/644469606.db2.gz YLXVZBFQQZDRSK-VXGBXAGGSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@@H+](CCCNC2CC2)CC[C@@H]1C[NH3+] ZINC000923494527 644469608 /nfs/dbraw/zinc/46/96/08/644469608.db2.gz YLXVZBFQQZDRSK-VXGBXAGGSA-N 2 3 225.380 1.045 20 0 BDADHP [NH3+][C@@H]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000925879438 646529665 /nfs/dbraw/zinc/52/96/65/646529665.db2.gz DQRJBHLWWIPZSG-IDTSFGKNSA-N 2 3 245.370 1.848 20 0 BDADHP C[C@@]1(N)CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001204939834 967243951 /nfs/dbraw/zinc/24/39/51/967243951.db2.gz UTSONOVLJWRODB-CYBMUJFWSA-N 2 3 225.380 1.189 20 0 BDADHP CC[NH+](CC)C1CCC([NH2+]C2CC(N)C2)CC1 ZINC001173107914 975025833 /nfs/dbraw/zinc/02/58/33/975025833.db2.gz RUKKVWNCETUXCV-UHFFFAOYSA-N 2 3 239.407 1.719 20 0 BDADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCC[NH3+] ZINC001332403368 975082354 /nfs/dbraw/zinc/08/23/54/975082354.db2.gz VPVPMKIUZBOGFW-SRVKXCTJSA-N 2 3 225.380 1.092 20 0 BDADHP C[C@@H](N)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001334337456 976453659 /nfs/dbraw/zinc/45/36/59/976453659.db2.gz JVZDTKYTFWCROP-OLZOCXBDSA-N 2 3 239.407 1.435 20 0 BDADHP [NH3+]C[C@]1(F)CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC001205537919 980909421 /nfs/dbraw/zinc/90/94/21/980909421.db2.gz KPNXBFXHZOUXLF-OLZOCXBDSA-N 2 3 243.370 1.139 20 0 BDADHP C[C@H]([NH3+])c1ccc(N[C@@H](N)CCC[NH3+])cc1 ZINC001170900449 972066388 /nfs/dbraw/zinc/06/63/88/972066388.db2.gz LJENWUIYJSNAOR-JOYOIKCWSA-N 2 3 222.336 1.142 20 0 BDADHP C[NH2+]C1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246091883 972145199 /nfs/dbraw/zinc/14/51/99/972145199.db2.gz QWXUKRBGTFAGBA-WXRRBKDZSA-N 2 3 225.380 1.249 20 0 BDADHP CCC1(C[NH2+][C@H]2CCN[C@@H](C)C2)CC[NH2+]CC1 ZINC001246420164 972313757 /nfs/dbraw/zinc/31/37/57/972313757.db2.gz FQMRAZIGXGRGEM-STQMWFEESA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)CCN1 ZINC001246494099 972351441 /nfs/dbraw/zinc/35/14/41/972351441.db2.gz HJNSJLOKCBAMGR-KBHBFKLGSA-N 2 3 237.391 1.249 20 0 BDADHP [NH3+]C12CC(C[N@@H+]3CCC[C@]34CCCNC4)(C1)C2 ZINC001222231135 972415990 /nfs/dbraw/zinc/41/59/90/972415990.db2.gz JPVHNDUHMKXIKO-RUXDESIVSA-N 2 3 235.375 1.086 20 0 BDADHP [NH3+]C12CC(C[N@H+]3CCC[C@]34CCCNC4)(C1)C2 ZINC001222231135 972415994 /nfs/dbraw/zinc/41/59/94/972415994.db2.gz JPVHNDUHMKXIKO-RUXDESIVSA-N 2 3 235.375 1.086 20 0 BDADHP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@](C)(N)C2)CC1 ZINC001204763931 967151937 /nfs/dbraw/zinc/15/19/37/967151937.db2.gz TZDPZFWYUHCMCF-CYBMUJFWSA-N 2 3 225.380 1.141 20 0 BDADHP C[NH+]1CCC(C)(C[N@H+]2CC[C@@](C)(N)C2)CC1 ZINC001204763931 967151944 /nfs/dbraw/zinc/15/19/44/967151944.db2.gz TZDPZFWYUHCMCF-CYBMUJFWSA-N 2 3 225.380 1.141 20 0 BDADHP C[C@]1(N)CC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001204763937 967155708 /nfs/dbraw/zinc/15/57/08/967155708.db2.gz TZSNILUGZIQIGP-ZDUSSCGKSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@]1(N)CC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001204763937 967155717 /nfs/dbraw/zinc/15/57/17/967155717.db2.gz TZSNILUGZIQIGP-ZDUSSCGKSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@H](CN)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715581371 967192793 /nfs/dbraw/zinc/19/27/93/967192793.db2.gz RQRJVFGABCAXHU-VOMCLLRMSA-N 2 3 213.369 1.044 20 0 BDADHP C[C@@]1(N)CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001204939834 967243943 /nfs/dbraw/zinc/24/39/43/967243943.db2.gz UTSONOVLJWRODB-CYBMUJFWSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@H]1CC[C@@H](CN)[N@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001205842930 967852099 /nfs/dbraw/zinc/85/20/99/967852099.db2.gz PYDJZYVCCLWSPM-DOMZBBRYSA-N 2 3 247.386 1.705 20 0 BDADHP C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001205842930 967852100 /nfs/dbraw/zinc/85/21/00/967852100.db2.gz PYDJZYVCCLWSPM-DOMZBBRYSA-N 2 3 247.386 1.705 20 0 BDADHP [NH3+]CCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC001332879381 975303307 /nfs/dbraw/zinc/30/33/07/975303307.db2.gz QLENHXCTNFZNKS-KGLIPLIRSA-N 2 3 239.407 1.483 20 0 BDADHP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3CC[C@]3(N)C2)CC1 ZINC001235980964 979259875 /nfs/dbraw/zinc/25/98/75/979259875.db2.gz SQOCATRWCNZMMI-OCCSQVGLSA-N 2 3 237.391 1.141 20 0 BDADHP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3CC[C@]3(N)C2)CC1 ZINC001235980964 979259883 /nfs/dbraw/zinc/25/98/83/979259883.db2.gz SQOCATRWCNZMMI-OCCSQVGLSA-N 2 3 237.391 1.141 20 0 BDADHP C(N[C@@H]1CCCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC001246185671 987560868 /nfs/dbraw/zinc/56/08/68/987560868.db2.gz VHWWHQJLTNJYIE-CHWSQXEVSA-N 2 3 237.391 1.108 20 0 BDADHP N[C@H]1C[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246188191 987570864 /nfs/dbraw/zinc/57/08/64/987570864.db2.gz IBKCHVWZMNCZRA-AULYBMBSSA-N 2 3 237.391 1.378 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246207995 987602833 /nfs/dbraw/zinc/60/28/33/987602833.db2.gz ZTXZGTVCQIOMQC-SYQHCUMBSA-N 2 3 239.407 1.482 20 0 BDADHP CCC[NH2+]CCN[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246269830 987667572 /nfs/dbraw/zinc/66/75/72/987667572.db2.gz LLJFTNVBBTWYOM-ZIAGYGMSSA-N 2 3 239.407 1.498 20 0 BDADHP CC[NH2+]CCN[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246274645 987669509 /nfs/dbraw/zinc/66/95/09/987669509.db2.gz YUMVPKSWZIBOFI-CHWSQXEVSA-N 2 3 225.380 1.108 20 0 BDADHP CCC1(CN[C@@H]2CCCC[NH2+]C2)CC[NH2+]CC1 ZINC001246421827 987796563 /nfs/dbraw/zinc/79/65/63/987796563.db2.gz IRHHVNUXSIGLPS-CYBMUJFWSA-N 2 3 239.407 1.498 20 0 BDADHP [NH3+]C[C@@H]1CCC[C@H](CN[C@@H]2CCCC[NH2+]C2)C1 ZINC001246450424 987808538 /nfs/dbraw/zinc/80/85/38/987808538.db2.gz QWDRIOMWAWBWCP-HZSPNIEDSA-N 2 3 239.407 1.483 20 0 BDADHP CN[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246459352 987817603 /nfs/dbraw/zinc/81/76/03/987817603.db2.gz FXTBPYYMBAUWPP-XDQVBPFNSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C[NH3+])cc2)CCN1 ZINC001246482708 987841709 /nfs/dbraw/zinc/84/17/09/987841709.db2.gz IHSPDFSRKVRREO-DOMZBBRYSA-N 2 3 247.386 1.418 20 0 BDADHP CN[C@H]1C[C@@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246495376 987851254 /nfs/dbraw/zinc/85/12/54/987851254.db2.gz JHFGTWPZAPNJEN-RWMBFGLXSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@H]1CC[C@@H](NC2(C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246501709 987855836 /nfs/dbraw/zinc/85/58/36/987855836.db2.gz CCYAZBQQDHXSKY-WCQYABFASA-N 2 3 237.391 1.249 20 0 BDADHP C[NH2+]C1CCC(N[C@H](C[NH3+])c2ccccc2)CC1 ZINC001246508275 987862048 /nfs/dbraw/zinc/86/20/48/987862048.db2.gz UAEQDUFBGXQWIX-YMAMQOFZSA-N 2 3 247.386 1.807 20 0 BDADHP CN1CCC[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546837 987932003 /nfs/dbraw/zinc/93/20/03/987932003.db2.gz ATXGFRVJFFJRQU-KGLIPLIRSA-N 2 3 239.407 1.674 20 0 BDADHP CN1CCC[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546837 987932017 /nfs/dbraw/zinc/93/20/17/987932017.db2.gz ATXGFRVJFFJRQU-KGLIPLIRSA-N 2 3 239.407 1.674 20 0 BDADHP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCN1 ZINC001246563936 988012191 /nfs/dbraw/zinc/01/21/91/988012191.db2.gz YHIVVAFXSXOVBQ-RQJABVFESA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCN1 ZINC001246563936 988012211 /nfs/dbraw/zinc/01/22/11/988012211.db2.gz YHIVVAFXSXOVBQ-RQJABVFESA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCN1 ZINC001246704417 988447914 /nfs/dbraw/zinc/44/79/14/988447914.db2.gz VKRNDHKLQPBMHG-CRWXNKLISA-N 2 3 237.391 1.010 20 0 BDADHP C[C@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCN1 ZINC001246704417 988447920 /nfs/dbraw/zinc/44/79/20/988447920.db2.gz VKRNDHKLQPBMHG-CRWXNKLISA-N 2 3 237.391 1.010 20 0 BDADHP C[C@H]1C[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CCN1 ZINC001246704417 988447924 /nfs/dbraw/zinc/44/79/24/988447924.db2.gz VKRNDHKLQPBMHG-CRWXNKLISA-N 2 3 237.391 1.010 20 0 BDADHP C[C@H]1C[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CCN1 ZINC001246704417 988447928 /nfs/dbraw/zinc/44/79/28/988447928.db2.gz VKRNDHKLQPBMHG-CRWXNKLISA-N 2 3 237.391 1.010 20 0 BDADHP CCCC[C@@H]1C[C@@H]([N@H+](C)CCCC[NH3+])CCN1 ZINC001246890655 988660252 /nfs/dbraw/zinc/66/02/52/988660252.db2.gz KOJBIFPXMJDURB-KGLIPLIRSA-N 2 3 241.423 1.968 20 0 BDADHP CCCC[C@@H]1C[C@@H]([N@@H+](C)CCCC[NH3+])CCN1 ZINC001246890655 988660259 /nfs/dbraw/zinc/66/02/59/988660259.db2.gz KOJBIFPXMJDURB-KGLIPLIRSA-N 2 3 241.423 1.968 20 0 BDADHP C[NH2+]C1CCC([N@H+](C)[C@@H]2CCN[C@H](C)C2)CC1 ZINC001246917563 988715373 /nfs/dbraw/zinc/71/53/73/988715373.db2.gz KCHVGHPJXLJOJN-BLYZHGLHSA-N 2 3 239.407 1.589 20 0 BDADHP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCN[C@H](C)C2)CC1 ZINC001246917563 988715380 /nfs/dbraw/zinc/71/53/80/988715380.db2.gz KCHVGHPJXLJOJN-BLYZHGLHSA-N 2 3 239.407 1.589 20 0 BDADHP CC1(C)CNCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000634733575 344113984 /nfs/dbraw/zinc/11/39/84/344113984.db2.gz IVAVIEFTWXKPSE-WXRRBKDZSA-N 2 3 239.407 1.624 20 0 BDADHP C[C@@H]1C[C@H](CN2C[C@@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC000622004227 344182104 /nfs/dbraw/zinc/18/21/04/344182104.db2.gz MCEAGRRZZKZLQH-YIYPIFLZSA-N 2 3 237.391 1.188 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000093215624 344312324 /nfs/dbraw/zinc/31/23/24/344312324.db2.gz LDTUMMJGFJDURF-UONOGXRCSA-N 2 3 239.407 1.578 20 0 BDADHP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000583441417 344966650 /nfs/dbraw/zinc/96/66/50/344966650.db2.gz APSBHRFSQJJWBK-ZIAGYGMSSA-N 2 3 233.359 1.362 20 0 BDADHP CC[NH2+]CC1CC[NH+](C[C@H](CN)C(C)C)CC1 ZINC000634991498 345177418 /nfs/dbraw/zinc/17/74/18/345177418.db2.gz GWNUMIKLROMABR-AWEZNQCLSA-N 2 3 241.423 1.539 20 0 BDADHP CC(C)[C@@H](C[NH3+])CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000634994979 345183452 /nfs/dbraw/zinc/18/34/52/345183452.db2.gz RKKAVXOSEUVORA-MJBXVCDLSA-N 2 3 239.407 1.149 20 0 BDADHP CC(C)[C@@H](CN)C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000634995509 345185320 /nfs/dbraw/zinc/18/53/20/345185320.db2.gz HBLVSMJYWKPWDD-QWHCGFSZSA-N 2 3 227.396 1.339 20 0 BDADHP CC(C)[C@H](CN)C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000634995508 345185471 /nfs/dbraw/zinc/18/54/71/345185471.db2.gz HBLVSMJYWKPWDD-OLZOCXBDSA-N 2 3 227.396 1.339 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003325 345206166 /nfs/dbraw/zinc/20/61/66/345206166.db2.gz CBNMNGQPVRGRQL-SYQHCUMBSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635004717 345208669 /nfs/dbraw/zinc/20/86/69/345208669.db2.gz DSTLYXCGVLFLHG-STQMWFEESA-N 2 3 241.423 1.872 20 0 BDADHP C[C@]1(C[NH2+]C2CCC(C[NH3+])CC2)CCCNC1 ZINC000414917957 352272586 /nfs/dbraw/zinc/27/25/86/352272586.db2.gz SREODRRUYKEHSB-RUXDESIVSA-N 2 3 239.407 1.483 20 0 BDADHP CC(C)(N)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334689325 354477527 /nfs/dbraw/zinc/47/75/27/354477527.db2.gz YKWUTKWBPGAHDQ-LBPRGKRZSA-N 2 3 225.380 1.188 20 0 BDADHP CC(C)[C@@H]([NH3+])CCN(C)CC[C@@H]1CCC[NH2+]C1 ZINC000420283599 192199185 /nfs/dbraw/zinc/19/91/85/192199185.db2.gz CHMLUMYJPJWNSA-KBPBESRZSA-N 2 3 241.423 1.681 20 0 BDADHP C[C@@H]1C[C@H](CN)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420322059 192228401 /nfs/dbraw/zinc/22/84/01/192228401.db2.gz RXXLKYPLOZHKJC-JHJVBQTASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@H](CN)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420322059 192228403 /nfs/dbraw/zinc/22/84/03/192228403.db2.gz RXXLKYPLOZHKJC-JHJVBQTASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000578348581 366532874 /nfs/dbraw/zinc/53/28/74/366532874.db2.gz AHSYPFYPJULYFM-XUXIUFHCSA-N 2 3 239.407 1.624 20 0 BDADHP CC[C@@H](NCCCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000423330010 192711896 /nfs/dbraw/zinc/71/18/96/192711896.db2.gz PJPXOCRSQJRROR-NEPJUHHUSA-N 2 3 213.369 1.236 20 0 BDADHP C1CC2(C1)NCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629512105 361105724 /nfs/dbraw/zinc/10/57/24/361105724.db2.gz ALCOHNMKHTXNPE-RQJABVFESA-N 2 3 249.402 1.249 20 0 BDADHP CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000629526250 361128394 /nfs/dbraw/zinc/12/83/94/361128394.db2.gz OAWPEPPYADSOLP-KWCYVHTRSA-N 2 3 239.407 1.447 20 0 BDADHP [NH3+][C@H]1C[C@@H](NC2CCC([NH3+])CC2)c2ccccc21 ZINC000132086154 181342529 /nfs/dbraw/zinc/34/25/29/181342529.db2.gz BIWBCXLRUHKBDH-RLNQVHQUSA-N 2 3 245.370 1.991 20 0 BDADHP C[C@H](NCC1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000386039352 367901743 /nfs/dbraw/zinc/90/17/43/367901743.db2.gz SJVKPKYWFFFOCI-GXTWGEPZSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@H](NCC1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386039353 367901943 /nfs/dbraw/zinc/90/19/43/367901943.db2.gz SJVKPKYWFFFOCI-JSGCOSHPSA-N 2 3 239.407 1.448 20 0 BDADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000518515548 383973421 /nfs/dbraw/zinc/97/34/21/383973421.db2.gz BSVGLIXLEWNVFT-RJZJGCCBSA-N 2 3 239.407 1.719 20 0 BDADHP C[C@@H]1C[C@H](CN2CCC(C)([NH3+])CC2)CC[NH2+]1 ZINC000647531015 384622133 /nfs/dbraw/zinc/62/21/33/384622133.db2.gz WDAHRSOYJDOWSC-VXGBXAGGSA-N 2 3 225.380 1.188 20 0 BDADHP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@@H]3CCCNCC3)C[C@@H]12 ZINC000647547077 384736555 /nfs/dbraw/zinc/73/65/55/384736555.db2.gz MPQZVKWPMLBTQB-XJFOESAGSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@H](CCCC[NH3+])N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647547179 384738069 /nfs/dbraw/zinc/73/80/69/384738069.db2.gz PZALJPALUJBDJS-QJPTWQEYSA-N 2 3 213.369 1.092 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647552138 384756459 /nfs/dbraw/zinc/75/64/59/384756459.db2.gz HSDGJLKUXYTGKC-IEECTRCBSA-N 2 3 225.380 1.090 20 0 BDADHP CC(C)NCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647799194 385796217 /nfs/dbraw/zinc/79/62/17/385796217.db2.gz AIZDIJSYFWTCNP-BFHYXJOUSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647905008 386583040 /nfs/dbraw/zinc/58/30/40/386583040.db2.gz DBJUDPFTICWRPT-OCCSQVGLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1C[C@@H](CN)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647905008 386583044 /nfs/dbraw/zinc/58/30/44/386583044.db2.gz DBJUDPFTICWRPT-OCCSQVGLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](C[C@H]1CCC[NH2+]1)NCC[C@@H]1CCC[NH2+]C1 ZINC000414834228 386723897 /nfs/dbraw/zinc/72/38/97/386723897.db2.gz HDFGLKNIZARGRH-HZSPNIEDSA-N 2 3 239.407 1.496 20 0 BDADHP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCCNCC1 ZINC000359224164 387069209 /nfs/dbraw/zinc/06/92/09/387069209.db2.gz RJGFAPJRCWNZKX-AWEZNQCLSA-N 2 3 239.407 1.450 20 0 BDADHP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCCNCC1 ZINC000359224164 387069212 /nfs/dbraw/zinc/06/92/12/387069212.db2.gz RJGFAPJRCWNZKX-AWEZNQCLSA-N 2 3 239.407 1.450 20 0 BDADHP C(CN1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC000334994007 387084505 /nfs/dbraw/zinc/08/45/05/387084505.db2.gz REJSFCLWXLZLOX-ZIAGYGMSSA-N 2 3 237.391 1.062 20 0 BDADHP C[C@@H](N[C@@H](C)CCCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000423427129 387252623 /nfs/dbraw/zinc/25/26/23/387252623.db2.gz IEIXUYWTQBLZTN-XQQFMLRXSA-N 2 3 227.396 1.624 20 0 BDADHP CC[C@H](N[C@@H](C)CCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423430522 387264319 /nfs/dbraw/zinc/26/43/19/387264319.db2.gz KZASDHNGOMUQMS-AVGNSLFASA-N 2 3 227.396 1.624 20 0 BDADHP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H]1CCCN1 ZINC000423430522 387264321 /nfs/dbraw/zinc/26/43/21/387264321.db2.gz KZASDHNGOMUQMS-AVGNSLFASA-N 2 3 227.396 1.624 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000422832850 387725588 /nfs/dbraw/zinc/72/55/88/387725588.db2.gz GHOGTYFOHSXTLS-MGPQQGTHSA-N 2 3 241.423 1.966 20 0 BDADHP CCCN1CC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422977708 387790034 /nfs/dbraw/zinc/79/00/34/387790034.db2.gz XJIWVLMPDUTPRE-KGLIPLIRSA-N 2 3 241.423 1.825 20 0 BDADHP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)CN1CCCC1 ZINC000423082746 387879030 /nfs/dbraw/zinc/87/90/30/387879030.db2.gz XFXARMOWBRYURX-ZDUSSCGKSA-N 2 3 241.423 1.825 20 0 BDADHP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1CN)C1CC1 ZINC000423163836 387923267 /nfs/dbraw/zinc/92/32/67/387923267.db2.gz NPAMZXZWMOLLCO-TZMCWYRMSA-N 2 3 239.407 1.578 20 0 BDADHP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1CN)C1CC1 ZINC000423163836 387923270 /nfs/dbraw/zinc/92/32/70/387923270.db2.gz NPAMZXZWMOLLCO-TZMCWYRMSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000423289481 388075156 /nfs/dbraw/zinc/07/51/56/388075156.db2.gz BBOTUQGKDZQYGI-LEWSCRJBSA-N 2 3 233.359 1.676 20 0 BDADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423293265 388075718 /nfs/dbraw/zinc/07/57/18/388075718.db2.gz QPPQKBYMLODHOP-NILFDRSVSA-N 2 3 247.386 1.923 20 0 BDADHP C[C@H](NC1CCC([NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000333286312 388101287 /nfs/dbraw/zinc/10/12/87/388101287.db2.gz NKBQXYZOLQSCIT-YWPUVAFDSA-N 2 3 225.380 1.377 20 0 BDADHP [NH3+][C@H]1C[C@H](NCC2CC[NH2+]CC2)c2ccccc21 ZINC000516921188 388524372 /nfs/dbraw/zinc/52/43/72/388524372.db2.gz JHULSIHMJJOJQI-GJZGRUSLSA-N 2 3 245.370 1.720 20 0 BDADHP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000250830242 135059745 /nfs/dbraw/zinc/05/97/45/135059745.db2.gz ITWKJRLLQNGQDL-BFHYXJOUSA-N 2 3 239.407 1.626 20 0 BDADHP C[NH2+]CCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261991605 135269636 /nfs/dbraw/zinc/26/96/36/135269636.db2.gz MGTOKINDAAJDKX-CQSZACIVSA-N 2 3 239.407 1.308 20 0 BDADHP C[NH2+]CCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000261991605 135269637 /nfs/dbraw/zinc/26/96/37/135269637.db2.gz MGTOKINDAAJDKX-CQSZACIVSA-N 2 3 239.407 1.308 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335568337 136108129 /nfs/dbraw/zinc/10/81/29/136108129.db2.gz KCCSQLSVAIEJQQ-OLZOCXBDSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@@H](C[C@H]1CCC[NH2+]1)NCCC1(C[NH3+])CC1 ZINC000650714105 410347520 /nfs/dbraw/zinc/34/75/20/410347520.db2.gz RLSNTVSNMKKYFD-NWDGAFQWSA-N 2 3 225.380 1.236 20 0 BDADHP CC[C@@H](NCCC1(C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000650747771 410387614 /nfs/dbraw/zinc/38/76/14/410387614.db2.gz HJKCDSVYAUFIJZ-NEPJUHHUSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@@H](NCCC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000650762013 410409777 /nfs/dbraw/zinc/40/97/77/410409777.db2.gz QBHNGWLGQXIFGS-TZMCWYRMSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H]1C[C@H](CN2CC[C@@H]([NH3+])C[C@H]2C)CC[NH2+]1 ZINC000653279855 410631435 /nfs/dbraw/zinc/63/14/35/410631435.db2.gz BQQMLXJAAUAUGX-FDYHWXHSSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](N)C[C@H]2C)CC[NH2+]1 ZINC000653279855 410631438 /nfs/dbraw/zinc/63/14/38/410631438.db2.gz BQQMLXJAAUAUGX-FDYHWXHSSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](N)C[C@H]2C)CC[NH2+]1 ZINC000653279855 410631446 /nfs/dbraw/zinc/63/14/46/410631446.db2.gz BQQMLXJAAUAUGX-FDYHWXHSSA-N 2 3 225.380 1.186 20 0 BDADHP CN1CC=C(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401005396 411169322 /nfs/dbraw/zinc/16/93/22/411169322.db2.gz BMNFXPDMDCKPOW-SOUVJXGZSA-N 2 3 249.402 1.226 20 0 BDADHP C[C@@H]1CN(CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000335759065 176288467 /nfs/dbraw/zinc/28/84/67/176288467.db2.gz UOSNEHHBHCYMAP-YPMHNXCESA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1N ZINC000335759065 176288469 /nfs/dbraw/zinc/28/84/69/176288469.db2.gz UOSNEHHBHCYMAP-YPMHNXCESA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1N ZINC000335759065 176288470 /nfs/dbraw/zinc/28/84/70/176288470.db2.gz UOSNEHHBHCYMAP-YPMHNXCESA-N 2 3 225.380 1.045 20 0 BDADHP CC[NH2+]CC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261772807 535458475 /nfs/dbraw/zinc/45/84/75/535458475.db2.gz MVQRQPHOYSXRKS-AWEZNQCLSA-N 2 3 239.407 1.308 20 0 BDADHP C[C@H]([NH2+][C@H]1CNCC1(C)C)C1CC[NH+](C)CC1 ZINC000902449078 584605360 /nfs/dbraw/zinc/60/53/60/584605360.db2.gz LUZDHJHXEXDGDO-AAEUAGOBSA-N 2 3 239.407 1.304 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CN(C)C1CCC([NH3+])CC1 ZINC000903425046 584765259 /nfs/dbraw/zinc/76/52/59/584765259.db2.gz POVRVTSDEIYSEQ-IALDZJHCSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1CN ZINC000903458837 584766104 /nfs/dbraw/zinc/76/61/04/584766104.db2.gz LIJZXANOKKIXBT-RNJOBUHISA-N 2 3 225.380 1.031 20 0 BDADHP C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1CN ZINC000903458837 584766105 /nfs/dbraw/zinc/76/61/05/584766105.db2.gz LIJZXANOKKIXBT-RNJOBUHISA-N 2 3 225.380 1.031 20 0 BDADHP C[C@H]1CCN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000903458837 584766106 /nfs/dbraw/zinc/76/61/06/584766106.db2.gz LIJZXANOKKIXBT-RNJOBUHISA-N 2 3 225.380 1.031 20 0 BDADHP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000903470277 584775014 /nfs/dbraw/zinc/77/50/14/584775014.db2.gz JODDAMCSWDAFAW-CYBMUJFWSA-N 2 3 237.391 1.250 20 0 BDADHP C[C@@H]([NH3+])C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903716534 584791858 /nfs/dbraw/zinc/79/18/58/584791858.db2.gz OKWDHEQLSKXZFQ-CHWSQXEVSA-N 2 3 239.407 1.435 20 0 BDADHP N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000903843355 584807716 /nfs/dbraw/zinc/80/77/16/584807716.db2.gz JHKZCCAJYBOERI-RFGFWPKPSA-N 2 3 237.391 1.188 20 0 BDADHP N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000903843355 584807717 /nfs/dbraw/zinc/80/77/17/584807717.db2.gz JHKZCCAJYBOERI-RFGFWPKPSA-N 2 3 237.391 1.188 20 0 BDADHP C[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1[NH3+] ZINC000903873748 584816077 /nfs/dbraw/zinc/81/60/77/584816077.db2.gz MDMGLMMFRIVLEY-APYLGABCSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1N ZINC000903873748 584816079 /nfs/dbraw/zinc/81/60/79/584816079.db2.gz MDMGLMMFRIVLEY-APYLGABCSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1N ZINC000903873748 584816080 /nfs/dbraw/zinc/81/60/80/584816080.db2.gz MDMGLMMFRIVLEY-APYLGABCSA-N 2 3 237.391 1.186 20 0 BDADHP NC[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873901 584816203 /nfs/dbraw/zinc/81/62/03/584816203.db2.gz NURKZVFAPRPYIA-FUDCBSFHSA-N 2 3 237.391 1.188 20 0 BDADHP NC[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873901 584816204 /nfs/dbraw/zinc/81/62/04/584816204.db2.gz NURKZVFAPRPYIA-FUDCBSFHSA-N 2 3 237.391 1.188 20 0 BDADHP [NH3+]C[C@@H]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873901 584816205 /nfs/dbraw/zinc/81/62/05/584816205.db2.gz NURKZVFAPRPYIA-FUDCBSFHSA-N 2 3 237.391 1.188 20 0 BDADHP CC1(C)NCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918824 584823052 /nfs/dbraw/zinc/82/30/52/584823052.db2.gz IVSLMSVUIMXKMZ-PSEXLTFBSA-N 2 3 237.391 1.247 20 0 BDADHP CC(C)(N)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000903939321 584824834 /nfs/dbraw/zinc/82/48/34/584824834.db2.gz FXMYSQRDVIPFCA-IJLUTSLNSA-N 2 3 225.380 1.092 20 0 BDADHP C[C@H](C[C@@H]1CCC[NH2+]1)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979018 584833257 /nfs/dbraw/zinc/83/32/57/584833257.db2.gz RZIAADFTDCUTET-SYQHCUMBSA-N 2 3 239.407 1.352 20 0 BDADHP CN(C)[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904341795 584867200 /nfs/dbraw/zinc/86/72/00/584867200.db2.gz WBYCLVDSBDGGLB-FRRDWIJNSA-N 2 3 225.380 1.140 20 0 BDADHP CN(C)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904341795 584867201 /nfs/dbraw/zinc/86/72/01/584867201.db2.gz WBYCLVDSBDGGLB-FRRDWIJNSA-N 2 3 225.380 1.140 20 0 BDADHP C[NH+](C)[C@@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904341795 584867202 /nfs/dbraw/zinc/86/72/02/584867202.db2.gz WBYCLVDSBDGGLB-FRRDWIJNSA-N 2 3 225.380 1.140 20 0 BDADHP C[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCNC1 ZINC000904354161 584870206 /nfs/dbraw/zinc/87/02/06/584870206.db2.gz BQWGAUMCYFPITL-RYUDHWBXSA-N 2 3 213.369 1.093 20 0 BDADHP C[C@]1(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)CCCNC1 ZINC000904355618 584871297 /nfs/dbraw/zinc/87/12/97/584871297.db2.gz UWHQHEUYQXNNAM-XQQFMLRXSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@]1(CN2CCC(CC[NH3+])CC2)CCC[NH2+]C1 ZINC000904375586 584875589 /nfs/dbraw/zinc/87/55/89/584875589.db2.gz CGNXYSYUSRREFF-AWEZNQCLSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@]1(C[NH+]2CCC(CC[NH3+])CC2)CCCNC1 ZINC000904375586 584875590 /nfs/dbraw/zinc/87/55/90/584875590.db2.gz CGNXYSYUSRREFF-AWEZNQCLSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000904410604 584879105 /nfs/dbraw/zinc/87/91/05/584879105.db2.gz PPAIRWRQTKHFHN-MGPQQGTHSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1C[N@H+](C[C@]2(C)CCCNC2)CC[C@@H]1C[NH3+] ZINC000904410604 584879106 /nfs/dbraw/zinc/87/91/06/584879106.db2.gz PPAIRWRQTKHFHN-MGPQQGTHSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1C[N@@H+](C[C@]2(C)CCCNC2)CC[C@@H]1C[NH3+] ZINC000904410604 584879107 /nfs/dbraw/zinc/87/91/07/584879107.db2.gz PPAIRWRQTKHFHN-MGPQQGTHSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H](C[C@H]1CCC[NH2+]1)NCCCCCC[NH3+] ZINC000843128429 588085165 /nfs/dbraw/zinc/08/51/65/588085165.db2.gz JHUCHZISHXIPPF-QWHCGFSZSA-N 2 3 227.396 1.626 20 0 BDADHP C[NH2+]C[C@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846213895 588260383 /nfs/dbraw/zinc/26/03/83/588260383.db2.gz DMRZKGIFNRUGNA-CYBMUJFWSA-N 2 3 227.396 1.437 20 0 BDADHP CCN(C)C[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846220871 588261279 /nfs/dbraw/zinc/26/12/79/588261279.db2.gz WWOIXXHTJAPBQS-CQSZACIVSA-N 2 3 241.423 1.779 20 0 BDADHP CCN(C)C[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220871 588261280 /nfs/dbraw/zinc/26/12/80/588261280.db2.gz WWOIXXHTJAPBQS-CQSZACIVSA-N 2 3 241.423 1.779 20 0 BDADHP CC[N@H+](C)C[C@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220871 588261281 /nfs/dbraw/zinc/26/12/81/588261281.db2.gz WWOIXXHTJAPBQS-CQSZACIVSA-N 2 3 241.423 1.779 20 0 BDADHP CC[N@@H+](C)C[C@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220871 588261282 /nfs/dbraw/zinc/26/12/82/588261282.db2.gz WWOIXXHTJAPBQS-CQSZACIVSA-N 2 3 241.423 1.779 20 0 BDADHP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc2c1CCNC2 ZINC000873234929 590004790 /nfs/dbraw/zinc/00/47/90/590004790.db2.gz HKEHZOTXXCGHPJ-LBPRGKRZSA-N 2 3 247.386 1.549 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000873246352 590006698 /nfs/dbraw/zinc/00/66/98/590006698.db2.gz YHCBCPKTRRLLQB-NEPJUHHUSA-N 2 3 227.396 1.482 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260768 590013461 /nfs/dbraw/zinc/01/34/61/590013461.db2.gz HEUSOYQSSNRJDB-PEBLQZBPSA-N 2 3 237.391 1.377 20 0 BDADHP C[C@H](CCCC[NH3+])N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925704287 634384481 /nfs/dbraw/zinc/38/44/81/634384481.db2.gz FQHFFUZFLDUYKG-QQOHENMQSA-N 2 3 237.391 1.090 20 0 BDADHP NC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879959 646529820 /nfs/dbraw/zinc/52/98/20/646529820.db2.gz NBGKTBJHKBMNDR-NDBYEHHHSA-N 2 3 225.380 1.221 20 0 BDADHP C1CC12CNC[C@H]2[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246131370 972188927 /nfs/dbraw/zinc/18/89/27/972188927.db2.gz JNRLLFPVMWIBPQ-BFHYXJOUSA-N 2 3 249.402 1.250 20 0 BDADHP C[C@H]1CC[C@H](NCCC2CC[NH+](C)CC2)C[NH2+]1 ZINC000399005457 958483500 /nfs/dbraw/zinc/48/35/00/958483500.db2.gz XMDMTBXMPKCQHN-JSGCOSHPSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)CCN1 ZINC001246494093 972351388 /nfs/dbraw/zinc/35/13/88/972351388.db2.gz HJNSJLOKCBAMGR-FEPKRQSRSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@H]1C[C@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246503894 972363217 /nfs/dbraw/zinc/36/32/17/972363217.db2.gz MRRDMKAQJPYEOZ-WCQYABFASA-N 2 3 237.391 1.249 20 0 BDADHP N[C@@H]1CCC[N@H+](CCCCCC[NH3+])CC1 ZINC001205095029 965734957 /nfs/dbraw/zinc/73/49/57/965734957.db2.gz SXRVMYWSABDGPY-GFCCVEGCSA-N 2 3 213.369 1.319 20 0 BDADHP N[C@@H]1CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC001205095029 965734968 /nfs/dbraw/zinc/73/49/68/965734968.db2.gz SXRVMYWSABDGPY-GFCCVEGCSA-N 2 3 213.369 1.319 20 0 BDADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903033 967881070 /nfs/dbraw/zinc/88/10/70/967881070.db2.gz NDRCOINVFWPWEK-OLZOCXBDSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1[C@H](CN)CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903033 967881072 /nfs/dbraw/zinc/88/10/72/967881072.db2.gz NDRCOINVFWPWEK-OLZOCXBDSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCN1 ZINC000379994764 969148648 /nfs/dbraw/zinc/14/86/48/969148648.db2.gz VKRNDHKLQPBMHG-YIYPIFLZSA-N 2 3 237.391 1.010 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCN1 ZINC000379994764 969148653 /nfs/dbraw/zinc/14/86/53/969148653.db2.gz VKRNDHKLQPBMHG-YIYPIFLZSA-N 2 3 237.391 1.010 20 0 BDADHP C[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CCN1 ZINC000379994764 969148657 /nfs/dbraw/zinc/14/86/57/969148657.db2.gz VKRNDHKLQPBMHG-YIYPIFLZSA-N 2 3 237.391 1.010 20 0 BDADHP C[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CCN1 ZINC000379994764 969148660 /nfs/dbraw/zinc/14/86/60/969148660.db2.gz VKRNDHKLQPBMHG-YIYPIFLZSA-N 2 3 237.391 1.010 20 0 BDADHP C[N@@H+]1CCC[C@@H](CN2CCC(F)(C[NH3+])CC2)C1 ZINC001222528593 972549366 /nfs/dbraw/zinc/54/93/66/972549366.db2.gz XRSLGYYVXXYWBM-GFCCVEGCSA-N 2 3 243.370 1.091 20 0 BDADHP C[N@H+]1CCC[C@@H](CN2CCC(F)(C[NH3+])CC2)C1 ZINC001222528593 972549373 /nfs/dbraw/zinc/54/93/73/972549373.db2.gz XRSLGYYVXXYWBM-GFCCVEGCSA-N 2 3 243.370 1.091 20 0 BDADHP CC[C@@H](N)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234501 979004082 /nfs/dbraw/zinc/00/40/82/979004082.db2.gz YWTZWPAPNPPJLH-ZIAGYGMSSA-N 2 3 239.407 1.578 20 0 BDADHP CN1CCCC[C@@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001578529049 985157490 /nfs/dbraw/zinc/15/74/90/985157490.db2.gz PGBAEYKBQYTTGT-RJZJGCCBSA-N 2 3 237.391 1.188 20 0 BDADHP NC[C@H]1CCCC[N@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001206606468 985925104 /nfs/dbraw/zinc/92/51/04/985925104.db2.gz NUUCLNBWFJTBNH-IYXRBSQSSA-N 2 3 237.391 1.319 20 0 BDADHP NC[C@H]1CCCC[N@@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001206606468 985925114 /nfs/dbraw/zinc/92/51/14/985925114.db2.gz NUUCLNBWFJTBNH-IYXRBSQSSA-N 2 3 237.391 1.319 20 0 BDADHP C[C@@H]1CC[C@@H](NCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105431 987433941 /nfs/dbraw/zinc/43/39/41/987433941.db2.gz MMJQFBFHVIJOCJ-TZMCWYRMSA-N 2 3 239.407 1.496 20 0 BDADHP C[NH+](C)C1CCC([NH2+][C@H]2CNCC23CC3)CC1 ZINC001246129718 987475944 /nfs/dbraw/zinc/47/59/44/987475944.db2.gz HHFBZHFGMIDNNV-BPCQOVAHSA-N 2 3 237.391 1.201 20 0 BDADHP C[C@@H]1CC[C@@H](NCCCC[NH+]2CCCC2)C[NH2+]1 ZINC001246162355 987522685 /nfs/dbraw/zinc/52/26/85/987522685.db2.gz OZWGTRDCUMUHBX-ZIAGYGMSSA-N 2 3 239.407 1.593 20 0 BDADHP C[C@@H]1CC[C@H](NC[C@@H]2CC23CC[NH2+]CC3)C[NH2+]1 ZINC001246184485 987561980 /nfs/dbraw/zinc/56/19/80/987561980.db2.gz SKZLXBOEAFBPBA-AGIUHOORSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@@H](CCN)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246299379 987694571 /nfs/dbraw/zinc/69/45/71/987694571.db2.gz HRSAMOILZVUGEL-HSBZDZAISA-N 2 3 239.407 1.626 20 0 BDADHP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CCN1 ZINC001246461447 987819037 /nfs/dbraw/zinc/81/90/37/987819037.db2.gz IXQHHNKHHIOLSG-XDQVBPFNSA-N 2 3 239.407 1.589 20 0 BDADHP C[NH2+]C1CCC([N@@H+]2CCC[C@H](CN)[C@H]2C)CC1 ZINC001246564409 988020303 /nfs/dbraw/zinc/02/03/03/988020303.db2.gz NQFMRBMTKZWOAR-IWMBGFJWSA-N 2 3 239.407 1.576 20 0 BDADHP C[NH2+]C1CCC([N@H+]2CCC[C@H](CN)[C@H]2C)CC1 ZINC001246564409 988020317 /nfs/dbraw/zinc/02/03/17/988020317.db2.gz NQFMRBMTKZWOAR-IWMBGFJWSA-N 2 3 239.407 1.576 20 0 BDADHP C[C@H]1C[C@H](N2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246580757 988113351 /nfs/dbraw/zinc/11/33/51/988113351.db2.gz OPCZSBFMLVZYFK-WCQYABFASA-N 2 3 225.380 1.188 20 0 BDADHP C[C@H]1C[C@H]([NH+]2CCC(CC[NH3+])CC2)CCN1 ZINC001246580757 988113364 /nfs/dbraw/zinc/11/33/64/988113364.db2.gz OPCZSBFMLVZYFK-WCQYABFASA-N 2 3 225.380 1.188 20 0 BDADHP NC[C@@H]1CCCC[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593682 988178319 /nfs/dbraw/zinc/17/83/19/988178319.db2.gz NDVQYXUNTBPJQT-STQMWFEESA-N 2 3 237.391 1.189 20 0 BDADHP NC[C@@H]1CCCC[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593682 988178325 /nfs/dbraw/zinc/17/83/25/988178325.db2.gz NDVQYXUNTBPJQT-STQMWFEESA-N 2 3 237.391 1.189 20 0 BDADHP C1C[C@@H]2[C@@H](CCN2[C@@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]1 ZINC001246637219 988333657 /nfs/dbraw/zinc/33/36/57/988333657.db2.gz PNAYXLPNNQXTLN-MGPQQGTHSA-N 2 3 249.402 1.345 20 0 BDADHP C[C@H]1C[C@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCN1 ZINC001246704420 988449349 /nfs/dbraw/zinc/44/93/49/988449349.db2.gz VKRNDHKLQPBMHG-RFQIPJPRSA-N 2 3 237.391 1.010 20 0 BDADHP C[C@H]1C[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCN1 ZINC001246704420 988449357 /nfs/dbraw/zinc/44/93/57/988449357.db2.gz VKRNDHKLQPBMHG-RFQIPJPRSA-N 2 3 237.391 1.010 20 0 BDADHP C[C@H]1C[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CCN1 ZINC001246704420 988449361 /nfs/dbraw/zinc/44/93/61/988449361.db2.gz VKRNDHKLQPBMHG-RFQIPJPRSA-N 2 3 237.391 1.010 20 0 BDADHP C[C@H]1C[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CCN1 ZINC001246704420 988449364 /nfs/dbraw/zinc/44/93/64/988449364.db2.gz VKRNDHKLQPBMHG-RFQIPJPRSA-N 2 3 237.391 1.010 20 0 BDADHP C[C@@H]1C[C@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246914131 988704337 /nfs/dbraw/zinc/70/43/37/988704337.db2.gz ZGIIDMFQWOQJOS-FDYHWXHSSA-N 2 3 225.380 1.329 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246914131 988704357 /nfs/dbraw/zinc/70/43/57/988704357.db2.gz ZGIIDMFQWOQJOS-FDYHWXHSSA-N 2 3 225.380 1.329 20 0 BDADHP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1[C@@H]1CCCCNC1 ZINC001246928738 988744749 /nfs/dbraw/zinc/74/47/49/988744749.db2.gz BWFVBENMKAVRLQ-HZSPNIEDSA-N 2 3 237.391 1.060 20 0 BDADHP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1[C@@H]1CCCCNC1 ZINC001246928738 988744769 /nfs/dbraw/zinc/74/47/69/988744769.db2.gz BWFVBENMKAVRLQ-HZSPNIEDSA-N 2 3 237.391 1.060 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000634732820 344108220 /nfs/dbraw/zinc/10/82/20/344108220.db2.gz PQKBCFDHEYWBCT-ZDUSSCGKSA-N 2 3 239.407 1.354 20 0 BDADHP CC(C)[C@@H](CN)C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000634995510 345185333 /nfs/dbraw/zinc/18/53/33/345185333.db2.gz HBLVSMJYWKPWDD-STQMWFEESA-N 2 3 227.396 1.339 20 0 BDADHP CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCCNCC1 ZINC000420302708 192206195 /nfs/dbraw/zinc/20/61/95/192206195.db2.gz BVRJOYYUDDIPPR-KBPBESRZSA-N 2 3 239.407 1.450 20 0 BDADHP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCCNCC1 ZINC000420302708 192206196 /nfs/dbraw/zinc/20/61/96/192206196.db2.gz BVRJOYYUDDIPPR-KBPBESRZSA-N 2 3 239.407 1.450 20 0 BDADHP C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@H]1CN ZINC000420405392 192238875 /nfs/dbraw/zinc/23/88/75/192238875.db2.gz MTHYODRXRPYFTF-GXTWGEPZSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1CN ZINC000420405392 192238878 /nfs/dbraw/zinc/23/88/78/192238878.db2.gz MTHYODRXRPYFTF-GXTWGEPZSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@H]1CCN(CCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000420405392 192238879 /nfs/dbraw/zinc/23/88/79/192238879.db2.gz MTHYODRXRPYFTF-GXTWGEPZSA-N 2 3 239.407 1.293 20 0 BDADHP C1CC2(C1)NCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629512103 361106027 /nfs/dbraw/zinc/10/60/27/361106027.db2.gz ALCOHNMKHTXNPE-DGAVXFQQSA-N 2 3 249.402 1.249 20 0 BDADHP CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629528207 361133048 /nfs/dbraw/zinc/13/30/48/361133048.db2.gz SKTPEZBYDVJPEQ-XHJNMGKDSA-N 2 3 237.391 1.105 20 0 BDADHP CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629528204 361133056 /nfs/dbraw/zinc/13/30/56/361133056.db2.gz SKTPEZBYDVJPEQ-MQLXINIDSA-N 2 3 237.391 1.105 20 0 BDADHP CC[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000629655567 361560082 /nfs/dbraw/zinc/56/00/82/361560082.db2.gz ZTMOBAVEBBUPDG-QNWHQSFQSA-N 2 3 225.380 1.105 20 0 BDADHP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000086403736 368880218 /nfs/dbraw/zinc/88/02/18/368880218.db2.gz MMSLHJUZTVPHSI-OLZOCXBDSA-N 2 3 225.380 1.188 20 0 BDADHP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000518515549 383974417 /nfs/dbraw/zinc/97/44/17/383974417.db2.gz BSVGLIXLEWNVFT-ZIHBUVQPSA-N 2 3 239.407 1.719 20 0 BDADHP NCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543233 384713130 /nfs/dbraw/zinc/71/31/30/384713130.db2.gz JTMPWXFWGRHZDY-CHWSQXEVSA-N 2 3 225.380 1.047 20 0 BDADHP NCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543233 384713135 /nfs/dbraw/zinc/71/31/35/384713135.db2.gz JTMPWXFWGRHZDY-CHWSQXEVSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]CCCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543233 384713139 /nfs/dbraw/zinc/71/31/39/384713139.db2.gz JTMPWXFWGRHZDY-CHWSQXEVSA-N 2 3 225.380 1.047 20 0 BDADHP C(CNC1CC1)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547730 384749847 /nfs/dbraw/zinc/74/98/47/384749847.db2.gz ATUPVBFUWCKZCY-OUCADQQQSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@@H](CCC[NH3+])[NH2+]CCCN1CCCC[C@H]1C ZINC000336714524 385811173 /nfs/dbraw/zinc/81/11/73/385811173.db2.gz PCJAMCARSXPKSC-UONOGXRCSA-N 2 3 241.423 1.968 20 0 BDADHP CC1([NH3+])CCN(CCC2CC[NH2+]CC2)CC1 ZINC000647924807 385958808 /nfs/dbraw/zinc/95/88/08/385958808.db2.gz LMQQFJBROMWQAZ-UHFFFAOYSA-N 2 3 225.380 1.189 20 0 BDADHP CC[C@@H]1CN(CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647934504 386476087 /nfs/dbraw/zinc/47/60/87/386476087.db2.gz HKURNNKAVCNNPO-KGLIPLIRSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1N ZINC000647934504 386476094 /nfs/dbraw/zinc/47/60/94/386476094.db2.gz HKURNNKAVCNNPO-KGLIPLIRSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1N ZINC000647934504 386476099 /nfs/dbraw/zinc/47/60/99/386476099.db2.gz HKURNNKAVCNNPO-KGLIPLIRSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@H]2CCNC2(C)C)CC[NH2+]1 ZINC000415050439 386505620 /nfs/dbraw/zinc/50/56/20/386505620.db2.gz YRZWLMQEFDQTIA-UTUOFQBUSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H]1CC2(CN1CC(C)(C)[NH3+])CC[NH2+]CC2 ZINC000335544619 386730052 /nfs/dbraw/zinc/73/00/52/386730052.db2.gz ULRDTCGIGBOPBA-LLVKDONJSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@H](N[C@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000333883481 387071314 /nfs/dbraw/zinc/07/13/14/387071314.db2.gz WRMJQEVCFCZWLT-CYDGBPFRSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@@H](CCCC[NH3+])N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423427127 387252483 /nfs/dbraw/zinc/25/24/83/387252483.db2.gz IEIXUYWTQBLZTN-RWMBFGLXSA-N 2 3 227.396 1.624 20 0 BDADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423469702 387316873 /nfs/dbraw/zinc/31/68/73/387316873.db2.gz DBRBZIBARFTIHM-AVGNSLFASA-N 2 3 225.380 1.236 20 0 BDADHP NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423436500 387286927 /nfs/dbraw/zinc/28/69/27/387286927.db2.gz ZZFTXLXZRNVQEB-XUXIUFHCSA-N 2 3 239.407 1.469 20 0 BDADHP C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000423545686 387370519 /nfs/dbraw/zinc/37/05/19/387370519.db2.gz JWOHOCNZLLZDIM-ODXJTPSBSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCN1 ZINC000423545686 387370522 /nfs/dbraw/zinc/37/05/22/387370522.db2.gz JWOHOCNZLLZDIM-ODXJTPSBSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000423545688 387370673 /nfs/dbraw/zinc/37/06/73/387370673.db2.gz JWOHOCNZLLZDIM-QNSTZXKLSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCN1 ZINC000423545688 387370675 /nfs/dbraw/zinc/37/06/75/387370675.db2.gz JWOHOCNZLLZDIM-QNSTZXKLSA-N 2 3 237.391 1.105 20 0 BDADHP CC[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423476724 387322413 /nfs/dbraw/zinc/32/24/13/387322413.db2.gz RCLJORYUTZVLTG-XUXIUFHCSA-N 2 3 239.407 1.624 20 0 BDADHP CC[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCN1 ZINC000423476724 387322417 /nfs/dbraw/zinc/32/24/17/387322417.db2.gz RCLJORYUTZVLTG-XUXIUFHCSA-N 2 3 239.407 1.624 20 0 BDADHP CC[C@H](NCC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422741109 387648465 /nfs/dbraw/zinc/64/84/65/387648465.db2.gz OATZFZMCKNKAQN-KBPBESRZSA-N 2 3 239.407 1.448 20 0 BDADHP CCO[C@H](CC[NH+](C)C)CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422863382 387747286 /nfs/dbraw/zinc/74/72/86/387747286.db2.gz LJPRHXXUGZATLS-JHJVBQTASA-N 2 3 245.411 1.059 20 0 BDADHP C[C@H](C[C@H](C)[NH3+])NCc1cccc(C[NH+](C)C)c1 ZINC000422813903 387712391 /nfs/dbraw/zinc/71/23/91/387712391.db2.gz YXEPZSZBNWFPIF-QWHCGFSZSA-N 2 3 249.402 1.964 20 0 BDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000423172952 387958958 /nfs/dbraw/zinc/95/89/58/387958958.db2.gz WCLFXXPBXNESNO-HZSPNIEDSA-N 2 3 239.407 1.435 20 0 BDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000423172952 387958962 /nfs/dbraw/zinc/95/89/62/387958962.db2.gz WCLFXXPBXNESNO-HZSPNIEDSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423268405 388046923 /nfs/dbraw/zinc/04/69/23/388046923.db2.gz DNXAQHXPHHGYIG-JHJVBQTASA-N 2 3 227.396 1.611 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747789 410387929 /nfs/dbraw/zinc/38/79/29/410387929.db2.gz HUZHWGKZUBMRQK-RYUDHWBXSA-N 2 3 225.380 1.223 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762215 410411519 /nfs/dbraw/zinc/41/15/19/410411519.db2.gz XGCKHGBEUXVNLC-OCCSQVGLSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@@H]1C[C@H](CN2CC[C@H]([NH3+])C[C@H]2C)CC[NH2+]1 ZINC000653279856 410631531 /nfs/dbraw/zinc/63/15/31/410631531.db2.gz BQQMLXJAAUAUGX-LPWJVIDDSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](N)C[C@H]2C)CC[NH2+]1 ZINC000653279856 410631534 /nfs/dbraw/zinc/63/15/34/410631534.db2.gz BQQMLXJAAUAUGX-LPWJVIDDSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](N)C[C@H]2C)CC[NH2+]1 ZINC000653279856 410631540 /nfs/dbraw/zinc/63/15/40/410631540.db2.gz BQQMLXJAAUAUGX-LPWJVIDDSA-N 2 3 225.380 1.186 20 0 BDADHP [NH3+][C@@H]1CCC[C@H](NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000656200147 411204578 /nfs/dbraw/zinc/20/45/78/411204578.db2.gz GAWRGURWAYTUCQ-CABCVRRESA-N 2 3 245.370 1.649 20 0 BDADHP [NH3+]CCCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782547 411360440 /nfs/dbraw/zinc/36/04/40/411360440.db2.gz HJMLFPSAEPUYJE-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP NCCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782547 411360443 /nfs/dbraw/zinc/36/04/43/411360443.db2.gz HJMLFPSAEPUYJE-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP NCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782547 411360446 /nfs/dbraw/zinc/36/04/46/411360446.db2.gz HJMLFPSAEPUYJE-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP CC[NH+]1CCC(CN2CCC([NH3+])CC2)CC1 ZINC000044518825 169952057 /nfs/dbraw/zinc/95/20/57/169952057.db2.gz IVNDGNMNENWMTJ-UHFFFAOYSA-N 2 3 225.380 1.141 20 0 BDADHP CCNCCC[NH2+][C@H](C)CCCC[NH3+] ZINC000562956298 323034813 /nfs/dbraw/zinc/03/48/13/323034813.db2.gz TXISDHBWJJDVCZ-LLVKDONJSA-N 2 3 201.358 1.093 20 0 BDADHP [NH3+]CCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000570805027 323070970 /nfs/dbraw/zinc/07/09/70/323070970.db2.gz CWLWCJRZGCMQJH-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]CCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000570805027 323070971 /nfs/dbraw/zinc/07/09/71/323070971.db2.gz CWLWCJRZGCMQJH-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000567641283 326236688 /nfs/dbraw/zinc/23/66/88/326236688.db2.gz RIRZAORJYDUQFB-RYUDHWBXSA-N 2 3 227.396 1.434 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000086403958 487501030 /nfs/dbraw/zinc/50/10/30/487501030.db2.gz WFTRKAJWDIZBGF-RSJDFQLWSA-N 2 3 211.353 1.116 20 0 BDADHP CN(C)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000261792181 536136825 /nfs/dbraw/zinc/13/68/25/536136825.db2.gz GFADQDBZCJSNJT-AWEZNQCLSA-N 2 3 239.407 1.402 20 0 BDADHP CN(C)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000261792181 536136827 /nfs/dbraw/zinc/13/68/27/536136827.db2.gz GFADQDBZCJSNJT-AWEZNQCLSA-N 2 3 239.407 1.402 20 0 BDADHP Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902485921 584625503 /nfs/dbraw/zinc/62/55/03/584625503.db2.gz BJSMQMLPNIEVFP-GVXVVHGQSA-N 2 3 248.374 1.237 20 0 BDADHP CC(C)[C@@H](N)CC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425289 584760887 /nfs/dbraw/zinc/76/08/87/584760887.db2.gz ZFIQUWPDPDPOAY-AGIUHOORSA-N 2 3 227.396 1.419 20 0 BDADHP CC(C)[C@@H](N)CC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425289 584760889 /nfs/dbraw/zinc/76/08/89/584760889.db2.gz ZFIQUWPDPDPOAY-AGIUHOORSA-N 2 3 227.396 1.419 20 0 BDADHP CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425289 584760890 /nfs/dbraw/zinc/76/08/90/584760890.db2.gz ZFIQUWPDPDPOAY-AGIUHOORSA-N 2 3 227.396 1.419 20 0 BDADHP CC(C)[C@H](N)CC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425290 584760917 /nfs/dbraw/zinc/76/09/17/584760917.db2.gz ZFIQUWPDPDPOAY-FRRDWIJNSA-N 2 3 227.396 1.419 20 0 BDADHP CC(C)[C@H](N)CC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425290 584760919 /nfs/dbraw/zinc/76/09/19/584760919.db2.gz ZFIQUWPDPDPOAY-FRRDWIJNSA-N 2 3 227.396 1.419 20 0 BDADHP CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425290 584760920 /nfs/dbraw/zinc/76/09/20/584760920.db2.gz ZFIQUWPDPDPOAY-FRRDWIJNSA-N 2 3 227.396 1.419 20 0 BDADHP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1CN ZINC000903459194 584765907 /nfs/dbraw/zinc/76/59/07/584765907.db2.gz DQYZNSIPRHGITP-BJJPWKGXSA-N 2 3 239.407 1.419 20 0 BDADHP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1CN ZINC000903459194 584765909 /nfs/dbraw/zinc/76/59/09/584765909.db2.gz DQYZNSIPRHGITP-BJJPWKGXSA-N 2 3 239.407 1.419 20 0 BDADHP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1N ZINC000903450460 584771776 /nfs/dbraw/zinc/77/17/76/584771776.db2.gz WIKXCGXXXUFBCJ-NDBYEHHHSA-N 2 3 225.380 1.173 20 0 BDADHP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1N ZINC000903450460 584771777 /nfs/dbraw/zinc/77/17/77/584771777.db2.gz WIKXCGXXXUFBCJ-NDBYEHHHSA-N 2 3 225.380 1.173 20 0 BDADHP CC[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000903450460 584771779 /nfs/dbraw/zinc/77/17/79/584771779.db2.gz WIKXCGXXXUFBCJ-NDBYEHHHSA-N 2 3 225.380 1.173 20 0 BDADHP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903474455 584776965 /nfs/dbraw/zinc/77/69/65/584776965.db2.gz MZUJQZWNWBJMRK-RQJABVFESA-N 2 3 237.391 1.045 20 0 BDADHP [NH3+]CC[C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903747250 584794918 /nfs/dbraw/zinc/79/49/18/584794918.db2.gz QMBULJLJDSDCRQ-ZIAGYGMSSA-N 2 3 239.407 1.437 20 0 BDADHP [NH3+]CCCCCCCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856639 584808550 /nfs/dbraw/zinc/80/85/50/584808550.db2.gz AWRVPLXTJXSQGR-KBPBESRZSA-N 2 3 239.407 1.709 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000903920403 584823144 /nfs/dbraw/zinc/82/31/44/584823144.db2.gz UPWIWZKKMSGTJM-FJCXZIGKSA-N 2 3 237.391 1.247 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930076 584824144 /nfs/dbraw/zinc/82/41/44/584824144.db2.gz RJCRKKULBYXHBC-PBYDBYKOSA-N 2 3 225.380 1.232 20 0 BDADHP [NH3+][C@@]12CCC[C@@H]1CN(CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934012 584825267 /nfs/dbraw/zinc/82/52/67/584825267.db2.gz YWCVWBGVZOPFFJ-HKJOBYGYSA-N 2 3 249.402 1.330 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@]1(C)CCCNC1 ZINC000904389169 584875580 /nfs/dbraw/zinc/87/55/80/584875580.db2.gz SKWSNGRGHOZAEM-MGPQQGTHSA-N 2 3 239.407 1.211 20 0 BDADHP [NH3+]Cc1ccc(CNC2CC(C[NH3+])C2)c(F)c1 ZINC000904376442 584876408 /nfs/dbraw/zinc/87/64/08/584876408.db2.gz SEPWPLSZFRZNHY-UHFFFAOYSA-N 2 3 237.322 1.111 20 0 BDADHP CN(CCCCCC[NH3+])C[C@@]1(C)CCC[NH2+]C1 ZINC000904383597 584877451 /nfs/dbraw/zinc/87/74/51/584877451.db2.gz CTGISRFDDOKKMX-AWEZNQCLSA-N 2 3 241.423 1.827 20 0 BDADHP C[N@H+](CCCCCC[NH3+])C[C@@]1(C)CCCNC1 ZINC000904383597 584877452 /nfs/dbraw/zinc/87/74/52/584877452.db2.gz CTGISRFDDOKKMX-AWEZNQCLSA-N 2 3 241.423 1.827 20 0 BDADHP C[N@@H+](CCCCCC[NH3+])C[C@@]1(C)CCCNC1 ZINC000904383597 584877453 /nfs/dbraw/zinc/87/74/53/584877453.db2.gz CTGISRFDDOKKMX-AWEZNQCLSA-N 2 3 241.423 1.827 20 0 BDADHP [NH3+]CCc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817949138 586847266 /nfs/dbraw/zinc/84/72/66/586847266.db2.gz OGZXOVOZEZBCML-LSDHHAIUSA-N 2 3 247.386 1.405 20 0 BDADHP [NH3+]CCCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000843340773 588100946 /nfs/dbraw/zinc/10/09/46/588100946.db2.gz DZZXIYXCGGLFDV-KBPBESRZSA-N 2 3 239.407 1.722 20 0 BDADHP [NH3+]CCCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000843340773 588100948 /nfs/dbraw/zinc/10/09/48/588100948.db2.gz DZZXIYXCGGLFDV-KBPBESRZSA-N 2 3 239.407 1.722 20 0 BDADHP [NH3+]CCCCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000843340773 588100950 /nfs/dbraw/zinc/10/09/50/588100950.db2.gz DZZXIYXCGGLFDV-KBPBESRZSA-N 2 3 239.407 1.722 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843344113 588101338 /nfs/dbraw/zinc/10/13/38/588101338.db2.gz QWQXCOGEAMGTGG-STQMWFEESA-N 2 3 227.396 1.613 20 0 BDADHP NC[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000843347724 588102659 /nfs/dbraw/zinc/10/26/59/588102659.db2.gz IULSNUFPYNJIAI-AWEZNQCLSA-N 2 3 239.407 1.437 20 0 BDADHP NC[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000843347724 588102664 /nfs/dbraw/zinc/10/26/64/588102664.db2.gz IULSNUFPYNJIAI-AWEZNQCLSA-N 2 3 239.407 1.437 20 0 BDADHP [NH3+]C[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000843347724 588102665 /nfs/dbraw/zinc/10/26/65/588102665.db2.gz IULSNUFPYNJIAI-AWEZNQCLSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@H](N)[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846217965 588260327 /nfs/dbraw/zinc/26/03/27/588260327.db2.gz PPGDIKDSEQDOLZ-CHWSQXEVSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@@H](N)[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846217965 588260328 /nfs/dbraw/zinc/26/03/28/588260328.db2.gz PPGDIKDSEQDOLZ-CHWSQXEVSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@@H]([NH3+])[C@@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846217965 588260329 /nfs/dbraw/zinc/26/03/29/588260329.db2.gz PPGDIKDSEQDOLZ-CHWSQXEVSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@]1(CN)CC[N@H+](CCCCCC[NH3+])C1 ZINC000846221244 588261468 /nfs/dbraw/zinc/26/14/68/588261468.db2.gz VCKVHBBSFBFHMU-GFCCVEGCSA-N 2 3 213.369 1.176 20 0 BDADHP C[C@]1(CN)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846221244 588261469 /nfs/dbraw/zinc/26/14/69/588261469.db2.gz VCKVHBBSFBFHMU-GFCCVEGCSA-N 2 3 213.369 1.176 20 0 BDADHP C[C@@H]1C[C@H]([NH3+])CCN1CCCCCC[NH3+] ZINC000846708853 588283849 /nfs/dbraw/zinc/28/38/49/588283849.db2.gz WJTOGKXSMYJXMM-VXGBXAGGSA-N 2 3 213.369 1.317 20 0 BDADHP C[C@@H]1C[C@H](N)CC[N@@H+]1CCCCCC[NH3+] ZINC000846708853 588283850 /nfs/dbraw/zinc/28/38/50/588283850.db2.gz WJTOGKXSMYJXMM-VXGBXAGGSA-N 2 3 213.369 1.317 20 0 BDADHP C[C@@H]1C[C@H](N)CC[N@H+]1CCCCCC[NH3+] ZINC000846708853 588283851 /nfs/dbraw/zinc/28/38/51/588283851.db2.gz WJTOGKXSMYJXMM-VXGBXAGGSA-N 2 3 213.369 1.317 20 0 BDADHP C[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@H]1CN ZINC000866673826 589510685 /nfs/dbraw/zinc/51/06/85/589510685.db2.gz JLIVQHUICVRPJP-CHWSQXEVSA-N 2 3 227.396 1.422 20 0 BDADHP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H]1CN ZINC000866673826 589510687 /nfs/dbraw/zinc/51/06/87/589510687.db2.gz JLIVQHUICVRPJP-CHWSQXEVSA-N 2 3 227.396 1.422 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@]23CCC[C@@H]2NCC3)CC[NH2+]1 ZINC000873231854 590003144 /nfs/dbraw/zinc/00/31/44/590003144.db2.gz SAKYRSIBWZCTDL-MQYQWHSLSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)C1CC[NH2+]CC1 ZINC000873271427 590016258 /nfs/dbraw/zinc/01/62/58/590016258.db2.gz IBKPKSOZOPUROZ-UBHSHLNASA-N 2 3 239.407 1.482 20 0 BDADHP C[C@@H]([NH2+][C@H]1CCC[C@H]1CN)C1CC[NH2+]CC1 ZINC000873270428 590016329 /nfs/dbraw/zinc/01/63/29/590016329.db2.gz UCGHNTSLTYOEEI-WXHSDQCUSA-N 2 3 225.380 1.092 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925706773 634391495 /nfs/dbraw/zinc/39/14/95/634391495.db2.gz KLOJWLZEUUTWMY-FVCCEPFGSA-N 2 3 239.407 1.480 20 0 BDADHP C[C@@H](NCCCCCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000843344396 643343245 /nfs/dbraw/zinc/34/32/45/643343245.db2.gz YYBXALKYEBPCJM-OLZOCXBDSA-N 2 3 227.396 1.626 20 0 BDADHP C[C@H]1[NH2+]CCC[C@H]1NCCC1=CC[NH2+]CC1 ZINC000925703961 646429094 /nfs/dbraw/zinc/42/90/94/646429094.db2.gz FOANOWYRGDELJM-DGCLKSJQSA-N 2 3 223.364 1.026 20 0 BDADHP C[C@H]1CC[N@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1CN ZINC001205296175 967498914 /nfs/dbraw/zinc/49/89/14/967498914.db2.gz IIFZAYAWHVMGAL-STQMWFEESA-N 2 3 239.407 1.293 20 0 BDADHP C[C@H]1CC[N@@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1CN ZINC001205296175 967498931 /nfs/dbraw/zinc/49/89/31/967498931.db2.gz IIFZAYAWHVMGAL-STQMWFEESA-N 2 3 239.407 1.293 20 0 BDADHP C[N@H+]1CC=C(CN[C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405437585 971252674 /nfs/dbraw/zinc/25/26/74/971252674.db2.gz UVYPLMFFJLMQBX-OLZOCXBDSA-N 2 3 235.375 1.108 20 0 BDADHP C[N@@H+]1CC=C(CN[C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405437585 971252686 /nfs/dbraw/zinc/25/26/86/971252686.db2.gz UVYPLMFFJLMQBX-OLZOCXBDSA-N 2 3 235.375 1.108 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC[C@H]2C)CCN1 ZINC001246104863 972166137 /nfs/dbraw/zinc/16/61/37/972166137.db2.gz BZFSFQOOFQQCER-YIYPIFLZSA-N 2 3 239.407 1.352 20 0 BDADHP NC1CC([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246110418 972175163 /nfs/dbraw/zinc/17/51/63/972175163.db2.gz IBKCHVWZMNCZRA-UHFFFAOYSA-N 2 3 237.391 1.378 20 0 BDADHP C[C@H]1C[C@H]([NH2+]C23CCC([NH3+])(CC2)CC3)CCN1 ZINC001246163644 972202103 /nfs/dbraw/zinc/20/21/03/972202103.db2.gz OLQBFAWRNCERRF-MRFVTOPCSA-N 2 3 237.391 1.521 20 0 BDADHP CCCC[C@@H]1C[C@@H]([NH2+]CCCC[NH2+]C)CCN1 ZINC001246206099 972216479 /nfs/dbraw/zinc/21/64/79/972216479.db2.gz XMJGENXVFCTZSI-KGLIPLIRSA-N 2 3 241.423 1.886 20 0 BDADHP C[C@@]1([NH3+])CCN([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533144 972460651 /nfs/dbraw/zinc/46/06/51/972460651.db2.gz CARKSWYVQJLNEN-QWHCGFSZSA-N 2 3 237.391 1.332 20 0 BDADHP C[NH+]1CCC(C)(CN2CCC[C@@H]([NH3+])CC2)CC1 ZINC001205094369 965726310 /nfs/dbraw/zinc/72/63/10/965726310.db2.gz LRAKXPGZTZLQAT-CYBMUJFWSA-N 2 3 239.407 1.532 20 0 BDADHP C[C@H]1CN(Cc2cccc(C[NH3+])c2)C[C@H]1C[NH3+] ZINC001205151691 966064986 /nfs/dbraw/zinc/06/49/86/966064986.db2.gz YXFJUXINIGPDNE-SMDDNHRTSA-N 2 3 233.359 1.172 20 0 BDADHP C[C@H]1[C@H](CN)CCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903035 967879607 /nfs/dbraw/zinc/87/96/07/967879607.db2.gz NDRCOINVFWPWEK-STQMWFEESA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]1[C@H](CN)CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903035 967879608 /nfs/dbraw/zinc/87/96/08/967879608.db2.gz NDRCOINVFWPWEK-STQMWFEESA-N 2 3 239.407 1.435 20 0 BDADHP C1C[NH2+][C@@H](C2CCN(C3CC[NH2+]CC3)CC2)C1 ZINC001246831692 973133306 /nfs/dbraw/zinc/13/33/06/973133306.db2.gz KCVYNWIQWBBTFT-CQSZACIVSA-N 2 3 237.391 1.202 20 0 BDADHP C1C[NH2+][C@@H](C2CC[NH+](C3CCNCC3)CC2)C1 ZINC001246831692 973133310 /nfs/dbraw/zinc/13/33/10/973133310.db2.gz KCVYNWIQWBBTFT-CQSZACIVSA-N 2 3 237.391 1.202 20 0 BDADHP C(C[N@@H+]1CCCC[C@]12CCCNC2)C1C[NH2+]C1 ZINC001235174711 978990568 /nfs/dbraw/zinc/99/05/68/978990568.db2.gz VDZFAPUWVSZLEY-CQSZACIVSA-N 2 3 237.391 1.204 20 0 BDADHP C(C[N@H+]1CCCC[C@]12CCCNC2)C1C[NH2+]C1 ZINC001235174711 978990571 /nfs/dbraw/zinc/99/05/71/978990571.db2.gz VDZFAPUWVSZLEY-CQSZACIVSA-N 2 3 237.391 1.204 20 0 BDADHP CN1C[C@@H]2CC[C@@H]([NH2+]C3CC(CC[NH3+])C3)[C@H]2C1 ZINC001578520898 985142210 /nfs/dbraw/zinc/14/22/10/985142210.db2.gz IUETXAKSZHUIJN-YCKYNJIMSA-N 2 3 237.391 1.044 20 0 BDADHP C[C@@H]1CC[C@H](NC[C@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246092609 987396867 /nfs/dbraw/zinc/39/68/67/987396867.db2.gz FFYMOSYVCHENMI-HZSPNIEDSA-N 2 3 239.407 1.496 20 0 BDADHP CC[NH+](CC)CCCCN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246162357 987514353 /nfs/dbraw/zinc/51/43/53/987514353.db2.gz PBYAIOSJCHAUFY-KGLIPLIRSA-N 2 3 241.423 1.839 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246161929 987519723 /nfs/dbraw/zinc/51/97/23/987519723.db2.gz BYVKCKAZCFOIEX-LPWJVIDDSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@H]1CC[C@@H](NCCCCCC[NH3+])C[NH2+]1 ZINC001246165240 987522162 /nfs/dbraw/zinc/52/21/62/987522162.db2.gz QDHGUJCAMSOEOB-NWDGAFQWSA-N 2 3 213.369 1.236 20 0 BDADHP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246161931 987523156 /nfs/dbraw/zinc/52/31/56/987523156.db2.gz BYVKCKAZCFOIEX-ZDEQEGDKSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CCN1 ZINC001246202086 987600537 /nfs/dbraw/zinc/60/05/37/987600537.db2.gz MNPKQCOQGUBJDS-MQYQWHSLSA-N 2 3 239.407 1.624 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246208005 987604513 /nfs/dbraw/zinc/60/45/13/987604513.db2.gz ZTXZGTVCQIOMQC-XUXIUFHCSA-N 2 3 239.407 1.482 20 0 BDADHP C(N[C@@H]1CCCC[NH2+]C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246221754 987619989 /nfs/dbraw/zinc/61/99/89/987619989.db2.gz JMKTYPBNBRDZHX-YIYPIFLZSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CC[NH2+]CC1 ZINC001246249768 987648302 /nfs/dbraw/zinc/64/83/02/987648302.db2.gz JWYWPGBWRMTABB-MDZLAQPJSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CC[NH2+]CC1 ZINC001246249770 987650127 /nfs/dbraw/zinc/65/01/27/987650127.db2.gz JWYWPGBWRMTABB-NTZNESFSSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H](CN)C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246322343 987726885 /nfs/dbraw/zinc/72/68/85/987726885.db2.gz HDTQJIXSRGVANC-LBPRGKRZSA-N 2 3 239.407 1.483 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)CCN1 ZINC001246332584 987738478 /nfs/dbraw/zinc/73/84/78/987738478.db2.gz FRJQVWFFDDOZLU-RYSNWHEDSA-N 2 3 239.407 1.624 20 0 BDADHP C[NH+](C)CC1CCC([NH2+]C2CCNCC2)CC1 ZINC001246510389 987861932 /nfs/dbraw/zinc/86/19/32/987861932.db2.gz LUWFBIUBVHOVNA-UHFFFAOYSA-N 2 3 239.407 1.448 20 0 BDADHP CC[NH+](CC)CC[C@H](C)N1CCC(C[NH3+])CC1 ZINC001246538630 987897032 /nfs/dbraw/zinc/89/70/32/987897032.db2.gz OXQCAKGTAYYART-ZDUSSCGKSA-N 2 3 241.423 1.778 20 0 BDADHP C[NH2+]CC[C@H](C)N1CCC[C@](F)(C[NH3+])CC1 ZINC001246562089 987989761 /nfs/dbraw/zinc/98/97/61/987989761.db2.gz VSTJBYJDNWPFCD-NWDGAFQWSA-N 2 3 231.359 1.137 20 0 BDADHP C[NH2+]CC[C@@H](C)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001246562087 987993512 /nfs/dbraw/zinc/99/35/12/987993512.db2.gz VSTJBYJDNWPFCD-NEPJUHHUSA-N 2 3 231.359 1.137 20 0 BDADHP C[C@H]1C[C@@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246573793 988075088 /nfs/dbraw/zinc/07/50/88/988075088.db2.gz ZDMFORNRHUWJSW-RQJABVFESA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1C[C@@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246573793 988075108 /nfs/dbraw/zinc/07/51/08/988075108.db2.gz ZDMFORNRHUWJSW-RQJABVFESA-N 2 3 239.407 1.434 20 0 BDADHP CCN(CC)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000415098004 398161777 /nfs/dbraw/zinc/16/17/77/398161777.db2.gz DTIUBZHGBXMPBK-UHFFFAOYSA-N 2 3 241.423 1.825 20 0 BDADHP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CCCNC1 ZINC000577708957 366041283 /nfs/dbraw/zinc/04/12/83/366041283.db2.gz MDHQSQOJYKCPTA-MJBXVCDLSA-N 2 3 239.407 1.354 20 0 BDADHP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCNCC1 ZINC000038040556 358482427 /nfs/dbraw/zinc/48/24/27/358482427.db2.gz HIAHBPUSGDUXOM-CYBMUJFWSA-N 2 3 241.423 1.839 20 0 BDADHP C[NH2+]C[C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420269529 192195498 /nfs/dbraw/zinc/19/54/98/192195498.db2.gz IEYUSOPZVGQAKX-UONOGXRCSA-N 2 3 239.407 1.308 20 0 BDADHP CC(C)[C@@H]([NH3+])CCN(C)CC[C@H]1CC[NH2+]C1 ZINC000420288582 192202149 /nfs/dbraw/zinc/20/21/49/192202149.db2.gz JIERRYFZIFDHPJ-OLZOCXBDSA-N 2 3 227.396 1.291 20 0 BDADHP CC[C@@H](NCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000578857787 366658791 /nfs/dbraw/zinc/65/87/91/366658791.db2.gz YYFLOLIMVRCZND-OLZOCXBDSA-N 2 3 225.380 1.106 20 0 BDADHP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCN1 ZINC000578857787 366658796 /nfs/dbraw/zinc/65/87/96/366658796.db2.gz YYFLOLIMVRCZND-OLZOCXBDSA-N 2 3 225.380 1.106 20 0 BDADHP CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000629529105 361138386 /nfs/dbraw/zinc/13/83/86/361138386.db2.gz RTTWKHMDUKMUGS-SDDRHHMPSA-N 2 3 213.369 1.234 20 0 BDADHP [NH3+][C@@H]1C[C@@H](NC2CCC([NH3+])CC2)c2ccccc21 ZINC000132085958 181342891 /nfs/dbraw/zinc/34/28/91/181342891.db2.gz BIWBCXLRUHKBDH-FWFPMQDGSA-N 2 3 245.370 1.991 20 0 BDADHP [NH3+]Cc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000575935450 365422181 /nfs/dbraw/zinc/42/21/81/365422181.db2.gz UBRZNAFSSVLFIU-KGLIPLIRSA-N 2 3 233.359 1.505 20 0 BDADHP C[C@@H](NCC1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000386039357 367902159 /nfs/dbraw/zinc/90/21/59/367902159.db2.gz SJVKPKYWFFFOCI-TZMCWYRMSA-N 2 3 239.407 1.448 20 0 BDADHP CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000086403738 368880373 /nfs/dbraw/zinc/88/03/73/368880373.db2.gz CESWUKKBVMLPFO-FRRDWIJNSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000643541207 383882721 /nfs/dbraw/zinc/88/27/21/383882721.db2.gz RZVSZPDIODDBAU-SYQHCUMBSA-N 2 3 239.407 1.482 20 0 BDADHP N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647802614 385836246 /nfs/dbraw/zinc/83/62/46/385836246.db2.gz PVVNTJLEXPJOPL-CHWSQXEVSA-N 2 3 219.332 1.115 20 0 BDADHP [NH3+]C1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647811372 385863910 /nfs/dbraw/zinc/86/39/10/385863910.db2.gz ZLNLXXJYLWGAED-UHFFFAOYSA-N 2 3 225.380 1.189 20 0 BDADHP CN(CCCC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000647818285 385870867 /nfs/dbraw/zinc/87/08/67/385870867.db2.gz IJFFVPQJTYVCAK-UHFFFAOYSA-N 2 3 239.407 1.450 20 0 BDADHP NC[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647830556 385872980 /nfs/dbraw/zinc/87/29/80/385872980.db2.gz QSSDNOHBLUTFSM-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP NC[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647830556 385872982 /nfs/dbraw/zinc/87/29/82/385872982.db2.gz QSSDNOHBLUTFSM-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP CC(C)C[C@H](N)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000414665792 386116889 /nfs/dbraw/zinc/11/68/89/386116889.db2.gz FSXVTXWWVQQYBO-YPMHNXCESA-N 2 3 227.396 1.419 20 0 BDADHP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCNCC2(C)C)CC[NH2+]1 ZINC000414983446 386083964 /nfs/dbraw/zinc/08/39/64/386083964.db2.gz ZQVHSSDJXAKEJU-FRRDWIJNSA-N 2 3 239.407 1.352 20 0 BDADHP CC(C)C[C@H]([NH3+])CN1CCC2(C1)CC[NH2+]CC2 ZINC000414760445 386415518 /nfs/dbraw/zinc/41/55/18/386415518.db2.gz GXMKFEIRTYQFKD-ZDUSSCGKSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1C[C@H](CN)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647905009 386584629 /nfs/dbraw/zinc/58/46/29/386584629.db2.gz DBJUDPFTICWRPT-TZMCWYRMSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1C[C@H](CN)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647905009 386584633 /nfs/dbraw/zinc/58/46/33/386584633.db2.gz DBJUDPFTICWRPT-TZMCWYRMSA-N 2 3 239.407 1.435 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000333830608 387057702 /nfs/dbraw/zinc/05/77/02/387057702.db2.gz MNAQASUQEGHWEO-AGIUHOORSA-N 2 3 225.380 1.093 20 0 BDADHP CC[C@H](NCCCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000423330011 387174213 /nfs/dbraw/zinc/17/42/13/387174213.db2.gz PJPXOCRSQJRROR-NWDGAFQWSA-N 2 3 213.369 1.236 20 0 BDADHP C[C@H](CCCC[NH3+])N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423427126 387252723 /nfs/dbraw/zinc/25/27/23/387252723.db2.gz IEIXUYWTQBLZTN-JHJVBQTASA-N 2 3 227.396 1.624 20 0 BDADHP C[C@@H](NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423465976 387312922 /nfs/dbraw/zinc/31/29/22/387312922.db2.gz AGTITRPOTRULHB-MCIONIFRSA-N 2 3 239.407 1.639 20 0 BDADHP CC(C)NCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643508180 387479521 /nfs/dbraw/zinc/47/95/21/387479521.db2.gz RJUBQUDTPNPKPY-CYBMUJFWSA-N 2 3 241.423 1.694 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000422733651 387641528 /nfs/dbraw/zinc/64/15/28/387641528.db2.gz BQOPTWVTRPUSTL-NEPJUHHUSA-N 2 3 227.396 1.434 20 0 BDADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000423172954 387959345 /nfs/dbraw/zinc/95/93/45/387959345.db2.gz WCLFXXPBXNESNO-MGPQQGTHSA-N 2 3 239.407 1.435 20 0 BDADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000423172954 387959349 /nfs/dbraw/zinc/95/93/49/387959349.db2.gz WCLFXXPBXNESNO-MGPQQGTHSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H](NCC[C@@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423238446 388023020 /nfs/dbraw/zinc/02/30/20/388023020.db2.gz AKEWJBHMQKWAEU-FRRDWIJNSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H](NCC[C@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423238450 388023089 /nfs/dbraw/zinc/02/30/89/388023089.db2.gz AKEWJBHMQKWAEU-XQQFMLRXSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1C[C@@H]([NH3+])CCN1CCC1CC[NH2+]CC1 ZINC000516580283 388355782 /nfs/dbraw/zinc/35/57/82/388355782.db2.gz FNOBWWPJRWKRQF-YPMHNXCESA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@@H](N)CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000516580283 388355784 /nfs/dbraw/zinc/35/57/84/388355784.db2.gz FNOBWWPJRWKRQF-YPMHNXCESA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@@H](N)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000516580283 388355785 /nfs/dbraw/zinc/35/57/85/388355785.db2.gz FNOBWWPJRWKRQF-YPMHNXCESA-N 2 3 225.380 1.188 20 0 BDADHP [NH3+][C@H]1C[C@@H](NCC2CC[NH2+]CC2)c2ccccc21 ZINC000516921190 388524964 /nfs/dbraw/zinc/52/49/64/388524964.db2.gz JHULSIHMJJOJQI-LSDHHAIUSA-N 2 3 245.370 1.720 20 0 BDADHP C[C@@H](C[C@@H]1CCC[NH2+]1)NCCC1(C[NH3+])CC1 ZINC000650714106 410346610 /nfs/dbraw/zinc/34/66/10/410346610.db2.gz RLSNTVSNMKKYFD-RYUDHWBXSA-N 2 3 225.380 1.236 20 0 BDADHP NC[C@H]1CCCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761855 410409332 /nfs/dbraw/zinc/40/93/32/410409332.db2.gz MBBMPBJNJBSSIK-ZIAGYGMSSA-N 2 3 239.407 1.483 20 0 BDADHP C[C@H]1CCNCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762213 410411640 /nfs/dbraw/zinc/41/16/40/410411640.db2.gz XGCKHGBEUXVNLC-GXTWGEPZSA-N 2 3 239.407 1.354 20 0 BDADHP NC[C@@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762223 410411710 /nfs/dbraw/zinc/41/17/10/410411710.db2.gz XJKQLFARIPRQSB-QWHCGFSZSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CC[NH+](C)CC1 ZINC000396440754 410882121 /nfs/dbraw/zinc/88/21/21/410882121.db2.gz LECIOBSYTKGEGB-YUTCNCBUSA-N 2 3 239.407 1.576 20 0 BDADHP C[C@H]([NH2+]C[C@H]1CCCNC1)C1CC[NH+](C)CC1 ZINC000396454701 410883877 /nfs/dbraw/zinc/88/38/77/410883877.db2.gz XPUJBRGSQCXNBC-STQMWFEESA-N 2 3 239.407 1.306 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000656200355 411204424 /nfs/dbraw/zinc/20/44/24/411204424.db2.gz KEDJADBFEVIGRR-OLZOCXBDSA-N 2 3 225.380 1.236 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000656201093 411206082 /nfs/dbraw/zinc/20/60/82/411206082.db2.gz SFPJSNWBJDKPDU-NDBYEHHHSA-N 2 3 225.380 1.044 20 0 BDADHP CC(C)[C@H](N)CC[NH2+]C1CCC([NH3+])CC1 ZINC000663504217 411687315 /nfs/dbraw/zinc/68/73/15/411687315.db2.gz WFOTUWNVTQLETM-HTAVTVPLSA-N 2 3 213.369 1.219 20 0 BDADHP [NH3+]CCCN[C@H](CCC[NH3+])c1ccccc1 ZINC000415059230 487834951 /nfs/dbraw/zinc/83/49/51/487834951.db2.gz UUXRGULQBHSRMC-CYBMUJFWSA-N 2 3 221.348 1.405 20 0 BDADHP C[C@@H]1C[C@H](CNC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000666770574 487876571 /nfs/dbraw/zinc/87/65/71/487876571.db2.gz KBLNUDZWHQTQFK-JHJVBQTASA-N 2 3 225.380 1.106 20 0 BDADHP CCN1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000666857764 487892213 /nfs/dbraw/zinc/89/22/13/487892213.db2.gz IIJDIUJFZPQFGC-MJBXVCDLSA-N 2 3 239.407 1.448 20 0 BDADHP CC[NH2+]CC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261772808 535457818 /nfs/dbraw/zinc/45/78/18/535457818.db2.gz MVQRQPHOYSXRKS-CQSZACIVSA-N 2 3 239.407 1.308 20 0 BDADHP C[C@@H](N[C@@H](C)[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873270547 584128512 /nfs/dbraw/zinc/12/85/12/584128512.db2.gz WSBIRQRPRJLIOZ-MBNYWOFBSA-N 2 3 239.407 1.495 20 0 BDADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902489006 584627300 /nfs/dbraw/zinc/62/73/00/584627300.db2.gz PRVOJFXHVSQKIF-FQUUOJAGSA-N 2 3 239.407 1.624 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918763 584823211 /nfs/dbraw/zinc/82/32/11/584823211.db2.gz HEUSOYQSSNRJDB-YUSLTOFOSA-N 2 3 237.391 1.377 20 0 BDADHP C[C@H]1C[C@@H]([NH3+])CCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931994 584825247 /nfs/dbraw/zinc/82/52/47/584825247.db2.gz KXAUTRANNGGSIF-FJCXZIGKSA-N 2 3 237.391 1.329 20 0 BDADHP C[C@H]1C[C@@H](N)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931994 584825249 /nfs/dbraw/zinc/82/52/49/584825249.db2.gz KXAUTRANNGGSIF-FJCXZIGKSA-N 2 3 237.391 1.329 20 0 BDADHP C[C@H]1C[C@@H](N)CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931994 584825251 /nfs/dbraw/zinc/82/52/51/584825251.db2.gz KXAUTRANNGGSIF-FJCXZIGKSA-N 2 3 237.391 1.329 20 0 BDADHP CC[C@@H]1NCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935704 584825896 /nfs/dbraw/zinc/82/58/96/584825896.db2.gz SVIXYERCCOCSQS-YEKKKDRXSA-N 2 3 237.391 1.247 20 0 BDADHP C(NC[C@H]1CCCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917750 584826770 /nfs/dbraw/zinc/82/67/70/584826770.db2.gz MYYJIYWPPHSYAA-WTUNAVPPSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000903978855 584832894 /nfs/dbraw/zinc/83/28/94/584832894.db2.gz NGXHFSDPZLNEIY-NDBYEHHHSA-N 2 3 225.380 1.092 20 0 BDADHP C[C@@]1(C[NH+]2CCC(C[NH3+])CC2)CCCNC1 ZINC000904299825 584860714 /nfs/dbraw/zinc/86/07/14/584860714.db2.gz PGTQGYCHEKERBL-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCNC1 ZINC000904354162 584870161 /nfs/dbraw/zinc/87/01/61/584870161.db2.gz BQWGAUMCYFPITL-VXGBXAGGSA-N 2 3 213.369 1.093 20 0 BDADHP C[C@@H]1CN(Cc2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000904385502 584877733 /nfs/dbraw/zinc/87/77/33/584877733.db2.gz ZQCBGIVUHYLTRM-BXUZGUMPSA-N 2 3 233.359 1.172 20 0 BDADHP CC(C)[C@@H]([NH3+])CCN(C)CCCCCC[NH3+] ZINC000846217200 588260572 /nfs/dbraw/zinc/26/05/72/588260572.db2.gz CMQWKYOHHVWUSY-ZDUSSCGKSA-N 2 3 229.412 1.811 20 0 BDADHP C[C@H]1CCC[N@H+](CCCCCC[NH3+])[C@H]1CCN ZINC000846226404 588261717 /nfs/dbraw/zinc/26/17/17/588261717.db2.gz MPPFAZFWFACWSP-KBPBESRZSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@H]1CCC[N@@H+](CCCCCC[NH3+])[C@H]1CCN ZINC000846226404 588261718 /nfs/dbraw/zinc/26/17/18/588261718.db2.gz MPPFAZFWFACWSP-KBPBESRZSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@]12C[NH2+]C[C@H]1CN(CCCCCCC[NH3+])C2 ZINC000872154500 589886342 /nfs/dbraw/zinc/88/63/42/589886342.db2.gz VTOBSHVMTMGZST-UONOGXRCSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000873246355 590006190 /nfs/dbraw/zinc/00/61/90/590006190.db2.gz YHCBCPKTRRLLQB-RYUDHWBXSA-N 2 3 227.396 1.482 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873270218 590016219 /nfs/dbraw/zinc/01/62/19/590016219.db2.gz PLSVNLACQWFQCI-GMTAPVOTSA-N 2 3 213.369 1.090 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272082 590016302 /nfs/dbraw/zinc/01/63/02/590016302.db2.gz PLSVNLACQWFQCI-AXFHLTTASA-N 2 3 213.369 1.090 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000925794400 635326880 /nfs/dbraw/zinc/32/68/80/635326880.db2.gz LLUPKDKEHUVZHP-SYQHCUMBSA-N 2 3 239.407 1.339 20 0 BDADHP [NH3+]C1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923278091 644312038 /nfs/dbraw/zinc/31/20/38/644312038.db2.gz YPCGDOJKGWHNHT-QXMXGUDHSA-N 2 3 237.391 1.330 20 0 BDADHP C(C[NH2+][C@@H]1CCNC12CCC2)C[C@@H]1CCC[NH2+]1 ZINC000925710719 646434885 /nfs/dbraw/zinc/43/48/85/646434885.db2.gz QRBNPCFDQLESOH-QWHCGFSZSA-N 2 3 237.391 1.393 20 0 BDADHP C([NH2+][C@@H]1CCNC12CCC2)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727186 646451993 /nfs/dbraw/zinc/45/19/93/646451993.db2.gz NGNKMPSYTBNNOF-XJFOESAGSA-N 2 3 249.402 1.391 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879960 646529266 /nfs/dbraw/zinc/52/92/66/646529266.db2.gz NBGKTBJHKBMNDR-VOAKCMCISA-N 2 3 225.380 1.221 20 0 BDADHP N[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)C1CC1 ZINC000925700941 711710578 /nfs/dbraw/zinc/71/05/78/711710578.db2.gz XQFWMKTZCICUAX-CABCVRRESA-N 2 3 247.386 1.794 20 0 BDADHP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000715489065 712522739 /nfs/dbraw/zinc/52/27/39/712522739.db2.gz CIUIXHDANKQURO-OTTFEQOBSA-N 2 3 225.380 1.201 20 0 BDADHP CC1(C[N@@H+]2CCCC[C@@H](CN)C2)CC[NH2+]CC1 ZINC001206606212 968416095 /nfs/dbraw/zinc/41/60/95/968416095.db2.gz HEWSYFWAEVJJOI-ZDUSSCGKSA-N 2 3 239.407 1.437 20 0 BDADHP CC1(C[N@H+]2CCCC[C@@H](CN)C2)CC[NH2+]CC1 ZINC001206606212 968416102 /nfs/dbraw/zinc/41/61/02/968416102.db2.gz HEWSYFWAEVJJOI-ZDUSSCGKSA-N 2 3 239.407 1.437 20 0 BDADHP N[C@H](CCC[NH3+])Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001170900984 972070677 /nfs/dbraw/zinc/07/06/77/972070677.db2.gz SNFWMOJDNFZBBQ-KGLIPLIRSA-N 2 3 248.374 1.547 20 0 BDADHP C[C@H]1CC(N2CCC(C[NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246537147 972479427 /nfs/dbraw/zinc/47/94/27/972479427.db2.gz FJNOBYRGVJPWOW-QWRGUYRKSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@H]1CC([NH+]2CCC(C[NH3+])CC2)C[C@H](C)N1 ZINC001246537147 972479430 /nfs/dbraw/zinc/47/94/30/972479430.db2.gz FJNOBYRGVJPWOW-QWRGUYRKSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246579277 972916336 /nfs/dbraw/zinc/91/63/36/972916336.db2.gz UAQNBBQHRXTQQA-RDBSUJKOSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246579277 972916348 /nfs/dbraw/zinc/91/63/48/972916348.db2.gz UAQNBBQHRXTQQA-RDBSUJKOSA-N 2 3 239.407 1.578 20 0 BDADHP [NH3+]CCCC[NH2+]Cc1cc2c(s1)CCNC2 ZINC001329744165 973908226 /nfs/dbraw/zinc/90/82/26/973908226.db2.gz WSDRFMUGFYXOGU-UHFFFAOYSA-N 2 3 239.388 1.222 20 0 BDADHP [NH3+]CCCC[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001235169684 978987596 /nfs/dbraw/zinc/98/75/96/978987596.db2.gz CAUAVWSVEDQCSE-ZDUSSCGKSA-N 2 3 225.380 1.333 20 0 BDADHP [NH3+]CCCC[N@H+]1CCCC[C@@]12CCCNC2 ZINC001235169684 978987603 /nfs/dbraw/zinc/98/76/03/978987603.db2.gz CAUAVWSVEDQCSE-ZDUSSCGKSA-N 2 3 225.380 1.333 20 0 BDADHP C[NH+]1CCC(CC[N@@H+]2C[C@H]3CC[C@]3(N)C2)CC1 ZINC001235979948 979249237 /nfs/dbraw/zinc/24/92/37/979249237.db2.gz OTYZCYZXWTVJLR-KGLIPLIRSA-N 2 3 237.391 1.141 20 0 BDADHP C[NH+]1CCC(CC[N@H+]2C[C@H]3CC[C@]3(N)C2)CC1 ZINC001235979948 979249250 /nfs/dbraw/zinc/24/92/50/979249250.db2.gz OTYZCYZXWTVJLR-KGLIPLIRSA-N 2 3 237.391 1.141 20 0 BDADHP CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H](C[NH3+])C3)[C@@H]2C1 ZINC001578520786 985141874 /nfs/dbraw/zinc/14/18/74/985141874.db2.gz GNJWRIOZZTVYHJ-QNSTZXKLSA-N 2 3 237.391 1.044 20 0 BDADHP C[NH+](C)C1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246089432 987392707 /nfs/dbraw/zinc/39/27/07/987392707.db2.gz FAOBLULRNASHCJ-ROKHWSDSSA-N 2 3 239.407 1.591 20 0 BDADHP C1[NH2+]CC12CCC(N[C@H]1CCCC[NH2+]C1)CC2 ZINC001246090940 987397174 /nfs/dbraw/zinc/39/71/74/987397174.db2.gz NIHQEYGBZFOEIN-ZDUSSCGKSA-N 2 3 237.391 1.250 20 0 BDADHP C(CN[C@@H]1CCC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001246107692 987438163 /nfs/dbraw/zinc/43/81/63/987438163.db2.gz UIEDIHAZQDBPFL-CYBMUJFWSA-N 2 3 225.380 1.108 20 0 BDADHP C(N[C@H]1CCCC[NH2+]C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246221751 987619661 /nfs/dbraw/zinc/61/96/61/987619661.db2.gz JMKTYPBNBRDZHX-FQUUOJAGSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H]1C[C@H]([N@H+](C)C2CCC([NH3+])CC2)CCN1 ZINC001246238727 987637338 /nfs/dbraw/zinc/63/73/38/987637338.db2.gz ZGIIDMFQWOQJOS-IKWCTNDRSA-N 2 3 225.380 1.329 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CCN1 ZINC001246238727 987637345 /nfs/dbraw/zinc/63/73/45/987637345.db2.gz ZGIIDMFQWOQJOS-IKWCTNDRSA-N 2 3 225.380 1.329 20 0 BDADHP C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CC[NH2+]CC1 ZINC001246249769 987650269 /nfs/dbraw/zinc/65/02/69/987650269.db2.gz JWYWPGBWRMTABB-NQBHXWOUSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@H]1CC[C@@H](NCC23CC[NH+](CC2)CC3)C[NH2+]1 ZINC001246266845 987663411 /nfs/dbraw/zinc/66/34/11/987663411.db2.gz SGDTXLUBSPGNGT-QWHCGFSZSA-N 2 3 237.391 1.202 20 0 BDADHP CC[NH2+]CCN[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246274646 987668884 /nfs/dbraw/zinc/66/88/84/987668884.db2.gz YUMVPKSWZIBOFI-OLZOCXBDSA-N 2 3 225.380 1.108 20 0 BDADHP CC[NH2+]CCN[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246274025 987669767 /nfs/dbraw/zinc/66/97/67/987669767.db2.gz UOWJWVPUFUHQNJ-GFCCVEGCSA-N 2 3 225.380 1.108 20 0 BDADHP CC(C)[NH2+]CCN[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246453346 987808453 /nfs/dbraw/zinc/80/84/53/987808453.db2.gz NMMRDHXTYNRYDN-CYBMUJFWSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@]1(N)C[C@H]([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246458499 987815451 /nfs/dbraw/zinc/81/54/51/987815451.db2.gz GTBJLIZATKUMDA-YIYPIFLZSA-N 2 3 237.391 1.378 20 0 BDADHP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CCN1 ZINC001246461444 987819866 /nfs/dbraw/zinc/81/98/66/987819866.db2.gz IXQHHNKHHIOLSG-IGQOVBAYSA-N 2 3 239.407 1.589 20 0 BDADHP [NH3+]CCC[C@H]1CCCC[N@@H+](C2CCNCC2)C1 ZINC001246494044 987847827 /nfs/dbraw/zinc/84/78/27/987847827.db2.gz BWMWZHXJWMBMLO-CYBMUJFWSA-N 2 3 239.407 1.579 20 0 BDADHP [NH3+]CCC[C@H]1CCCC[N@H+](C2CCNCC2)C1 ZINC001246494044 987847828 /nfs/dbraw/zinc/84/78/28/987847828.db2.gz BWMWZHXJWMBMLO-CYBMUJFWSA-N 2 3 239.407 1.579 20 0 BDADHP C[C@@H]([NH2+][C@H]1CCN[C@@H](C)C1)C1CC[NH2+]CC1 ZINC001246498895 987854573 /nfs/dbraw/zinc/85/45/73/987854573.db2.gz JWYWPGBWRMTABB-LOWVWBTDSA-N 2 3 225.380 1.105 20 0 BDADHP CC[NH+](CC)CC[C@@H](C)N1CCC(C[NH3+])CC1 ZINC001246538447 987897627 /nfs/dbraw/zinc/89/76/27/987897627.db2.gz OXQCAKGTAYYART-CYBMUJFWSA-N 2 3 241.423 1.778 20 0 BDADHP C[C@H]1C[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1CN ZINC001246539245 987905620 /nfs/dbraw/zinc/90/56/20/987905620.db2.gz GEZHKPGZCYOQKU-NWDGAFQWSA-N 2 3 237.391 1.045 20 0 BDADHP C[C@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1CN ZINC001246539245 987905629 /nfs/dbraw/zinc/90/56/29/987905629.db2.gz GEZHKPGZCYOQKU-NWDGAFQWSA-N 2 3 237.391 1.045 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CCN1 ZINC001246573789 988071752 /nfs/dbraw/zinc/07/17/52/988071752.db2.gz ZDMFORNRHUWJSW-RFQIPJPRSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CCN1 ZINC001246573789 988071767 /nfs/dbraw/zinc/07/17/67/988071767.db2.gz ZDMFORNRHUWJSW-RFQIPJPRSA-N 2 3 239.407 1.434 20 0 BDADHP CC1(C[NH3+])CN([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246587925 988151810 /nfs/dbraw/zinc/15/18/10/988151810.db2.gz AQFFCRDRSLIFMV-LBPRGKRZSA-N 2 3 237.391 1.189 20 0 BDADHP CC[C@@H]1CC(N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246661518 988397183 /nfs/dbraw/zinc/39/71/83/988397183.db2.gz YBSKBUWEFQOCLM-SFYZRTLMSA-N 2 3 237.391 1.185 20 0 BDADHP CC[C@H]1CC(N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246661514 988400271 /nfs/dbraw/zinc/40/02/71/988400271.db2.gz YBSKBUWEFQOCLM-GOCOPAARSA-N 2 3 237.391 1.185 20 0 BDADHP C[C@H]1C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246793772 988472209 /nfs/dbraw/zinc/47/22/09/988472209.db2.gz DMPHEEIGHIPEKT-GXTWGEPZSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246793772 988472212 /nfs/dbraw/zinc/47/22/12/988472212.db2.gz DMPHEEIGHIPEKT-GXTWGEPZSA-N 2 3 239.407 1.448 20 0 BDADHP NCC1(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001326200954 989420853 /nfs/dbraw/zinc/42/08/53/989420853.db2.gz GQHIRODHVJYJHJ-UHFFFAOYSA-N 2 3 237.391 1.191 20 0 BDADHP NCC1(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001326200954 989420857 /nfs/dbraw/zinc/42/08/57/989420857.db2.gz GQHIRODHVJYJHJ-UHFFFAOYSA-N 2 3 237.391 1.191 20 0 BDADHP CC[NH+]1CCC(C[NH2+]CC[C@H](C)N(C)C)CC1 ZINC001560951381 991667671 /nfs/dbraw/zinc/66/76/71/991667671.db2.gz GFYZSKUAGUMZCN-ZDUSSCGKSA-N 2 3 241.423 1.648 20 0 BDADHP CC(C)N1CC[C@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001575696442 993096561 /nfs/dbraw/zinc/09/65/61/993096561.db2.gz ASFMZYXRZJZUDG-ZIHBUVQPSA-N 2 3 237.391 1.186 20 0 BDADHP C[NH+](C)CCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156074973 345123361 /nfs/dbraw/zinc/12/33/61/345123361.db2.gz DZQUXGUXGJWKFP-UONOGXRCSA-N 2 3 239.407 1.545 20 0 BDADHP C[NH+](C)CCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156074973 345123363 /nfs/dbraw/zinc/12/33/63/345123363.db2.gz DZQUXGUXGJWKFP-UONOGXRCSA-N 2 3 239.407 1.545 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000156074973 345123365 /nfs/dbraw/zinc/12/33/65/345123365.db2.gz DZQUXGUXGJWKFP-UONOGXRCSA-N 2 3 239.407 1.545 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003425 345206293 /nfs/dbraw/zinc/20/62/93/345206293.db2.gz DBBNJHJGGJACNY-DDHJBXDOSA-N 2 3 213.369 1.219 20 0 BDADHP C[N@H+](CCCC[NH2+][C@H]1CCC[C@@H](N)C1)C1CC1 ZINC000577231798 365892717 /nfs/dbraw/zinc/89/27/17/365892717.db2.gz RCVBLLSWSCTAOV-OLZOCXBDSA-N 2 3 239.407 1.720 20 0 BDADHP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@@H](N)C1)C1CC1 ZINC000577231798 365892725 /nfs/dbraw/zinc/89/27/25/365892725.db2.gz RCVBLLSWSCTAOV-OLZOCXBDSA-N 2 3 239.407 1.720 20 0 BDADHP C(C1CC[NH2+]CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336388480 188229291 /nfs/dbraw/zinc/22/92/91/188229291.db2.gz OMFQOEBLCBIBBB-CQSZACIVSA-N 2 3 237.391 1.062 20 0 BDADHP CC(C)(N)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000334693361 354483381 /nfs/dbraw/zinc/48/33/81/354483381.db2.gz ZPEPNAHWRXYPMK-GFCCVEGCSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCNC1 ZINC000414819044 191581955 /nfs/dbraw/zinc/58/19/55/191581955.db2.gz GLVXJWZLIAJNJY-AAVRWANBSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@H]2CCNC23CCC3)CC[NH2+]1 ZINC000530245089 355921475 /nfs/dbraw/zinc/92/14/75/355921475.db2.gz SSRBUQXHDGVEHA-UPJWGTAASA-N 2 3 237.391 1.249 20 0 BDADHP C[C@H]([NH3+])[C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420295642 192203800 /nfs/dbraw/zinc/20/38/00/192203800.db2.gz VVRVTZAUYHREIJ-IHRRRGAJSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420295642 192203802 /nfs/dbraw/zinc/20/38/02/192203802.db2.gz VVRVTZAUYHREIJ-IHRRRGAJSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420295642 192203805 /nfs/dbraw/zinc/20/38/05/192203805.db2.gz VVRVTZAUYHREIJ-IHRRRGAJSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000420296930 192205815 /nfs/dbraw/zinc/20/58/15/192205815.db2.gz XQWYQOWIZPLGQT-FRRDWIJNSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1N ZINC000420296930 192205817 /nfs/dbraw/zinc/20/58/17/192205817.db2.gz XQWYQOWIZPLGQT-FRRDWIJNSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1N ZINC000420296930 192205819 /nfs/dbraw/zinc/20/58/19/192205819.db2.gz XQWYQOWIZPLGQT-FRRDWIJNSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000580963518 367220597 /nfs/dbraw/zinc/22/05/97/367220597.db2.gz SHLDGJQHHFFLNE-GRYCIOLGSA-N 2 3 213.369 1.363 20 0 BDADHP C[C@@H](NCCCC[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000386576024 367994782 /nfs/dbraw/zinc/99/47/82/367994782.db2.gz NFGZCINXFITQNT-OLZOCXBDSA-N 2 3 227.396 1.448 20 0 BDADHP [NH3+]CCCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000147855830 384455206 /nfs/dbraw/zinc/45/52/06/384455206.db2.gz MFUKYKDHABELAJ-STQMWFEESA-N 2 3 219.332 1.460 20 0 BDADHP C(CNC1CC1)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547729 384750569 /nfs/dbraw/zinc/75/05/69/384750569.db2.gz ATUPVBFUWCKZCY-MBNYWOFBSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@@H](C[NH2+][C@@H](C)CCC[NH3+])CN1CCCC1 ZINC000309294113 385513264 /nfs/dbraw/zinc/51/32/64/385513264.db2.gz WTSHUQGCTKNJSU-STQMWFEESA-N 2 3 227.396 1.435 20 0 BDADHP CC(C)NCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647799197 385798129 /nfs/dbraw/zinc/79/81/29/385798129.db2.gz AIZDIJSYFWTCNP-MGPQQGTHSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@@H](CCC[NH3+])[NH2+]CCCN1CCCC[C@@H]1C ZINC000336714520 385812699 /nfs/dbraw/zinc/81/26/99/385812699.db2.gz PCJAMCARSXPKSC-KBPBESRZSA-N 2 3 241.423 1.968 20 0 BDADHP C[N@H+](CCCN)CCCC1CC[NH2+]CC1 ZINC000647847354 385896774 /nfs/dbraw/zinc/89/67/74/385896774.db2.gz LDIGTHYSCXSMAX-UHFFFAOYSA-N 2 3 213.369 1.047 20 0 BDADHP C[N@@H+](CCCN)CCCC1CC[NH2+]CC1 ZINC000647847354 385896776 /nfs/dbraw/zinc/89/67/76/385896776.db2.gz LDIGTHYSCXSMAX-UHFFFAOYSA-N 2 3 213.369 1.047 20 0 BDADHP CN(CCC[NH3+])CCCC1CC[NH2+]CC1 ZINC000647847354 385896781 /nfs/dbraw/zinc/89/67/81/385896781.db2.gz LDIGTHYSCXSMAX-UHFFFAOYSA-N 2 3 213.369 1.047 20 0 BDADHP C(CN(C1CC1)C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000647815525 385869223 /nfs/dbraw/zinc/86/92/23/385869223.db2.gz XXMDDOGFONQHJA-GFCCVEGCSA-N 2 3 237.391 1.202 20 0 BDADHP CC[NH2+]CC1CCN(CC2(C[NH3+])CC2)CC1 ZINC000414666763 386111595 /nfs/dbraw/zinc/11/15/95/386111595.db2.gz XICPOXAGBNVQOK-UHFFFAOYSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@H](N)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655685 386081553 /nfs/dbraw/zinc/08/15/53/386081553.db2.gz DVAMRBDXQPUUGA-YVECIDJPSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@H](N)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655685 386081557 /nfs/dbraw/zinc/08/15/57/386081557.db2.gz DVAMRBDXQPUUGA-YVECIDJPSA-N 2 3 225.380 1.044 20 0 BDADHP [NH3+]CC1(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000414775034 386473615 /nfs/dbraw/zinc/47/36/15/386473615.db2.gz GBARUHLFJMYRAF-CHWSQXEVSA-N 2 3 237.391 1.047 20 0 BDADHP CC[C@H]1CN(CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647934503 386476665 /nfs/dbraw/zinc/47/66/65/386476665.db2.gz HKURNNKAVCNNPO-KBPBESRZSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1N ZINC000647934503 386476671 /nfs/dbraw/zinc/47/66/71/386476671.db2.gz HKURNNKAVCNNPO-KBPBESRZSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1N ZINC000647934503 386476677 /nfs/dbraw/zinc/47/66/77/386476677.db2.gz HKURNNKAVCNNPO-KBPBESRZSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+]C[C@]2(C)CCCNC2)CC[NH2+]1 ZINC000414919826 386564134 /nfs/dbraw/zinc/56/41/34/386564134.db2.gz XWYZNRUVJIDVKW-MGPQQGTHSA-N 2 3 239.407 1.354 20 0 BDADHP NC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000414814925 386649120 /nfs/dbraw/zinc/64/91/20/386649120.db2.gz ZODVFCOJFHUBRP-HHTDUIENSA-N 2 3 239.407 1.611 20 0 BDADHP CCN(CC)CCC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415096301 386614209 /nfs/dbraw/zinc/61/42/09/386614209.db2.gz AXUBQLVYWDWDQQ-UONOGXRCSA-N 2 3 241.423 1.696 20 0 BDADHP C[C@@H]1CN(CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000335759063 386888264 /nfs/dbraw/zinc/88/82/64/386888264.db2.gz UOSNEHHBHCYMAP-DGCLKSJQSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1N ZINC000335759063 386888268 /nfs/dbraw/zinc/88/82/68/386888268.db2.gz UOSNEHHBHCYMAP-DGCLKSJQSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1N ZINC000335759063 386888274 /nfs/dbraw/zinc/88/82/74/386888274.db2.gz UOSNEHHBHCYMAP-DGCLKSJQSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423465979 387312299 /nfs/dbraw/zinc/31/22/99/387312299.db2.gz AGTITRPOTRULHB-MJBXVCDLSA-N 2 3 239.407 1.639 20 0 BDADHP C[C@H](NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423465973 387313547 /nfs/dbraw/zinc/31/35/47/387313547.db2.gz AGTITRPOTRULHB-BFHYXJOUSA-N 2 3 239.407 1.639 20 0 BDADHP CC[C@H](N[C@@H](C)CCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423457736 387306019 /nfs/dbraw/zinc/30/60/19/387306019.db2.gz PKBBMXGPQYMJQW-SRVKXCTJSA-N 2 3 213.369 1.234 20 0 BDADHP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H]1CCCN1 ZINC000423457736 387306025 /nfs/dbraw/zinc/30/60/25/387306025.db2.gz PKBBMXGPQYMJQW-SRVKXCTJSA-N 2 3 213.369 1.234 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423477148 387323640 /nfs/dbraw/zinc/32/36/40/387323640.db2.gz JODIZFSLRXAPGT-MELADBBJSA-N 2 3 239.407 1.626 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000422832849 387726797 /nfs/dbraw/zinc/72/67/97/387726797.db2.gz GHOGTYFOHSXTLS-MCIONIFRSA-N 2 3 241.423 1.966 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423088839 387881289 /nfs/dbraw/zinc/88/12/89/387881289.db2.gz QXAZHXOWWUUGSW-NWDGAFQWSA-N 2 3 239.407 1.576 20 0 BDADHP C[N@H+](CCCC[NH2+][C@H]1CCC[C@@H]1CN)C1CC1 ZINC000423163835 387923744 /nfs/dbraw/zinc/92/37/44/387923744.db2.gz NPAMZXZWMOLLCO-OCCSQVGLSA-N 2 3 239.407 1.578 20 0 BDADHP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@@H]1CN)C1CC1 ZINC000423163835 387923748 /nfs/dbraw/zinc/92/37/48/387923748.db2.gz NPAMZXZWMOLLCO-OCCSQVGLSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@H](NCC[C@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423275213 388057242 /nfs/dbraw/zinc/05/72/42/388057242.db2.gz MXMAMTUOJHTFFA-BFHYXJOUSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423283589 388064795 /nfs/dbraw/zinc/06/47/95/388064795.db2.gz XLYHTBDGYYEJKO-RDBSUJKOSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@]1(CN2CCC3(C2)CC[NH2+]CC3)CC[NH2+]C1 ZINC000261980308 135268597 /nfs/dbraw/zinc/26/85/97/135268597.db2.gz JBTRYWJJUORIDV-ZDUSSCGKSA-N 2 3 237.391 1.062 20 0 BDADHP C(C1CC[NH2+]CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336388479 410203011 /nfs/dbraw/zinc/20/30/11/410203011.db2.gz OMFQOEBLCBIBBB-AWEZNQCLSA-N 2 3 237.391 1.062 20 0 BDADHP C[C@@H](NCCC1(C[NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000650747709 410388016 /nfs/dbraw/zinc/38/80/16/410388016.db2.gz GDLIMMRQFMZSLK-NEPJUHHUSA-N 2 3 225.380 1.236 20 0 BDADHP CN1CC=C(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401005393 411169046 /nfs/dbraw/zinc/16/90/46/411169046.db2.gz BMNFXPDMDCKPOW-RRFJBIMHSA-N 2 3 249.402 1.226 20 0 BDADHP C[C@H]1C[C@@H](CN2CCC([NH+](C)C)CC2)CC[NH2+]1 ZINC000235698721 177324506 /nfs/dbraw/zinc/32/45/06/177324506.db2.gz NKQKUGNGRXWKKA-STQMWFEESA-N 2 3 239.407 1.401 20 0 BDADHP C[C@@H]1CN(CCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000846217704 588260486 /nfs/dbraw/zinc/26/04/86/588260486.db2.gz MMLLYFWTFRKPJX-NEPJUHHUSA-N 2 3 213.369 1.175 20 0 BDADHP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000666955474 487917133 /nfs/dbraw/zinc/91/71/33/487917133.db2.gz NPLONZCISCHOMM-JHJVBQTASA-N 2 3 237.391 1.249 20 0 BDADHP NC[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000652352701 487930349 /nfs/dbraw/zinc/93/03/49/487930349.db2.gz OMKFGLOOCFUIRU-RDBSUJKOSA-N 2 3 237.391 1.047 20 0 BDADHP NC[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000652352701 487930353 /nfs/dbraw/zinc/93/03/53/487930353.db2.gz OMKFGLOOCFUIRU-RDBSUJKOSA-N 2 3 237.391 1.047 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000566481114 323001195 /nfs/dbraw/zinc/00/11/95/323001195.db2.gz ADPCIRKDIGVAQC-YIYPIFLZSA-N 2 3 237.391 1.234 20 0 BDADHP N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000570802248 323070768 /nfs/dbraw/zinc/07/07/68/323070768.db2.gz BKVQMOAXQBZUOM-LSDHHAIUSA-N 2 3 247.386 1.895 20 0 BDADHP C[C@H]([NH3+])[C@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000567896415 323097987 /nfs/dbraw/zinc/09/79/87/323097987.db2.gz JVQOICJXHKWJBL-XQQFMLRXSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000567896415 323097988 /nfs/dbraw/zinc/09/79/88/323097988.db2.gz JVQOICJXHKWJBL-XQQFMLRXSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000567896415 323097989 /nfs/dbraw/zinc/09/79/89/323097989.db2.gz JVQOICJXHKWJBL-XQQFMLRXSA-N 2 3 225.380 1.045 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000334848776 487573472 /nfs/dbraw/zinc/57/34/72/487573472.db2.gz SFOYYGKWOBLZQC-POOIEITISA-N 2 3 225.380 1.363 20 0 BDADHP CN(C[C@@H]1CC[C@H]([NH3+])C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903445972 584769849 /nfs/dbraw/zinc/76/98/49/584769849.db2.gz PGXKSVSZMXIGRN-ZBBUEOHVSA-N 2 3 237.391 1.329 20 0 BDADHP C[C@H]([NH3+])C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903716537 584791863 /nfs/dbraw/zinc/79/18/63/584791863.db2.gz OKWDHEQLSKXZFQ-STQMWFEESA-N 2 3 239.407 1.435 20 0 BDADHP [NH3+]CCCCCCCN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856640 584808517 /nfs/dbraw/zinc/80/85/17/584808517.db2.gz AWRVPLXTJXSQGR-KGLIPLIRSA-N 2 3 239.407 1.709 20 0 BDADHP C[C@@H](N)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872733 584815291 /nfs/dbraw/zinc/81/52/91/584815291.db2.gz AYNBZVPKVQCFFW-RFLLOBDJSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@@H](N)[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872733 584815292 /nfs/dbraw/zinc/81/52/92/584815292.db2.gz AYNBZVPKVQCFFW-RFLLOBDJSA-N 2 3 237.391 1.186 20 0 BDADHP CC1(C)NCC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918825 584822876 /nfs/dbraw/zinc/82/28/76/584822876.db2.gz IVSLMSVUIMXKMZ-WVMKXHBISA-N 2 3 237.391 1.247 20 0 BDADHP CC(C)([NH3+])CCNCc1cccc2c1CC[NH2+]C2 ZINC000903939614 584828950 /nfs/dbraw/zinc/82/89/50/584828950.db2.gz KHRBFAHHLXGLNH-UHFFFAOYSA-N 2 3 247.386 1.549 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000903978851 584832996 /nfs/dbraw/zinc/83/29/96/584832996.db2.gz NGXHFSDPZLNEIY-FDYHWXHSSA-N 2 3 225.380 1.092 20 0 BDADHP [NH3+][C@H]1C[C@@H](CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000904297378 584860392 /nfs/dbraw/zinc/86/03/92/584860392.db2.gz KQNPVRIPXDJSMK-YIYPIFLZSA-N 2 3 237.391 1.188 20 0 BDADHP C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904302068 584862064 /nfs/dbraw/zinc/86/20/64/584862064.db2.gz UTIWNODWIWFPLO-FZMZJTMJSA-N 2 3 233.359 1.314 20 0 BDADHP CC1(C[NH2+]C[C@@]2(C)CCCNC2)CC[NH2+]CC1 ZINC000904354514 584870280 /nfs/dbraw/zinc/87/02/80/584870280.db2.gz AWHVTJSTCMYZTE-AWEZNQCLSA-N 2 3 239.407 1.355 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCNC1 ZINC000904354159 584870348 /nfs/dbraw/zinc/87/03/48/584870348.db2.gz BQWGAUMCYFPITL-NEPJUHHUSA-N 2 3 213.369 1.093 20 0 BDADHP CCN(CC)CCC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904367705 584872556 /nfs/dbraw/zinc/87/25/56/584872556.db2.gz HCEDSXRVJQVLGW-TXEJJXNPSA-N 2 3 213.369 1.045 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1CN ZINC000904373551 584873951 /nfs/dbraw/zinc/87/39/51/584873951.db2.gz SYNLNTRVAVDNEE-KVSVUVNWSA-N 2 3 225.380 1.029 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1CN ZINC000904373551 584873952 /nfs/dbraw/zinc/87/39/52/584873952.db2.gz SYNLNTRVAVDNEE-KVSVUVNWSA-N 2 3 225.380 1.029 20 0 BDADHP C[C@H]1C[C@H](CN)C[N@@H+]1CCCCCCC[NH3+] ZINC000843362307 588104400 /nfs/dbraw/zinc/10/44/00/588104400.db2.gz CMDHCJPXVIAIHC-QWHCGFSZSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@H]1C[C@H](CN)C[N@H+]1CCCCCCC[NH3+] ZINC000843362307 588104402 /nfs/dbraw/zinc/10/44/02/588104402.db2.gz CMDHCJPXVIAIHC-QWHCGFSZSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@H]1C[C@H]([NH3+])CCN1CCCCCCC[NH3+] ZINC000846706952 588283891 /nfs/dbraw/zinc/28/38/91/588283891.db2.gz BPGKIPRMXVCUQM-QWHCGFSZSA-N 2 3 227.396 1.707 20 0 BDADHP C[C@H]1C[C@H](N)CC[N@@H+]1CCCCCCC[NH3+] ZINC000846706952 588283892 /nfs/dbraw/zinc/28/38/92/588283892.db2.gz BPGKIPRMXVCUQM-QWHCGFSZSA-N 2 3 227.396 1.707 20 0 BDADHP C[C@H]1C[C@H](N)CC[N@H+]1CCCCCCC[NH3+] ZINC000846706952 588283893 /nfs/dbraw/zinc/28/38/93/588283893.db2.gz BPGKIPRMXVCUQM-QWHCGFSZSA-N 2 3 227.396 1.707 20 0 BDADHP [NH3+]CCc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848714670 588408120 /nfs/dbraw/zinc/40/81/20/588408120.db2.gz GBLMFIXLKAYQEG-HUUCEWRRSA-N 2 3 247.386 1.547 20 0 BDADHP CC(C)[C@H](CN)C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873221034 589998946 /nfs/dbraw/zinc/99/89/46/589998946.db2.gz XZBJKNUGBYAABC-WCQYABFASA-N 2 3 227.396 1.195 20 0 BDADHP CC(C)[C@H](CN)C[N@H+](C)CCCCCC[NH3+] ZINC000873231593 590003531 /nfs/dbraw/zinc/00/35/31/590003531.db2.gz QOMUCGXVKPMLFC-CYBMUJFWSA-N 2 3 229.412 1.668 20 0 BDADHP CC(C)[C@H](CN)C[N@@H+](C)CCCCCC[NH3+] ZINC000873231593 590003533 /nfs/dbraw/zinc/00/35/33/590003533.db2.gz QOMUCGXVKPMLFC-CYBMUJFWSA-N 2 3 229.412 1.668 20 0 BDADHP CC(C)[C@H](C[NH3+])CN(C)CCCCCC[NH3+] ZINC000873231593 590003534 /nfs/dbraw/zinc/00/35/34/590003534.db2.gz QOMUCGXVKPMLFC-CYBMUJFWSA-N 2 3 229.412 1.668 20 0 BDADHP C[C@H](CCCC[NH3+])NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873237889 590004670 /nfs/dbraw/zinc/00/46/70/590004670.db2.gz VGFLRORFNOOAOK-CHWSQXEVSA-N 2 3 241.423 1.872 20 0 BDADHP [NH3+][C@H]1C[C@@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000873249864 590007266 /nfs/dbraw/zinc/00/72/66/590007266.db2.gz NEVDETIFTZAXLQ-QOBDMFJFSA-N 2 3 231.343 1.458 20 0 BDADHP CC[C@H](N[C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000873270929 590016154 /nfs/dbraw/zinc/01/61/54/590016154.db2.gz CNOHMTJGEGMPQF-UBHSHLNASA-N 2 3 239.407 1.495 20 0 BDADHP CC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCCN1 ZINC000873270929 590016157 /nfs/dbraw/zinc/01/61/57/590016157.db2.gz CNOHMTJGEGMPQF-UBHSHLNASA-N 2 3 239.407 1.495 20 0 BDADHP C[C@H](N[C@@H](C)[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873272822 590017111 /nfs/dbraw/zinc/01/71/11/590017111.db2.gz WSBIRQRPRJLIOZ-OBJOEFQTSA-N 2 3 239.407 1.495 20 0 BDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCNC12CCC2 ZINC000925709664 634406832 /nfs/dbraw/zinc/40/68/32/634406832.db2.gz PIMYNDRRBJHHTO-NFMDPKQHSA-N 2 3 249.402 1.377 20 0 BDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CC[NH2+]C12CCC2 ZINC000925709664 634406836 /nfs/dbraw/zinc/40/68/36/634406836.db2.gz PIMYNDRRBJHHTO-NFMDPKQHSA-N 2 3 249.402 1.377 20 0 BDADHP CC1(C)CNC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904460887 637420752 /nfs/dbraw/zinc/42/07/52/637420752.db2.gz BHDNKUMXWYLZHY-PSEXLTFBSA-N 2 3 237.391 1.105 20 0 BDADHP CC(C)[C@@H](CN)C[NH2+]C1CCC([NH3+])CC1 ZINC000230943671 641118424 /nfs/dbraw/zinc/11/84/24/641118424.db2.gz LEMZZGFMCDNVSA-UNXYVOJBSA-N 2 3 213.369 1.077 20 0 BDADHP CCN(CC)CCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000083069212 643406983 /nfs/dbraw/zinc/40/69/83/643406983.db2.gz HSEAPEAEXIEFQY-CYBMUJFWSA-N 2 3 227.396 1.389 20 0 BDADHP CCN(CC)CCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000083069212 643406986 /nfs/dbraw/zinc/40/69/86/643406986.db2.gz HSEAPEAEXIEFQY-CYBMUJFWSA-N 2 3 227.396 1.389 20 0 BDADHP CC[NH+](CC)CCCN1CC[C@@H](CC[NH3+])C1 ZINC000083069212 643406991 /nfs/dbraw/zinc/40/69/91/643406991.db2.gz HSEAPEAEXIEFQY-CYBMUJFWSA-N 2 3 227.396 1.389 20 0 BDADHP C[C@H]([NH3+])[C@@H](NC1CCC([NH3+])CC1)c1ccccc1 ZINC000925689534 646416324 /nfs/dbraw/zinc/41/63/24/646416324.db2.gz BLRBEMNOGAAKLZ-VYESFELBSA-N 2 3 247.386 1.934 20 0 BDADHP CC[C@@H](N)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925711833 646435747 /nfs/dbraw/zinc/43/57/47/646435747.db2.gz SMQZYEGBYLUSAO-KGLIPLIRSA-N 2 3 235.375 1.794 20 0 BDADHP CC[C@@H](N)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925711835 646436814 /nfs/dbraw/zinc/43/68/14/646436814.db2.gz SMQZYEGBYLUSAO-ZIAGYGMSSA-N 2 3 235.375 1.794 20 0 BDADHP CC[C@H](N)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925711832 646436931 /nfs/dbraw/zinc/43/69/31/646436931.db2.gz SMQZYEGBYLUSAO-KBPBESRZSA-N 2 3 235.375 1.794 20 0 BDADHP C[C@H](N)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC001334737919 976609056 /nfs/dbraw/zinc/60/90/56/976609056.db2.gz LUYIEIKAAUBWOI-JTQLQIEISA-N 2 3 213.369 1.031 20 0 BDADHP C1CC12CNC[C@H]2[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246131427 972188832 /nfs/dbraw/zinc/18/88/32/972188832.db2.gz JWDQGGLXZYBEQF-QWHCGFSZSA-N 2 3 249.402 1.250 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]CCCCCCC[NH3+])CCN1 ZINC001246305733 972267024 /nfs/dbraw/zinc/26/70/24/972267024.db2.gz IXLNGSUNLCMCLP-STQMWFEESA-N 2 3 227.396 1.626 20 0 BDADHP CC[C@@]1(CNC2CCC([NH2+]C)CC2)CCC[NH2+]1 ZINC001246455163 972324235 /nfs/dbraw/zinc/32/42/35/972324235.db2.gz HIISXSMIYRQKBL-RUXDESIVSA-N 2 3 239.407 1.639 20 0 BDADHP C[C@]1([NH3+])CCN([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533141 972459365 /nfs/dbraw/zinc/45/93/65/972459365.db2.gz CARKSWYVQJLNEN-OLZOCXBDSA-N 2 3 237.391 1.332 20 0 BDADHP [NH3+]CC1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001205026206 967142851 /nfs/dbraw/zinc/14/28/51/967142851.db2.gz OPUYSADJBVNFHS-CYBMUJFWSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@H]1CC[N@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1CN ZINC001205296173 967495453 /nfs/dbraw/zinc/49/54/53/967495453.db2.gz IIFZAYAWHVMGAL-OLZOCXBDSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CC[N@@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1CN ZINC001205296173 967495460 /nfs/dbraw/zinc/49/54/60/967495460.db2.gz IIFZAYAWHVMGAL-OLZOCXBDSA-N 2 3 239.407 1.293 20 0 BDADHP NC[C@@H]1CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001206606364 968399855 /nfs/dbraw/zinc/39/98/55/968399855.db2.gz LUHZGRSDUTYJQE-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP NC[C@@H]1CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001206606364 968399864 /nfs/dbraw/zinc/39/98/64/968399864.db2.gz LUHZGRSDUTYJQE-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246635993 973047014 /nfs/dbraw/zinc/04/70/14/973047014.db2.gz BPTRJDPOXZJPNK-CHWSQXEVSA-N 2 3 237.391 1.202 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246635993 973047031 /nfs/dbraw/zinc/04/70/31/973047031.db2.gz BPTRJDPOXZJPNK-CHWSQXEVSA-N 2 3 237.391 1.202 20 0 BDADHP NC[C@@H]1Cc2ccccc2C[N@@H+]1CCCCC[NH3+] ZINC001237019700 979803642 /nfs/dbraw/zinc/80/36/42/979803642.db2.gz KEUCMXVCZMSCHL-HNNXBMFYSA-N 2 3 247.386 1.501 20 0 BDADHP NC[C@@H]1Cc2ccccc2C[N@H+]1CCCCC[NH3+] ZINC001237019700 979803646 /nfs/dbraw/zinc/80/36/46/979803646.db2.gz KEUCMXVCZMSCHL-HNNXBMFYSA-N 2 3 247.386 1.501 20 0 BDADHP [NH3+]C[C@@]1(F)CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC001205537920 980907509 /nfs/dbraw/zinc/90/75/09/980907509.db2.gz KPNXBFXHZOUXLF-QWHCGFSZSA-N 2 3 243.370 1.139 20 0 BDADHP C[C@H]1[C@H](CN)CCC[N@@H+]1CCCCCC[NH3+] ZINC001205902559 983114518 /nfs/dbraw/zinc/11/45/18/983114518.db2.gz KGVUQDOJUFESRE-STQMWFEESA-N 2 3 227.396 1.565 20 0 BDADHP C[C@H]1[C@H](CN)CCC[N@H+]1CCCCCC[NH3+] ZINC001205902559 983114522 /nfs/dbraw/zinc/11/45/22/983114522.db2.gz KGVUQDOJUFESRE-STQMWFEESA-N 2 3 227.396 1.565 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@@H](C)CCN)CC1 ZINC001577763382 984203749 /nfs/dbraw/zinc/20/37/49/984203749.db2.gz ABJYOYSFBXSAOO-NSHDSACASA-N 2 3 213.369 1.045 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@H]2CCN[C@@H]2C)CC1 ZINC001577763589 984730395 /nfs/dbraw/zinc/73/03/95/984730395.db2.gz FQSRSVMNNQBGOH-YPMHNXCESA-N 2 3 225.380 1.058 20 0 BDADHP CN1C[C@@H]2CC[C@H]([NH2+]C3CC(CC[NH3+])C3)[C@H]2C1 ZINC001578520894 985139572 /nfs/dbraw/zinc/13/95/72/985139572.db2.gz IUETXAKSZHUIJN-NMHYENAYSA-N 2 3 237.391 1.044 20 0 BDADHP C[C@@H](CC[NH2+]CC1CC[NH+](C)CC1)N(C)C ZINC000697908047 987370145 /nfs/dbraw/zinc/37/01/45/987370145.db2.gz GJORFCRRTKFNGI-LBPRGKRZSA-N 2 3 227.396 1.258 20 0 BDADHP C[C@@H]1CC[C@H](CN[C@H]2CCC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246107328 987438619 /nfs/dbraw/zinc/43/86/19/987438619.db2.gz FWLDQVQUIJPMEV-FRRDWIJNSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@@H]1CC[C@H](N[C@@H]2CCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246137612 987493356 /nfs/dbraw/zinc/49/33/56/987493356.db2.gz JMKMVQNOKFLQLJ-FRRDWIJNSA-N 2 3 237.391 1.249 20 0 BDADHP CC[NH+](CC)CCCCN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246162359 987515993 /nfs/dbraw/zinc/51/59/93/987515993.db2.gz PBYAIOSJCHAUFY-ZIAGYGMSSA-N 2 3 241.423 1.839 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCCC2)CCN1 ZINC001246161756 987520032 /nfs/dbraw/zinc/52/00/32/987520032.db2.gz LIEJUDFZZKJMKC-ZIAGYGMSSA-N 2 3 239.407 1.593 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+](C)C)CCN1 ZINC001246173618 987538908 /nfs/dbraw/zinc/53/89/08/987538908.db2.gz URQDXSIJMGEGMR-OLZOCXBDSA-N 2 3 227.396 1.448 20 0 BDADHP C[C@@H]1CC[C@H](NCC[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC001246201472 987598631 /nfs/dbraw/zinc/59/86/31/987598631.db2.gz HDLNXFHUPQUUAD-MQYQWHSLSA-N 2 3 239.407 1.624 20 0 BDADHP [NH3+][C@H]1CC[C@@H](CCN[C@H]2CCC[NH2+]C2)CC1 ZINC001246201296 987600619 /nfs/dbraw/zinc/60/06/19/987600619.db2.gz GEQRHJMDXIGSBY-XQQFMLRXSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@H]1C[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CCN1 ZINC001246238728 987639319 /nfs/dbraw/zinc/63/93/19/987639319.db2.gz ZGIIDMFQWOQJOS-WTIISPKJSA-N 2 3 225.380 1.329 20 0 BDADHP C[C@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CCN1 ZINC001246238728 987639325 /nfs/dbraw/zinc/63/93/25/987639325.db2.gz ZGIIDMFQWOQJOS-WTIISPKJSA-N 2 3 225.380 1.329 20 0 BDADHP CC(C)[NH2+]CCN[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246455551 987812430 /nfs/dbraw/zinc/81/24/30/987812430.db2.gz XOWHAMHGNHADCE-UONOGXRCSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H]1CC[C@H](NC2(C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246501711 987856782 /nfs/dbraw/zinc/85/67/82/987856782.db2.gz CCYAZBQQDHXSKY-YPMHNXCESA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H]1CC[N@@H+](C2CCNCC2)CC[C@H]1C[NH3+] ZINC001246553960 987960539 /nfs/dbraw/zinc/96/05/39/987960539.db2.gz ALZIPVXPWIIPRF-NEPJUHHUSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1CC[N@H+](C2CCNCC2)CC[C@H]1C[NH3+] ZINC001246553960 987960545 /nfs/dbraw/zinc/96/05/45/987960545.db2.gz ALZIPVXPWIIPRF-NEPJUHHUSA-N 2 3 225.380 1.045 20 0 BDADHP NC[C@@H]1CCCC[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593437 988179641 /nfs/dbraw/zinc/17/96/41/988179641.db2.gz NDVQYXUNTBPJQT-QWHCGFSZSA-N 2 3 237.391 1.189 20 0 BDADHP NC[C@@H]1CCCC[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593437 988179646 /nfs/dbraw/zinc/17/96/46/988179646.db2.gz NDVQYXUNTBPJQT-QWHCGFSZSA-N 2 3 237.391 1.189 20 0 BDADHP NC[C@H]1CCCC[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593747 988187643 /nfs/dbraw/zinc/18/76/43/988187643.db2.gz NTHQSXJJANKBBB-YIYPIFLZSA-N 2 3 237.391 1.045 20 0 BDADHP NC[C@H]1CCCC[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593747 988187659 /nfs/dbraw/zinc/18/76/59/988187659.db2.gz NTHQSXJJANKBBB-YIYPIFLZSA-N 2 3 237.391 1.045 20 0 BDADHP C[C@H]1C[C@H](N2CCC(C3C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246679509 988425107 /nfs/dbraw/zinc/42/51/07/988425107.db2.gz PXXRZKABZVIIMG-SMDDNHRTSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@H]1C[C@H]([NH+]2CCC(C3C[NH2+]C3)CC2)CCN1 ZINC001246679509 988425114 /nfs/dbraw/zinc/42/51/14/988425114.db2.gz PXXRZKABZVIIMG-SMDDNHRTSA-N 2 3 237.391 1.058 20 0 BDADHP C[N@H+](CCCN)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246677971 988425937 /nfs/dbraw/zinc/42/59/37/988425937.db2.gz BCWUZWUEMBLQFF-UHFFFAOYSA-N 2 3 239.407 1.579 20 0 BDADHP C[N@@H+](CCCN)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246677971 988425944 /nfs/dbraw/zinc/42/59/44/988425944.db2.gz BCWUZWUEMBLQFF-UHFFFAOYSA-N 2 3 239.407 1.579 20 0 BDADHP C[NH2+]CC1CC[NH+]([C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246783134 988460160 /nfs/dbraw/zinc/46/01/60/988460160.db2.gz WLPBFYVQPUMGPI-WCQYABFASA-N 2 3 225.380 1.058 20 0 BDADHP C[C@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246914128 988704741 /nfs/dbraw/zinc/70/47/41/988704741.db2.gz ZGIIDMFQWOQJOS-CYDGBPFRSA-N 2 3 225.380 1.329 20 0 BDADHP C[C@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246914128 988704759 /nfs/dbraw/zinc/70/47/59/988704759.db2.gz ZGIIDMFQWOQJOS-CYDGBPFRSA-N 2 3 225.380 1.329 20 0 BDADHP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@H+]1[C@H]1CCCCNC1 ZINC001246928742 988747218 /nfs/dbraw/zinc/74/72/18/988747218.db2.gz BWFVBENMKAVRLQ-MJBXVCDLSA-N 2 3 237.391 1.060 20 0 BDADHP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1[C@H]1CCCCNC1 ZINC001246928742 988747235 /nfs/dbraw/zinc/74/72/35/988747235.db2.gz BWFVBENMKAVRLQ-MJBXVCDLSA-N 2 3 237.391 1.060 20 0 BDADHP CC[NH+](CC)CCC[C@@H](C)N1CCC[C@H]1C[NH3+] ZINC001258899015 991893826 /nfs/dbraw/zinc/89/38/26/991893826.db2.gz BANGSNQCKCSGQS-KGLIPLIRSA-N 2 3 241.423 1.920 20 0 BDADHP CC[NH2+]CC1CC[NH+](C[C@@H](CN)C(C)C)CC1 ZINC000634991499 345177486 /nfs/dbraw/zinc/17/74/86/345177486.db2.gz GWNUMIKLROMABR-CQSZACIVSA-N 2 3 241.423 1.539 20 0 BDADHP C[NH2+]Cc1ccccc1CNC[C@H](C[NH3+])C(C)C ZINC000634996253 345187727 /nfs/dbraw/zinc/18/77/27/345187727.db2.gz DUNXGQMJKAGWNN-HNNXBMFYSA-N 2 3 249.402 1.727 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635004715 345208491 /nfs/dbraw/zinc/20/84/91/345208491.db2.gz DSTLYXCGVLFLHG-OLZOCXBDSA-N 2 3 241.423 1.872 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000414803752 191574825 /nfs/dbraw/zinc/57/48/25/191574825.db2.gz NZDIFYBNOWLVKH-QWHCGFSZSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000582181899 355646215 /nfs/dbraw/zinc/64/62/15/355646215.db2.gz ZITIHCNNWIYTNO-GHMZBOCLSA-N 2 3 221.348 1.361 20 0 BDADHP C[C@H]([NH3+])[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420295644 192203216 /nfs/dbraw/zinc/20/32/16/192203216.db2.gz VVRVTZAUYHREIJ-MELADBBJSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420295644 192203219 /nfs/dbraw/zinc/20/32/19/192203219.db2.gz VVRVTZAUYHREIJ-MELADBBJSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420295644 192203220 /nfs/dbraw/zinc/20/32/20/192203220.db2.gz VVRVTZAUYHREIJ-MELADBBJSA-N 2 3 239.407 1.435 20 0 BDADHP NCC[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420322231 192228655 /nfs/dbraw/zinc/22/86/55/192228655.db2.gz WJJRFSVVLZDJST-OLZOCXBDSA-N 2 3 225.380 1.189 20 0 BDADHP NCC[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420322231 192228657 /nfs/dbraw/zinc/22/86/57/192228657.db2.gz WJJRFSVVLZDJST-OLZOCXBDSA-N 2 3 225.380 1.189 20 0 BDADHP [NH3+]CC[C@@H]1CCCCN1CC[C@H]1CC[NH2+]C1 ZINC000420322231 192228659 /nfs/dbraw/zinc/22/86/59/192228659.db2.gz WJJRFSVVLZDJST-OLZOCXBDSA-N 2 3 225.380 1.189 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000583882661 358118024 /nfs/dbraw/zinc/11/80/24/358118024.db2.gz OWUONGRVVXXLFZ-JHJVBQTASA-N 2 3 225.380 1.378 20 0 BDADHP C[C@@H](CCCC[NH3+])N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535906 361397736 /nfs/dbraw/zinc/39/77/36/361397736.db2.gz DHZNECDGRHYESE-WOPDTQHZSA-N 2 3 213.369 1.234 20 0 BDADHP C[C@@H]1CC[C@@H](NC2CCC(C[NH3+])CC2)C[NH2+]1 ZINC000629542388 361419000 /nfs/dbraw/zinc/41/90/00/361419000.db2.gz YNEXSQLLVGUJCN-IKWCTNDRSA-N 2 3 225.380 1.234 20 0 BDADHP C(C[NH2+]C[C@H]1CCCNC1)C[C@H]1CCC[NH2+]1 ZINC000414960941 205795155 /nfs/dbraw/zinc/79/51/55/205795155.db2.gz AVRJXJJVJSLUDN-STQMWFEESA-N 2 3 225.380 1.108 20 0 BDADHP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548701 384040365 /nfs/dbraw/zinc/04/03/65/384040365.db2.gz TZQLFBLLBLFZLF-QWHCGFSZSA-N 2 3 239.407 1.768 20 0 BDADHP C1[NH2+]C[C@@H]2C[C@H]([NH2+][C@@H]3CCCNCC3)CC[C@@H]12 ZINC000647547075 384736168 /nfs/dbraw/zinc/73/61/68/384736168.db2.gz MPQZVKWPMLBTQB-IGQOVBAYSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@@H](CCCC[NH3+])N[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647547181 384737313 /nfs/dbraw/zinc/73/73/13/384737313.db2.gz PZALJPALUJBDJS-SRVKXCTJSA-N 2 3 213.369 1.092 20 0 BDADHP C([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC[NH2+]CC1 ZINC000647548126 384751146 /nfs/dbraw/zinc/75/11/46/384751146.db2.gz WBSAWYOCKVBKEG-CYBMUJFWSA-N 2 3 237.391 1.250 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647552140 384758400 /nfs/dbraw/zinc/75/84/00/384758400.db2.gz HSDGJLKUXYTGKC-KIJLLGNVSA-N 2 3 225.380 1.090 20 0 BDADHP C(C[NH2+]C[C@H]1CCCNC1)C[C@@H]1CCC[NH2+]1 ZINC000414960940 385882037 /nfs/dbraw/zinc/88/20/37/385882037.db2.gz AVRJXJJVJSLUDN-QWHCGFSZSA-N 2 3 225.380 1.108 20 0 BDADHP CC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCNCC1 ZINC000345188406 386055812 /nfs/dbraw/zinc/05/58/12/386055812.db2.gz KMNRBZUBHITANS-CQSZACIVSA-N 2 3 239.407 1.450 20 0 BDADHP CC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCNCC1 ZINC000345188406 386055817 /nfs/dbraw/zinc/05/58/17/386055817.db2.gz KMNRBZUBHITANS-CQSZACIVSA-N 2 3 239.407 1.450 20 0 BDADHP [NH3+]CC1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000335267499 386348910 /nfs/dbraw/zinc/34/89/10/386348910.db2.gz IMIZGINQKBORCD-WXRRBKDZSA-N 2 3 225.380 1.236 20 0 BDADHP CC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647935087 386490054 /nfs/dbraw/zinc/49/00/54/386490054.db2.gz ZAOBPOACPXQZKR-UPJWGTAASA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1N ZINC000647935087 386490059 /nfs/dbraw/zinc/49/00/59/386490059.db2.gz ZAOBPOACPXQZKR-UPJWGTAASA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1N ZINC000647935087 386490064 /nfs/dbraw/zinc/49/00/64/386490064.db2.gz ZAOBPOACPXQZKR-UPJWGTAASA-N 2 3 225.380 1.045 20 0 BDADHP [NH3+]CCC[C@@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000415052339 386507816 /nfs/dbraw/zinc/50/78/16/386507816.db2.gz KRIKBWJHURBZLD-OAHLLOKOSA-N 2 3 247.386 1.808 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000414814927 386648533 /nfs/dbraw/zinc/64/85/33/386648533.db2.gz ZODVFCOJFHUBRP-YIOUJQMASA-N 2 3 239.407 1.611 20 0 BDADHP [NH3+]C[C@@H]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000331604046 386874523 /nfs/dbraw/zinc/87/45/23/386874523.db2.gz OJRNEHATODVNRW-FDRIWYBQSA-N 2 3 245.370 1.848 20 0 BDADHP C[C@H](CCCC[NH3+])NCC[C@H]1CCC[NH2+]1 ZINC000423356749 387207449 /nfs/dbraw/zinc/20/74/49/387207449.db2.gz KGABEWCXVOGOKJ-VXGBXAGGSA-N 2 3 213.369 1.236 20 0 BDADHP CC[NH2+][C@H](C)CN[C@@H](C)CCCC[NH3+] ZINC000423399003 387234045 /nfs/dbraw/zinc/23/40/45/387234045.db2.gz VTEASOFCLVYOEX-WDEREUQCSA-N 2 3 201.358 1.092 20 0 BDADHP NCC[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000352478590 387246037 /nfs/dbraw/zinc/24/60/37/387246037.db2.gz YMHDCLWHHKEYFO-CYBMUJFWSA-N 2 3 225.380 1.189 20 0 BDADHP NCC[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000352478590 387246042 /nfs/dbraw/zinc/24/60/42/387246042.db2.gz YMHDCLWHHKEYFO-CYBMUJFWSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@H](CCC[NH3+])NC[C@H]1[NH2+]CCCC1(C)C ZINC000423391476 387277040 /nfs/dbraw/zinc/27/70/40/387277040.db2.gz PMISUJXWHTXCJD-VXGBXAGGSA-N 2 3 227.396 1.482 20 0 BDADHP NC[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423436498 387286815 /nfs/dbraw/zinc/28/68/15/387286815.db2.gz ZZFTXLXZRNVQEB-SYQHCUMBSA-N 2 3 239.407 1.469 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCNCC[C@H]1C ZINC000423442696 387292897 /nfs/dbraw/zinc/29/28/97/387292897.db2.gz VGMKOHDBJGTKNH-UPJWGTAASA-N 2 3 227.396 1.482 20 0 BDADHP C[C@@H](N[C@@H](C)CCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000423450047 387299701 /nfs/dbraw/zinc/29/97/01/387299701.db2.gz HCIYYMJDEQVWHE-QJPTWQEYSA-N 2 3 213.369 1.234 20 0 BDADHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C1CNC1 ZINC000422736089 387642723 /nfs/dbraw/zinc/64/27/23/387642723.db2.gz VTRBJTFETUQOPY-OLZOCXBDSA-N 2 3 241.423 1.694 20 0 BDADHP CC[NH+]1CCC(CC[NH2+][C@H](C)C2CNC2)CC1 ZINC000422776331 387673490 /nfs/dbraw/zinc/67/34/90/387673490.db2.gz ACTLHWCZUSMLGM-GFCCVEGCSA-N 2 3 239.407 1.306 20 0 BDADHP CC[NH+]1CCC(CC[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000422785700 387684450 /nfs/dbraw/zinc/68/44/50/387684450.db2.gz NWYDRKXUSNFPLD-OLZOCXBDSA-N 2 3 241.423 1.824 20 0 BDADHP CC[NH+]1CCC(CC[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000422785699 387684919 /nfs/dbraw/zinc/68/49/19/387684919.db2.gz NWYDRKXUSNFPLD-CHWSQXEVSA-N 2 3 241.423 1.824 20 0 BDADHP NC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000564827786 388891275 /nfs/dbraw/zinc/89/12/75/388891275.db2.gz FUWATPUAUYMOJJ-ZOBORPQBSA-N 2 3 237.391 1.092 20 0 BDADHP C[C@H](C[C@H]1CCC[NH2+]1)NCCC1(C[NH3+])CC1 ZINC000650714107 410347160 /nfs/dbraw/zinc/34/71/60/410347160.db2.gz RLSNTVSNMKKYFD-VXGBXAGGSA-N 2 3 225.380 1.236 20 0 BDADHP [NH3+]CC1(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000650747523 410387483 /nfs/dbraw/zinc/38/74/83/410387483.db2.gz BSYYBXZHBYFYIX-KGLIPLIRSA-N 2 3 245.370 1.850 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199707 411204122 /nfs/dbraw/zinc/20/41/22/411204122.db2.gz BFZHDRSRPXKUTP-KKOKHZNYSA-N 2 3 213.369 1.042 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199709 411204778 /nfs/dbraw/zinc/20/47/78/411204778.db2.gz BFZHDRSRPXKUTP-WHOHXGKFSA-N 2 3 213.369 1.042 20 0 BDADHP C[C@H]1C[NH2+]C[C@H](NCCCCCC[NH3+])C1 ZINC000843129631 588085423 /nfs/dbraw/zinc/08/54/23/588085423.db2.gz QTZOXYBDHFIIGX-VXGBXAGGSA-N 2 3 213.369 1.093 20 0 BDADHP CC(C)C[C@@H]([NH3+])CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666955347 487915271 /nfs/dbraw/zinc/91/52/71/487915271.db2.gz ATPBXLZAWSASMQ-VXGBXAGGSA-N 2 3 225.380 1.092 20 0 BDADHP CN(CC[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563152489 323095795 /nfs/dbraw/zinc/09/57/95/323095795.db2.gz KCEYVXYXLMFCFZ-ICIURTGMSA-N 2 3 237.391 1.201 20 0 BDADHP [NH3+][C@H]1CCCCC[C@H]1NCC1=CC[NH2+]CC1 ZINC000567654266 326239172 /nfs/dbraw/zinc/23/91/72/326239172.db2.gz KIMJIOJPESNIMG-QWHCGFSZSA-N 2 3 223.364 1.156 20 0 BDADHP CC1(C)CNCC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000902394594 584584618 /nfs/dbraw/zinc/58/46/18/584584618.db2.gz ZBFMRCQLLUMDIH-GFCCVEGCSA-N 2 3 239.407 1.483 20 0 BDADHP C[NH2+]C[C@@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874247 584816154 /nfs/dbraw/zinc/81/61/54/584816154.db2.gz VYYOJEZEJOOPPW-FUDCBSFHSA-N 2 3 237.391 1.058 20 0 BDADHP CNC[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874247 584816156 /nfs/dbraw/zinc/81/61/56/584816156.db2.gz VYYOJEZEJOOPPW-FUDCBSFHSA-N 2 3 237.391 1.058 20 0 BDADHP CNC[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874247 584816157 /nfs/dbraw/zinc/81/61/57/584816157.db2.gz VYYOJEZEJOOPPW-FUDCBSFHSA-N 2 3 237.391 1.058 20 0 BDADHP CC1([NH3+])CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903906711 584820810 /nfs/dbraw/zinc/82/08/10/584820810.db2.gz YIIUVAPQFBLVJS-YHWZYXNKSA-N 2 3 237.391 1.330 20 0 BDADHP C[C@@H]1C[C@H]([NH3+])CCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931997 584824862 /nfs/dbraw/zinc/82/48/62/584824862.db2.gz KXAUTRANNGGSIF-RFLLOBDJSA-N 2 3 237.391 1.329 20 0 BDADHP C[C@@H]1C[C@H](N)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931997 584824863 /nfs/dbraw/zinc/82/48/63/584824863.db2.gz KXAUTRANNGGSIF-RFLLOBDJSA-N 2 3 237.391 1.329 20 0 BDADHP C[C@@H]1C[C@H](N)CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931997 584824864 /nfs/dbraw/zinc/82/48/64/584824864.db2.gz KXAUTRANNGGSIF-RFLLOBDJSA-N 2 3 237.391 1.329 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000903978853 584833109 /nfs/dbraw/zinc/83/31/09/584833109.db2.gz NGXHFSDPZLNEIY-LPWJVIDDSA-N 2 3 225.380 1.092 20 0 BDADHP [NH3+][C@H]1C[C@@H](CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000904297376 584860334 /nfs/dbraw/zinc/86/03/34/584860334.db2.gz KQNPVRIPXDJSMK-IGQOVBAYSA-N 2 3 237.391 1.188 20 0 BDADHP CN(C)[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904341796 584867037 /nfs/dbraw/zinc/86/70/37/584867037.db2.gz WBYCLVDSBDGGLB-XQQFMLRXSA-N 2 3 225.380 1.140 20 0 BDADHP CN(C)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904341796 584867038 /nfs/dbraw/zinc/86/70/38/584867038.db2.gz WBYCLVDSBDGGLB-XQQFMLRXSA-N 2 3 225.380 1.140 20 0 BDADHP C[NH+](C)[C@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904341796 584867039 /nfs/dbraw/zinc/86/70/39/584867039.db2.gz WBYCLVDSBDGGLB-XQQFMLRXSA-N 2 3 225.380 1.140 20 0 BDADHP C[C@]1(C[NH2+]CCCCCC[NH3+])CCCNC1 ZINC000904373163 584874094 /nfs/dbraw/zinc/87/40/94/584874094.db2.gz CAFTYEJAYGZARG-CYBMUJFWSA-N 2 3 227.396 1.485 20 0 BDADHP C[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000904410602 584879334 /nfs/dbraw/zinc/87/93/34/584879334.db2.gz PPAIRWRQTKHFHN-HZSPNIEDSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1C[N@H+](C[C@]2(C)CCCNC2)CC[C@H]1C[NH3+] ZINC000904410602 584879335 /nfs/dbraw/zinc/87/93/35/584879335.db2.gz PPAIRWRQTKHFHN-HZSPNIEDSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1C[N@@H+](C[C@]2(C)CCCNC2)CC[C@H]1C[NH3+] ZINC000904410602 584879336 /nfs/dbraw/zinc/87/93/36/584879336.db2.gz PPAIRWRQTKHFHN-HZSPNIEDSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@]1(C[N@@H+]2CC[C@@H](CC[NH3+])C2)CCCNC1 ZINC000904407285 584879367 /nfs/dbraw/zinc/87/93/67/584879367.db2.gz SKUZCIDWLMVHEF-CHWSQXEVSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@]1(C[N@H+]2CC[C@@H](CC[NH3+])C2)CCCNC1 ZINC000904407285 584879368 /nfs/dbraw/zinc/87/93/68/584879368.db2.gz SKUZCIDWLMVHEF-CHWSQXEVSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@]1(CN2CC[C@@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904407285 584879369 /nfs/dbraw/zinc/87/93/69/584879369.db2.gz SKUZCIDWLMVHEF-CHWSQXEVSA-N 2 3 225.380 1.047 20 0 BDADHP N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947609 586847147 /nfs/dbraw/zinc/84/71/47/586847147.db2.gz CBDDFVNZRLWXOC-KBPBESRZSA-N 2 3 233.359 1.157 20 0 BDADHP CC[C@H]1CN(CCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000846220809 588261040 /nfs/dbraw/zinc/26/10/40/588261040.db2.gz VFBBNUKNPVROSP-STQMWFEESA-N 2 3 227.396 1.565 20 0 BDADHP CC[C@H]1C[N@H+](CCCCCC[NH3+])CC[C@@H]1N ZINC000846220809 588261041 /nfs/dbraw/zinc/26/10/41/588261041.db2.gz VFBBNUKNPVROSP-STQMWFEESA-N 2 3 227.396 1.565 20 0 BDADHP CC[C@H]1C[N@@H+](CCCCCC[NH3+])CC[C@@H]1N ZINC000846220809 588261042 /nfs/dbraw/zinc/26/10/42/588261042.db2.gz VFBBNUKNPVROSP-STQMWFEESA-N 2 3 227.396 1.565 20 0 BDADHP C[C@@]1(CN)CC[N@H+](CCCCCC[NH3+])C1 ZINC000846221245 588261339 /nfs/dbraw/zinc/26/13/39/588261339.db2.gz VCKVHBBSFBFHMU-LBPRGKRZSA-N 2 3 213.369 1.176 20 0 BDADHP C[C@@]1(CN)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846221245 588261340 /nfs/dbraw/zinc/26/13/40/588261340.db2.gz VCKVHBBSFBFHMU-LBPRGKRZSA-N 2 3 213.369 1.176 20 0 BDADHP CC1([NH3+])CCN(CCCCCC[NH3+])CC1 ZINC000846220258 588261475 /nfs/dbraw/zinc/26/14/75/588261475.db2.gz MLTXGZDIBJRPID-UHFFFAOYSA-N 2 3 213.369 1.319 20 0 BDADHP C[C@H]1C[C@H]([NH3+])CCN1CCCCCC[NH3+] ZINC000846708851 588283856 /nfs/dbraw/zinc/28/38/56/588283856.db2.gz WJTOGKXSMYJXMM-NWDGAFQWSA-N 2 3 213.369 1.317 20 0 BDADHP C[C@H]1C[C@H](N)CC[N@@H+]1CCCCCC[NH3+] ZINC000846708851 588283857 /nfs/dbraw/zinc/28/38/57/588283857.db2.gz WJTOGKXSMYJXMM-NWDGAFQWSA-N 2 3 213.369 1.317 20 0 BDADHP C[C@H]1C[C@H](N)CC[N@H+]1CCCCCC[NH3+] ZINC000846708851 588283858 /nfs/dbraw/zinc/28/38/58/588283858.db2.gz WJTOGKXSMYJXMM-NWDGAFQWSA-N 2 3 213.369 1.317 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+]CCCCCC[NH3+])C1 ZINC000848714634 588408027 /nfs/dbraw/zinc/40/80/27/588408027.db2.gz RVKDIJYUOFSDPP-VXGBXAGGSA-N 2 3 213.369 1.365 20 0 BDADHP CN(CCCCCC[NH3+])C[C@H]1CC[NH2+]C1 ZINC000872154919 589885905 /nfs/dbraw/zinc/88/59/05/589885905.db2.gz FHWDTQPUGZHXNL-LBPRGKRZSA-N 2 3 213.369 1.047 20 0 BDADHP C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)C1CC[NH2+]CC1 ZINC000873271425 590016286 /nfs/dbraw/zinc/01/62/86/590016286.db2.gz IBKPKSOZOPUROZ-FPMFFAJLSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CN)C1CC[NH2+]CC1 ZINC000873270426 590016323 /nfs/dbraw/zinc/01/63/23/590016323.db2.gz UCGHNTSLTYOEEI-RAIGVLPGSA-N 2 3 225.380 1.092 20 0 BDADHP C[C@H]([NH2+][C@@H]1CCNCC[C@H]1C)C1CC[NH2+]CC1 ZINC000873272982 590017126 /nfs/dbraw/zinc/01/71/26/590017126.db2.gz XWPAWUDGTVLWQB-MBNYWOFBSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@H](N)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925698121 634362383 /nfs/dbraw/zinc/36/23/83/634362383.db2.gz BZEJCTSTDSBZBZ-WCQYABFASA-N 2 3 221.348 1.403 20 0 BDADHP C[C@@H](NCCCCCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000843344395 643342742 /nfs/dbraw/zinc/34/27/42/643342742.db2.gz YYBXALKYEBPCJM-CHWSQXEVSA-N 2 3 227.396 1.626 20 0 BDADHP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)C1CNC1 ZINC000715561391 712528718 /nfs/dbraw/zinc/52/87/18/712528718.db2.gz JXVMRWTUTWVYHL-LMWSTFAQSA-N 2 3 239.407 1.447 20 0 BDADHP [NH3+][C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001205093476 967337322 /nfs/dbraw/zinc/33/73/22/967337322.db2.gz AYJORKNJHDAPOC-QWHCGFSZSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205903499 967881691 /nfs/dbraw/zinc/88/16/91/967881691.db2.gz PRTJJPDRACVHGJ-RDBSUJKOSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1[C@H](CN)CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205903499 967881695 /nfs/dbraw/zinc/88/16/95/967881695.db2.gz PRTJJPDRACVHGJ-RDBSUJKOSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1[C@H](C[NH3+])CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC001205903499 967881696 /nfs/dbraw/zinc/88/16/96/967881696.db2.gz PRTJJPDRACVHGJ-RDBSUJKOSA-N 2 3 239.407 1.435 20 0 BDADHP [NH3+]CCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC001332879384 975305453 /nfs/dbraw/zinc/30/54/53/975305453.db2.gz QLENHXCTNFZNKS-UONOGXRCSA-N 2 3 239.407 1.483 20 0 BDADHP [NH3+]CC1CCC(NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001334708824 976592417 /nfs/dbraw/zinc/59/24/17/976592417.db2.gz WRKRUARHNNFYLE-RUXDESIVSA-N 2 3 239.407 1.626 20 0 BDADHP CC(C)(C)N1CCC([NH2+]CCCC[NH3+])CC1 ZINC001256561966 970862940 /nfs/dbraw/zinc/86/29/40/970862940.db2.gz RLZUPZBVGACEAD-UHFFFAOYSA-N 2 3 227.396 1.578 20 0 BDADHP N[C@H](CCC[NH3+])Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001170900983 972070887 /nfs/dbraw/zinc/07/08/87/972070887.db2.gz SNFWMOJDNFZBBQ-KBPBESRZSA-N 2 3 248.374 1.547 20 0 BDADHP C(CC1CC[NH2+]CC1)N[C@H]1CCCC[NH2+]C1 ZINC001246104007 972165750 /nfs/dbraw/zinc/16/57/50/972165750.db2.gz IEMORZQSNUJCBD-ZDUSSCGKSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001246231574 972237915 /nfs/dbraw/zinc/23/79/15/972237915.db2.gz NKYMGQZAHXTXQH-UPJWGTAASA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CCCCCCC[NH3+])CCN1 ZINC001246305715 972267291 /nfs/dbraw/zinc/26/72/91/972267291.db2.gz IXLNGSUNLCMCLP-OLZOCXBDSA-N 2 3 227.396 1.626 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)CCN1 ZINC001246494097 972352245 /nfs/dbraw/zinc/35/22/45/972352245.db2.gz HJNSJLOKCBAMGR-IWMBGFJWSA-N 2 3 237.391 1.249 20 0 BDADHP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCCN(C)CC1 ZINC001254501831 969667318 /nfs/dbraw/zinc/66/73/18/969667318.db2.gz YUOYCCUDMMSFNA-CYBMUJFWSA-N 2 3 227.396 1.530 20 0 BDADHP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCCN(C)CC1 ZINC001254501831 969667331 /nfs/dbraw/zinc/66/73/31/969667331.db2.gz YUOYCCUDMMSFNA-CYBMUJFWSA-N 2 3 227.396 1.530 20 0 BDADHP C[C@]1(C[NH3+])CCC[N@@H+](C2CCNCC2)CC1 ZINC001246579312 972920656 /nfs/dbraw/zinc/92/06/56/972920656.db2.gz UIDUUCCHQIRPSG-ZDUSSCGKSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@]1(C[NH3+])CCC[N@H+](C2CCNCC2)CC1 ZINC001246579312 972920671 /nfs/dbraw/zinc/92/06/71/972920671.db2.gz UIDUUCCHQIRPSG-ZDUSSCGKSA-N 2 3 225.380 1.189 20 0 BDADHP C[NH2+]CCCN1CCC[C@](C)(C[NH3+])CC1 ZINC001206296870 978317169 /nfs/dbraw/zinc/31/71/69/978317169.db2.gz VGHPSRSBWPGTHJ-LBPRGKRZSA-N 2 3 213.369 1.047 20 0 BDADHP CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC([NH3+])CC3)[C@@H]2C1 ZINC001578520744 984214855 /nfs/dbraw/zinc/21/48/55/984214855.db2.gz GEPUEUARRLXNOD-YOMYCBHVSA-N 2 3 237.391 1.186 20 0 BDADHP CCN(CC)CC[C@@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC001577687382 984638198 /nfs/dbraw/zinc/63/81/98/984638198.db2.gz DCRABAKZMYCGIA-PNESKVBLSA-N 2 3 227.396 1.434 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@H]2CNCC2(C)C)CC1 ZINC001577763889 984740467 /nfs/dbraw/zinc/74/04/67/984740467.db2.gz LUSFEPPCOMPJDF-ZDUSSCGKSA-N 2 3 239.407 1.306 20 0 BDADHP C[NH2+]C1CCC(NC[C@@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246107429 987438510 /nfs/dbraw/zinc/43/85/10/987438510.db2.gz GTJZIVFDLIOTOP-RYSNWHEDSA-N 2 3 239.407 1.495 20 0 BDADHP CCN1CCC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC001246121848 987467260 /nfs/dbraw/zinc/46/72/60/987467260.db2.gz UKEJWJYXVMZHGQ-STQMWFEESA-N 2 3 239.407 1.306 20 0 BDADHP C1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CC[NH2+]CC2 ZINC001246139895 987498886 /nfs/dbraw/zinc/49/88/86/987498886.db2.gz XMXWLVZIVQCIIF-ZGVCCVRISA-N 2 3 235.375 1.001 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C23CCC([NH3+])(CC2)CC3)CCN1 ZINC001246163643 987525882 /nfs/dbraw/zinc/52/58/82/987525882.db2.gz OLQBFAWRNCERRF-KBHBFKLGSA-N 2 3 237.391 1.521 20 0 BDADHP CC[NH+](CC)CCCC[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246163125 987526800 /nfs/dbraw/zinc/52/68/00/987526800.db2.gz VUWYXLUYXKXZEB-KBPBESRZSA-N 2 3 241.423 1.839 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCN1 ZINC001246176274 987544574 /nfs/dbraw/zinc/54/45/74/987544574.db2.gz OBNXBXRUVVZXIT-RDBSUJKOSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCN1 ZINC001246176274 987544583 /nfs/dbraw/zinc/54/45/83/987544583.db2.gz OBNXBXRUVVZXIT-RDBSUJKOSA-N 2 3 239.407 1.448 20 0 BDADHP CC(C)[NH+]1CCC(C[NH2+]C2CCNCC2)CC1 ZINC001246193158 987584912 /nfs/dbraw/zinc/58/49/12/987584912.db2.gz UOCMHFGPKORIGV-UHFFFAOYSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1CC[C@H](NCC2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001246210673 987607103 /nfs/dbraw/zinc/60/71/03/987607103.db2.gz JMCDRYJEJJIFMD-NEPJUHHUSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H]1CC[C@H](NCC2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001246210679 987607129 /nfs/dbraw/zinc/60/71/29/987607129.db2.gz JMCDRYJEJJIFMD-RYUDHWBXSA-N 2 3 225.380 1.106 20 0 BDADHP C(N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC001246225277 987621781 /nfs/dbraw/zinc/62/17/81/987621781.db2.gz OTWCAGVVBCLXMQ-CHWSQXEVSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CCN1 ZINC001246224042 987622408 /nfs/dbraw/zinc/62/24/08/987622408.db2.gz MTDILRVQCFDAGN-FVCCEPFGSA-N 2 3 225.380 1.234 20 0 BDADHP CC[NH2+]CCN[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246274649 987670985 /nfs/dbraw/zinc/67/09/85/987670985.db2.gz YUMVPKSWZIBOFI-STQMWFEESA-N 2 3 225.380 1.108 20 0 BDADHP CCC1(CN[C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246425824 987796196 /nfs/dbraw/zinc/79/61/96/987796196.db2.gz ZOWOIKVCADQGEP-OLZOCXBDSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@]1(N)C[C@H]([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246458496 987817631 /nfs/dbraw/zinc/81/76/31/987817631.db2.gz GTBJLIZATKUMDA-FQUUOJAGSA-N 2 3 237.391 1.378 20 0 BDADHP [NH3+]Cc1ccc(CC[NH2+][C@H]2CCCCNC2)cc1 ZINC001246483661 987841687 /nfs/dbraw/zinc/84/16/87/987841687.db2.gz MSMDGKYIUBYMOG-HNNXBMFYSA-N 2 3 247.386 1.420 20 0 BDADHP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1C[NH3+] ZINC001246540525 987906351 /nfs/dbraw/zinc/90/63/51/987906351.db2.gz JTQYIAWLINPYRS-MEBFFEOJSA-N 2 3 237.391 1.138 20 0 BDADHP C[C@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1C[NH3+] ZINC001246540525 987906360 /nfs/dbraw/zinc/90/63/60/987906360.db2.gz JTQYIAWLINPYRS-MEBFFEOJSA-N 2 3 237.391 1.138 20 0 BDADHP C[NH2+]CC[C@@H](C)N1CCC[C@](F)(C[NH3+])CC1 ZINC001246562096 987994835 /nfs/dbraw/zinc/99/48/35/987994835.db2.gz VSTJBYJDNWPFCD-VXGBXAGGSA-N 2 3 231.359 1.137 20 0 BDADHP NC[C@H]1CCCC[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593436 988176621 /nfs/dbraw/zinc/17/66/21/988176621.db2.gz NDVQYXUNTBPJQT-OLZOCXBDSA-N 2 3 237.391 1.189 20 0 BDADHP NC[C@H]1CCCC[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593436 988176627 /nfs/dbraw/zinc/17/66/27/988176627.db2.gz NDVQYXUNTBPJQT-OLZOCXBDSA-N 2 3 237.391 1.189 20 0 BDADHP C1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)N1 ZINC001246634700 988318600 /nfs/dbraw/zinc/31/86/00/988318600.db2.gz AWRPRQATZMDUOJ-KBUPBQIOSA-N 2 3 249.402 1.345 20 0 BDADHP C1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)N1 ZINC001246634700 988318622 /nfs/dbraw/zinc/31/86/22/988318622.db2.gz AWRPRQATZMDUOJ-KBUPBQIOSA-N 2 3 249.402 1.345 20 0 BDADHP C[C@@H]1C[C@@H](N2CCC(C3C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246679508 988426706 /nfs/dbraw/zinc/42/67/06/988426706.db2.gz PXXRZKABZVIIMG-RISCZKNCSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@@H]1C[C@@H]([NH+]2CCC(C3C[NH2+]C3)CC2)CCN1 ZINC001246679508 988426711 /nfs/dbraw/zinc/42/67/11/988426711.db2.gz PXXRZKABZVIIMG-RISCZKNCSA-N 2 3 237.391 1.058 20 0 BDADHP CC(C)(CN)C[NH2+]CCCCC[NH+]1CCCC1 ZINC001575315153 993011059 /nfs/dbraw/zinc/01/10/59/993011059.db2.gz JZSHWXVYZCDEJS-UHFFFAOYSA-N 2 3 241.423 1.827 20 0 BDADHP CC(C)[C@H](C[NH3+])CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000634994978 345183904 /nfs/dbraw/zinc/18/39/04/345183904.db2.gz RKKAVXOSEUVORA-HZSPNIEDSA-N 2 3 239.407 1.149 20 0 BDADHP [NH3+]C[C@H]1CC[C@H](C[NH2+]CC23CC(C2)CN3)CC1 ZINC000634995365 345184507 /nfs/dbraw/zinc/18/45/07/345184507.db2.gz BSWHFLXSIDSLFG-HXZBBRIXSA-N 2 3 237.391 1.093 20 0 BDADHP [NH3+]C[C@H]1CC[C@H](CNCC23CC(C2)C[NH2+]3)CC1 ZINC000634995365 345184508 /nfs/dbraw/zinc/18/45/08/345184508.db2.gz BSWHFLXSIDSLFG-HXZBBRIXSA-N 2 3 237.391 1.093 20 0 BDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000634993795 345191822 /nfs/dbraw/zinc/19/18/22/345191822.db2.gz GTYWKOVMWCMMAP-QWHCGFSZSA-N 2 3 227.396 1.278 20 0 BDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000634993795 345191825 /nfs/dbraw/zinc/19/18/25/345191825.db2.gz GTYWKOVMWCMMAP-QWHCGFSZSA-N 2 3 227.396 1.278 20 0 BDADHP C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003324 345206417 /nfs/dbraw/zinc/20/64/17/345206417.db2.gz CBNMNGQPVRGRQL-AAVRWANBSA-N 2 3 239.407 1.482 20 0 BDADHP CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCCNCC1 ZINC000420302713 192207598 /nfs/dbraw/zinc/20/75/98/192207598.db2.gz BVRJOYYUDDIPPR-ZIAGYGMSSA-N 2 3 239.407 1.450 20 0 BDADHP CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCCNCC1 ZINC000420302713 192207601 /nfs/dbraw/zinc/20/76/01/192207601.db2.gz BVRJOYYUDDIPPR-ZIAGYGMSSA-N 2 3 239.407 1.450 20 0 BDADHP NCC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420312955 192210944 /nfs/dbraw/zinc/21/09/44/192210944.db2.gz JHWFDLRXPSTUHM-UONOGXRCSA-N 2 3 239.407 1.579 20 0 BDADHP NCC[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420312955 192210946 /nfs/dbraw/zinc/21/09/46/192210946.db2.gz JHWFDLRXPSTUHM-UONOGXRCSA-N 2 3 239.407 1.579 20 0 BDADHP [NH3+]CC[C@H]1CCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420312955 192210947 /nfs/dbraw/zinc/21/09/47/192210947.db2.gz JHWFDLRXPSTUHM-UONOGXRCSA-N 2 3 239.407 1.579 20 0 BDADHP C[C@@H]1C[C@@H](CN)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420322057 192226708 /nfs/dbraw/zinc/22/67/08/192226708.db2.gz RXXLKYPLOZHKJC-AGIUHOORSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@@H](CN)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420322057 192226711 /nfs/dbraw/zinc/22/67/11/192226711.db2.gz RXXLKYPLOZHKJC-AGIUHOORSA-N 2 3 225.380 1.045 20 0 BDADHP CC(C)C[C@H](N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042388563 358522575 /nfs/dbraw/zinc/52/25/75/358522575.db2.gz KNFMDVXQAAPECS-AWEZNQCLSA-N 2 3 241.423 1.633 20 0 BDADHP CC[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423498290 192794770 /nfs/dbraw/zinc/79/47/70/192794770.db2.gz GRSITSBLPVBBSN-VOAKCMCISA-N 2 3 225.380 1.234 20 0 BDADHP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCCN1 ZINC000423498290 192794772 /nfs/dbraw/zinc/79/47/72/192794772.db2.gz GRSITSBLPVBBSN-VOAKCMCISA-N 2 3 225.380 1.234 20 0 BDADHP CC[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000629655568 361560285 /nfs/dbraw/zinc/56/02/85/361560285.db2.gz ZTMOBAVEBBUPDG-ZDEQEGDKSA-N 2 3 225.380 1.105 20 0 BDADHP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000086403734 368880261 /nfs/dbraw/zinc/88/02/61/368880261.db2.gz MMSLHJUZTVPHSI-CHWSQXEVSA-N 2 3 225.380 1.188 20 0 BDADHP CC(C)C[C@@H](N)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000573120262 384035176 /nfs/dbraw/zinc/03/51/76/384035176.db2.gz KEDDPHOBWOIXRX-CQSZACIVSA-N 2 3 235.375 1.608 20 0 BDADHP C([NH2+][C@@H]1CCNC12CCCC2)C1CC[NH2+]CC1 ZINC000647554316 384771972 /nfs/dbraw/zinc/77/19/72/384771972.db2.gz WQOXGIABQMDDOL-CYBMUJFWSA-N 2 3 237.391 1.250 20 0 BDADHP N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647802615 385836270 /nfs/dbraw/zinc/83/62/70/385836270.db2.gz PVVNTJLEXPJOPL-OLZOCXBDSA-N 2 3 219.332 1.115 20 0 BDADHP C[C@H](C[C@H]1CCC[NH2+]1)NCCC[C@H]1CCC[NH2+]1 ZINC000414964708 385908676 /nfs/dbraw/zinc/90/86/76/385908676.db2.gz MRZAFJYGDSKQNT-HZSPNIEDSA-N 2 3 239.407 1.639 20 0 BDADHP C[NH2+]C[C@@H]1CCCN(C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414651752 386071957 /nfs/dbraw/zinc/07/19/57/386071957.db2.gz GDBKRLJNFOJCQL-MCIONIFRSA-N 2 3 239.407 1.306 20 0 BDADHP C[C@@H](N)[C@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655681 386082061 /nfs/dbraw/zinc/08/20/61/386082061.db2.gz DVAMRBDXQPUUGA-LPWJVIDDSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H](N)[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655681 386082066 /nfs/dbraw/zinc/08/20/66/386082066.db2.gz DVAMRBDXQPUUGA-LPWJVIDDSA-N 2 3 225.380 1.044 20 0 BDADHP CC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647935089 386487665 /nfs/dbraw/zinc/48/76/65/386487665.db2.gz ZAOBPOACPXQZKR-YNEHKIRRSA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1N ZINC000647935089 386487670 /nfs/dbraw/zinc/48/76/70/386487670.db2.gz ZAOBPOACPXQZKR-YNEHKIRRSA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1N ZINC000647935089 386487675 /nfs/dbraw/zinc/48/76/75/386487675.db2.gz ZAOBPOACPXQZKR-YNEHKIRRSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCNC2(C)C)CC[NH2+]1 ZINC000415050435 386504837 /nfs/dbraw/zinc/50/48/37/386504837.db2.gz YRZWLMQEFDQTIA-GRYCIOLGSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC2(C)C)CC[NH2+]1 ZINC000415050440 386506531 /nfs/dbraw/zinc/50/65/31/386506531.db2.gz YRZWLMQEFDQTIA-WOPDTQHZSA-N 2 3 225.380 1.105 20 0 BDADHP NC[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000519711313 386541550 /nfs/dbraw/zinc/54/15/50/386541550.db2.gz OJTFAOGBIZWHSX-CHWSQXEVSA-N 2 3 225.380 1.047 20 0 BDADHP NC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000519711313 386541558 /nfs/dbraw/zinc/54/15/58/386541558.db2.gz OJTFAOGBIZWHSX-CHWSQXEVSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]C[C@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000519711313 386541564 /nfs/dbraw/zinc/54/15/64/386541564.db2.gz OJTFAOGBIZWHSX-CHWSQXEVSA-N 2 3 225.380 1.047 20 0 BDADHP NC[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000519711318 386542973 /nfs/dbraw/zinc/54/29/73/386542973.db2.gz OJTFAOGBIZWHSX-OLZOCXBDSA-N 2 3 225.380 1.047 20 0 BDADHP NC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000519711318 386542978 /nfs/dbraw/zinc/54/29/78/386542978.db2.gz OJTFAOGBIZWHSX-OLZOCXBDSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]C[C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000519711318 386542980 /nfs/dbraw/zinc/54/29/80/386542980.db2.gz OJTFAOGBIZWHSX-OLZOCXBDSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@H]1C[C@H](CN[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000415073552 386564561 /nfs/dbraw/zinc/56/45/61/386564561.db2.gz NPQCICIGZDHHSX-UPJWGTAASA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@]1(CN)CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647954657 386682069 /nfs/dbraw/zinc/68/20/69/386682069.db2.gz GAYJUUBGIMPCJU-AWEZNQCLSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@]1(CN)CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647954657 386682080 /nfs/dbraw/zinc/68/20/80/386682080.db2.gz GAYJUUBGIMPCJU-AWEZNQCLSA-N 2 3 239.407 1.437 20 0 BDADHP CC1(C)CCC[NH2+][C@@H]1CNCC1CC[NH2+]CC1 ZINC000414937918 386855927 /nfs/dbraw/zinc/85/59/27/386855927.db2.gz XUPYTNRFJIXPHU-CYBMUJFWSA-N 2 3 239.407 1.354 20 0 BDADHP C(CN1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC000334996826 387087755 /nfs/dbraw/zinc/08/77/55/387087755.db2.gz VYUNURGCAHGILO-KGLIPLIRSA-N 2 3 237.391 1.062 20 0 BDADHP C[C@@H](NCC1(C)CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423344810 387196062 /nfs/dbraw/zinc/19/60/62/387196062.db2.gz YEXPDZUUJSNTHL-OLZOCXBDSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@H](CCC[NH3+])N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423461835 387310520 /nfs/dbraw/zinc/31/05/20/387310520.db2.gz TWTHMFNFURVEFS-LERXQTSPSA-N 2 3 233.359 1.848 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423387360 387270862 /nfs/dbraw/zinc/27/08/62/387270862.db2.gz MNIHUEUEAMQNMX-GFCCVEGCSA-N 2 3 247.386 1.897 20 0 BDADHP C[C@H](CCCC[NH3+])NC[C@H]1[NH2+]CCCC1(C)C ZINC000423391411 387276705 /nfs/dbraw/zinc/27/67/05/387276705.db2.gz PKAKSMGPHJUNMP-CHWSQXEVSA-N 2 3 241.423 1.872 20 0 BDADHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C1CNC1 ZINC000422736088 387642538 /nfs/dbraw/zinc/64/25/38/387642538.db2.gz VTRBJTFETUQOPY-CHWSQXEVSA-N 2 3 241.423 1.694 20 0 BDADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C1CNC1 ZINC000422736092 387643708 /nfs/dbraw/zinc/64/37/08/387643708.db2.gz VTRBJTFETUQOPY-STQMWFEESA-N 2 3 241.423 1.694 20 0 BDADHP CC[NH2+][C@H](C)CN[C@H](C)C1CC[NH+](C)CC1 ZINC000643529605 387777609 /nfs/dbraw/zinc/77/76/09/387777609.db2.gz FZMXARORPUMSGH-VXGBXAGGSA-N 2 3 227.396 1.304 20 0 BDADHP CN1CC=C(C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000423017677 387841113 /nfs/dbraw/zinc/84/11/13/387841113.db2.gz PIUBPYSBVKIHLG-UHFFFAOYSA-N 2 3 237.391 1.355 20 0 BDADHP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000423289479 388074274 /nfs/dbraw/zinc/07/42/74/388074274.db2.gz BBOTUQGKDZQYGI-BPNCWPANSA-N 2 3 233.359 1.676 20 0 BDADHP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000229935980 388805254 /nfs/dbraw/zinc/80/52/54/388805254.db2.gz RRGDXJZHSPBHLQ-KBPBESRZSA-N 2 3 239.407 1.578 20 0 BDADHP CCN(C)C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178982228 134314000 /nfs/dbraw/zinc/31/40/00/134314000.db2.gz ZSQJRAWLMDALAN-AWEZNQCLSA-N 2 3 239.407 1.260 20 0 BDADHP CCN(C)C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178982228 134314001 /nfs/dbraw/zinc/31/40/01/134314001.db2.gz ZSQJRAWLMDALAN-AWEZNQCLSA-N 2 3 239.407 1.260 20 0 BDADHP NC[C@H]1CCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000084216689 135192504 /nfs/dbraw/zinc/19/25/04/135192504.db2.gz CVURJXWSTSIQKH-IKWCTNDRSA-N 2 3 225.380 1.363 20 0 BDADHP C[C@H]1CCNCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747670 410388481 /nfs/dbraw/zinc/38/84/81/410388481.db2.gz FLSBUDQPJAJIHJ-RYUDHWBXSA-N 2 3 225.380 1.093 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761854 410409823 /nfs/dbraw/zinc/40/98/23/410409823.db2.gz MBBMPBJNJBSSIK-UONOGXRCSA-N 2 3 239.407 1.483 20 0 BDADHP C[C@H]([NH2+]C[C@@H]1CCCNC1)C1CC[NH+](C)CC1 ZINC000396454700 410882897 /nfs/dbraw/zinc/88/28/97/410882897.db2.gz XPUJBRGSQCXNBC-QWHCGFSZSA-N 2 3 239.407 1.306 20 0 BDADHP [NH3+][C@H]1CCC[C@@H](NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000656200150 411204193 /nfs/dbraw/zinc/20/41/93/411204193.db2.gz GAWRGURWAYTUCQ-LSDHHAIUSA-N 2 3 245.370 1.649 20 0 BDADHP CC(C)[C@H](N)CC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000663504287 411687233 /nfs/dbraw/zinc/68/72/33/411687233.db2.gz YGJFAZCOVSGEMV-RWMBFGLXSA-N 2 3 227.396 1.338 20 0 BDADHP CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000663503289 411688124 /nfs/dbraw/zinc/68/81/24/411688124.db2.gz NHZKVQFABMDTBZ-XJFOESAGSA-N 2 3 239.407 1.338 20 0 BDADHP C[C@H]1C[C@H](CN2CCC([NH+](C)C)CC2)CC[NH2+]1 ZINC000235661483 177362717 /nfs/dbraw/zinc/36/27/17/177362717.db2.gz NKQKUGNGRXWKKA-QWHCGFSZSA-N 2 3 239.407 1.401 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H](N)C2)CC[NH2+]1 ZINC000414913985 487827511 /nfs/dbraw/zinc/82/75/11/487827511.db2.gz JYVWYQVMODBNFC-FVCCEPFGSA-N 2 3 225.380 1.234 20 0 BDADHP N[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000566481107 323001192 /nfs/dbraw/zinc/00/11/92/323001192.db2.gz ADPCIRKDIGVAQC-RFQIPJPRSA-N 2 3 237.391 1.234 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000566483792 326051507 /nfs/dbraw/zinc/05/15/07/326051507.db2.gz WWGGBJBOPQGUOL-OLZOCXBDSA-N 2 3 223.364 1.156 20 0 BDADHP C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000568856594 326379426 /nfs/dbraw/zinc/37/94/26/326379426.db2.gz AHSYPFYPJULYFM-XDQVBPFNSA-N 2 3 239.407 1.624 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000902393601 584583503 /nfs/dbraw/zinc/58/35/03/584583503.db2.gz QZBOCNSBMNUMAN-STQMWFEESA-N 2 3 239.407 1.354 20 0 BDADHP CC1(C)CNCC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000902403183 584588433 /nfs/dbraw/zinc/58/84/33/584588433.db2.gz DNPXWJGQMFMNGE-IJLUTSLNSA-N 2 3 225.380 1.092 20 0 BDADHP C[C@H]([NH2+][C@@H]1CNCC1(C)C)C1CC[NH+](C)CC1 ZINC000902449080 584605599 /nfs/dbraw/zinc/60/55/99/584605599.db2.gz LUZDHJHXEXDGDO-WCQYABFASA-N 2 3 239.407 1.304 20 0 BDADHP CC(C)([NH3+])CCNCc1ccc2c(c1)C[NH2+]CC2 ZINC000903940130 584829095 /nfs/dbraw/zinc/82/90/95/584829095.db2.gz YCPHWDKSEBVONJ-UHFFFAOYSA-N 2 3 247.386 1.549 20 0 BDADHP CCC1([NH3+])CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000903947999 584830170 /nfs/dbraw/zinc/83/01/70/584830170.db2.gz KKLZWIDHQXNOQL-STQMWFEESA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@]1(C[NH3+])CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904334440 584866888 /nfs/dbraw/zinc/86/68/88/584866888.db2.gz WEFXTEFNDNWFHS-AWEZNQCLSA-N 2 3 233.359 1.316 20 0 BDADHP C[C@H]1CCN(Cc2ccc(C[NH3+])cc2)C[C@@H]1C[NH3+] ZINC000904372221 584873496 /nfs/dbraw/zinc/87/34/96/584873496.db2.gz ZSSIOLDTMIPQMQ-WFASDCNBSA-N 2 3 247.386 1.562 20 0 BDADHP C[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CC[NH2+]CC1 ZINC000904383993 584877007 /nfs/dbraw/zinc/87/70/07/584877007.db2.gz GEGXQPAFVWHFFW-TZMCWYRMSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@]1(C[N@@H+]2CC[C@@H](CC[NH3+])C2)CCCNC1 ZINC000904407286 584879379 /nfs/dbraw/zinc/87/93/79/584879379.db2.gz SKUZCIDWLMVHEF-OLZOCXBDSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@]1(C[N@H+]2CC[C@@H](CC[NH3+])C2)CCCNC1 ZINC000904407286 584879380 /nfs/dbraw/zinc/87/93/80/584879380.db2.gz SKUZCIDWLMVHEF-OLZOCXBDSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@]1(CN2CC[C@@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904407286 584879381 /nfs/dbraw/zinc/87/93/81/584879381.db2.gz SKUZCIDWLMVHEF-OLZOCXBDSA-N 2 3 225.380 1.047 20 0 BDADHP CN(C)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000788474980 585925197 /nfs/dbraw/zinc/92/51/97/585925197.db2.gz MWUNYKMUVHCLIS-UHFFFAOYSA-N 2 3 239.407 1.354 20 0 BDADHP CN(C[C@]1(C)CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843054950 588077831 /nfs/dbraw/zinc/07/78/31/588077831.db2.gz ORDNEIUEAHOCRR-WXRRBKDZSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@H](C[C@@H]1CCC[NH2+]1)NCCCCCC[NH3+] ZINC000843128428 588084887 /nfs/dbraw/zinc/08/48/87/588084887.db2.gz JHUCHZISHXIPPF-OLZOCXBDSA-N 2 3 227.396 1.626 20 0 BDADHP NC[C@@H]1CCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843344053 588101476 /nfs/dbraw/zinc/10/14/76/588101476.db2.gz OHKSZWIFCFWDCJ-NWDGAFQWSA-N 2 3 213.369 1.223 20 0 BDADHP CCN(CC)CCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354525 588103391 /nfs/dbraw/zinc/10/33/91/588103391.db2.gz AMULRFHYRIFARD-UHFFFAOYSA-N 2 3 241.423 1.920 20 0 BDADHP CCN(CC)CCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354525 588103392 /nfs/dbraw/zinc/10/33/92/588103392.db2.gz AMULRFHYRIFARD-UHFFFAOYSA-N 2 3 241.423 1.920 20 0 BDADHP CC[NH+](CC)CCCN(C)C1CCC([NH3+])CC1 ZINC000843354525 588103394 /nfs/dbraw/zinc/10/33/94/588103394.db2.gz AMULRFHYRIFARD-UHFFFAOYSA-N 2 3 241.423 1.920 20 0 BDADHP C[C@@H](N)[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843353067 588103426 /nfs/dbraw/zinc/10/34/26/588103426.db2.gz APVGWOHUMJFUOL-ZIAGYGMSSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@@H](N)[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843353067 588103428 /nfs/dbraw/zinc/10/34/28/588103428.db2.gz APVGWOHUMJFUOL-ZIAGYGMSSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@@H]([NH3+])[C@@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000843353067 588103430 /nfs/dbraw/zinc/10/34/30/588103430.db2.gz APVGWOHUMJFUOL-ZIAGYGMSSA-N 2 3 241.423 1.955 20 0 BDADHP CC[C@@H]1CN(CCCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000843378080 588105784 /nfs/dbraw/zinc/10/57/84/588105784.db2.gz ZBQDXGJVARFLTL-KGLIPLIRSA-N 2 3 241.423 1.955 20 0 BDADHP CC[C@@H]1C[N@H+](CCCCCCC[NH3+])CC[C@@H]1N ZINC000843378080 588105786 /nfs/dbraw/zinc/10/57/86/588105786.db2.gz ZBQDXGJVARFLTL-KGLIPLIRSA-N 2 3 241.423 1.955 20 0 BDADHP CC[C@@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@@H]1N ZINC000843378080 588105788 /nfs/dbraw/zinc/10/57/88/588105788.db2.gz ZBQDXGJVARFLTL-KGLIPLIRSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@H]1CCC[N@H+](CCCCCC[NH3+])[C@@H]1CCN ZINC000846226406 588261567 /nfs/dbraw/zinc/26/15/67/588261567.db2.gz MPPFAZFWFACWSP-UONOGXRCSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@H]1CCC[N@@H+](CCCCCC[NH3+])[C@@H]1CCN ZINC000846226406 588261568 /nfs/dbraw/zinc/26/15/68/588261568.db2.gz MPPFAZFWFACWSP-UONOGXRCSA-N 2 3 241.423 1.955 20 0 BDADHP [NH3+]CCc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848714668 588407922 /nfs/dbraw/zinc/40/79/22/588407922.db2.gz GBLMFIXLKAYQEG-CABCVRRESA-N 2 3 247.386 1.547 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+]CCCCCC[NH3+])C1 ZINC000848714627 588408159 /nfs/dbraw/zinc/40/81/59/588408159.db2.gz RVKDIJYUOFSDPP-NEPJUHHUSA-N 2 3 213.369 1.365 20 0 BDADHP C[C@]12C[NH2+]C[C@H]1CN(CCCCCC[NH3+])C2 ZINC000872154499 589886361 /nfs/dbraw/zinc/88/63/61/589886361.db2.gz RKDOXHXKDVWJBJ-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CC[NH2+]CC1 ZINC000873220098 589999003 /nfs/dbraw/zinc/99/90/03/589999003.db2.gz JJWYPPGYZLKSOH-KGYLQXTDSA-N 2 3 225.380 1.234 20 0 BDADHP CC(C)[C@H](CN)C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221033 589999766 /nfs/dbraw/zinc/99/97/66/589999766.db2.gz XZBJKNUGBYAABC-DGCLKSJQSA-N 2 3 227.396 1.195 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000873249811 590007815 /nfs/dbraw/zinc/00/78/15/590007815.db2.gz OWSPHXSHKKYWSO-IWMBGFJWSA-N 2 3 241.423 1.965 20 0 BDADHP N[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260769 590013337 /nfs/dbraw/zinc/01/33/37/590013337.db2.gz HEUSOYQSSNRJDB-QNSTZXKLSA-N 2 3 237.391 1.377 20 0 BDADHP C[C@@H](N)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925698120 634363316 /nfs/dbraw/zinc/36/33/16/634363316.db2.gz BZEJCTSTDSBZBZ-DGCLKSJQSA-N 2 3 221.348 1.403 20 0 BDADHP C[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CC[NH2+]CC1 ZINC000925731235 646455357 /nfs/dbraw/zinc/45/53/57/646455357.db2.gz ZLAWEUZHOQCNOO-DGCLKSJQSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCNC12CCC2 ZINC000925795801 646486397 /nfs/dbraw/zinc/48/63/97/646486397.db2.gz QICPRYLDGITOED-UPJWGTAASA-N 2 3 237.391 1.106 20 0 BDADHP N[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)C1CC1 ZINC000925700945 711710539 /nfs/dbraw/zinc/71/05/39/711710539.db2.gz XQFWMKTZCICUAX-HUUCEWRRSA-N 2 3 247.386 1.794 20 0 BDADHP C[C@@]1(N)CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001204938497 967244830 /nfs/dbraw/zinc/24/48/30/967244830.db2.gz MJFVJSXDTYDIMB-CHWSQXEVSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@]1(N)CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001204938497 967244837 /nfs/dbraw/zinc/24/48/37/967244837.db2.gz MJFVJSXDTYDIMB-CHWSQXEVSA-N 2 3 225.380 1.189 20 0 BDADHP CN1CCC[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254508624 969678546 /nfs/dbraw/zinc/67/85/46/969678546.db2.gz KPLYMHLQZRLPHN-XQQFMLRXSA-N 2 3 225.380 1.330 20 0 BDADHP C[N@H+]1CC=C(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405437583 971255385 /nfs/dbraw/zinc/25/53/85/971255385.db2.gz UVYPLMFFJLMQBX-CHWSQXEVSA-N 2 3 235.375 1.108 20 0 BDADHP C[N@@H+]1CC=C(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405437583 971255395 /nfs/dbraw/zinc/25/53/95/971255395.db2.gz UVYPLMFFJLMQBX-CHWSQXEVSA-N 2 3 235.375 1.108 20 0 BDADHP CN(C)CC(C)(C)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222527673 972541710 /nfs/dbraw/zinc/54/17/10/972541710.db2.gz OWIHLVYKXFKABL-UHFFFAOYSA-N 2 3 245.386 1.337 20 0 BDADHP N[C@@H](CCC[NH3+])Nc1cccc2c1CC[C@@H]2[NH3+] ZINC001170904324 972077381 /nfs/dbraw/zinc/07/73/81/972077381.db2.gz OCDFZKKZCQDHAG-WCQYABFASA-N 2 3 234.347 1.068 20 0 BDADHP C1CC2(C[C@H]1[NH2+]C1CCNCC1)CC[NH2+]CC2 ZINC001246081857 972137259 /nfs/dbraw/zinc/13/72/59/972137259.db2.gz UMWKKPXVLNIWFP-ZDUSSCGKSA-N 2 3 237.391 1.250 20 0 BDADHP C[C@@]1(N)CC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001204763936 967152477 /nfs/dbraw/zinc/15/24/77/967152477.db2.gz TZSNILUGZIQIGP-CYBMUJFWSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@@]1(N)CC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001204763936 967152488 /nfs/dbraw/zinc/15/24/88/967152488.db2.gz TZSNILUGZIQIGP-CYBMUJFWSA-N 2 3 237.391 1.189 20 0 BDADHP C[NH2+]C1CCC([N@@H+]2CC[C@H](C)[C@H](CN)C2)CC1 ZINC001246548428 972685842 /nfs/dbraw/zinc/68/58/42/972685842.db2.gz GMDVCNLXEQYXHL-MRFVTOPCSA-N 2 3 239.407 1.434 20 0 BDADHP C[NH2+]C1CCC([N@H+]2CC[C@H](C)[C@H](CN)C2)CC1 ZINC001246548428 972685847 /nfs/dbraw/zinc/68/58/47/972685847.db2.gz GMDVCNLXEQYXHL-MRFVTOPCSA-N 2 3 239.407 1.434 20 0 BDADHP C1C[C@@H]2[C@H](CC[N@@H+]2[C@H]2CCC[C@]3(CC[NH2+]C3)C2)N1 ZINC001246627911 973043796 /nfs/dbraw/zinc/04/37/96/973043796.db2.gz AWRPRQATZMDUOJ-XQLPTFJDSA-N 2 3 249.402 1.345 20 0 BDADHP C1C[C@@H]2[C@H](CC[N@H+]2[C@H]2CCC[C@]3(CC[NH2+]C3)C2)N1 ZINC001246627911 973043807 /nfs/dbraw/zinc/04/38/07/973043807.db2.gz AWRPRQATZMDUOJ-XQLPTFJDSA-N 2 3 249.402 1.345 20 0 BDADHP C1C[C@@H]2[C@H](CCN2[C@@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]1 ZINC001246634984 973048846 /nfs/dbraw/zinc/04/88/46/973048846.db2.gz PNAYXLPNNQXTLN-HZSPNIEDSA-N 2 3 249.402 1.345 20 0 BDADHP CC1(C[N@@H+]2CCCC3(CNC3)C2)CC[NH2+]CC1 ZINC001235710619 979128237 /nfs/dbraw/zinc/12/82/37/979128237.db2.gz CIYLGFJKYBOULO-UHFFFAOYSA-N 2 3 237.391 1.062 20 0 BDADHP CC1(C[N@H+]2CCCC3(CNC3)C2)CC[NH2+]CC1 ZINC001235710619 979128243 /nfs/dbraw/zinc/12/82/43/979128243.db2.gz CIYLGFJKYBOULO-UHFFFAOYSA-N 2 3 237.391 1.062 20 0 BDADHP CC1(CN2CCCC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235710619 979128251 /nfs/dbraw/zinc/12/82/51/979128251.db2.gz CIYLGFJKYBOULO-UHFFFAOYSA-N 2 3 237.391 1.062 20 0 BDADHP CC[C@@H](N)C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703003 979129968 /nfs/dbraw/zinc/12/99/68/979129968.db2.gz ZZXSWPLBAQHQQX-CQSZACIVSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@@H](N)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235884348 979179859 /nfs/dbraw/zinc/17/98/59/979179859.db2.gz ZXMSSAITBLKCID-CHWSQXEVSA-N 2 3 225.380 1.188 20 0 BDADHP CC[C@H](N)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235884354 979181516 /nfs/dbraw/zinc/18/15/16/979181516.db2.gz ZXMSSAITBLKCID-QWHCGFSZSA-N 2 3 225.380 1.188 20 0 BDADHP [NH3+]C[C@H]1CCCN1CC1CC2(C1)CC[NH2+]CC2 ZINC001236245887 979466607 /nfs/dbraw/zinc/46/66/07/979466607.db2.gz WDBQVXOSZSHVIN-CYBMUJFWSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@]1(C[NH2+]C2CCNCC2)CCC[NH2+]CC1 ZINC001246092001 987397451 /nfs/dbraw/zinc/39/74/51/987397451.db2.gz BUJSMRSDJDEPNU-ZDUSSCGKSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246093857 987403351 /nfs/dbraw/zinc/40/33/51/987403351.db2.gz LFZPYVVNLOGEGO-MCIONIFRSA-N 2 3 239.407 1.496 20 0 BDADHP CCN1CCC([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC001246106781 987438367 /nfs/dbraw/zinc/43/83/67/987438367.db2.gz FTFLTENTOGJJOR-OLZOCXBDSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1CC[C@@H](N[C@H]2CCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246137614 987495847 /nfs/dbraw/zinc/49/58/47/987495847.db2.gz JMKMVQNOKFLQLJ-UPJWGTAASA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CCN1 ZINC001246199950 987593810 /nfs/dbraw/zinc/59/38/10/987593810.db2.gz BYVKCKAZCFOIEX-NDBYEHHHSA-N 2 3 225.380 1.234 20 0 BDADHP C(N[C@@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC001246225280 987621932 /nfs/dbraw/zinc/62/19/32/987621932.db2.gz OTWCAGVVBCLXMQ-QWHCGFSZSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@@H]1CC[C@H](NCC23CC[NH+](CC2)CC3)C[NH2+]1 ZINC001246266843 987662006 /nfs/dbraw/zinc/66/20/06/987662006.db2.gz SGDTXLUBSPGNGT-OLZOCXBDSA-N 2 3 237.391 1.202 20 0 BDADHP C1[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C12CNC2 ZINC001246446365 987805924 /nfs/dbraw/zinc/80/59/24/987805924.db2.gz RPEXNVITXAAKSD-ZDUSSCGKSA-N 2 3 249.402 1.250 20 0 BDADHP C1[C@H](NC2CCC3(CC[NH2+]CC3)CC2)C12C[NH2+]C2 ZINC001246446365 987805930 /nfs/dbraw/zinc/80/59/30/987805930.db2.gz RPEXNVITXAAKSD-ZDUSSCGKSA-N 2 3 249.402 1.250 20 0 BDADHP C[C@H]1C[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3)CCC[C@@H]1C[NH3+] ZINC001246562445 988002175 /nfs/dbraw/zinc/00/21/75/988002175.db2.gz MWQYSBXKPAQZQO-DRWKLNATSA-N 2 3 249.402 1.352 20 0 BDADHP C[C@H]1C[N@H+](C2C[C@@H]3C=C[C@H](C2)N3)CCC[C@@H]1C[NH3+] ZINC001246562445 988002187 /nfs/dbraw/zinc/00/21/87/988002187.db2.gz MWQYSBXKPAQZQO-DRWKLNATSA-N 2 3 249.402 1.352 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCN1 ZINC001246563947 988017024 /nfs/dbraw/zinc/01/70/24/988017024.db2.gz YHIVVAFXSXOVBQ-YIYPIFLZSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCN1 ZINC001246563947 988017038 /nfs/dbraw/zinc/01/70/38/988017038.db2.gz YHIVVAFXSXOVBQ-YIYPIFLZSA-N 2 3 239.407 1.434 20 0 BDADHP C1C[C@H]2CN(C3CCC4(CC[NH2+]C4)CC3)C[C@H]2[NH2+]1 ZINC001246650487 988379524 /nfs/dbraw/zinc/37/95/24/988379524.db2.gz IQOSBIVPVKHUTA-FGZQJIAISA-N 2 3 249.402 1.202 20 0 BDADHP C[NH2+]C[C@@H](C)CN[C@@H](CCC[NH3+])c1ccccc1 ZINC001119630775 989266574 /nfs/dbraw/zinc/26/65/74/989266574.db2.gz JTRDNZPWRMNENS-HIFRSBDPSA-N 2 3 249.402 1.912 20 0 BDADHP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](CN)C2)CC[NH2+]1 ZINC000576346958 365573747 /nfs/dbraw/zinc/57/37/47/365573747.db2.gz VKJMUXGFLQAORI-AGIUHOORSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](CN)C2)CC[NH2+]1 ZINC000576346958 365573752 /nfs/dbraw/zinc/57/37/52/365573752.db2.gz VKJMUXGFLQAORI-AGIUHOORSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@@H](CN2CCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000576346958 365573757 /nfs/dbraw/zinc/57/37/57/365573757.db2.gz VKJMUXGFLQAORI-AGIUHOORSA-N 2 3 225.380 1.045 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000093215626 343151034 /nfs/dbraw/zinc/15/10/34/343151034.db2.gz LDTUMMJGFJDURF-ZIAGYGMSSA-N 2 3 239.407 1.578 20 0 BDADHP C[NH2+]CCC1CC[NH+](C[C@@H](N)CC(C)C)CC1 ZINC000414657886 529961428 /nfs/dbraw/zinc/96/14/28/529961428.db2.gz IGNGLBLLDBZDCO-AWEZNQCLSA-N 2 3 241.423 1.681 20 0 BDADHP CC(C)[C@@H](CN)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000634991050 345173934 /nfs/dbraw/zinc/17/39/34/345173934.db2.gz OAUXRWDJHLJLIW-AAEUAGOBSA-N 2 3 227.396 1.277 20 0 BDADHP CC(C)[C@@H](C[NH3+])CN1CCC([C@H](C)[NH3+])CC1 ZINC000634991050 345173936 /nfs/dbraw/zinc/17/39/36/345173936.db2.gz OAUXRWDJHLJLIW-AAEUAGOBSA-N 2 3 227.396 1.277 20 0 BDADHP N[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000635006569 345210654 /nfs/dbraw/zinc/21/06/54/345210654.db2.gz SFOYYGKWOBLZQC-ZDEQEGDKSA-N 2 3 225.380 1.363 20 0 BDADHP N[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000635006563 345210704 /nfs/dbraw/zinc/21/07/04/345210704.db2.gz SFOYYGKWOBLZQC-CYDGBPFRSA-N 2 3 225.380 1.363 20 0 BDADHP NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635007819 345215102 /nfs/dbraw/zinc/21/51/02/345215102.db2.gz XYHMLTLJQPHBRA-CYDGBPFRSA-N 2 3 225.380 1.221 20 0 BDADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000582181900 355646026 /nfs/dbraw/zinc/64/60/26/355646026.db2.gz ZITIHCNNWIYTNO-MNOVXSKESA-N 2 3 221.348 1.361 20 0 BDADHP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1CN ZINC000420413214 192240148 /nfs/dbraw/zinc/24/01/48/192240148.db2.gz SUWUCASPQRCLGQ-RDBSUJKOSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1CN ZINC000420413214 192240151 /nfs/dbraw/zinc/24/01/51/192240151.db2.gz SUWUCASPQRCLGQ-RDBSUJKOSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000420413214 192240153 /nfs/dbraw/zinc/24/01/53/192240153.db2.gz SUWUCASPQRCLGQ-RDBSUJKOSA-N 2 3 239.407 1.293 20 0 BDADHP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000226343875 358337741 /nfs/dbraw/zinc/33/77/41/358337741.db2.gz FSUPZLPYGARFEX-QWHCGFSZSA-N 2 3 239.407 1.578 20 0 BDADHP CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000629529104 361138578 /nfs/dbraw/zinc/13/85/78/361138578.db2.gz RTTWKHMDUKMUGS-GRYCIOLGSA-N 2 3 213.369 1.234 20 0 BDADHP [NH3+][C@H]1C[C@H](NC2CCC([NH3+])CC2)c2ccccc21 ZINC000132085737 181342770 /nfs/dbraw/zinc/34/27/70/181342770.db2.gz BIWBCXLRUHKBDH-HBGGEXNNSA-N 2 3 245.370 1.991 20 0 BDADHP C(C[N@@H+]1CC[C@@]2(C1)CCCNC2)[C@H]1CC[NH2+]C1 ZINC000335007726 541419484 /nfs/dbraw/zinc/41/94/84/541419484.db2.gz IQOXLROMUQNURM-KGLIPLIRSA-N 2 3 237.391 1.062 20 0 BDADHP C(C[N@H+]1CC[C@@]2(C1)CCCNC2)[C@H]1CC[NH2+]C1 ZINC000335007726 541419488 /nfs/dbraw/zinc/41/94/88/541419488.db2.gz IQOXLROMUQNURM-KGLIPLIRSA-N 2 3 237.391 1.062 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000580903461 367204311 /nfs/dbraw/zinc/20/43/11/367204311.db2.gz TWKHWTWNZSTCOA-LOWDOPEQSA-N 2 3 225.380 1.363 20 0 BDADHP [NH3+][C@]12CCC[C@H]1CN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC000621784477 370535395 /nfs/dbraw/zinc/53/53/95/370535395.db2.gz PNJUQRKJEWUDRJ-IHRRRGAJSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000643541196 383882798 /nfs/dbraw/zinc/88/27/98/383882798.db2.gz RZVSZPDIODDBAU-MQYQWHSLSA-N 2 3 239.407 1.482 20 0 BDADHP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000518515546 383974131 /nfs/dbraw/zinc/97/41/31/383974131.db2.gz BSVGLIXLEWNVFT-AHPWVWPOSA-N 2 3 239.407 1.719 20 0 BDADHP NCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543236 384712012 /nfs/dbraw/zinc/71/20/12/384712012.db2.gz JTMPWXFWGRHZDY-STQMWFEESA-N 2 3 225.380 1.047 20 0 BDADHP NCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543236 384712017 /nfs/dbraw/zinc/71/20/17/384712017.db2.gz JTMPWXFWGRHZDY-STQMWFEESA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]CCCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543236 384712021 /nfs/dbraw/zinc/71/20/21/384712021.db2.gz JTMPWXFWGRHZDY-STQMWFEESA-N 2 3 225.380 1.047 20 0 BDADHP C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000647546232 384731546 /nfs/dbraw/zinc/73/15/46/384731546.db2.gz GEWQWGFMUPTGCZ-REWJHTLYSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@H]1C[NH2+]C[C@H](NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000647547988 384750273 /nfs/dbraw/zinc/75/02/73/384750273.db2.gz QJUBRCGVHQUSTI-AAVRWANBSA-N 2 3 239.407 1.339 20 0 BDADHP C[C@H]1C[NH2+]C[C@@H](NC2CCC([NH+](C)C)CC2)C1 ZINC000647552121 384758320 /nfs/dbraw/zinc/75/83/20/384758320.db2.gz GRFMCPRHQLEITN-ZIHBUVQPSA-N 2 3 239.407 1.447 20 0 BDADHP C[C@H](C[NH2+][C@H](C)CCC[NH3+])CN1CCCC1 ZINC000309294105 385514289 /nfs/dbraw/zinc/51/42/89/385514289.db2.gz WTSHUQGCTKNJSU-CHWSQXEVSA-N 2 3 227.396 1.435 20 0 BDADHP N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647802616 385836523 /nfs/dbraw/zinc/83/65/23/385836523.db2.gz PVVNTJLEXPJOPL-QWHCGFSZSA-N 2 3 219.332 1.115 20 0 BDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCNC1 ZINC000414995226 386173240 /nfs/dbraw/zinc/17/32/40/386173240.db2.gz NJBINNPYRYGGJW-OMXXWXSESA-N 2 3 237.391 1.092 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2CCN)CC[NH2+]1 ZINC000414794989 386570736 /nfs/dbraw/zinc/57/07/36/386570736.db2.gz UMRXENSFHNMGSD-MGPQQGTHSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2CCN)CC[NH2+]1 ZINC000414794989 386570740 /nfs/dbraw/zinc/57/07/40/386570740.db2.gz UMRXENSFHNMGSD-MGPQQGTHSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@H]1CC2(CN1CC(C)(C)[NH3+])CC[NH2+]CC2 ZINC000335544620 386730169 /nfs/dbraw/zinc/73/01/69/386730169.db2.gz ULRDTCGIGBOPBA-NSHDSACASA-N 2 3 225.380 1.188 20 0 BDADHP C(CN1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC000334994006 387084197 /nfs/dbraw/zinc/08/41/97/387084197.db2.gz REJSFCLWXLZLOX-UONOGXRCSA-N 2 3 237.391 1.062 20 0 BDADHP C[C@H](NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423465975 387312518 /nfs/dbraw/zinc/31/25/18/387312518.db2.gz AGTITRPOTRULHB-IHRRRGAJSA-N 2 3 239.407 1.639 20 0 BDADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423470283 387317530 /nfs/dbraw/zinc/31/75/30/387317530.db2.gz DBRBZIBARFTIHM-XQQFMLRXSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@H](CCCC[NH3+])NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423391412 387275586 /nfs/dbraw/zinc/27/55/86/387275586.db2.gz PKAKSMGPHJUNMP-OLZOCXBDSA-N 2 3 241.423 1.872 20 0 BDADHP C[C@H]1CCNCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423539737 387366273 /nfs/dbraw/zinc/36/62/73/387366273.db2.gz PFGYDDUYAVCYFA-GXTWGEPZSA-N 2 3 237.391 1.274 20 0 BDADHP CCC[NH+]1CCC(C[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000422734280 387643692 /nfs/dbraw/zinc/64/36/92/387643692.db2.gz CGCMSJMMYMUREW-STQMWFEESA-N 2 3 241.423 1.824 20 0 BDADHP C[C@H]1CCNCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000422778065 387675743 /nfs/dbraw/zinc/67/57/43/387675743.db2.gz HBJUXSHLKPYTOV-STQMWFEESA-N 2 3 227.396 1.306 20 0 BDADHP CCC[NH+]1CCC(C[NH2+][C@H](C)C2CNC2)CC1 ZINC000422742770 387690377 /nfs/dbraw/zinc/69/03/77/387690377.db2.gz QJYYZJMESAPMAW-GFCCVEGCSA-N 2 3 239.407 1.306 20 0 BDADHP [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000643523845 387732252 /nfs/dbraw/zinc/73/22/52/387732252.db2.gz BHRCSWZZHQFMBG-DOMZBBRYSA-N 2 3 245.370 1.507 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+]CC[C@H](C)N1CCCCC1 ZINC000423034958 387851218 /nfs/dbraw/zinc/85/12/18/387851218.db2.gz QXKCFUYWCPCEJD-KGLIPLIRSA-N 2 3 241.423 1.968 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423170323 387957304 /nfs/dbraw/zinc/95/73/04/387957304.db2.gz LPGAUAPLKRVLMD-XQQFMLRXSA-N 2 3 227.396 1.434 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423170323 387957308 /nfs/dbraw/zinc/95/73/08/387957308.db2.gz LPGAUAPLKRVLMD-XQQFMLRXSA-N 2 3 227.396 1.434 20 0 BDADHP C[C@@H](NCC[C@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423238447 388022577 /nfs/dbraw/zinc/02/25/77/388022577.db2.gz AKEWJBHMQKWAEU-JHJVBQTASA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423291642 388075709 /nfs/dbraw/zinc/07/57/09/388075709.db2.gz JERALCMCHDZGTP-TUAOUCFPSA-N 2 3 235.375 1.922 20 0 BDADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423293266 388075988 /nfs/dbraw/zinc/07/59/88/388075988.db2.gz QPPQKBYMLODHOP-TUKIKUTGSA-N 2 3 247.386 1.923 20 0 BDADHP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000250830243 135060081 /nfs/dbraw/zinc/06/00/81/135060081.db2.gz ITWKJRLLQNGQDL-MGPQQGTHSA-N 2 3 239.407 1.626 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747668 410387001 /nfs/dbraw/zinc/38/70/01/410387001.db2.gz FLSBUDQPJAJIHJ-NEPJUHHUSA-N 2 3 225.380 1.093 20 0 BDADHP NC[C@H]1CCCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761853 410408973 /nfs/dbraw/zinc/40/89/73/410408973.db2.gz MBBMPBJNJBSSIK-KGLIPLIRSA-N 2 3 239.407 1.483 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762164 410412246 /nfs/dbraw/zinc/41/22/46/410412246.db2.gz VQDXMSHBHBAEAO-QWRGUYRKSA-N 2 3 213.369 1.092 20 0 BDADHP C[C@@H]1C[C@H]([NH3+])CCN1CCCC1CC[NH2+]CC1 ZINC000653299345 410817110 /nfs/dbraw/zinc/81/71/10/410817110.db2.gz PSAKQDUBHNWCGT-TZMCWYRMSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CC[NH+](C)CC1 ZINC000396440744 410882734 /nfs/dbraw/zinc/88/27/34/410882734.db2.gz LECIOBSYTKGEGB-FPMFFAJLSA-N 2 3 239.407 1.576 20 0 BDADHP CC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CC[NH2+]CC1 ZINC000656193036 411198436 /nfs/dbraw/zinc/19/84/36/411198436.db2.gz JHZIRULJWCYBQN-NWDGAFQWSA-N 2 3 225.380 1.236 20 0 BDADHP CC[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000656200083 411203895 /nfs/dbraw/zinc/20/38/95/411203895.db2.gz JFZBWSVPLZZUCG-RQJABVFESA-N 2 3 239.407 1.447 20 0 BDADHP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCN1 ZINC000656200083 411203897 /nfs/dbraw/zinc/20/38/97/411203897.db2.gz JFZBWSVPLZZUCG-RQJABVFESA-N 2 3 239.407 1.447 20 0 BDADHP CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000663503287 411688537 /nfs/dbraw/zinc/68/85/37/411688537.db2.gz NHZKVQFABMDTBZ-IGQOVBAYSA-N 2 3 239.407 1.338 20 0 BDADHP CCNCCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000562956302 323034864 /nfs/dbraw/zinc/03/48/64/323034864.db2.gz TXISDHBWJJDVCZ-NSHDSACASA-N 2 3 201.358 1.093 20 0 BDADHP [NH3+]Cc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000565599134 325932850 /nfs/dbraw/zinc/93/28/50/325932850.db2.gz MKXDTHJDUHCYBA-HUUCEWRRSA-N 2 3 247.386 1.752 20 0 BDADHP CC1(C)C[NH2+]CC[C@@H](NCC2=CC[NH2+]CC2)C1 ZINC000902393961 584583279 /nfs/dbraw/zinc/58/32/79/584583279.db2.gz SMFCWCFUGQVOGH-CYBMUJFWSA-N 2 3 237.391 1.274 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000902393599 584583325 /nfs/dbraw/zinc/58/33/25/584583325.db2.gz QZBOCNSBMNUMAN-OLZOCXBDSA-N 2 3 239.407 1.354 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000902393551 584584025 /nfs/dbraw/zinc/58/40/25/584584025.db2.gz PVIVMOPRCKHWHA-UPJWGTAASA-N 2 3 239.407 1.482 20 0 BDADHP CC1(C)C[C@H](N)C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902491282 584618118 /nfs/dbraw/zinc/61/81/18/584618118.db2.gz WVKUCTKPEGMCDT-DDHJBXDOSA-N 2 3 225.380 1.219 20 0 BDADHP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@]3(C2)CCCNC3)C1 ZINC000903451482 584771817 /nfs/dbraw/zinc/77/18/17/584771817.db2.gz AJHRSHITFOTVRX-BFHYXJOUSA-N 2 3 237.391 1.189 20 0 BDADHP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@]3(C2)CCCNC3)C1 ZINC000903451482 584771818 /nfs/dbraw/zinc/77/18/18/584771818.db2.gz AJHRSHITFOTVRX-BFHYXJOUSA-N 2 3 237.391 1.189 20 0 BDADHP C[NH2+]CC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903715878 584794076 /nfs/dbraw/zinc/79/40/76/584794076.db2.gz BDJQOBAUOYMOKG-CQSZACIVSA-N 2 3 239.407 1.308 20 0 BDADHP [NH3+]CC[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903747247 584794841 /nfs/dbraw/zinc/79/48/41/584794841.db2.gz QMBULJLJDSDCRQ-KBPBESRZSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@H]1CNCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921020 584823008 /nfs/dbraw/zinc/82/30/08/584823008.db2.gz ZWVQSWXURXXACD-RKFYDKJMSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@@H](C[NH3+])CNCc1cccc2c1CC[NH2+]C2 ZINC000903920285 584823418 /nfs/dbraw/zinc/82/34/18/584823418.db2.gz RYDCLWURZIILAF-NSHDSACASA-N 2 3 233.359 1.017 20 0 BDADHP [NH3+]CCCN(Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333986 584866549 /nfs/dbraw/zinc/86/65/49/584866549.db2.gz IJZUGDSKXIIRIA-GASCZTMLSA-N 2 3 247.386 1.575 20 0 BDADHP NCCC[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333986 584866550 /nfs/dbraw/zinc/86/65/50/584866550.db2.gz IJZUGDSKXIIRIA-GASCZTMLSA-N 2 3 247.386 1.575 20 0 BDADHP NCCC[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333986 584866551 /nfs/dbraw/zinc/86/65/51/584866551.db2.gz IJZUGDSKXIIRIA-GASCZTMLSA-N 2 3 247.386 1.575 20 0 BDADHP CC1(C[NH2+]C[C@]2(C)CCCNC2)CC[NH2+]CC1 ZINC000904354515 584870479 /nfs/dbraw/zinc/87/04/79/584870479.db2.gz AWHVTJSTCMYZTE-CQSZACIVSA-N 2 3 239.407 1.355 20 0 BDADHP CCN(CC)CCC[NH2+]C1CC(C[NH3+])C1 ZINC000904368796 584872679 /nfs/dbraw/zinc/87/26/79/584872679.db2.gz VNKIBHAHIGHCNA-UHFFFAOYSA-N 2 3 213.369 1.045 20 0 BDADHP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1CN ZINC000904373550 584873679 /nfs/dbraw/zinc/87/36/79/584873679.db2.gz SYNLNTRVAVDNEE-FHUSYTEZSA-N 2 3 225.380 1.029 20 0 BDADHP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1CN ZINC000904373550 584873680 /nfs/dbraw/zinc/87/36/80/584873680.db2.gz SYNLNTRVAVDNEE-FHUSYTEZSA-N 2 3 225.380 1.029 20 0 BDADHP C[C@@H]1C[N@H+](C[C@@]2(C)CCCNC2)C[C@H]1CC[NH3+] ZINC000904389155 584875007 /nfs/dbraw/zinc/87/50/07/584875007.db2.gz SHVLALXITMNNSA-MCIONIFRSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1C[N@@H+](C[C@@]2(C)CCCNC2)C[C@H]1CC[NH3+] ZINC000904389155 584875008 /nfs/dbraw/zinc/87/50/08/584875008.db2.gz SHVLALXITMNNSA-MCIONIFRSA-N 2 3 239.407 1.293 20 0 BDADHP CC(C)C[C@@H]([NH3+])CN1CC[C@@H](CC[NH3+])C1 ZINC000904407112 584879084 /nfs/dbraw/zinc/87/90/84/584879084.db2.gz NJGQMKMVVWFLDN-VXGBXAGGSA-N 2 3 213.369 1.031 20 0 BDADHP [NH3+]CCc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817949137 586847112 /nfs/dbraw/zinc/84/71/12/586847112.db2.gz OGZXOVOZEZBCML-HUUCEWRRSA-N 2 3 247.386 1.405 20 0 BDADHP [NH3+]CCCCCCCN1CCC([NH3+])CC1 ZINC000843345161 588101923 /nfs/dbraw/zinc/10/19/23/588101923.db2.gz XAHDDVINFSWIEP-UHFFFAOYSA-N 2 3 213.369 1.319 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843353066 588103307 /nfs/dbraw/zinc/10/33/07/588103307.db2.gz APVGWOHUMJFUOL-UONOGXRCSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843353066 588103308 /nfs/dbraw/zinc/10/33/08/588103308.db2.gz APVGWOHUMJFUOL-UONOGXRCSA-N 2 3 241.423 1.955 20 0 BDADHP C[C@H]([NH3+])[C@@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000843353066 588103309 /nfs/dbraw/zinc/10/33/09/588103309.db2.gz APVGWOHUMJFUOL-UONOGXRCSA-N 2 3 241.423 1.955 20 0 BDADHP [NH3+]CCCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000846220344 588261087 /nfs/dbraw/zinc/26/10/87/588261087.db2.gz GOCVQCWPAMRASI-AWEZNQCLSA-N 2 3 239.407 1.581 20 0 BDADHP NC[C@]12CCC[C@H]1C[N@H+](CCCCCC[NH3+])C2 ZINC000846224573 588261525 /nfs/dbraw/zinc/26/15/25/588261525.db2.gz RDGRONZOTYAJQR-KBPBESRZSA-N 2 3 239.407 1.566 20 0 BDADHP NC[C@]12CCC[C@H]1C[N@@H+](CCCCCC[NH3+])C2 ZINC000846224573 588261526 /nfs/dbraw/zinc/26/15/26/588261526.db2.gz RDGRONZOTYAJQR-KBPBESRZSA-N 2 3 239.407 1.566 20 0 BDADHP C[N@H+](CCCCCC[NH3+])C[C@H]1CCCNC1 ZINC000872154938 589886460 /nfs/dbraw/zinc/88/64/60/589886460.db2.gz FXVRGHRNXGMSMU-ZDUSSCGKSA-N 2 3 227.396 1.437 20 0 BDADHP C[N@@H+](CCCCCC[NH3+])C[C@H]1CCCNC1 ZINC000872154938 589886462 /nfs/dbraw/zinc/88/64/62/589886462.db2.gz FXVRGHRNXGMSMU-ZDUSSCGKSA-N 2 3 227.396 1.437 20 0 BDADHP CN(CCCCCC[NH3+])C[C@H]1CCC[NH2+]C1 ZINC000872154938 589886464 /nfs/dbraw/zinc/88/64/64/589886464.db2.gz FXVRGHRNXGMSMU-ZDUSSCGKSA-N 2 3 227.396 1.437 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000873246357 590006556 /nfs/dbraw/zinc/00/65/56/590006556.db2.gz YHCBCPKTRRLLQB-VXGBXAGGSA-N 2 3 227.396 1.482 20 0 BDADHP C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)C1CC[NH2+]CC1 ZINC000873271428 590016041 /nfs/dbraw/zinc/01/60/41/590016041.db2.gz IBKPKSOZOPUROZ-YUTCNCBUSA-N 2 3 239.407 1.482 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925704587 634383395 /nfs/dbraw/zinc/38/33/95/634383395.db2.gz YWSHSSGPMDZSHU-XQQFMLRXSA-N 2 3 237.391 1.201 20 0 BDADHP C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCNC1 ZINC000063120842 632537587 /nfs/dbraw/zinc/53/75/87/632537587.db2.gz LGBQSCAEOZCYFB-CQSZACIVSA-N 2 3 239.407 1.260 20 0 BDADHP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCNC1 ZINC000063120842 632537591 /nfs/dbraw/zinc/53/75/91/632537591.db2.gz LGBQSCAEOZCYFB-CQSZACIVSA-N 2 3 239.407 1.260 20 0 BDADHP N[C@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923279689 644312225 /nfs/dbraw/zinc/31/22/25/644312225.db2.gz BGBOFHCFNYIION-PBNFFQIGSA-N 2 3 237.391 1.330 20 0 BDADHP N[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923279689 644312227 /nfs/dbraw/zinc/31/22/27/644312227.db2.gz BGBOFHCFNYIION-PBNFFQIGSA-N 2 3 237.391 1.330 20 0 BDADHP [NH3+]CC[C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923350080 644363144 /nfs/dbraw/zinc/36/31/44/644363144.db2.gz ZQJQOPHFHHNUMD-GFCCVEGCSA-N 2 3 225.380 1.189 20 0 BDADHP [NH3+]CC[C@H]1CCC[N@H+](CCCNC2CC2)C1 ZINC000923350080 644363150 /nfs/dbraw/zinc/36/31/50/644363150.db2.gz ZQJQOPHFHHNUMD-GFCCVEGCSA-N 2 3 225.380 1.189 20 0 BDADHP [NH3+]CC[C@H]1CCC[N@@H+](CCCNC2CC2)C1 ZINC000923350080 644363156 /nfs/dbraw/zinc/36/31/56/644363156.db2.gz ZQJQOPHFHHNUMD-GFCCVEGCSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@H]1CN(CCC[NH2+]C2CC2)CC[C@@H]1C[NH3+] ZINC000923494525 644471227 /nfs/dbraw/zinc/47/12/27/644471227.db2.gz YLXVZBFQQZDRSK-NWDGAFQWSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[N@H+](CCCNC2CC2)CC[C@@H]1C[NH3+] ZINC000923494525 644471233 /nfs/dbraw/zinc/47/12/33/644471233.db2.gz YLXVZBFQQZDRSK-NWDGAFQWSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[N@@H+](CCCNC2CC2)CC[C@@H]1C[NH3+] ZINC000923494525 644471236 /nfs/dbraw/zinc/47/12/36/644471236.db2.gz YLXVZBFQQZDRSK-NWDGAFQWSA-N 2 3 225.380 1.045 20 0 BDADHP C[NH+]1CCC(C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925492004 646298728 /nfs/dbraw/zinc/29/87/28/646298728.db2.gz GRIMCTLLCQBIOV-CYBMUJFWSA-N 2 3 237.391 1.202 20 0 BDADHP C[C@@H]1[NH2+]CCC[C@H]1NCCC[C@H]1CCC[NH2+]1 ZINC000925706676 646431031 /nfs/dbraw/zinc/43/10/31/646431031.db2.gz KGQLQIADNDXELL-YNEHKIRRSA-N 2 3 225.380 1.249 20 0 BDADHP C[C@H](NCC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000925798370 646486769 /nfs/dbraw/zinc/48/67/69/646486769.db2.gz WHQUBJLHBFAPHB-XJFOESAGSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@@]1(C[NH3+])CCC[N@@H+](C2CCNCC2)CC1 ZINC001246579311 972918834 /nfs/dbraw/zinc/91/88/34/972918834.db2.gz UIDUUCCHQIRPSG-CYBMUJFWSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@]1(C[NH3+])CCC[N@H+](C2CCNCC2)CC1 ZINC001246579311 972918863 /nfs/dbraw/zinc/91/88/63/972918863.db2.gz UIDUUCCHQIRPSG-CYBMUJFWSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@H]1C[C@H]([NH2+]CC23CC[NH+](CC2)CC3)CCN1 ZINC001246263868 972250972 /nfs/dbraw/zinc/25/09/72/972250972.db2.gz LPJDBUFKFZFDBK-QWHCGFSZSA-N 2 3 237.391 1.202 20 0 BDADHP C[C@@]1(N)CCC[N@H+](CCCCCC[NH3+])C1 ZINC001204939451 967243069 /nfs/dbraw/zinc/24/30/69/967243069.db2.gz RLOUJVSYEUHVJU-GFCCVEGCSA-N 2 3 213.369 1.319 20 0 BDADHP C[C@@]1(N)CCC[N@@H+](CCCCCC[NH3+])C1 ZINC001204939451 967243081 /nfs/dbraw/zinc/24/30/81/967243081.db2.gz RLOUJVSYEUHVJU-GFCCVEGCSA-N 2 3 213.369 1.319 20 0 BDADHP C[C@H]1CC[C@H](CN)[N@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001205842932 967850311 /nfs/dbraw/zinc/85/03/11/967850311.db2.gz PYDJZYVCCLWSPM-SWLSCSKDSA-N 2 3 247.386 1.705 20 0 BDADHP C[C@H]1CC[C@H](CN)[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001205842932 967850313 /nfs/dbraw/zinc/85/03/13/967850313.db2.gz PYDJZYVCCLWSPM-SWLSCSKDSA-N 2 3 247.386 1.705 20 0 BDADHP NC[C@H]1CCCC[N@H+](CCCCC[NH3+])C1 ZINC001206606043 968416838 /nfs/dbraw/zinc/41/68/38/968416838.db2.gz BJWJVDRGWRSRLC-GFCCVEGCSA-N 2 3 213.369 1.176 20 0 BDADHP NC[C@H]1CCCC[N@@H+](CCCCC[NH3+])C1 ZINC001206606043 968416847 /nfs/dbraw/zinc/41/68/47/968416847.db2.gz BJWJVDRGWRSRLC-GFCCVEGCSA-N 2 3 213.369 1.176 20 0 BDADHP C[NH2+]C1CCC([N@@H+]2CC[C@H](C)[C@@H](CN)C2)CC1 ZINC001246548412 972686775 /nfs/dbraw/zinc/68/67/75/972686775.db2.gz GMDVCNLXEQYXHL-FEPKRQSRSA-N 2 3 239.407 1.434 20 0 BDADHP C[NH2+]C1CCC([N@H+]2CC[C@H](C)[C@@H](CN)C2)CC1 ZINC001246548412 972686784 /nfs/dbraw/zinc/68/67/84/972686784.db2.gz GMDVCNLXEQYXHL-FEPKRQSRSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246579273 972914510 /nfs/dbraw/zinc/91/45/10/972914510.db2.gz UAQNBBQHRXTQQA-MCIONIFRSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246579273 972914519 /nfs/dbraw/zinc/91/45/19/972914519.db2.gz UAQNBBQHRXTQQA-MCIONIFRSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H]1[C@@H](CN)CCC[N@@H+]1CCCCCC[NH3+] ZINC001205902548 983115316 /nfs/dbraw/zinc/11/53/16/983115316.db2.gz KGVUQDOJUFESRE-CHWSQXEVSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@@H]1[C@@H](CN)CCC[N@H+]1CCCCCC[NH3+] ZINC001205902548 983115323 /nfs/dbraw/zinc/11/53/23/983115323.db2.gz KGVUQDOJUFESRE-CHWSQXEVSA-N 2 3 227.396 1.565 20 0 BDADHP CN1C[C@@H]2CC[C@H]([NH2+]C3CCC([NH3+])CC3)[C@@H]2C1 ZINC001578520743 984214410 /nfs/dbraw/zinc/21/44/10/984214410.db2.gz GEPUEUARRLXNOD-MGYRSQIZSA-N 2 3 237.391 1.186 20 0 BDADHP CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC([NH3+])CC3)[C@H]2C1 ZINC001578520742 984216599 /nfs/dbraw/zinc/21/65/99/984216599.db2.gz GEPUEUARRLXNOD-FDZXDKCCSA-N 2 3 237.391 1.186 20 0 BDADHP CC[NH+]1CCC(CN(C)CCC[NH2+]C)CC1 ZINC001577764053 984731321 /nfs/dbraw/zinc/73/13/21/984731321.db2.gz PJPLXNOZQGIBOF-UHFFFAOYSA-N 2 3 227.396 1.260 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246161926 987524008 /nfs/dbraw/zinc/52/40/08/987524008.db2.gz BYVKCKAZCFOIEX-CYDGBPFRSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+](C)C)CCN1 ZINC001246173641 987537272 /nfs/dbraw/zinc/53/72/72/987537272.db2.gz URQDXSIJMGEGMR-STQMWFEESA-N 2 3 227.396 1.448 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CC[NH2+]CC3)CCN1 ZINC001246180767 987555047 /nfs/dbraw/zinc/55/50/47/987555047.db2.gz PITSUCPBQHOKGI-JHJVBQTASA-N 2 3 237.391 1.106 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CCN1 ZINC001246199951 987595894 /nfs/dbraw/zinc/59/58/94/987595894.db2.gz BYVKCKAZCFOIEX-RVMXOQNASA-N 2 3 225.380 1.234 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]CC2)CCN1 ZINC001246223265 987619368 /nfs/dbraw/zinc/61/93/68/987619368.db2.gz JPBPCFJCFKSELH-UPJWGTAASA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H](CCN)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246300773 987697513 /nfs/dbraw/zinc/69/75/13/987697513.db2.gz OQYIINPXBZXMFU-GFCCVEGCSA-N 2 3 239.407 1.626 20 0 BDADHP C[C@@H]1[C@H]([NH3+])CCN1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246550393 987946541 /nfs/dbraw/zinc/94/65/41/987946541.db2.gz PFKDTHRUEPOUPK-FRRDWIJNSA-N 2 3 237.391 1.330 20 0 BDADHP C1C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@@]2(C1)CCCNC2 ZINC001246608808 988233656 /nfs/dbraw/zinc/23/36/56/988233656.db2.gz JYHHTOJUEUCJMF-LXTVHRRPSA-N 2 3 249.402 1.202 20 0 BDADHP C1C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@@]2(C1)CCCNC2 ZINC001246608808 988233662 /nfs/dbraw/zinc/23/36/62/988233662.db2.gz JYHHTOJUEUCJMF-LXTVHRRPSA-N 2 3 249.402 1.202 20 0 BDADHP C1[NH2+]CC12CC[C@H]([N@@H+]1CCC[C@]13CCCNC3)C2 ZINC001246611069 988242520 /nfs/dbraw/zinc/24/25/20/988242520.db2.gz RHYBSJZVHBQDNX-ZFWWWQNUSA-N 2 3 249.402 1.347 20 0 BDADHP C1[NH2+]CC12CC[C@H]([N@H+]1CCC[C@]13CCCNC3)C2 ZINC001246611069 988242532 /nfs/dbraw/zinc/24/25/32/988242532.db2.gz RHYBSJZVHBQDNX-ZFWWWQNUSA-N 2 3 249.402 1.347 20 0 BDADHP C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246628053 988297445 /nfs/dbraw/zinc/29/74/45/988297445.db2.gz LZAUMBYYKQTIII-IGQOVBAYSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246628053 988297470 /nfs/dbraw/zinc/29/74/70/988297470.db2.gz LZAUMBYYKQTIII-IGQOVBAYSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246914132 988702364 /nfs/dbraw/zinc/70/23/64/988702364.db2.gz ZGIIDMFQWOQJOS-LPWJVIDDSA-N 2 3 225.380 1.329 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246914132 988702376 /nfs/dbraw/zinc/70/23/76/988702376.db2.gz ZGIIDMFQWOQJOS-LPWJVIDDSA-N 2 3 225.380 1.329 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000580893488 398169111 /nfs/dbraw/zinc/16/91/11/398169111.db2.gz SQPNDKWHRZAEBU-XHJNMGKDSA-N 2 3 237.391 1.234 20 0 BDADHP NC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635007837 345215228 /nfs/dbraw/zinc/21/52/28/345215228.db2.gz XYHMLTLJQPHBRA-FDYHWXHSSA-N 2 3 225.380 1.221 20 0 BDADHP CN(CC[C@H]1CCC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000420294437 192204007 /nfs/dbraw/zinc/20/40/07/192204007.db2.gz SSMMVGIKKWWZBI-GFCCVEGCSA-N 2 3 227.396 1.293 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000583882660 358118111 /nfs/dbraw/zinc/11/81/11/358118111.db2.gz OWUONGRVVXXLFZ-FRRDWIJNSA-N 2 3 225.380 1.378 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000086403881 358968471 /nfs/dbraw/zinc/96/84/71/358968471.db2.gz FAUSWNJMBSFIQZ-VXGBXAGGSA-N 2 3 213.369 1.188 20 0 BDADHP CC[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423498286 192794736 /nfs/dbraw/zinc/79/47/36/192794736.db2.gz GRSITSBLPVBBSN-RNJOBUHISA-N 2 3 225.380 1.234 20 0 BDADHP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCCN1 ZINC000423498286 192794738 /nfs/dbraw/zinc/79/47/38/192794738.db2.gz GRSITSBLPVBBSN-RNJOBUHISA-N 2 3 225.380 1.234 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000089150428 368937339 /nfs/dbraw/zinc/93/73/39/368937339.db2.gz XVXLBZXTWOOEHD-KGLIPLIRSA-N 2 3 239.407 1.435 20 0 BDADHP [NH3+][C@]12CCC[C@H]1CN(CCC1CC[NH2+]CC1)C2 ZINC000621781412 370530603 /nfs/dbraw/zinc/53/06/03/370530603.db2.gz DQOVXESFPVHOOA-KBPBESRZSA-N 2 3 237.391 1.189 20 0 BDADHP [NH3+][C@]12CCC[C@@H]1CN(CC[C@H]1CCC[NH2+]C1)C2 ZINC000621784478 370535746 /nfs/dbraw/zinc/53/57/46/370535746.db2.gz PNJUQRKJEWUDRJ-MCIONIFRSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000643541206 383883374 /nfs/dbraw/zinc/88/33/74/383883374.db2.gz RZVSZPDIODDBAU-RQJABVFESA-N 2 3 239.407 1.482 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548700 384038766 /nfs/dbraw/zinc/03/87/66/384038766.db2.gz TZQLFBLLBLFZLF-OLZOCXBDSA-N 2 3 239.407 1.768 20 0 BDADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1 ZINC000647547393 384735547 /nfs/dbraw/zinc/73/55/47/384735547.db2.gz UYJVFNKWXRAVIW-XVIXHAIJSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@H]1C[NH2+]C[C@@H](NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000647547989 384749909 /nfs/dbraw/zinc/74/99/09/384749909.db2.gz QJUBRCGVHQUSTI-SYQHCUMBSA-N 2 3 239.407 1.339 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H](NC2CCC([NH+](C)C)CC2)C1 ZINC000647552120 384757736 /nfs/dbraw/zinc/75/77/36/384757736.db2.gz GRFMCPRHQLEITN-RJZJGCCBSA-N 2 3 239.407 1.447 20 0 BDADHP C(CN1CC[C@@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000336366156 385184537 /nfs/dbraw/zinc/18/45/37/385184537.db2.gz XFDJQPNKKAWZCX-CQSZACIVSA-N 2 3 237.391 1.062 20 0 BDADHP C[C@H]1CCNCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335037664 385929402 /nfs/dbraw/zinc/92/94/02/385929402.db2.gz DCSISZRXUWAKIS-JSGCOSHPSA-N 2 3 239.407 1.306 20 0 BDADHP CC1([NH3+])CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000647924970 385962453 /nfs/dbraw/zinc/96/24/53/385962453.db2.gz ZKXGSMMOZAARMB-GFCCVEGCSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@]1(CNCCC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000414970618 385963067 /nfs/dbraw/zinc/96/30/67/385963067.db2.gz VLWPJFDSSYEPGW-STQMWFEESA-N 2 3 225.380 1.108 20 0 BDADHP C[C@]1(CNCCC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000414970615 385964300 /nfs/dbraw/zinc/96/43/00/385964300.db2.gz VLWPJFDSSYEPGW-CHWSQXEVSA-N 2 3 225.380 1.108 20 0 BDADHP CC(C)C[C@@H](N)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000414665787 386118078 /nfs/dbraw/zinc/11/80/78/386118078.db2.gz FSXVTXWWVQQYBO-DGCLKSJQSA-N 2 3 227.396 1.419 20 0 BDADHP NCC1(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000414777513 386485261 /nfs/dbraw/zinc/48/52/61/386485261.db2.gz XXKRGKAGFWAGTQ-CYBMUJFWSA-N 2 3 237.391 1.047 20 0 BDADHP C[C@@H]1C[C@H](CN2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414770136 386456841 /nfs/dbraw/zinc/45/68/41/386456841.db2.gz XTROPQCYCOZFIP-MGPQQGTHSA-N 2 3 237.391 1.060 20 0 BDADHP NC[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000519711321 386541939 /nfs/dbraw/zinc/54/19/39/386541939.db2.gz OJTFAOGBIZWHSX-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP NC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000519711321 386541942 /nfs/dbraw/zinc/54/19/42/386541942.db2.gz OJTFAOGBIZWHSX-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]C[C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000519711321 386541948 /nfs/dbraw/zinc/54/19/48/386541948.db2.gz OJTFAOGBIZWHSX-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2CCN)CC[NH2+]1 ZINC000414794990 386570796 /nfs/dbraw/zinc/57/07/96/386570796.db2.gz UMRXENSFHNMGSD-RDBSUJKOSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2CCN)CC[NH2+]1 ZINC000414794990 386570801 /nfs/dbraw/zinc/57/08/01/386570801.db2.gz UMRXENSFHNMGSD-RDBSUJKOSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H]([NH3+])c1ccc(CNCC2(C[NH3+])CC2)cc1 ZINC000414817224 386652685 /nfs/dbraw/zinc/65/26/85/386652685.db2.gz RSLBBVJRJUQBQS-LLVKDONJSA-N 2 3 233.359 1.535 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000333830636 387058066 /nfs/dbraw/zinc/05/80/66/387058066.db2.gz MNAQASUQEGHWEO-AVGNSLFASA-N 2 3 225.380 1.093 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000333830640 387058216 /nfs/dbraw/zinc/05/82/16/387058216.db2.gz MNAQASUQEGHWEO-FRRDWIJNSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@@H](NCC1(C)CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423344809 387196134 /nfs/dbraw/zinc/19/61/34/387196134.db2.gz YEXPDZUUJSNTHL-CHWSQXEVSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423387361 387272296 /nfs/dbraw/zinc/27/22/96/387272296.db2.gz MNIHUEUEAMQNMX-LBPRGKRZSA-N 2 3 247.386 1.897 20 0 BDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc2c(c1)C[NH2+]C2 ZINC000423393065 387278192 /nfs/dbraw/zinc/27/81/92/387278192.db2.gz QIYJTJHGGFCVRM-WDEREUQCSA-N 2 3 233.359 1.505 20 0 BDADHP C[C@H](CCCC[NH3+])N[C@H]1CCCC[NH2+]C1 ZINC000423553586 387372317 /nfs/dbraw/zinc/37/23/17/387372317.db2.gz KMSOSAYYCHGSBP-NEPJUHHUSA-N 2 3 213.369 1.236 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000422832848 387726133 /nfs/dbraw/zinc/72/61/33/387726133.db2.gz GHOGTYFOHSXTLS-HZSPNIEDSA-N 2 3 241.423 1.966 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)CN1CCCC1 ZINC000423082745 387878939 /nfs/dbraw/zinc/87/89/39/387878939.db2.gz XFXARMOWBRYURX-CYBMUJFWSA-N 2 3 241.423 1.825 20 0 BDADHP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@H]1CN ZINC000420405395 388000175 /nfs/dbraw/zinc/00/01/75/388000175.db2.gz MTHYODRXRPYFTF-TZMCWYRMSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1CN ZINC000420405395 388000178 /nfs/dbraw/zinc/00/01/78/388000178.db2.gz MTHYODRXRPYFTF-TZMCWYRMSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CCN(CCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000420405395 388000182 /nfs/dbraw/zinc/00/01/82/388000182.db2.gz MTHYODRXRPYFTF-TZMCWYRMSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@H](NCC[C@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423238651 388022836 /nfs/dbraw/zinc/02/28/36/388022836.db2.gz AKEWJBHMQKWAEU-YNEHKIRRSA-N 2 3 225.380 1.106 20 0 BDADHP C[NH+](C)C1CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000423275073 388055428 /nfs/dbraw/zinc/05/54/28/388055428.db2.gz MSSLCNKSIDISOX-ABXWRUBCSA-N 2 3 239.407 1.576 20 0 BDADHP NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423267478 388045634 /nfs/dbraw/zinc/04/56/34/388045634.db2.gz FEULCHAPRATLNB-AGIUHOORSA-N 2 3 225.380 1.093 20 0 BDADHP C[N@H+]1CC=C(CN[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000336345885 388457191 /nfs/dbraw/zinc/45/71/91/388457191.db2.gz HDHWVJXYTVQFAI-LSDHHAIUSA-N 2 3 249.402 1.465 20 0 BDADHP C[N@@H+]1CC=C(CN[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000336345885 388457196 /nfs/dbraw/zinc/45/71/96/388457196.db2.gz HDHWVJXYTVQFAI-LSDHHAIUSA-N 2 3 249.402 1.465 20 0 BDADHP C[NH+]1CC=C(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000336345885 388457198 /nfs/dbraw/zinc/45/71/98/388457198.db2.gz HDHWVJXYTVQFAI-LSDHHAIUSA-N 2 3 249.402 1.465 20 0 BDADHP C[NH+]1CC=C(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000336345885 388457202 /nfs/dbraw/zinc/45/72/02/388457202.db2.gz HDHWVJXYTVQFAI-LSDHHAIUSA-N 2 3 249.402 1.465 20 0 BDADHP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCCNC2)C1 ZINC000564971277 388904470 /nfs/dbraw/zinc/90/44/70/388904470.db2.gz UMWGVPBIDYGDCH-FRRDWIJNSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335568336 136108142 /nfs/dbraw/zinc/10/81/42/136108142.db2.gz KCCSQLSVAIEJQQ-CHWSQXEVSA-N 2 3 239.407 1.354 20 0 BDADHP N[C@H]1CCC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000334848775 487573620 /nfs/dbraw/zinc/57/36/20/487573620.db2.gz SFOYYGKWOBLZQC-MVKMKZAISA-N 2 3 225.380 1.363 20 0 BDADHP C[NH2+]CCCN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294139 409624892 /nfs/dbraw/zinc/62/48/92/409624892.db2.gz PJUSTDWZXSSFKW-CQSZACIVSA-N 2 3 239.407 1.308 20 0 BDADHP C[NH2+]CCCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294136 409624924 /nfs/dbraw/zinc/62/49/24/409624924.db2.gz PJUSTDWZXSSFKW-AWEZNQCLSA-N 2 3 239.407 1.308 20 0 BDADHP CC1(C[NH2+][C@H]2CCC[C@H](N)C2)CC[NH2+]CC1 ZINC000656193037 411198585 /nfs/dbraw/zinc/19/85/85/411198585.db2.gz JHZIRULJWCYBQN-RYUDHWBXSA-N 2 3 225.380 1.236 20 0 BDADHP CCC1([NH3+])CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000903947996 584829277 /nfs/dbraw/zinc/82/92/77/584829277.db2.gz KKLZWIDHQXNOQL-CHWSQXEVSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@]1(C[NH2+]CCC[C@@H]2CCC[NH2+]2)CCCNC1 ZINC000904354207 584870452 /nfs/dbraw/zinc/87/04/52/584870452.db2.gz CXFXUVCKNSQMQL-KGLIPLIRSA-N 2 3 239.407 1.498 20 0 BDADHP C[C@@]1(C[NH2+]CCCCCC[NH3+])CCCNC1 ZINC000904373165 584873948 /nfs/dbraw/zinc/87/39/48/584873948.db2.gz CAFTYEJAYGZARG-ZDUSSCGKSA-N 2 3 227.396 1.485 20 0 BDADHP CC(C)[C@H]([NH3+])CCNCc1ccc(C[NH3+])cc1 ZINC000904378943 584876832 /nfs/dbraw/zinc/87/68/32/584876832.db2.gz NFXZLKDMEPKBFB-CQSZACIVSA-N 2 3 235.375 1.608 20 0 BDADHP N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947610 586847067 /nfs/dbraw/zinc/84/70/67/586847067.db2.gz CBDDFVNZRLWXOC-KGLIPLIRSA-N 2 3 233.359 1.157 20 0 BDADHP C[C@H]1CCNCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843344101 588101542 /nfs/dbraw/zinc/10/15/42/588101542.db2.gz QMBGDENJAXPNFD-QWHCGFSZSA-N 2 3 227.396 1.483 20 0 BDADHP C[NH2+]C[C@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000843345974 588102122 /nfs/dbraw/zinc/10/21/22/588102122.db2.gz IJYVJGKTSZEVCN-CQSZACIVSA-N 2 3 241.423 1.827 20 0 BDADHP NC[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000843348774 588102712 /nfs/dbraw/zinc/10/27/12/588102712.db2.gz XJRRBNROUADFLQ-LBPRGKRZSA-N 2 3 213.369 1.176 20 0 BDADHP NC[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843348774 588102714 /nfs/dbraw/zinc/10/27/14/588102714.db2.gz XJRRBNROUADFLQ-LBPRGKRZSA-N 2 3 213.369 1.176 20 0 BDADHP C[C@H]1CN(CCCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000843354288 588103317 /nfs/dbraw/zinc/10/33/17/588103317.db2.gz XNYIWZODGKSEAZ-QWHCGFSZSA-N 2 3 227.396 1.565 20 0 BDADHP NCC[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846220322 588261008 /nfs/dbraw/zinc/26/10/08/588261008.db2.gz FXHXMLHPQNPTIJ-ZDUSSCGKSA-N 2 3 227.396 1.709 20 0 BDADHP NCC[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846220322 588261009 /nfs/dbraw/zinc/26/10/09/588261009.db2.gz FXHXMLHPQNPTIJ-ZDUSSCGKSA-N 2 3 227.396 1.709 20 0 BDADHP CN(CCCCCC[NH3+])C[C@@H]1CC[NH2+]C1 ZINC000872154918 589886565 /nfs/dbraw/zinc/88/65/65/589886565.db2.gz FHWDTQPUGZHXNL-GFCCVEGCSA-N 2 3 213.369 1.047 20 0 BDADHP C[C@H]([NH2+][C@@H]1CCCNCC1)C1CC[NH2+]CC1 ZINC000873220690 589998492 /nfs/dbraw/zinc/99/84/92/589998492.db2.gz RIBFEMFVJCNJEI-WCQYABFASA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]([NH2+][C@@H]1CCCNCC1)C1CC[NH2+]CC1 ZINC000873220689 589999092 /nfs/dbraw/zinc/99/90/92/589999092.db2.gz RIBFEMFVJCNJEI-DGCLKSJQSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]([NH2+][C@@H](C)C[C@H](C)N)C1CC[NH2+]CC1 ZINC000873270215 590016507 /nfs/dbraw/zinc/01/65/07/590016507.db2.gz PLSVNLACQWFQCI-GARJFASQSA-N 2 3 213.369 1.090 20 0 BDADHP C[C@@H](CCC[NH3+])[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925706783 634391637 /nfs/dbraw/zinc/39/16/37/634391637.db2.gz KLOJWLZEUUTWMY-RNJOBUHISA-N 2 3 239.407 1.480 20 0 BDADHP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000229938012 640996568 /nfs/dbraw/zinc/99/65/68/640996568.db2.gz VFNQAVYEZPNQMP-UONOGXRCSA-N 2 3 239.407 1.435 20 0 BDADHP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000084220967 643649695 /nfs/dbraw/zinc/64/96/95/643649695.db2.gz GOCIWWDFYQOGSE-OLZOCXBDSA-N 2 3 225.380 1.045 20 0 BDADHP C(CNC1CC1)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923329141 644346560 /nfs/dbraw/zinc/34/65/60/644346560.db2.gz YHDCJYXHXKBTRN-UHFFFAOYSA-N 2 3 237.391 1.204 20 0 BDADHP C(CNC1CC1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923329141 644346564 /nfs/dbraw/zinc/34/65/64/644346564.db2.gz YHDCJYXHXKBTRN-UHFFFAOYSA-N 2 3 237.391 1.204 20 0 BDADHP C(C[NH2+]C1CC1)CN1CCC2(C1)CC[NH2+]CC2 ZINC000923329141 644346568 /nfs/dbraw/zinc/34/65/68/644346568.db2.gz YHDCJYXHXKBTRN-UHFFFAOYSA-N 2 3 237.391 1.204 20 0 BDADHP C(C[N@@H+]1CC[C@]2(C1)CCCCN2)[C@H]1CC[NH2+]C1 ZINC000923532279 644490436 /nfs/dbraw/zinc/49/04/36/644490436.db2.gz AHPBJRCXQFUAGP-KGLIPLIRSA-N 2 3 237.391 1.204 20 0 BDADHP C(C[N@H+]1CC[C@]2(C1)CCCCN2)[C@H]1CC[NH2+]C1 ZINC000923532279 644490439 /nfs/dbraw/zinc/49/04/39/644490439.db2.gz AHPBJRCXQFUAGP-KGLIPLIRSA-N 2 3 237.391 1.204 20 0 BDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCNC1CC1 ZINC000925711388 646436465 /nfs/dbraw/zinc/43/64/65/646436465.db2.gz YRPKVFPEYPBDLS-KCXRBIIJSA-N 2 3 237.391 1.234 20 0 BDADHP CN(C1CC1)C1CC[NH+](CCCC[NH3+])CC1 ZINC001236094450 979382275 /nfs/dbraw/zinc/38/22/75/979382275.db2.gz UUADDNBVGUWYJA-UHFFFAOYSA-N 2 3 225.380 1.284 20 0 BDADHP CC1(C)C[C@H](N2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246539646 972541548 /nfs/dbraw/zinc/54/15/48/972541548.db2.gz SCWSSNXRMKMBJF-GFCCVEGCSA-N 2 3 225.380 1.188 20 0 BDADHP CC1(C)C[C@H]([NH+]2CCC(C[NH3+])CC2)CCN1 ZINC001246539646 972541562 /nfs/dbraw/zinc/54/15/62/972541562.db2.gz SCWSSNXRMKMBJF-GFCCVEGCSA-N 2 3 225.380 1.188 20 0 BDADHP N[C@H](CCC[NH3+])Nc1ccc(C2([NH3+])CC2)cc1 ZINC001170900248 972066252 /nfs/dbraw/zinc/06/62/52/972066252.db2.gz QRFBZZCDGVTXBG-LBPRGKRZSA-N 2 3 234.347 1.070 20 0 BDADHP C1CC12CNC[C@H]2[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246131373 972189422 /nfs/dbraw/zinc/18/94/22/972189422.db2.gz JNRLLFPVMWIBPQ-MJBXVCDLSA-N 2 3 249.402 1.250 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC001246223681 972233380 /nfs/dbraw/zinc/23/33/80/972233380.db2.gz UPWIWZKKMSGTJM-KSTCHIGDSA-N 2 3 237.391 1.247 20 0 BDADHP CC(C)[NH2+]CCNC1CCC2(CC[NH2+]C2)CC1 ZINC001246452058 972319980 /nfs/dbraw/zinc/31/99/80/972319980.db2.gz ITURQEYFINZUQN-UHFFFAOYSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@]1([NH3+])CCN([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533152 972459544 /nfs/dbraw/zinc/45/95/44/972459544.db2.gz CARKSWYVQJLNEN-STQMWFEESA-N 2 3 237.391 1.332 20 0 BDADHP C[C@@]1([NH3+])CCN([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533137 972460534 /nfs/dbraw/zinc/46/05/34/972460534.db2.gz CARKSWYVQJLNEN-CHWSQXEVSA-N 2 3 237.391 1.332 20 0 BDADHP [NH3+]Cc1cccc(CN2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206640379 962271307 /nfs/dbraw/zinc/27/13/07/962271307.db2.gz JIMCIUQTDQTMNM-HNNXBMFYSA-N 2 3 247.386 1.706 20 0 BDADHP C[C@]1(N)CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001204938500 967243304 /nfs/dbraw/zinc/24/33/04/967243304.db2.gz MJFVJSXDTYDIMB-STQMWFEESA-N 2 3 225.380 1.189 20 0 BDADHP C[C@]1(N)CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001204938500 967243310 /nfs/dbraw/zinc/24/33/10/967243310.db2.gz MJFVJSXDTYDIMB-STQMWFEESA-N 2 3 225.380 1.189 20 0 BDADHP [NH3+][C@H]1CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC001205093475 967339261 /nfs/dbraw/zinc/33/92/61/967339261.db2.gz AYJORKNJHDAPOC-OLZOCXBDSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@]1([NH3+])CCCN(CC2(F)CC[NH2+]CC2)CC1 ZINC001205256091 967447478 /nfs/dbraw/zinc/44/74/78/967447478.db2.gz MWLCSUJGBAYYFB-GFCCVEGCSA-N 2 3 243.370 1.281 20 0 BDADHP C[C@H]1C[C@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246636040 973050211 /nfs/dbraw/zinc/05/02/11/973050211.db2.gz BPTRJDPOXZJPNK-QWHCGFSZSA-N 2 3 237.391 1.202 20 0 BDADHP C[C@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246636040 973050220 /nfs/dbraw/zinc/05/02/20/973050220.db2.gz BPTRJDPOXZJPNK-QWHCGFSZSA-N 2 3 237.391 1.202 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246930182 973578312 /nfs/dbraw/zinc/57/83/12/973578312.db2.gz IHYAETYTUINMQG-YIYPIFLZSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246930182 973578324 /nfs/dbraw/zinc/57/83/24/973578324.db2.gz IHYAETYTUINMQG-YIYPIFLZSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246930180 973581104 /nfs/dbraw/zinc/58/11/04/973581104.db2.gz IHYAETYTUINMQG-MQYQWHSLSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246930180 973581127 /nfs/dbraw/zinc/58/11/27/973581127.db2.gz IHYAETYTUINMQG-MQYQWHSLSA-N 2 3 237.391 1.058 20 0 BDADHP CC[C@@H](N)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234499 979002350 /nfs/dbraw/zinc/00/23/50/979002350.db2.gz YWTZWPAPNPPJLH-KGLIPLIRSA-N 2 3 239.407 1.578 20 0 BDADHP C[NH2+]CC1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001235679092 979117584 /nfs/dbraw/zinc/11/75/84/979117584.db2.gz OKPFCQRKVPHXBZ-CQSZACIVSA-N 2 3 239.407 1.450 20 0 BDADHP [NH3+]CCCC[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584512 979666645 /nfs/dbraw/zinc/66/66/45/979666645.db2.gz GCWMSLNJXKXQBB-GFCCVEGCSA-N 2 3 225.380 1.189 20 0 BDADHP [NH3+]CCCC[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584512 979666651 /nfs/dbraw/zinc/66/66/51/979666651.db2.gz GCWMSLNJXKXQBB-GFCCVEGCSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1ccc(C[NH3+])cc1 ZINC001205903640 983125738 /nfs/dbraw/zinc/12/57/38/983125738.db2.gz QMVFWKDEIPAITK-IUODEOHRSA-N 2 3 247.386 1.705 20 0 BDADHP C[C@@H]1[C@H](C[NH3+])CCCN1Cc1ccc(C[NH3+])cc1 ZINC001205903639 983126419 /nfs/dbraw/zinc/12/64/19/983126419.db2.gz QMVFWKDEIPAITK-DOMZBBRYSA-N 2 3 247.386 1.705 20 0 BDADHP C[NH2+]CCNC1CCC2(CCC[NH2+]C2)CC1 ZINC001246073212 987361361 /nfs/dbraw/zinc/36/13/61/987361361.db2.gz RCKJGWWQVQFLNK-UHFFFAOYSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@@H]1CC[C@@H](NCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105512 987432844 /nfs/dbraw/zinc/43/28/44/987432844.db2.gz MQKYXCOQVLZMBU-DGCLKSJQSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1CC[C@H](NCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105517 987433640 /nfs/dbraw/zinc/43/36/40/987433640.db2.gz MQKYXCOQVLZMBU-YPMHNXCESA-N 2 3 225.380 1.106 20 0 BDADHP C([NH2+]C1CCNCC1)C1CC2(C1)CC[NH2+]CC2 ZINC001246128629 987476489 /nfs/dbraw/zinc/47/64/89/987476489.db2.gz UVCYPLLDWAROBG-UHFFFAOYSA-N 2 3 237.391 1.108 20 0 BDADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CC[NH2+]CC3)CCN1 ZINC001246136937 987495201 /nfs/dbraw/zinc/49/52/01/987495201.db2.gz GVGALDKDXQXNCU-JHJVBQTASA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H]1CC[C@@H](NCCCCCC[NH3+])C[NH2+]1 ZINC001246165248 987522566 /nfs/dbraw/zinc/52/25/66/987522566.db2.gz QDHGUJCAMSOEOB-VXGBXAGGSA-N 2 3 213.369 1.236 20 0 BDADHP CC[NH+](CC)CCCC[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246163126 987525574 /nfs/dbraw/zinc/52/55/74/987525574.db2.gz VUWYXLUYXKXZEB-KGLIPLIRSA-N 2 3 241.423 1.839 20 0 BDADHP C(N[C@H]1CCCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC001246185674 987559536 /nfs/dbraw/zinc/55/95/36/987559536.db2.gz VHWWHQJLTNJYIE-STQMWFEESA-N 2 3 237.391 1.108 20 0 BDADHP C(N[C@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC001246225279 987622090 /nfs/dbraw/zinc/62/20/90/987622090.db2.gz OTWCAGVVBCLXMQ-OLZOCXBDSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@H](CN)C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246322341 987729410 /nfs/dbraw/zinc/72/94/10/987729410.db2.gz HDTQJIXSRGVANC-GFCCVEGCSA-N 2 3 239.407 1.483 20 0 BDADHP CCC1(C[NH2+]C2CCNCC2)CC[NH2+]CC1 ZINC001246424518 987793556 /nfs/dbraw/zinc/79/35/56/987793556.db2.gz UZTFFJGICJAXRP-UHFFFAOYSA-N 2 3 225.380 1.108 20 0 BDADHP CCC1(CN[C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246425825 987794771 /nfs/dbraw/zinc/79/47/71/987794771.db2.gz ZOWOIKVCADQGEP-QWHCGFSZSA-N 2 3 239.407 1.496 20 0 BDADHP CCC1(CN[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246425827 987795220 /nfs/dbraw/zinc/79/52/20/987795220.db2.gz ZOWOIKVCADQGEP-STQMWFEESA-N 2 3 239.407 1.496 20 0 BDADHP CN[C@H]1C[C@H]([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246460502 987818698 /nfs/dbraw/zinc/81/86/98/987818698.db2.gz JHFGTWPZAPNJEN-AVGNSLFASA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CCN1 ZINC001246461445 987820546 /nfs/dbraw/zinc/82/05/46/987820546.db2.gz IXQHHNKHHIOLSG-MQYQWHSLSA-N 2 3 239.407 1.589 20 0 BDADHP [NH3+]Cc1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC001246481854 987840863 /nfs/dbraw/zinc/84/08/63/987840863.db2.gz DGEJTBAHSRMGTM-UHFFFAOYSA-N 2 3 233.359 1.029 20 0 BDADHP C[C@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCN1 ZINC001246563951 988014290 /nfs/dbraw/zinc/01/42/90/988014290.db2.gz YHIVVAFXSXOVBQ-ZOBORPQBSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCN1 ZINC001246563951 988014301 /nfs/dbraw/zinc/01/43/01/988014301.db2.gz YHIVVAFXSXOVBQ-ZOBORPQBSA-N 2 3 239.407 1.434 20 0 BDADHP C1C[C@H]2CN([C@H]3CCC4(C3)CC[NH2+]CC4)C[C@H]2[NH2+]1 ZINC001246655300 988384056 /nfs/dbraw/zinc/38/40/56/988384056.db2.gz YWVZJXLOVQZMMP-MELADBBJSA-N 2 3 249.402 1.202 20 0 BDADHP C[C@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246677217 988422227 /nfs/dbraw/zinc/42/22/27/988422227.db2.gz HBDADJAJJBAHOK-AAEUAGOBSA-N 2 3 225.380 1.058 20 0 BDADHP C[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246677217 988422236 /nfs/dbraw/zinc/42/22/36/988422236.db2.gz HBDADJAJJBAHOK-AAEUAGOBSA-N 2 3 225.380 1.058 20 0 BDADHP C[C@H]1C[C@H](C[NH2+][C@]23CCC[C@@H]2CNC3)CC[NH2+]1 ZINC000634733431 344113241 /nfs/dbraw/zinc/11/32/41/344113241.db2.gz FRKNAIIMWKJQFY-DGAVXFQQSA-N 2 3 237.391 1.106 20 0 BDADHP C[NH+](C)CCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156074867 345123694 /nfs/dbraw/zinc/12/36/94/345123694.db2.gz DZQUXGUXGJWKFP-ZIAGYGMSSA-N 2 3 239.407 1.545 20 0 BDADHP C[NH+](C)CCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156074867 345123697 /nfs/dbraw/zinc/12/36/97/345123697.db2.gz DZQUXGUXGJWKFP-ZIAGYGMSSA-N 2 3 239.407 1.545 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000156074867 345123701 /nfs/dbraw/zinc/12/37/01/345123701.db2.gz DZQUXGUXGJWKFP-ZIAGYGMSSA-N 2 3 239.407 1.545 20 0 BDADHP CC(C)[C@@H](CN)C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000634996115 345186512 /nfs/dbraw/zinc/18/65/12/345186512.db2.gz ZQKAHKFXMJJMEV-IHRRRGAJSA-N 2 3 241.423 1.572 20 0 BDADHP C[C@H](C[C@H](C)[NH3+])NCc1cccc2c1CC[NH2+]C2 ZINC000635004846 345208295 /nfs/dbraw/zinc/20/82/95/345208295.db2.gz QKBAMRNUPUHFTL-NWDGAFQWSA-N 2 3 247.386 1.548 20 0 BDADHP C[C@@H]1C[C@@H]([NH3+])CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000577960581 366144730 /nfs/dbraw/zinc/14/47/30/366144730.db2.gz MHCVXRKLEAIUSW-AGIUHOORSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@@H](N)CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000577960581 366144736 /nfs/dbraw/zinc/14/47/36/366144736.db2.gz MHCVXRKLEAIUSW-AGIUHOORSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@@H](N)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000577960581 366144741 /nfs/dbraw/zinc/14/47/41/366144741.db2.gz MHCVXRKLEAIUSW-AGIUHOORSA-N 2 3 225.380 1.188 20 0 BDADHP CC(C)[C@H]([NH3+])CCN(C)CC[C@H]1CC[NH2+]C1 ZINC000420288581 192200679 /nfs/dbraw/zinc/20/06/79/192200679.db2.gz JIERRYFZIFDHPJ-CHWSQXEVSA-N 2 3 227.396 1.291 20 0 BDADHP NCC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420322234 192226990 /nfs/dbraw/zinc/22/69/90/192226990.db2.gz WJJRFSVVLZDJST-STQMWFEESA-N 2 3 225.380 1.189 20 0 BDADHP NCC[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420322234 192226992 /nfs/dbraw/zinc/22/69/92/192226992.db2.gz WJJRFSVVLZDJST-STQMWFEESA-N 2 3 225.380 1.189 20 0 BDADHP [NH3+]CC[C@@H]1CCCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420322234 192226994 /nfs/dbraw/zinc/22/69/94/192226994.db2.gz WJJRFSVVLZDJST-STQMWFEESA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@H]([NH2+][C@@H]1CCN[C@H]1C)C1CC[NH+](C)CC1 ZINC000629548543 361434392 /nfs/dbraw/zinc/43/43/92/361434392.db2.gz QAWHLGFDLDBIEW-NTZNESFSSA-N 2 3 225.380 1.057 20 0 BDADHP C[C@@H](NCCCC[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000386576023 367994935 /nfs/dbraw/zinc/99/49/35/367994935.db2.gz NFGZCINXFITQNT-CHWSQXEVSA-N 2 3 227.396 1.448 20 0 BDADHP CC(C)[NH2+]C1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178982656 134314322 /nfs/dbraw/zinc/31/43/22/134314322.db2.gz LHNOODZVFQQAQB-UHFFFAOYSA-N 2 3 239.407 1.448 20 0 BDADHP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000224130204 134342144 /nfs/dbraw/zinc/34/21/44/134342144.db2.gz ITWKJRLLQNGQDL-MELADBBJSA-N 2 3 239.407 1.626 20 0 BDADHP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC[C@H]1N ZINC000647497723 385407804 /nfs/dbraw/zinc/40/78/04/385407804.db2.gz SNSADKUQHBWWJJ-AAVRWANBSA-N 2 3 239.407 1.434 20 0 BDADHP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC[C@H]1N ZINC000647497723 385407808 /nfs/dbraw/zinc/40/78/08/385407808.db2.gz SNSADKUQHBWWJJ-AAVRWANBSA-N 2 3 239.407 1.434 20 0 BDADHP CC[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CC[C@H]1[NH3+] ZINC000647497723 385407810 /nfs/dbraw/zinc/40/78/10/385407810.db2.gz SNSADKUQHBWWJJ-AAVRWANBSA-N 2 3 239.407 1.434 20 0 BDADHP CC(C)C[C@H](N)C[NH+]1CCC(C[NH3+])CC1 ZINC000414651103 386070986 /nfs/dbraw/zinc/07/09/86/386070986.db2.gz DZTHQEMMLXQHET-LBPRGKRZSA-N 2 3 213.369 1.031 20 0 BDADHP CC(C)[C@H](N)CC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414662389 386099245 /nfs/dbraw/zinc/09/92/45/386099245.db2.gz QAZJXZJSRPKKFN-HZSPNIEDSA-N 2 3 241.423 1.680 20 0 BDADHP CC(C)[C@H](N)CC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414662389 386099247 /nfs/dbraw/zinc/09/92/47/386099247.db2.gz QAZJXZJSRPKKFN-HZSPNIEDSA-N 2 3 241.423 1.680 20 0 BDADHP CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414662389 386099249 /nfs/dbraw/zinc/09/92/49/386099249.db2.gz QAZJXZJSRPKKFN-HZSPNIEDSA-N 2 3 241.423 1.680 20 0 BDADHP CC[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647934664 386483325 /nfs/dbraw/zinc/48/33/25/386483325.db2.gz LZONIMLFNQQUPU-MJBXVCDLSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1N ZINC000647934664 386483329 /nfs/dbraw/zinc/48/33/29/386483329.db2.gz LZONIMLFNQQUPU-MJBXVCDLSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1N ZINC000647934664 386483336 /nfs/dbraw/zinc/48/33/36/386483336.db2.gz LZONIMLFNQQUPU-MJBXVCDLSA-N 2 3 239.407 1.435 20 0 BDADHP C[NH2+]C1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000335449157 386516976 /nfs/dbraw/zinc/51/69/76/386516976.db2.gz WGSGRRVMQVVJJB-NEPJUHHUSA-N 2 3 225.380 1.058 20 0 BDADHP CNC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000335449157 386516978 /nfs/dbraw/zinc/51/69/78/386516978.db2.gz WGSGRRVMQVVJJB-NEPJUHHUSA-N 2 3 225.380 1.058 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C)[C@@H](CN)C2)CC[NH2+]1 ZINC000415126027 386627704 /nfs/dbraw/zinc/62/77/04/386627704.db2.gz LWDNJXXLLUKTKI-DGAVXFQQSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)[C@@H](CN)C2)CC[NH2+]1 ZINC000415126027 386627711 /nfs/dbraw/zinc/62/77/11/386627711.db2.gz LWDNJXXLLUKTKI-DGAVXFQQSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@]1(C[NH2+]C2CCC([NH3+])CC2)CCCNC1 ZINC000334875845 386936656 /nfs/dbraw/zinc/93/66/56/386936656.db2.gz UXEBWDGZXZKNGD-WXRRBKDZSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000333883490 387068990 /nfs/dbraw/zinc/06/89/90/387068990.db2.gz WRMJQEVCFCZWLT-RVMXOQNASA-N 2 3 225.380 1.234 20 0 BDADHP C[C@H](CCC[NH3+])N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423461822 387311042 /nfs/dbraw/zinc/31/10/42/387311042.db2.gz TWTHMFNFURVEFS-DDTOSNHZSA-N 2 3 233.359 1.848 20 0 BDADHP C[C@@H](CCCC[NH3+])NC[C@H]1[NH2+]CCCC1(C)C ZINC000423391413 387276422 /nfs/dbraw/zinc/27/64/22/387276422.db2.gz PKAKSMGPHJUNMP-QWHCGFSZSA-N 2 3 241.423 1.872 20 0 BDADHP CC[C@@H](N[C@H](C)CCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423457738 387306371 /nfs/dbraw/zinc/30/63/71/387306371.db2.gz PKBBMXGPQYMJQW-UTUOFQBUSA-N 2 3 213.369 1.234 20 0 BDADHP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])[C@@H]1CCCN1 ZINC000423457738 387306372 /nfs/dbraw/zinc/30/63/72/387306372.db2.gz PKBBMXGPQYMJQW-UTUOFQBUSA-N 2 3 213.369 1.234 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423477147 387324247 /nfs/dbraw/zinc/32/42/47/387324247.db2.gz JODIZFSLRXAPGT-IHRRRGAJSA-N 2 3 239.407 1.626 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000422733654 387640289 /nfs/dbraw/zinc/64/02/89/387640289.db2.gz BQOPTWVTRPUSTL-VXGBXAGGSA-N 2 3 227.396 1.434 20 0 BDADHP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000423289482 388074424 /nfs/dbraw/zinc/07/44/24/388074424.db2.gz BBOTUQGKDZQYGI-ZLKJLUDKSA-N 2 3 233.359 1.676 20 0 BDADHP CCN(CC)CCC[NH2+]C1CCC([NH3+])CC1 ZINC000086724811 388108382 /nfs/dbraw/zinc/10/83/82/388108382.db2.gz BLLNQVPAHPJDKE-UHFFFAOYSA-N 2 3 227.396 1.578 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423268406 388047574 /nfs/dbraw/zinc/04/75/74/388047574.db2.gz DNXAQHXPHHGYIG-UPJWGTAASA-N 2 3 227.396 1.611 20 0 BDADHP NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000564827784 388891713 /nfs/dbraw/zinc/89/17/13/388891713.db2.gz FUWATPUAUYMOJJ-XDQVBPFNSA-N 2 3 237.391 1.092 20 0 BDADHP C([C@@H]1CCCNC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261949828 533374588 /nfs/dbraw/zinc/37/45/88/533374588.db2.gz FTPKLTYZUIRXFX-CYBMUJFWSA-N 2 3 237.391 1.062 20 0 BDADHP C([C@@H]1CCCNC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261949828 533374593 /nfs/dbraw/zinc/37/45/93/533374593.db2.gz FTPKLTYZUIRXFX-CYBMUJFWSA-N 2 3 237.391 1.062 20 0 BDADHP CC[C@H](NCCC1(C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000650747772 410387102 /nfs/dbraw/zinc/38/71/02/410387102.db2.gz HJKCDSVYAUFIJZ-RYUDHWBXSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747671 410387654 /nfs/dbraw/zinc/38/76/54/410387654.db2.gz FLSBUDQPJAJIHJ-VXGBXAGGSA-N 2 3 225.380 1.093 20 0 BDADHP NC[C@H]1CCCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747787 410387998 /nfs/dbraw/zinc/38/79/98/410387998.db2.gz HUZHWGKZUBMRQK-NEPJUHHUSA-N 2 3 225.380 1.223 20 0 BDADHP C[NH2+]Cc1ccccc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000650755558 410402524 /nfs/dbraw/zinc/40/25/24/410402524.db2.gz HPGFZMHESKPZSJ-NWDGAFQWSA-N 2 3 235.375 1.621 20 0 BDADHP C[NH2+]Cc1ccccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000656193697 411199721 /nfs/dbraw/zinc/19/97/21/411199721.db2.gz PPMFPGAFWHMNOQ-GJZGRUSLSA-N 2 3 247.386 1.766 20 0 BDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656786750 411366041 /nfs/dbraw/zinc/36/60/41/411366041.db2.gz QBIWGLHIKHRZSF-RYUDHWBXSA-N 2 3 247.386 1.548 20 0 BDADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656786751 411366553 /nfs/dbraw/zinc/36/65/53/411366553.db2.gz QBIWGLHIKHRZSF-VXGBXAGGSA-N 2 3 247.386 1.548 20 0 BDADHP [NH3+]C[C@@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000516651730 323081327 /nfs/dbraw/zinc/08/13/27/323081327.db2.gz KIEHOFRYIRPGNF-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP NC[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000516651730 323081328 /nfs/dbraw/zinc/08/13/28/323081328.db2.gz KIEHOFRYIRPGNF-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP NC[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000516651730 323081329 /nfs/dbraw/zinc/08/13/29/323081329.db2.gz KIEHOFRYIRPGNF-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP N[C@H]1CCC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000566483796 326051832 /nfs/dbraw/zinc/05/18/32/326051832.db2.gz WWGGBJBOPQGUOL-STQMWFEESA-N 2 3 223.364 1.156 20 0 BDADHP C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000568856593 326379507 /nfs/dbraw/zinc/37/95/07/326379507.db2.gz AHSYPFYPJULYFM-IGQOVBAYSA-N 2 3 239.407 1.624 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902328071 584561116 /nfs/dbraw/zinc/56/11/16/584561116.db2.gz IWXZVDSWLAHOCD-CYBMUJFWSA-N 2 3 241.423 1.696 20 0 BDADHP CC1(C)CNCC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000902406315 584573943 /nfs/dbraw/zinc/57/39/43/584573943.db2.gz RWGFOTGVCBEMLK-FRRDWIJNSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@H]1CNCC1(C)C ZINC000902447273 584604641 /nfs/dbraw/zinc/60/46/41/584604641.db2.gz XUOPLVYDYIWIKS-MNOVXSKESA-N 2 3 213.369 1.092 20 0 BDADHP C[C@@H]([NH3+])C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903716535 584791758 /nfs/dbraw/zinc/79/17/58/584791758.db2.gz OKWDHEQLSKXZFQ-OLZOCXBDSA-N 2 3 239.407 1.435 20 0 BDADHP [NH3+]CCC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903769051 584798169 /nfs/dbraw/zinc/79/81/69/584798169.db2.gz YMKATEIOMLVRFO-CQSZACIVSA-N 2 3 239.407 1.437 20 0 BDADHP N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000903843608 584807565 /nfs/dbraw/zinc/80/75/65/584807565.db2.gz OKMPBCPDQWNQJT-IHRRRGAJSA-N 2 3 237.391 1.188 20 0 BDADHP N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000903843608 584807566 /nfs/dbraw/zinc/80/75/66/584807566.db2.gz OKMPBCPDQWNQJT-IHRRRGAJSA-N 2 3 237.391 1.188 20 0 BDADHP [NH3+]CCCCCCCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856642 584809215 /nfs/dbraw/zinc/80/92/15/584809215.db2.gz AWRVPLXTJXSQGR-ZIAGYGMSSA-N 2 3 239.407 1.709 20 0 BDADHP N[C@H]1CCC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918761 584823164 /nfs/dbraw/zinc/82/31/64/584823164.db2.gz HEUSOYQSSNRJDB-NNIHONCDSA-N 2 3 237.391 1.377 20 0 BDADHP C(N[C@@H]1CCCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918866 584823371 /nfs/dbraw/zinc/82/33/71/584823371.db2.gz JMKTYPBNBRDZHX-WTUNAVPPSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930075 584824231 /nfs/dbraw/zinc/82/42/31/584824231.db2.gz RJCRKKULBYXHBC-KTCIRNNBSA-N 2 3 225.380 1.232 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930077 584824562 /nfs/dbraw/zinc/82/45/62/584824562.db2.gz RJCRKKULBYXHBC-XQHREUISSA-N 2 3 225.380 1.232 20 0 BDADHP C([NH2+][C@@]12CCC[C@H]1NCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937133 584826314 /nfs/dbraw/zinc/82/63/14/584826314.db2.gz BYAHIAWSJNVMRW-ARQSVGKCSA-N 2 3 249.402 1.391 20 0 BDADHP C[C@]1(C[NH+]2CCC(C[NH3+])CC2)CCCNC1 ZINC000904299826 584860749 /nfs/dbraw/zinc/86/07/49/584860749.db2.gz PGTQGYCHEKERBL-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904302067 584862266 /nfs/dbraw/zinc/86/22/66/584862266.db2.gz UTIWNODWIWFPLO-BXUZGUMPSA-N 2 3 233.359 1.314 20 0 BDADHP CC[NH+](CC)C[C@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325190 584865378 /nfs/dbraw/zinc/86/53/78/584865378.db2.gz SECSCLOUIZQHSB-MCIONIFRSA-N 2 3 239.407 1.387 20 0 BDADHP CCN(CC)C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325190 584865379 /nfs/dbraw/zinc/86/53/79/584865379.db2.gz SECSCLOUIZQHSB-MCIONIFRSA-N 2 3 239.407 1.387 20 0 BDADHP CCN(CC)C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325190 584865381 /nfs/dbraw/zinc/86/53/81/584865381.db2.gz SECSCLOUIZQHSB-MCIONIFRSA-N 2 3 239.407 1.387 20 0 BDADHP C[C@@]1(C[NH2+][C@@H]2CC23CC[NH2+]CC3)CCCNC1 ZINC000904355410 584870910 /nfs/dbraw/zinc/87/09/10/584870910.db2.gz RGUDYMUMFXCAMB-CHWSQXEVSA-N 2 3 237.391 1.108 20 0 BDADHP C[C@@]1(CN[C@@H]2CC23CC[NH2+]CC3)CCC[NH2+]C1 ZINC000904355410 584870911 /nfs/dbraw/zinc/87/09/11/584870911.db2.gz RGUDYMUMFXCAMB-CHWSQXEVSA-N 2 3 237.391 1.108 20 0 BDADHP [NH3+]CCCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000843340774 588101149 /nfs/dbraw/zinc/10/11/49/588101149.db2.gz DZZXIYXCGGLFDV-KGLIPLIRSA-N 2 3 239.407 1.722 20 0 BDADHP [NH3+]CCCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000843340774 588101151 /nfs/dbraw/zinc/10/11/51/588101151.db2.gz DZZXIYXCGGLFDV-KGLIPLIRSA-N 2 3 239.407 1.722 20 0 BDADHP [NH3+]CCCCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000843340774 588101152 /nfs/dbraw/zinc/10/11/52/588101152.db2.gz DZZXIYXCGGLFDV-KGLIPLIRSA-N 2 3 239.407 1.722 20 0 BDADHP [NH3+]CCCCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843343897 588101576 /nfs/dbraw/zinc/10/15/76/588101576.db2.gz KJPJFBUTLMLCDC-FUNVUKJBSA-N 2 3 225.380 1.378 20 0 BDADHP CN(CCCCCCC[NH3+])C1CC[NH2+]CC1 ZINC000843345663 588101882 /nfs/dbraw/zinc/10/18/82/588101882.db2.gz CNWUDORXESMANM-UHFFFAOYSA-N 2 3 227.396 1.579 20 0 BDADHP C[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@H]1CN ZINC000866671942 589511042 /nfs/dbraw/zinc/51/10/42/589511042.db2.gz DDHBRFPIGHWRQX-NWDGAFQWSA-N 2 3 213.369 1.032 20 0 BDADHP C[C@H]1C[N@H+](CCCCCC[NH3+])C[C@H]1CN ZINC000866671942 589511041 /nfs/dbraw/zinc/51/10/41/589511041.db2.gz DDHBRFPIGHWRQX-NWDGAFQWSA-N 2 3 213.369 1.032 20 0 BDADHP CC(C)[C@H](CN)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000873210402 589995409 /nfs/dbraw/zinc/99/54/09/589995409.db2.gz FDZCYRNWVCAMER-CYBMUJFWSA-N 2 3 239.407 1.293 20 0 BDADHP CC(C)[C@H](CN)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000873210402 589995414 /nfs/dbraw/zinc/99/54/14/589995414.db2.gz FDZCYRNWVCAMER-CYBMUJFWSA-N 2 3 239.407 1.293 20 0 BDADHP CC(C)[C@H](C[NH3+])CNCc1ccc(CC[NH3+])cc1 ZINC000873210492 589995574 /nfs/dbraw/zinc/99/55/74/589995574.db2.gz HWRMLPQSROGTDE-OAHLLOKOSA-N 2 3 249.402 1.508 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000873249810 590007654 /nfs/dbraw/zinc/00/76/54/590007654.db2.gz OWSPHXSHKKYWSO-FEPKRQSRSA-N 2 3 241.423 1.965 20 0 BDADHP [NH3+][C@H]1C[C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000873256255 590010789 /nfs/dbraw/zinc/01/07/89/590010789.db2.gz NEVDETIFTZAXLQ-MHWZDGSBSA-N 2 3 231.343 1.458 20 0 BDADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256532 590011529 /nfs/dbraw/zinc/01/15/29/590011529.db2.gz OWJYJVBLFQCJDR-YUSALJHKSA-N 2 3 248.374 1.237 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261764 590014419 /nfs/dbraw/zinc/01/44/19/590014419.db2.gz RJCRKKULBYXHBC-RXGFPQBGSA-N 2 3 225.380 1.232 20 0 BDADHP C[C@@H](N[C@H](C)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000873269591 590015700 /nfs/dbraw/zinc/01/57/00/590015700.db2.gz IFYDKCZDRMXBAK-WZRBSPASSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)[C@@H]1CCCN1 ZINC000873269591 590015703 /nfs/dbraw/zinc/01/57/03/590015703.db2.gz IFYDKCZDRMXBAK-WZRBSPASSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@H](N[C@@H](C)C1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000873271454 590016296 /nfs/dbraw/zinc/01/62/96/590016296.db2.gz IFYDKCZDRMXBAK-GMXVVIOVSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H]1CCCN1 ZINC000873271454 590016297 /nfs/dbraw/zinc/01/62/97/590016297.db2.gz IFYDKCZDRMXBAK-GMXVVIOVSA-N 2 3 225.380 1.105 20 0 BDADHP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000925862212 635559536 /nfs/dbraw/zinc/55/95/36/635559536.db2.gz YIACRBVWHCNSGF-ROKHWSDSSA-N 2 3 237.391 1.345 20 0 BDADHP C[C@@H](N)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925698122 634361778 /nfs/dbraw/zinc/36/17/78/634361778.db2.gz BZEJCTSTDSBZBZ-YPMHNXCESA-N 2 3 221.348 1.403 20 0 BDADHP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000226345733 640750704 /nfs/dbraw/zinc/75/07/04/640750704.db2.gz IIQOERZJFYBNLD-QWHCGFSZSA-N 2 3 239.407 1.435 20 0 BDADHP N[C@@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923279687 644312643 /nfs/dbraw/zinc/31/26/43/644312643.db2.gz BGBOFHCFNYIION-CPIKKWJDSA-N 2 3 237.391 1.330 20 0 BDADHP N[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923279687 644312648 /nfs/dbraw/zinc/31/26/48/644312648.db2.gz BGBOFHCFNYIION-CPIKKWJDSA-N 2 3 237.391 1.330 20 0 BDADHP CC[C@H](N)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925711834 646435909 /nfs/dbraw/zinc/43/59/09/646435909.db2.gz SMQZYEGBYLUSAO-UONOGXRCSA-N 2 3 235.375 1.794 20 0 BDADHP C[C@H](NCC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000925798366 646487540 /nfs/dbraw/zinc/48/75/40/646487540.db2.gz WHQUBJLHBFAPHB-RQJABVFESA-N 2 3 239.407 1.352 20 0 BDADHP N[C@H](CCC[NH3+])Nc1cccc2c1CC[C@H]2[NH3+] ZINC001170904326 972078284 /nfs/dbraw/zinc/07/82/84/972078284.db2.gz OCDFZKKZCQDHAG-YPMHNXCESA-N 2 3 234.347 1.068 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C[C@@H]2C)CCN1 ZINC001246100402 972154151 /nfs/dbraw/zinc/15/41/51/972154151.db2.gz XIRUNHLXYPCARY-RFQIPJPRSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001246231564 972237422 /nfs/dbraw/zinc/23/74/22/972237422.db2.gz NKYMGQZAHXTXQH-FRRDWIJNSA-N 2 3 225.380 1.106 20 0 BDADHP [NH3+]CCCCCCC[NH2+]C1CCNCC1 ZINC001246305635 972268311 /nfs/dbraw/zinc/26/83/11/972268311.db2.gz IMRDNPKXHFGGMR-UHFFFAOYSA-N 2 3 213.369 1.237 20 0 BDADHP C[C@]1(N)CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001204938498 967245740 /nfs/dbraw/zinc/24/57/40/967245740.db2.gz MJFVJSXDTYDIMB-OLZOCXBDSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@]1(N)CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001204938498 967245754 /nfs/dbraw/zinc/24/57/54/967245754.db2.gz MJFVJSXDTYDIMB-OLZOCXBDSA-N 2 3 225.380 1.189 20 0 BDADHP CC[NH+]1CCC(C[N@@H+]2C[C@H](C)[C@H](CN)C2)CC1 ZINC001205131400 967374666 /nfs/dbraw/zinc/37/46/66/967374666.db2.gz XTXXSXMQJHKCAN-GXTWGEPZSA-N 2 3 239.407 1.245 20 0 BDADHP CC[NH+]1CCC(C[N@H+]2C[C@H](C)[C@H](CN)C2)CC1 ZINC001205131400 967374670 /nfs/dbraw/zinc/37/46/70/967374670.db2.gz XTXXSXMQJHKCAN-GXTWGEPZSA-N 2 3 239.407 1.245 20 0 BDADHP C[C@@H]1[C@@H](CN)CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205903496 967879655 /nfs/dbraw/zinc/87/96/55/967879655.db2.gz PRTJJPDRACVHGJ-HZSPNIEDSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1[C@@H](CN)CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205903496 967879660 /nfs/dbraw/zinc/87/96/60/967879660.db2.gz PRTJJPDRACVHGJ-HZSPNIEDSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1[C@@H](C[NH3+])CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC001205903496 967879662 /nfs/dbraw/zinc/87/96/62/967879662.db2.gz PRTJJPDRACVHGJ-HZSPNIEDSA-N 2 3 239.407 1.435 20 0 BDADHP NC[C@@H]1CCCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001206606565 968413195 /nfs/dbraw/zinc/41/31/95/968413195.db2.gz PKZQKCJUICJTHR-AWEZNQCLSA-N 2 3 239.407 1.437 20 0 BDADHP NC[C@@H]1CCCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001206606565 968413199 /nfs/dbraw/zinc/41/31/99/968413199.db2.gz PKZQKCJUICJTHR-AWEZNQCLSA-N 2 3 239.407 1.437 20 0 BDADHP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3CC[C@@]3(N)C2)CC1 ZINC001235980960 979263811 /nfs/dbraw/zinc/26/38/11/979263811.db2.gz SQOCATRWCNZMMI-GXTWGEPZSA-N 2 3 237.391 1.141 20 0 BDADHP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3CC[C@@]3(N)C2)CC1 ZINC001235980960 979263817 /nfs/dbraw/zinc/26/38/17/979263817.db2.gz SQOCATRWCNZMMI-GXTWGEPZSA-N 2 3 237.391 1.141 20 0 BDADHP C1CC2(C[NH2+]1)CCC([NH2+]C1CCNCC1)CC2 ZINC001246082517 987375603 /nfs/dbraw/zinc/37/56/03/987375603.db2.gz XATSBOSAHSJHJW-UHFFFAOYSA-N 2 3 237.391 1.250 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246093858 987400953 /nfs/dbraw/zinc/40/09/53/987400953.db2.gz LFZPYVVNLOGEGO-MGPQQGTHSA-N 2 3 239.407 1.496 20 0 BDADHP C(CN[C@@H]1CCCC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001246103190 987427013 /nfs/dbraw/zinc/42/70/13/987427013.db2.gz GHZRVZDLHBAWNP-CQSZACIVSA-N 2 3 239.407 1.498 20 0 BDADHP C[C@@H]1CC[C@H](CN[C@@H]2CCC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246107331 987438413 /nfs/dbraw/zinc/43/84/13/987438413.db2.gz FWLDQVQUIJPMEV-JHJVBQTASA-N 2 3 237.391 1.106 20 0 BDADHP C[C@@H]1CC[C@@H](NCC[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC001246177206 987548822 /nfs/dbraw/zinc/54/88/22/987548822.db2.gz RTKCWCWDZAKHLI-MGPQQGTHSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1CC[C@@H](NCC[C@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246177206 987548832 /nfs/dbraw/zinc/54/88/32/987548832.db2.gz RTKCWCWDZAKHLI-MGPQQGTHSA-N 2 3 239.407 1.448 20 0 BDADHP CN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001246204690 987600284 /nfs/dbraw/zinc/60/02/84/987600284.db2.gz KPLYMHLQZRLPHN-FRRDWIJNSA-N 2 3 225.380 1.330 20 0 BDADHP C[C@H]1C[C@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CCN1 ZINC001246202085 987600858 /nfs/dbraw/zinc/60/08/58/987600858.db2.gz MNPKQCOQGUBJDS-IGQOVBAYSA-N 2 3 239.407 1.624 20 0 BDADHP C(CCN[C@@H]1CCC[NH2+]C1)CC[NH+]1CCCC1 ZINC001246273792 987670467 /nfs/dbraw/zinc/67/04/67/987670467.db2.gz VZIBKNJTVKNZCE-CQSZACIVSA-N 2 3 239.407 1.594 20 0 BDADHP CCSC[C@@H](C)NCCC[NH2+]CCCC[NH3+] ZINC001246454950 987809725 /nfs/dbraw/zinc/80/97/25/987809725.db2.gz BOCGQJNQEPOUAX-GFCCVEGCSA-N 2 3 247.452 1.436 20 0 BDADHP CC(C)[NH2+]CCN[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246453349 987810650 /nfs/dbraw/zinc/81/06/50/987810650.db2.gz NMMRDHXTYNRYDN-ZDUSSCGKSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]CCc2ccc(C[NH3+])cc2)CCN1 ZINC001246482716 987841412 /nfs/dbraw/zinc/84/14/12/987841412.db2.gz IHSPDFSRKVRREO-WFASDCNBSA-N 2 3 247.386 1.418 20 0 BDADHP C[C@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3)CC[C@H]1C[NH3+] ZINC001246557398 987976822 /nfs/dbraw/zinc/97/68/22/987976822.db2.gz LMCASZDJVSFKQE-JZAZDWQXSA-N 2 3 249.402 1.352 20 0 BDADHP C[C@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)N3)CC[C@H]1C[NH3+] ZINC001246557398 987976830 /nfs/dbraw/zinc/97/68/30/987976830.db2.gz LMCASZDJVSFKQE-JZAZDWQXSA-N 2 3 249.402 1.352 20 0 BDADHP C1[NH2+]CC12CC[C@@H]([N@@H+]1CCC[C@]13CCCNC3)C2 ZINC001246611066 988239162 /nfs/dbraw/zinc/23/91/62/988239162.db2.gz RHYBSJZVHBQDNX-HIFRSBDPSA-N 2 3 249.402 1.347 20 0 BDADHP C1[NH2+]CC12CC[C@@H]([N@H+]1CCC[C@]13CCCNC3)C2 ZINC001246611066 988239182 /nfs/dbraw/zinc/23/91/82/988239182.db2.gz RHYBSJZVHBQDNX-HIFRSBDPSA-N 2 3 249.402 1.347 20 0 BDADHP CNCC[C@@H](C)[N@H+](C)C1CCC([NH2+]C)CC1 ZINC001246914507 988708839 /nfs/dbraw/zinc/70/88/39/988708839.db2.gz CQRCCLGPWVZOKZ-PNESKVBLSA-N 2 3 227.396 1.447 20 0 BDADHP CNCC[C@@H](C)[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001246914507 988708847 /nfs/dbraw/zinc/70/88/47/988708847.db2.gz CQRCCLGPWVZOKZ-PNESKVBLSA-N 2 3 227.396 1.447 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]C1CCC(C[NH3+])CC1 ZINC000580646088 365841211 /nfs/dbraw/zinc/84/12/11/365841211.db2.gz DBBNJHJGGJACNY-DMOGRIERSA-N 2 3 213.369 1.219 20 0 BDADHP CN1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250559950 349175303 /nfs/dbraw/zinc/17/53/03/349175303.db2.gz CESWUKKBVMLPFO-UPJWGTAASA-N 2 3 225.380 1.188 20 0 BDADHP CC(C)N(C)CCC[NH2+][C@@H](C)CCC[NH3+] ZINC000336715437 188255897 /nfs/dbraw/zinc/25/58/97/188255897.db2.gz WPDHCBOQUAIVHU-LBPRGKRZSA-N 2 3 215.385 1.434 20 0 BDADHP C[C@]1(CN2CCC3(CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000334590984 354222064 /nfs/dbraw/zinc/22/20/64/354222064.db2.gz GTEPBHUUWFVPIF-ZDUSSCGKSA-N 2 3 237.391 1.062 20 0 BDADHP C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000420296933 192204788 /nfs/dbraw/zinc/20/47/88/192204788.db2.gz XQWYQOWIZPLGQT-UPJWGTAASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1N ZINC000420296933 192204790 /nfs/dbraw/zinc/20/47/90/192204790.db2.gz XQWYQOWIZPLGQT-UPJWGTAASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1N ZINC000420296933 192204791 /nfs/dbraw/zinc/20/47/91/192204791.db2.gz XQWYQOWIZPLGQT-UPJWGTAASA-N 2 3 225.380 1.045 20 0 BDADHP CC[NH+](CC)CCCN1CCC[C@H](CC[NH3+])C1 ZINC000420319555 192195823 /nfs/dbraw/zinc/19/58/23/192195823.db2.gz XSBBALNHAVTFQR-CQSZACIVSA-N 2 3 241.423 1.779 20 0 BDADHP CCN(CC)CCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420319555 192195825 /nfs/dbraw/zinc/19/58/25/192195825.db2.gz XSBBALNHAVTFQR-CQSZACIVSA-N 2 3 241.423 1.779 20 0 BDADHP CCN(CC)CCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420319555 192195828 /nfs/dbraw/zinc/19/58/28/192195828.db2.gz XSBBALNHAVTFQR-CQSZACIVSA-N 2 3 241.423 1.779 20 0 BDADHP CC1(C)CNCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420373387 192231066 /nfs/dbraw/zinc/23/10/66/192231066.db2.gz YYKXLJNJZFUOGJ-CYBMUJFWSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000629542039 361417629 /nfs/dbraw/zinc/41/76/29/361417629.db2.gz XFYZCQURTVDSNK-KSTCHIGDSA-N 2 3 237.391 1.105 20 0 BDADHP CC[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000629655565 361560735 /nfs/dbraw/zinc/56/07/35/361560735.db2.gz ZTMOBAVEBBUPDG-FVCCEPFGSA-N 2 3 225.380 1.105 20 0 BDADHP [NH3+]Cc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000575935449 365422066 /nfs/dbraw/zinc/42/20/66/365422066.db2.gz UBRZNAFSSVLFIU-KBPBESRZSA-N 2 3 233.359 1.505 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000089150430 368936881 /nfs/dbraw/zinc/93/68/81/368936881.db2.gz XVXLBZXTWOOEHD-KBPBESRZSA-N 2 3 239.407 1.435 20 0 BDADHP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000229935964 259644447 /nfs/dbraw/zinc/64/44/47/259644447.db2.gz RRGDXJZHSPBHLQ-ZIAGYGMSSA-N 2 3 239.407 1.578 20 0 BDADHP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC[C@@H]1N ZINC000647497724 385408262 /nfs/dbraw/zinc/40/82/62/385408262.db2.gz SNSADKUQHBWWJJ-DGAVXFQQSA-N 2 3 239.407 1.434 20 0 BDADHP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC[C@@H]1N ZINC000647497724 385408266 /nfs/dbraw/zinc/40/82/66/385408266.db2.gz SNSADKUQHBWWJJ-DGAVXFQQSA-N 2 3 239.407 1.434 20 0 BDADHP CC[C@@H]1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000647497724 385408268 /nfs/dbraw/zinc/40/82/68/385408268.db2.gz SNSADKUQHBWWJJ-DGAVXFQQSA-N 2 3 239.407 1.434 20 0 BDADHP CC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCCNCC1 ZINC000345188405 386055374 /nfs/dbraw/zinc/05/53/74/386055374.db2.gz KMNRBZUBHITANS-AWEZNQCLSA-N 2 3 239.407 1.450 20 0 BDADHP CC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCNCC1 ZINC000345188405 386055378 /nfs/dbraw/zinc/05/53/78/386055378.db2.gz KMNRBZUBHITANS-AWEZNQCLSA-N 2 3 239.407 1.450 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@H]2CCNCC2(C)C)CC[NH2+]1 ZINC000414983453 386084576 /nfs/dbraw/zinc/08/45/76/386084576.db2.gz ZQVHSSDJXAKEJU-UPJWGTAASA-N 2 3 239.407 1.352 20 0 BDADHP C[NH2+]CCCN(C)CCCC1CC[NH2+]CC1 ZINC000647992457 386448179 /nfs/dbraw/zinc/44/81/79/386448179.db2.gz BCWSBJIILFVCGY-UHFFFAOYSA-N 2 3 227.396 1.308 20 0 BDADHP CNCCC[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647992457 386448182 /nfs/dbraw/zinc/44/81/82/386448182.db2.gz BCWSBJIILFVCGY-UHFFFAOYSA-N 2 3 227.396 1.308 20 0 BDADHP CNCCC[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647992457 386448184 /nfs/dbraw/zinc/44/81/84/386448184.db2.gz BCWSBJIILFVCGY-UHFFFAOYSA-N 2 3 227.396 1.308 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000415020312 386509128 /nfs/dbraw/zinc/50/91/28/386509128.db2.gz XAAMCLZFXWVOAU-FRRDWIJNSA-N 2 3 227.396 1.482 20 0 BDADHP NC[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000519711325 386542296 /nfs/dbraw/zinc/54/22/96/386542296.db2.gz OJTFAOGBIZWHSX-STQMWFEESA-N 2 3 225.380 1.047 20 0 BDADHP NC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000519711325 386542300 /nfs/dbraw/zinc/54/23/00/386542300.db2.gz OJTFAOGBIZWHSX-STQMWFEESA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]C[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000519711325 386542305 /nfs/dbraw/zinc/54/23/05/386542305.db2.gz OJTFAOGBIZWHSX-STQMWFEESA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCCNC1 ZINC000414825349 386690303 /nfs/dbraw/zinc/69/03/03/386690303.db2.gz SHIVCJFWSCPXNM-NELGMTEASA-N 2 3 239.407 1.482 20 0 BDADHP C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000333883489 387071231 /nfs/dbraw/zinc/07/12/31/387071231.db2.gz WRMJQEVCFCZWLT-RNJOBUHISA-N 2 3 225.380 1.234 20 0 BDADHP C[C@H](CCCC[NH3+])N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423427125 387251969 /nfs/dbraw/zinc/25/19/69/387251969.db2.gz IEIXUYWTQBLZTN-FRRDWIJNSA-N 2 3 227.396 1.624 20 0 BDADHP C[C@@H](NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423465978 387312694 /nfs/dbraw/zinc/31/26/94/387312694.db2.gz AGTITRPOTRULHB-MGPQQGTHSA-N 2 3 239.407 1.639 20 0 BDADHP C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000423459911 387308408 /nfs/dbraw/zinc/30/84/08/387308408.db2.gz AHSYPFYPJULYFM-CRWXNKLISA-N 2 3 239.407 1.624 20 0 BDADHP C[C@H]1CCNCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423539738 387365272 /nfs/dbraw/zinc/36/52/72/387365272.db2.gz PFGYDDUYAVCYFA-JSGCOSHPSA-N 2 3 237.391 1.274 20 0 BDADHP C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1CN ZINC000422637598 387611129 /nfs/dbraw/zinc/61/11/29/387611129.db2.gz OZXCOXLNWNRUJM-XJFOESAGSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1CN ZINC000422637598 387611134 /nfs/dbraw/zinc/61/11/34/387611134.db2.gz OZXCOXLNWNRUJM-XJFOESAGSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@H](C)N(CC[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000422637598 387611137 /nfs/dbraw/zinc/61/11/37/387611137.db2.gz OZXCOXLNWNRUJM-XJFOESAGSA-N 2 3 239.407 1.291 20 0 BDADHP CC[NH+]1CCC(CC[NH2+][C@@H](C)C2CNC2)CC1 ZINC000422776332 387673109 /nfs/dbraw/zinc/67/31/09/387673109.db2.gz ACTLHWCZUSMLGM-LBPRGKRZSA-N 2 3 239.407 1.306 20 0 BDADHP [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CC12CC[NH2+]CC2 ZINC000643536424 387867461 /nfs/dbraw/zinc/86/74/61/387867461.db2.gz QSBOSGMPWDYXEK-UPJWGTAASA-N 2 3 237.391 1.378 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423161763 387944511 /nfs/dbraw/zinc/94/45/11/387944511.db2.gz JNYMTTYZXZOIHJ-VXGBXAGGSA-N 2 3 227.396 1.576 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423161763 387944514 /nfs/dbraw/zinc/94/45/14/387944514.db2.gz JNYMTTYZXZOIHJ-VXGBXAGGSA-N 2 3 227.396 1.576 20 0 BDADHP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000420405394 387999162 /nfs/dbraw/zinc/99/91/62/387999162.db2.gz MTHYODRXRPYFTF-OCCSQVGLSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000420405394 387999165 /nfs/dbraw/zinc/99/91/65/387999165.db2.gz MTHYODRXRPYFTF-OCCSQVGLSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CCN(CCC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000420405394 387999169 /nfs/dbraw/zinc/99/91/69/387999169.db2.gz MTHYODRXRPYFTF-OCCSQVGLSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H](NCC[C@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423238449 388022191 /nfs/dbraw/zinc/02/21/91/388022191.db2.gz AKEWJBHMQKWAEU-UPJWGTAASA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H](NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423275220 388056968 /nfs/dbraw/zinc/05/69/68/388056968.db2.gz MXMAMTUOJHTFFA-RDBSUJKOSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423283587 388065010 /nfs/dbraw/zinc/06/50/10/388065010.db2.gz XLYHTBDGYYEJKO-MCIONIFRSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCNC23CCC3)CC[NH2+]1 ZINC000530245087 388639257 /nfs/dbraw/zinc/63/92/57/388639257.db2.gz SSRBUQXHDGVEHA-FRRDWIJNSA-N 2 3 237.391 1.249 20 0 BDADHP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000229935970 388805514 /nfs/dbraw/zinc/80/55/14/388805514.db2.gz RRGDXJZHSPBHLQ-KGLIPLIRSA-N 2 3 239.407 1.578 20 0 BDADHP C[NH2+]Cc1ccccc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000650755559 410401524 /nfs/dbraw/zinc/40/15/24/410401524.db2.gz HPGFZMHESKPZSJ-RYUDHWBXSA-N 2 3 235.375 1.621 20 0 BDADHP C[C@H]1C[C@@H]([NH3+])CCN1CCCC1CC[NH2+]CC1 ZINC000653299343 410816486 /nfs/dbraw/zinc/81/64/86/410816486.db2.gz PSAKQDUBHNWCGT-JSGCOSHPSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199706 411204601 /nfs/dbraw/zinc/20/46/01/411204601.db2.gz BFZHDRSRPXKUTP-FIQHERPVSA-N 2 3 213.369 1.042 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656201181 411206322 /nfs/dbraw/zinc/20/63/22/411206322.db2.gz ULMNJOLGQUHUPG-MQYQWHSLSA-N 2 3 239.407 1.304 20 0 BDADHP C[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1CCN ZINC000652355683 411215117 /nfs/dbraw/zinc/21/51/17/411215117.db2.gz DHYHTRZUMXGEFS-RDBSUJKOSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1CCN ZINC000652355683 411215119 /nfs/dbraw/zinc/21/51/19/411215119.db2.gz DHYHTRZUMXGEFS-RDBSUJKOSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](C[NH3+])CNCc1ccc2c(c1)C[NH2+]CC2 ZINC000656785446 411364456 /nfs/dbraw/zinc/36/44/56/411364456.db2.gz HMQZMUFGMXDFEA-LLVKDONJSA-N 2 3 233.359 1.017 20 0 BDADHP C[C@@H]([NH2+]CC12CC(C1)CN2)C1CC[NH+](C)CC1 ZINC000665277100 412221833 /nfs/dbraw/zinc/22/18/33/412221833.db2.gz TVBMWVCOKJYZAH-LKSINWNRSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@@H](NCC12CC(C1)C[NH2+]2)C1CC[NH+](C)CC1 ZINC000665277100 412221837 /nfs/dbraw/zinc/22/18/37/412221837.db2.gz TVBMWVCOKJYZAH-LKSINWNRSA-N 2 3 237.391 1.058 20 0 BDADHP CC(C)[C@H](N)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000665281757 412225987 /nfs/dbraw/zinc/22/59/87/412225987.db2.gz KHNFURGVXHBRDK-VXGBXAGGSA-N 2 3 215.385 1.467 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C[NH+](C)C)CC1 ZINC000104214959 176329957 /nfs/dbraw/zinc/32/99/57/176329957.db2.gz SYNADQUOVXWYMA-OCCSQVGLSA-N 2 3 239.407 1.116 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+]CCCN1CCCC[C@@H]1C ZINC000336714522 177075404 /nfs/dbraw/zinc/07/54/04/177075404.db2.gz PCJAMCARSXPKSC-KGLIPLIRSA-N 2 3 241.423 1.968 20 0 BDADHP C[NH2+]CCC1CC[NH+](C[C@H](N)CC(C)C)CC1 ZINC000414657887 487661416 /nfs/dbraw/zinc/66/14/16/487661416.db2.gz IGNGLBLLDBZDCO-CQSZACIVSA-N 2 3 241.423 1.681 20 0 BDADHP CCN1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000666857763 487892105 /nfs/dbraw/zinc/89/21/05/487892105.db2.gz IIJDIUJFZPQFGC-MCIONIFRSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCNC1 ZINC000572822559 326412864 /nfs/dbraw/zinc/41/28/64/326412864.db2.gz PNJDECXCJJYOHG-CRWXNKLISA-N 2 3 239.407 1.482 20 0 BDADHP N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000903843357 584807657 /nfs/dbraw/zinc/80/76/57/584807657.db2.gz JHKZCCAJYBOERI-XUXIUFHCSA-N 2 3 237.391 1.188 20 0 BDADHP N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000903843357 584807658 /nfs/dbraw/zinc/80/76/58/584807658.db2.gz JHKZCCAJYBOERI-XUXIUFHCSA-N 2 3 237.391 1.188 20 0 BDADHP [NH3+]CCCCCCCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856641 584809036 /nfs/dbraw/zinc/80/90/36/584809036.db2.gz AWRVPLXTJXSQGR-UONOGXRCSA-N 2 3 239.407 1.709 20 0 BDADHP C[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1[NH3+] ZINC000903873751 584815818 /nfs/dbraw/zinc/81/58/18/584815818.db2.gz MDMGLMMFRIVLEY-WYTNZGFTSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1N ZINC000903873751 584815820 /nfs/dbraw/zinc/81/58/20/584815820.db2.gz MDMGLMMFRIVLEY-WYTNZGFTSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1N ZINC000903873751 584815821 /nfs/dbraw/zinc/81/58/21/584815821.db2.gz MDMGLMMFRIVLEY-WYTNZGFTSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@H]1CNCC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921021 584823157 /nfs/dbraw/zinc/82/31/57/584823157.db2.gz ZWVQSWXURXXACD-WYTNZGFTSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930074 584824076 /nfs/dbraw/zinc/82/40/76/584824076.db2.gz RJCRKKULBYXHBC-GJHMDTBVSA-N 2 3 225.380 1.232 20 0 BDADHP C([NH2+]C[C@H]1CCCNC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917960 584827010 /nfs/dbraw/zinc/82/70/10/584827010.db2.gz PGSKKSVSMQCSQX-FUDCBSFHSA-N 2 3 237.391 1.106 20 0 BDADHP CC(C)[C@H](CN)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978401 584832858 /nfs/dbraw/zinc/83/28/58/584832858.db2.gz OGOBUOOIFPKTRP-JHJVBQTASA-N 2 3 227.396 1.134 20 0 BDADHP CC(C)[C@H](CN)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978401 584832859 /nfs/dbraw/zinc/83/28/59/584832859.db2.gz OGOBUOOIFPKTRP-JHJVBQTASA-N 2 3 227.396 1.134 20 0 BDADHP C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904302069 584861813 /nfs/dbraw/zinc/86/18/13/584861813.db2.gz UTIWNODWIWFPLO-RISCZKNCSA-N 2 3 233.359 1.314 20 0 BDADHP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000904323738 584864795 /nfs/dbraw/zinc/86/47/95/584864795.db2.gz RPJUPCMVFJHOTN-MELADBBJSA-N 2 3 237.391 1.141 20 0 BDADHP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000904323738 584864796 /nfs/dbraw/zinc/86/47/96/584864796.db2.gz RPJUPCMVFJHOTN-MELADBBJSA-N 2 3 237.391 1.141 20 0 BDADHP [NH3+][C@H]1C[C@@H](CN2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000904323738 584864797 /nfs/dbraw/zinc/86/47/97/584864797.db2.gz RPJUPCMVFJHOTN-MELADBBJSA-N 2 3 237.391 1.141 20 0 BDADHP [NH3+][C@H]1C[C@@H](CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000904358711 584872419 /nfs/dbraw/zinc/87/24/19/584872419.db2.gz ROBZAOMWFHWDME-FQUUOJAGSA-N 2 3 237.391 1.188 20 0 BDADHP CC1(C)CNCC[C@H]1[NH2+]CCCCCCC[NH3+] ZINC000842475938 588029946 /nfs/dbraw/zinc/02/99/46/588029946.db2.gz YFKFKKYXZVJOAL-CYBMUJFWSA-N 2 3 241.423 1.873 20 0 BDADHP NC[C@H]1CCCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843344111 588101401 /nfs/dbraw/zinc/10/14/01/588101401.db2.gz QWQXCOGEAMGTGG-OLZOCXBDSA-N 2 3 227.396 1.613 20 0 BDADHP C[C@H]1C[C@@H](CN)C[N@@H+]1CCCCCC[NH3+] ZINC000846220603 588261156 /nfs/dbraw/zinc/26/11/56/588261156.db2.gz RLARHIFASYOUIX-RYUDHWBXSA-N 2 3 213.369 1.175 20 0 BDADHP C[C@H]1C[C@@H](CN)C[N@H+]1CCCCCC[NH3+] ZINC000846220603 588261157 /nfs/dbraw/zinc/26/11/57/588261157.db2.gz RLARHIFASYOUIX-RYUDHWBXSA-N 2 3 213.369 1.175 20 0 BDADHP C[C@@H]1CC[N@H+](CCCCCC[NH3+])C[C@@H]1CN ZINC000846223056 588261769 /nfs/dbraw/zinc/26/17/69/588261769.db2.gz GMGQTPGXVTVPIE-OLZOCXBDSA-N 2 3 227.396 1.422 20 0 BDADHP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])C[C@@H]1CN ZINC000846223056 588261770 /nfs/dbraw/zinc/26/17/70/588261770.db2.gz GMGQTPGXVTVPIE-OLZOCXBDSA-N 2 3 227.396 1.422 20 0 BDADHP C[C@@H]1CCN(CCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000846223056 588261771 /nfs/dbraw/zinc/26/17/71/588261771.db2.gz GMGQTPGXVTVPIE-OLZOCXBDSA-N 2 3 227.396 1.422 20 0 BDADHP [NH3+]CCc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848714671 588407996 /nfs/dbraw/zinc/40/79/96/588407996.db2.gz GBLMFIXLKAYQEG-LSDHHAIUSA-N 2 3 247.386 1.547 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000873249812 590007181 /nfs/dbraw/zinc/00/71/81/590007181.db2.gz OWSPHXSHKKYWSO-KBHBFKLGSA-N 2 3 241.423 1.965 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000873249813 590007221 /nfs/dbraw/zinc/00/72/21/590007221.db2.gz OWSPHXSHKKYWSO-MRFVTOPCSA-N 2 3 241.423 1.965 20 0 BDADHP NC[C@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261352 590013452 /nfs/dbraw/zinc/01/34/52/590013452.db2.gz NMYGVNCFNNSBEG-RKQHYHRCSA-N 2 3 237.391 1.234 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261761 590014317 /nfs/dbraw/zinc/01/43/17/590014317.db2.gz RJCRKKULBYXHBC-NJMOYASZSA-N 2 3 225.380 1.232 20 0 BDADHP C[C@@H]([NH2+][C@H]1CCCC[C@H]1CN)C1CC[NH2+]CC1 ZINC000873269566 590015589 /nfs/dbraw/zinc/01/55/89/590015589.db2.gz IBKPKSOZOPUROZ-XBFCOCLRSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@@H](N[C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000873271457 590016189 /nfs/dbraw/zinc/01/61/89/590016189.db2.gz IFYDKCZDRMXBAK-LOWVWBTDSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCCN1 ZINC000873271457 590016192 /nfs/dbraw/zinc/01/61/92/590016192.db2.gz IFYDKCZDRMXBAK-LOWVWBTDSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H]([NH2+][C@H]1CCNCC[C@H]1C)C1CC[NH2+]CC1 ZINC000873270583 590016336 /nfs/dbraw/zinc/01/63/36/590016336.db2.gz XWPAWUDGTVLWQB-BZPMIXESSA-N 2 3 239.407 1.352 20 0 BDADHP [NH3+]CC[C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923350081 644361981 /nfs/dbraw/zinc/36/19/81/644361981.db2.gz ZQJQOPHFHHNUMD-LBPRGKRZSA-N 2 3 225.380 1.189 20 0 BDADHP [NH3+]CC[C@@H]1CCC[N@H+](CCCNC2CC2)C1 ZINC000923350081 644361988 /nfs/dbraw/zinc/36/19/88/644361988.db2.gz ZQJQOPHFHHNUMD-LBPRGKRZSA-N 2 3 225.380 1.189 20 0 BDADHP [NH3+]CC[C@@H]1CCC[N@@H+](CCCNC2CC2)C1 ZINC000923350081 644361993 /nfs/dbraw/zinc/36/19/93/644361993.db2.gz ZQJQOPHFHHNUMD-LBPRGKRZSA-N 2 3 225.380 1.189 20 0 BDADHP C[NH+](C)C1(C)CCC([NH2+]C2CCNCC2)CC1 ZINC000715514804 712524975 /nfs/dbraw/zinc/52/49/75/712524975.db2.gz XGHYXZYABMSSDC-UHFFFAOYSA-N 2 3 239.407 1.591 20 0 BDADHP CCN(CC)CC[C@H](C)[NH2+]CCCC[NH3+] ZINC001255946607 970583199 /nfs/dbraw/zinc/58/31/99/970583199.db2.gz WTIABXPMWLKJLR-LBPRGKRZSA-N 2 3 215.385 1.435 20 0 BDADHP N[C@@H](CCC[NH3+])Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001170901321 972058774 /nfs/dbraw/zinc/05/87/74/972058774.db2.gz ZGBYUPFNTYOBGY-CYBMUJFWSA-N 2 3 248.374 1.460 20 0 BDADHP N[C@H](CCC[NH3+])Nc1cccc2c1CC[C@@H]2[NH3+] ZINC001170904322 972078603 /nfs/dbraw/zinc/07/86/03/972078603.db2.gz OCDFZKKZCQDHAG-AAEUAGOBSA-N 2 3 234.347 1.068 20 0 BDADHP C[C@H](CN)C[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168303732 964397255 /nfs/dbraw/zinc/39/72/55/964397255.db2.gz AUGVROVTSDQYBA-PNESKVBLSA-N 2 3 227.396 1.386 20 0 BDADHP C[C@H](CN)C[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168303732 964397273 /nfs/dbraw/zinc/39/72/73/964397273.db2.gz AUGVROVTSDQYBA-PNESKVBLSA-N 2 3 227.396 1.386 20 0 BDADHP N[C@H]1CCC[N@H+](CCCCCC[NH3+])CC1 ZINC001205095030 965734631 /nfs/dbraw/zinc/73/46/31/965734631.db2.gz SXRVMYWSABDGPY-LBPRGKRZSA-N 2 3 213.369 1.319 20 0 BDADHP N[C@H]1CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC001205095030 965734639 /nfs/dbraw/zinc/73/46/39/965734639.db2.gz SXRVMYWSABDGPY-LBPRGKRZSA-N 2 3 213.369 1.319 20 0 BDADHP [NH3+]Cc1ccc(CN2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205109613 965831366 /nfs/dbraw/zinc/83/13/66/965831366.db2.gz ITHVDRXWSHEOJP-CQSZACIVSA-N 2 3 233.359 1.459 20 0 BDADHP [NH3+]CC1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001205026207 967141987 /nfs/dbraw/zinc/14/19/87/967141987.db2.gz OPUYSADJBVNFHS-ZDUSSCGKSA-N 2 3 225.380 1.189 20 0 BDADHP [NH3+][C@H]1CCCN(CCC23CC([NH3+])(C2)C3)CC1 ZINC001205088687 967337921 /nfs/dbraw/zinc/33/79/21/967337921.db2.gz RNOPPEOQFGILAK-HIFPTAJRSA-N 2 3 223.364 1.071 20 0 BDADHP [NH3+][C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC001205093474 967341164 /nfs/dbraw/zinc/34/11/64/967341164.db2.gz AYJORKNJHDAPOC-CHWSQXEVSA-N 2 3 225.380 1.189 20 0 BDADHP [NH3+]C[C@H]1CCCCN(CC2(F)CC[NH2+]CC2)C1 ZINC001206606840 968416499 /nfs/dbraw/zinc/41/64/99/968416499.db2.gz UUANOJRZPBFCFK-GFCCVEGCSA-N 2 3 243.370 1.139 20 0 BDADHP CCN(CC)CC[C@@H](C)[NH2+]CCCC[NH3+] ZINC001255946606 970580417 /nfs/dbraw/zinc/58/04/17/970580417.db2.gz WTIABXPMWLKJLR-GFCCVEGCSA-N 2 3 215.385 1.435 20 0 BDADHP C[C@@H](N)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC001334737920 976612004 /nfs/dbraw/zinc/61/20/04/976612004.db2.gz LUYIEIKAAUBWOI-SNVBAGLBSA-N 2 3 213.369 1.031 20 0 BDADHP C(C[N@@H+]1C[C@H]2CCCN[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001235209206 978995670 /nfs/dbraw/zinc/99/56/70/978995670.db2.gz JEMSROVXDSJPIQ-MJBXVCDLSA-N 2 3 237.391 1.060 20 0 BDADHP C(C[N@H+]1C[C@H]2CCCN[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001235209206 978995676 /nfs/dbraw/zinc/99/56/76/978995676.db2.gz JEMSROVXDSJPIQ-MJBXVCDLSA-N 2 3 237.391 1.060 20 0 BDADHP [NH3+]C[C@@H]1CCCN1CC1CC2(C1)CC[NH2+]CC2 ZINC001235726297 979136368 /nfs/dbraw/zinc/13/63/68/979136368.db2.gz WDBQVXOSZSHVIN-ZDUSSCGKSA-N 2 3 237.391 1.189 20 0 BDADHP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3CC[C@]3(N)C2)CC1 ZINC001235979947 979251663 /nfs/dbraw/zinc/25/16/63/979251663.db2.gz OTYZCYZXWTVJLR-KBPBESRZSA-N 2 3 237.391 1.141 20 0 BDADHP C[NH+]1CCC(CC[N@H+]2C[C@@H]3CC[C@]3(N)C2)CC1 ZINC001235979947 979251675 /nfs/dbraw/zinc/25/16/75/979251675.db2.gz OTYZCYZXWTVJLR-KBPBESRZSA-N 2 3 237.391 1.141 20 0 BDADHP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3CC[C@@]3(N)C2)CC1 ZINC001235980966 979259025 /nfs/dbraw/zinc/25/90/25/979259025.db2.gz SQOCATRWCNZMMI-TZMCWYRMSA-N 2 3 237.391 1.141 20 0 BDADHP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3CC[C@@]3(N)C2)CC1 ZINC001235980966 979259036 /nfs/dbraw/zinc/25/90/36/979259036.db2.gz SQOCATRWCNZMMI-TZMCWYRMSA-N 2 3 237.391 1.141 20 0 BDADHP C[C@]1([NH3+])CCCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC001205273194 979831202 /nfs/dbraw/zinc/83/12/02/979831202.db2.gz HJLPRFMZVCXABT-HNNXBMFYSA-N 2 3 247.386 1.849 20 0 BDADHP C[C@@H]1[C@H](C[NH3+])CCCN1CC1(F)CC[NH2+]CC1 ZINC001205902694 983117171 /nfs/dbraw/zinc/11/71/71/983117171.db2.gz KYFRXCCTCJIIJR-NEPJUHHUSA-N 2 3 243.370 1.137 20 0 BDADHP C[C@H](CC[NH2+]CC1CC[NH+](C)CC1)N(C)C ZINC000697908046 987369201 /nfs/dbraw/zinc/36/92/01/987369201.db2.gz GJORFCRRTKFNGI-GFCCVEGCSA-N 2 3 227.396 1.258 20 0 BDADHP CCN1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC001246096240 987409269 /nfs/dbraw/zinc/40/92/69/987409269.db2.gz DQRGUPDNTJZSMX-OLZOCXBDSA-N 2 3 239.407 1.306 20 0 BDADHP CCN1CCC([NH2+]C[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246098978 987415525 /nfs/dbraw/zinc/41/55/25/987415525.db2.gz QSHYTQBWPDFXLD-STQMWFEESA-N 2 3 239.407 1.448 20 0 BDADHP C[NH2+]C1CCC(NC[C@@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246107419 987437078 /nfs/dbraw/zinc/43/70/78/987437078.db2.gz GTJZIVFDLIOTOP-ABXWRUBCSA-N 2 3 239.407 1.495 20 0 BDADHP C[C@@H]1CC[C@@H](CN[C@@H]2CCC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246107334 987437364 /nfs/dbraw/zinc/43/73/64/987437364.db2.gz FWLDQVQUIJPMEV-UPJWGTAASA-N 2 3 237.391 1.106 20 0 BDADHP C[C@H]1CC[C@@H](NCC[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC001246201436 987599872 /nfs/dbraw/zinc/59/98/72/987599872.db2.gz HDLNXFHUPQUUAD-IGQOVBAYSA-N 2 3 239.407 1.624 20 0 BDADHP [NH3+]C[C@H]1CC[C@H](CN[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246206439 987604318 /nfs/dbraw/zinc/60/43/18/987604318.db2.gz OZVKVFZPTMEXSV-MGPQQGTHSA-N 2 3 239.407 1.483 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]CC2)CCN1 ZINC001246223262 987619355 /nfs/dbraw/zinc/61/93/55/987619355.db2.gz JPBPCFJCFKSELH-FRRDWIJNSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1CC[C@@H](NCC23CC[NH+](CC2)CC3)C[NH2+]1 ZINC001246266841 987663428 /nfs/dbraw/zinc/66/34/28/987663428.db2.gz SGDTXLUBSPGNGT-CHWSQXEVSA-N 2 3 237.391 1.202 20 0 BDADHP CCC1(C[NH2+][C@@H]2CCN[C@H](C)C2)CC[NH2+]CC1 ZINC001246420158 987794601 /nfs/dbraw/zinc/79/46/01/987794601.db2.gz FQMRAZIGXGRGEM-CHWSQXEVSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CCN1 ZINC001246461446 987820101 /nfs/dbraw/zinc/82/01/01/987820101.db2.gz IXQHHNKHHIOLSG-SYQHCUMBSA-N 2 3 239.407 1.589 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCN1 ZINC001246563917 988010959 /nfs/dbraw/zinc/01/09/59/988010959.db2.gz YHIVVAFXSXOVBQ-AAVRWANBSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCN1 ZINC001246563917 988010976 /nfs/dbraw/zinc/01/09/76/988010976.db2.gz YHIVVAFXSXOVBQ-AAVRWANBSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246573784 988073546 /nfs/dbraw/zinc/07/35/46/988073546.db2.gz ZDMFORNRHUWJSW-RFGFWPKPSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246573784 988073561 /nfs/dbraw/zinc/07/35/61/988073561.db2.gz ZDMFORNRHUWJSW-RFGFWPKPSA-N 2 3 239.407 1.434 20 0 BDADHP C[NH2+]C1CCC([N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC001246595251 988190750 /nfs/dbraw/zinc/19/07/50/988190750.db2.gz SJROPDBXVPVFRE-IYXRBSQSSA-N 2 3 239.407 1.578 20 0 BDADHP C[NH2+]C1CCC([N@H+]2CCCC[C@H](CN)C2)CC1 ZINC001246595251 988190759 /nfs/dbraw/zinc/19/07/59/988190759.db2.gz SJROPDBXVPVFRE-IYXRBSQSSA-N 2 3 239.407 1.578 20 0 BDADHP C1C[C@@H]2[C@@H](CCN2[C@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]1 ZINC001246637217 988329160 /nfs/dbraw/zinc/32/91/60/988329160.db2.gz PNAYXLPNNQXTLN-BFHYXJOUSA-N 2 3 249.402 1.345 20 0 BDADHP CC[C@@H]1C[C@H](N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246661513 988400962 /nfs/dbraw/zinc/40/09/62/988400962.db2.gz YBSKBUWEFQOCLM-ALUZDYTJSA-N 2 3 237.391 1.185 20 0 BDADHP C[NH2+]CC1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246781331 988463177 /nfs/dbraw/zinc/46/31/77/988463177.db2.gz NYYVBLDMJDSOIQ-PBWFPOADSA-N 2 3 237.391 1.201 20 0 BDADHP C[NH2+]C[C@H](C)CN[C@H](CCC[NH3+])c1ccccc1 ZINC001119630774 989267962 /nfs/dbraw/zinc/26/79/62/989267962.db2.gz JTRDNZPWRMNENS-DZGCQCFKSA-N 2 3 249.402 1.912 20 0 BDADHP C[C@@H]1C[C@@H](C[NH2+][C@]23CCC[C@@H]2CNC3)CC[NH2+]1 ZINC000634733433 344113100 /nfs/dbraw/zinc/11/31/00/344113100.db2.gz FRKNAIIMWKJQFY-RQJABVFESA-N 2 3 237.391 1.106 20 0 BDADHP CC(C)[C@@H](CN)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000634993796 345191711 /nfs/dbraw/zinc/19/17/11/345191711.db2.gz GTYWKOVMWCMMAP-STQMWFEESA-N 2 3 227.396 1.278 20 0 BDADHP CC(C)[C@@H](CN)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000634993796 345191714 /nfs/dbraw/zinc/19/17/14/345191714.db2.gz GTYWKOVMWCMMAP-STQMWFEESA-N 2 3 227.396 1.278 20 0 BDADHP CC[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000635006893 345211218 /nfs/dbraw/zinc/21/12/18/345211218.db2.gz UIIUXWQEFJJXLK-XUXIUFHCSA-N 2 3 239.407 1.624 20 0 BDADHP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCN1 ZINC000635006893 345211220 /nfs/dbraw/zinc/21/12/20/345211220.db2.gz UIIUXWQEFJJXLK-XUXIUFHCSA-N 2 3 239.407 1.624 20 0 BDADHP CC(C)N(C)CCC[NH2+][C@H](C)CCC[NH3+] ZINC000336715435 188256308 /nfs/dbraw/zinc/25/63/08/188256308.db2.gz WPDHCBOQUAIVHU-GFCCVEGCSA-N 2 3 215.385 1.434 20 0 BDADHP NCC1(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000415025006 191655401 /nfs/dbraw/zinc/65/54/01/191655401.db2.gz OSVNQIDKPTUSCP-HAQNSBGRSA-N 2 3 225.380 1.080 20 0 BDADHP CC(C)[C@H]([NH3+])CCN(C)CC[C@H]1CCC[NH2+]C1 ZINC000420283602 192200482 /nfs/dbraw/zinc/20/04/82/192200482.db2.gz CHMLUMYJPJWNSA-ZIAGYGMSSA-N 2 3 241.423 1.681 20 0 BDADHP NCC[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420312956 192210895 /nfs/dbraw/zinc/21/08/95/192210895.db2.gz JHWFDLRXPSTUHM-ZIAGYGMSSA-N 2 3 239.407 1.579 20 0 BDADHP NCC[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420312956 192210897 /nfs/dbraw/zinc/21/08/97/192210897.db2.gz JHWFDLRXPSTUHM-ZIAGYGMSSA-N 2 3 239.407 1.579 20 0 BDADHP [NH3+]CC[C@H]1CCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420312956 192210898 /nfs/dbraw/zinc/21/08/98/192210898.db2.gz JHWFDLRXPSTUHM-ZIAGYGMSSA-N 2 3 239.407 1.579 20 0 BDADHP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCNCC1 ZINC000420313266 192212295 /nfs/dbraw/zinc/21/22/95/192212295.db2.gz PNBQXAYJQWHUSY-KBPBESRZSA-N 2 3 239.407 1.450 20 0 BDADHP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCNCC1 ZINC000420313266 192212297 /nfs/dbraw/zinc/21/22/97/192212297.db2.gz PNBQXAYJQWHUSY-KBPBESRZSA-N 2 3 239.407 1.450 20 0 BDADHP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000420413209 192240809 /nfs/dbraw/zinc/24/08/09/192240809.db2.gz SUWUCASPQRCLGQ-HZSPNIEDSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000420413209 192240812 /nfs/dbraw/zinc/24/08/12/192240812.db2.gz SUWUCASPQRCLGQ-HZSPNIEDSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000420413209 192240814 /nfs/dbraw/zinc/24/08/14/192240814.db2.gz SUWUCASPQRCLGQ-HZSPNIEDSA-N 2 3 239.407 1.293 20 0 BDADHP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000631868181 372671194 /nfs/dbraw/zinc/67/11/94/372671194.db2.gz ZQNHSPLMNSITMJ-MJBXVCDLSA-N 2 3 237.391 1.108 20 0 BDADHP C[C@@H]([NH3+])[C@@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000359230554 385078731 /nfs/dbraw/zinc/07/87/31/385078731.db2.gz ZSHLRPVAMHPYHK-TZMCWYRMSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H](N)[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230554 385078739 /nfs/dbraw/zinc/07/87/39/385078739.db2.gz ZSHLRPVAMHPYHK-TZMCWYRMSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H](N)[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230554 385078745 /nfs/dbraw/zinc/07/87/45/385078745.db2.gz ZSHLRPVAMHPYHK-TZMCWYRMSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1N ZINC000647498839 385421517 /nfs/dbraw/zinc/42/15/17/385421517.db2.gz RVFXADAVONOKLM-STQMWFEESA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1N ZINC000647498839 385421518 /nfs/dbraw/zinc/42/15/18/385421518.db2.gz RVFXADAVONOKLM-STQMWFEESA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@H]1CN(CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647498839 385421521 /nfs/dbraw/zinc/42/15/21/385421521.db2.gz RVFXADAVONOKLM-STQMWFEESA-N 2 3 225.380 1.045 20 0 BDADHP N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647802617 385836199 /nfs/dbraw/zinc/83/61/99/385836199.db2.gz PVVNTJLEXPJOPL-STQMWFEESA-N 2 3 219.332 1.115 20 0 BDADHP C[NH2+]C[C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000647836860 385881559 /nfs/dbraw/zinc/88/15/59/385881559.db2.gz JZDNNWFXXAZAOA-CQSZACIVSA-N 2 3 239.407 1.308 20 0 BDADHP C[C@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666732 386112385 /nfs/dbraw/zinc/11/23/85/386112385.db2.gz XFCZHWSMNZFQTK-YVECIDJPSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666732 386112389 /nfs/dbraw/zinc/11/23/89/386112389.db2.gz XFCZHWSMNZFQTK-YVECIDJPSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CC[NH2+]1 ZINC000414698162 386198038 /nfs/dbraw/zinc/19/80/38/386198038.db2.gz IQIKNZIIQVGANB-YIYPIFLZSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CC[NH2+]1 ZINC000414698162 386198042 /nfs/dbraw/zinc/19/80/42/386198042.db2.gz IQIKNZIIQVGANB-YIYPIFLZSA-N 2 3 237.391 1.058 20 0 BDADHP CC(C)[C@@H](N)CC[N@H+](C)CC1CC[NH2+]CC1 ZINC000337063542 386593165 /nfs/dbraw/zinc/59/31/65/386593165.db2.gz YUDOGGMANMNHRK-ZDUSSCGKSA-N 2 3 227.396 1.291 20 0 BDADHP CC(C)[C@@H](N)CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000337063542 386593175 /nfs/dbraw/zinc/59/31/75/386593175.db2.gz YUDOGGMANMNHRK-ZDUSSCGKSA-N 2 3 227.396 1.291 20 0 BDADHP CC(C)[C@@H]([NH3+])CCN(C)CC1CC[NH2+]CC1 ZINC000337063542 386593180 /nfs/dbraw/zinc/59/31/80/386593180.db2.gz YUDOGGMANMNHRK-ZDUSSCGKSA-N 2 3 227.396 1.291 20 0 BDADHP C[C@H](C[C@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]C1 ZINC000414834234 386722623 /nfs/dbraw/zinc/72/26/23/386722623.db2.gz HDFGLKNIZARGRH-MGPQQGTHSA-N 2 3 239.407 1.496 20 0 BDADHP C(CN1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC000334996828 387088314 /nfs/dbraw/zinc/08/83/14/387088314.db2.gz VYUNURGCAHGILO-ZIAGYGMSSA-N 2 3 237.391 1.062 20 0 BDADHP CC[C@@H](NCC1(C)CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423340231 387187373 /nfs/dbraw/zinc/18/73/73/387187373.db2.gz VQXQCJBKPYEOSD-OLZOCXBDSA-N 2 3 239.407 1.496 20 0 BDADHP CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCCN1 ZINC000423340231 387187376 /nfs/dbraw/zinc/18/73/76/387187376.db2.gz VQXQCJBKPYEOSD-OLZOCXBDSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@H](CCCC[NH3+])N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423427123 387252840 /nfs/dbraw/zinc/25/28/40/387252840.db2.gz IEIXUYWTQBLZTN-AGIUHOORSA-N 2 3 227.396 1.624 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423426967 387253130 /nfs/dbraw/zinc/25/31/30/387253130.db2.gz PZPGYXODMVLIRH-YVECIDJPSA-N 2 3 227.396 1.467 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423462736 387310369 /nfs/dbraw/zinc/31/03/69/387310369.db2.gz DZRHFTORSDOHBL-RFGFWPKPSA-N 2 3 239.407 1.611 20 0 BDADHP NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423463316 387310720 /nfs/dbraw/zinc/31/07/20/387310720.db2.gz FOMJYNDSWSSLNB-RVMXOQNASA-N 2 3 225.380 1.221 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423539739 387365718 /nfs/dbraw/zinc/36/57/18/387365718.db2.gz PFGYDDUYAVCYFA-OCCSQVGLSA-N 2 3 237.391 1.274 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540545 387366722 /nfs/dbraw/zinc/36/67/22/387366722.db2.gz QRKNRBXFDSRYEX-KBPBESRZSA-N 2 3 237.391 1.403 20 0 BDADHP C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1CN ZINC000422637599 387611066 /nfs/dbraw/zinc/61/10/66/387611066.db2.gz OZXCOXLNWNRUJM-ZOBORPQBSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1CN ZINC000422637599 387611067 /nfs/dbraw/zinc/61/10/67/387611067.db2.gz OZXCOXLNWNRUJM-ZOBORPQBSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@H](C)N(CC[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000422637599 387611072 /nfs/dbraw/zinc/61/10/72/387611072.db2.gz OZXCOXLNWNRUJM-ZOBORPQBSA-N 2 3 239.407 1.291 20 0 BDADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000643523847 387733150 /nfs/dbraw/zinc/73/31/50/387733150.db2.gz BHRCSWZZHQFMBG-SWLSCSKDSA-N 2 3 245.370 1.507 20 0 BDADHP CCCN1CC[C@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422977312 387789044 /nfs/dbraw/zinc/78/90/44/387789044.db2.gz WQFYUERHUQCIQZ-QWHCGFSZSA-N 2 3 227.396 1.435 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423170322 387957729 /nfs/dbraw/zinc/95/77/29/387957729.db2.gz LPGAUAPLKRVLMD-RWMBFGLXSA-N 2 3 227.396 1.434 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423170322 387957733 /nfs/dbraw/zinc/95/77/33/387957733.db2.gz LPGAUAPLKRVLMD-RWMBFGLXSA-N 2 3 227.396 1.434 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@H]1CN ZINC000423284249 388066839 /nfs/dbraw/zinc/06/68/39/388066839.db2.gz WTVBCWRFRZDVIV-WOPDTQHZSA-N 2 3 213.369 1.221 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCC[C@H]1CN ZINC000423268403 388047260 /nfs/dbraw/zinc/04/72/60/388047260.db2.gz DNXAQHXPHHGYIG-AGIUHOORSA-N 2 3 227.396 1.611 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423268404 388048011 /nfs/dbraw/zinc/04/80/11/388048011.db2.gz DNXAQHXPHHGYIG-FRRDWIJNSA-N 2 3 227.396 1.611 20 0 BDADHP [NH3+][C@@H]1C[C@@H](NCC2CC[NH2+]CC2)c2ccccc21 ZINC000516921189 388525002 /nfs/dbraw/zinc/52/50/02/388525002.db2.gz JHULSIHMJJOJQI-HUUCEWRRSA-N 2 3 245.370 1.720 20 0 BDADHP [NH3+]CC1(CC[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000650746025 410385199 /nfs/dbraw/zinc/38/51/99/410385199.db2.gz ULMWNQKYFFRZBM-OLZOCXBDSA-N 2 3 237.391 1.332 20 0 BDADHP [NH3+]CC1(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000650746025 410385208 /nfs/dbraw/zinc/38/52/08/410385208.db2.gz ULMWNQKYFFRZBM-OLZOCXBDSA-N 2 3 237.391 1.332 20 0 BDADHP [NH3+]CC1(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000650746025 410385214 /nfs/dbraw/zinc/38/52/14/410385214.db2.gz ULMWNQKYFFRZBM-OLZOCXBDSA-N 2 3 237.391 1.332 20 0 BDADHP C[C@@H](NCCC1(C[NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000650747712 410387421 /nfs/dbraw/zinc/38/74/21/410387421.db2.gz GDLIMMRQFMZSLK-VXGBXAGGSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@@H](NCCC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000650762012 410410284 /nfs/dbraw/zinc/41/02/84/410410284.db2.gz QBHNGWLGQXIFGS-OCCSQVGLSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@H]([NH2+]C[C@@H]1CCCN1)C1CC[NH+](C)CC1 ZINC000396458291 410882063 /nfs/dbraw/zinc/88/20/63/410882063.db2.gz OGYMXMUNIAEWDK-AAEUAGOBSA-N 2 3 225.380 1.058 20 0 BDADHP C[C@H](CC[NH3+])NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656787123 411366346 /nfs/dbraw/zinc/36/63/46/411366346.db2.gz UOLMUNZNEZQMKH-LLVKDONJSA-N 2 3 233.359 1.159 20 0 BDADHP CN(CC[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563152488 323095832 /nfs/dbraw/zinc/09/58/32/323095832.db2.gz KCEYVXYXLMFCFZ-HABKJSAYSA-N 2 3 237.391 1.201 20 0 BDADHP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCNC1 ZINC000572822561 326412760 /nfs/dbraw/zinc/41/27/60/326412760.db2.gz PNJDECXCJJYOHG-REWJHTLYSA-N 2 3 239.407 1.482 20 0 BDADHP CC[NH+](CC)CC1CC[NH+](CC(C)(C)N)CC1 ZINC000261640341 535496415 /nfs/dbraw/zinc/49/64/15/535496415.db2.gz AEEYSXDRWRGKNB-UHFFFAOYSA-N 2 3 241.423 1.778 20 0 BDADHP C[NH+](C)CCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250343903 535831451 /nfs/dbraw/zinc/83/14/51/535831451.db2.gz DZQUXGUXGJWKFP-KGLIPLIRSA-N 2 3 239.407 1.545 20 0 BDADHP C[NH+](C)CCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250343903 535831455 /nfs/dbraw/zinc/83/14/55/535831455.db2.gz DZQUXGUXGJWKFP-KGLIPLIRSA-N 2 3 239.407 1.545 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000250343903 535831460 /nfs/dbraw/zinc/83/14/60/535831460.db2.gz DZQUXGUXGJWKFP-KGLIPLIRSA-N 2 3 239.407 1.545 20 0 BDADHP CC1(C)CNCC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000902393600 584584158 /nfs/dbraw/zinc/58/41/58/584584158.db2.gz QZBOCNSBMNUMAN-QWHCGFSZSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902486951 584626039 /nfs/dbraw/zinc/62/60/39/584626039.db2.gz HYCHZFHYRJIMTJ-MXAVVETBSA-N 2 3 247.386 1.272 20 0 BDADHP C[C@@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425015 584765275 /nfs/dbraw/zinc/76/52/75/584765275.db2.gz ORIBUMJJWUTFKB-LPWJVIDDSA-N 2 3 225.380 1.173 20 0 BDADHP C[C@@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425015 584765276 /nfs/dbraw/zinc/76/52/76/584765276.db2.gz ORIBUMJJWUTFKB-LPWJVIDDSA-N 2 3 225.380 1.173 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425014 584765338 /nfs/dbraw/zinc/76/53/38/584765338.db2.gz ORIBUMJJWUTFKB-LOWDOPEQSA-N 2 3 225.380 1.173 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425014 584765339 /nfs/dbraw/zinc/76/53/39/584765339.db2.gz ORIBUMJJWUTFKB-LOWDOPEQSA-N 2 3 225.380 1.173 20 0 BDADHP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCNC12CCC2 ZINC000903471862 584775241 /nfs/dbraw/zinc/77/52/41/584775241.db2.gz VDYKPXCIRLTZDK-CHWSQXEVSA-N 2 3 237.391 1.250 20 0 BDADHP C[C@@H]1C[N@H+](C[C@H]2CCCCNC2)C[C@H]1CC[NH3+] ZINC000903784720 584800014 /nfs/dbraw/zinc/80/00/14/584800014.db2.gz QOBGCRWBTITSFO-HZSPNIEDSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1C[N@@H+](C[C@H]2CCCCNC2)C[C@H]1CC[NH3+] ZINC000903784720 584800015 /nfs/dbraw/zinc/80/00/15/584800015.db2.gz QOBGCRWBTITSFO-HZSPNIEDSA-N 2 3 239.407 1.293 20 0 BDADHP [NH3+]CCCCCCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903861430 584811647 /nfs/dbraw/zinc/81/16/47/584811647.db2.gz WWOTYSPEAKZDJG-QWHCGFSZSA-N 2 3 225.380 1.319 20 0 BDADHP C[N@H+](CCCN)CCCC[NH+]1CCCCC1 ZINC000903949179 584830285 /nfs/dbraw/zinc/83/02/85/584830285.db2.gz ZRIOFZYVVXRGRO-UHFFFAOYSA-N 2 3 227.396 1.533 20 0 BDADHP C[N@@H+](CCCN)CCCC[NH+]1CCCCC1 ZINC000903949179 584830286 /nfs/dbraw/zinc/83/02/86/584830286.db2.gz ZRIOFZYVVXRGRO-UHFFFAOYSA-N 2 3 227.396 1.533 20 0 BDADHP CN(CCC[NH3+])CCCC[NH+]1CCCCC1 ZINC000903949179 584830288 /nfs/dbraw/zinc/83/02/88/584830288.db2.gz ZRIOFZYVVXRGRO-UHFFFAOYSA-N 2 3 227.396 1.533 20 0 BDADHP CC(C)(C)CC[C@H](N)C[NH+]1CCC(C[NH3+])CC1 ZINC000904300146 584861313 /nfs/dbraw/zinc/86/13/13/584861313.db2.gz XFSGFWDSGROCED-ZDUSSCGKSA-N 2 3 241.423 1.811 20 0 BDADHP C[C@@]1(CN2CCC[C@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904334437 584866370 /nfs/dbraw/zinc/86/63/70/584866370.db2.gz WBDWGZHTTCGEIF-ZIAGYGMSSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@]1(C[N@@H+]2CCC[C@H](CC[NH3+])C2)CCCNC1 ZINC000904334437 584866371 /nfs/dbraw/zinc/86/63/71/584866371.db2.gz WBDWGZHTTCGEIF-ZIAGYGMSSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@]1(C[N@H+]2CCC[C@H](CC[NH3+])C2)CCCNC1 ZINC000904334437 584866372 /nfs/dbraw/zinc/86/63/72/584866372.db2.gz WBDWGZHTTCGEIF-ZIAGYGMSSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@]1(C[NH2+]CCC2(C[NH3+])CC2)CCCNC1 ZINC000904376357 584876096 /nfs/dbraw/zinc/87/60/96/584876096.db2.gz PMMYIASUQHQAPI-LBPRGKRZSA-N 2 3 225.380 1.095 20 0 BDADHP C[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC[NH2+]CC1 ZINC000904383991 584877493 /nfs/dbraw/zinc/87/74/93/584877493.db2.gz GEGXQPAFVWHFFW-JSGCOSHPSA-N 2 3 239.407 1.354 20 0 BDADHP CC(C)[C@H](CN)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410597 584879071 /nfs/dbraw/zinc/87/90/71/584879071.db2.gz PNOLQIMAPLSHCG-JHJVBQTASA-N 2 3 227.396 1.134 20 0 BDADHP CC(C)[C@H](CN)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410597 584879072 /nfs/dbraw/zinc/87/90/72/584879072.db2.gz PNOLQIMAPLSHCG-JHJVBQTASA-N 2 3 227.396 1.134 20 0 BDADHP [NH3+]CCCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000846220438 588259990 /nfs/dbraw/zinc/25/99/90/588259990.db2.gz PIUMHWZQAVBWQY-CYBMUJFWSA-N 2 3 225.380 1.191 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846217968 588260363 /nfs/dbraw/zinc/26/03/63/588260363.db2.gz PPGDIKDSEQDOLZ-STQMWFEESA-N 2 3 227.396 1.565 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846217968 588260364 /nfs/dbraw/zinc/26/03/64/588260364.db2.gz PPGDIKDSEQDOLZ-STQMWFEESA-N 2 3 227.396 1.565 20 0 BDADHP C[C@H]([NH3+])[C@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846217968 588260365 /nfs/dbraw/zinc/26/03/65/588260365.db2.gz PPGDIKDSEQDOLZ-STQMWFEESA-N 2 3 227.396 1.565 20 0 BDADHP CN(CCCCCC[NH3+])C[C@]1(C)CC[NH2+]C1 ZINC000873231498 590002874 /nfs/dbraw/zinc/00/28/74/590002874.db2.gz LEUMRIDIRIQWBB-CYBMUJFWSA-N 2 3 227.396 1.437 20 0 BDADHP CN(CCCCCC[NH3+])C[C@]12C[C@H]1C[NH2+]C2 ZINC000873231465 590003086 /nfs/dbraw/zinc/00/30/86/590003086.db2.gz KCCAVNNGJJGOIW-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP NCCC[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232358 590003419 /nfs/dbraw/zinc/00/34/19/590003419.db2.gz XKXGCICUYXREDT-GFCCVEGCSA-N 2 3 225.380 1.237 20 0 BDADHP [NH3+][C@H]1C[C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000873256256 590011102 /nfs/dbraw/zinc/01/11/02/590011102.db2.gz NEVDETIFTZAXLQ-NUZBWSBOSA-N 2 3 231.343 1.458 20 0 BDADHP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)C1CC[NH2+]CC1 ZINC000873272479 590016065 /nfs/dbraw/zinc/01/60/65/590016065.db2.gz UCGHNTSLTYOEEI-CYZMBNFOSA-N 2 3 225.380 1.092 20 0 BDADHP C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000089145848 632657191 /nfs/dbraw/zinc/65/71/91/632657191.db2.gz RZKYPVJEDZUUPK-KGLIPLIRSA-N 2 3 239.407 1.435 20 0 BDADHP CCN1CC[C@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000054242795 636240548 /nfs/dbraw/zinc/24/05/48/636240548.db2.gz CYEHGKGZCKPKMN-CQSZACIVSA-N 2 3 239.407 1.260 20 0 BDADHP CC(C)(N)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925699312 646423869 /nfs/dbraw/zinc/42/38/69/646423869.db2.gz NUZYLIDVKNCZPG-CYBMUJFWSA-N 2 3 235.375 1.794 20 0 BDADHP C1=C(CC[NH2+][C@H]2CCNC23CCC3)CC[NH2+]C1 ZINC000925706183 646431317 /nfs/dbraw/zinc/43/13/17/646431317.db2.gz MKMICUMWYNUBQM-ZDUSSCGKSA-N 2 3 235.375 1.170 20 0 BDADHP C1CC12CNC[C@@H]2[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246131428 972188401 /nfs/dbraw/zinc/18/84/01/972188401.db2.gz JWDQGGLXZYBEQF-STQMWFEESA-N 2 3 249.402 1.250 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)CCN1 ZINC001246263876 972251022 /nfs/dbraw/zinc/25/10/22/972251022.db2.gz LPJDBUFKFZFDBK-STQMWFEESA-N 2 3 237.391 1.202 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CC23CC[NH+](CC2)CC3)CCN1 ZINC001246263860 972251726 /nfs/dbraw/zinc/25/17/26/972251726.db2.gz LPJDBUFKFZFDBK-CHWSQXEVSA-N 2 3 237.391 1.202 20 0 BDADHP [NH3+]C12CC(CCN3CCC[C@@]34CCC[NH2+]C4)(C1)C2 ZINC001222230869 972417541 /nfs/dbraw/zinc/41/75/41/972417541.db2.gz FRGWTSOMMNEZJL-YMAMQOFZSA-N 2 3 249.402 1.476 20 0 BDADHP [NH3+]C12CC(CC[N@@H+]3CCC[C@@]34CCCNC4)(C1)C2 ZINC001222230869 972417549 /nfs/dbraw/zinc/41/75/49/972417549.db2.gz FRGWTSOMMNEZJL-YMAMQOFZSA-N 2 3 249.402 1.476 20 0 BDADHP [NH3+]C12CC(CC[N@H+]3CCC[C@@]34CCCNC4)(C1)C2 ZINC001222230869 972417555 /nfs/dbraw/zinc/41/75/55/972417555.db2.gz FRGWTSOMMNEZJL-YMAMQOFZSA-N 2 3 249.402 1.476 20 0 BDADHP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1N ZINC001205863491 967863094 /nfs/dbraw/zinc/86/30/94/967863094.db2.gz YIORQBNFWIZVNZ-UPJWGTAASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1N ZINC001205863491 967863098 /nfs/dbraw/zinc/86/30/98/967863098.db2.gz YIORQBNFWIZVNZ-UPJWGTAASA-N 2 3 225.380 1.045 20 0 BDADHP [NH3+]CC1CCC(NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001334708823 976592485 /nfs/dbraw/zinc/59/24/85/976592485.db2.gz WRKRUARHNNFYLE-JXQTWKCFSA-N 2 3 239.407 1.626 20 0 BDADHP C[C@H]1[C@H](C[NH3+])CCCN1Cc1ccc(C[NH3+])cc1 ZINC001205903643 983126203 /nfs/dbraw/zinc/12/62/03/983126203.db2.gz QMVFWKDEIPAITK-WFASDCNBSA-N 2 3 247.386 1.705 20 0 BDADHP CCN(CC)CC[C@H](C)[NH2+]C1CC(CC[NH3+])C1 ZINC001577687731 984636673 /nfs/dbraw/zinc/63/66/73/984636673.db2.gz QXGKEXQAKJMUSC-HSBZDZAISA-N 2 3 241.423 1.824 20 0 BDADHP CCN(CC)CC[C@@H](C)[NH2+]C1CC2(C[NH2+]C2)C1 ZINC001577687596 984644135 /nfs/dbraw/zinc/64/41/35/984644135.db2.gz LVWNWRKCUGTMSN-GFCCVEGCSA-N 2 3 239.407 1.448 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@@H]2CNCC23CC3)CC1 ZINC001577764367 984739663 /nfs/dbraw/zinc/73/96/63/984739663.db2.gz YVFNBIVWNMWJJW-CYBMUJFWSA-N 2 3 237.391 1.060 20 0 BDADHP CN1CCCC[C@@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001578529047 985160400 /nfs/dbraw/zinc/16/04/00/985160400.db2.gz PGBAEYKBQYTTGT-AHPWVWPOSA-N 2 3 237.391 1.188 20 0 BDADHP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246082077 987377383 /nfs/dbraw/zinc/37/73/83/987377383.db2.gz VWUPPSXLDGSTKL-KGLIPLIRSA-N 2 3 237.391 1.250 20 0 BDADHP CCN1CCC([NH2+]C[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC001246106780 987436284 /nfs/dbraw/zinc/43/62/84/987436284.db2.gz FTFLTENTOGJJOR-CHWSQXEVSA-N 2 3 239.407 1.448 20 0 BDADHP CCN1CCC([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC001246121846 987467846 /nfs/dbraw/zinc/46/78/46/987467846.db2.gz UKEJWJYXVMZHGQ-OLZOCXBDSA-N 2 3 239.407 1.306 20 0 BDADHP C[C@@H]1CC[C@H](NCC[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC001246177203 987550146 /nfs/dbraw/zinc/55/01/46/987550146.db2.gz RTKCWCWDZAKHLI-MCIONIFRSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1CC[C@H](NCC[C@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246177203 987550149 /nfs/dbraw/zinc/55/01/49/987550149.db2.gz RTKCWCWDZAKHLI-MCIONIFRSA-N 2 3 239.407 1.448 20 0 BDADHP N[C@H]1C[C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246188193 987574284 /nfs/dbraw/zinc/57/42/84/987574284.db2.gz IBKCHVWZMNCZRA-BJHJDKERSA-N 2 3 237.391 1.378 20 0 BDADHP C[C@@H]1CC[C@@H](NCCCCCCC[NH3+])C[NH2+]1 ZINC001246303776 987702167 /nfs/dbraw/zinc/70/21/67/987702167.db2.gz AOQGWRNFWLYSFI-CHWSQXEVSA-N 2 3 227.396 1.626 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CCCCCCC[NH3+])CCN1 ZINC001246305713 987706000 /nfs/dbraw/zinc/70/60/00/987706000.db2.gz IXLNGSUNLCMCLP-CHWSQXEVSA-N 2 3 227.396 1.626 20 0 BDADHP C[NH+]1CCC(CCCN[C@H]2CCC[NH2+]C2)CC1 ZINC001246367103 987772402 /nfs/dbraw/zinc/77/24/02/987772402.db2.gz YQOCHYATDMCBBA-AWEZNQCLSA-N 2 3 239.407 1.450 20 0 BDADHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246443587 987803574 /nfs/dbraw/zinc/80/35/74/987803574.db2.gz HLVNLCLIMRHSHD-CHWSQXEVSA-N 2 3 239.407 1.448 20 0 BDADHP CC[NH+](CC)CCC[C@@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246443587 987803579 /nfs/dbraw/zinc/80/35/79/987803579.db2.gz HLVNLCLIMRHSHD-CHWSQXEVSA-N 2 3 239.407 1.448 20 0 BDADHP CC(C)[NH2+]CCN[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246455553 987813492 /nfs/dbraw/zinc/81/34/92/987813492.db2.gz XOWHAMHGNHADCE-ZIAGYGMSSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@]1(N)C[C@H]([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246458501 987817061 /nfs/dbraw/zinc/81/70/61/987817061.db2.gz GXWTWSNLTWHYDZ-UPJWGTAASA-N 2 3 237.391 1.378 20 0 BDADHP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CCN1 ZINC001246477251 987834880 /nfs/dbraw/zinc/83/48/80/987834880.db2.gz NFDRBDHZBSCBHQ-TUAOUCFPSA-N 2 3 243.370 1.054 20 0 BDADHP [NH3+][C@@H]1CN([C@@H]2CCC3(C2)CC[NH2+]CC3)CC12CC2 ZINC001246533396 987889889 /nfs/dbraw/zinc/88/98/89/987889889.db2.gz NIIVNYFAFLRHSK-CHWSQXEVSA-N 2 3 249.402 1.332 20 0 BDADHP CC[C@H]1C[C@H](N2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246537814 987898905 /nfs/dbraw/zinc/89/89/05/987898905.db2.gz LXLFFNMBOODNMC-QWHCGFSZSA-N 2 3 225.380 1.188 20 0 BDADHP CN1CCC[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546838 987926036 /nfs/dbraw/zinc/92/60/36/987926036.db2.gz ATXGFRVJFFJRQU-UONOGXRCSA-N 2 3 239.407 1.674 20 0 BDADHP CN1CCC[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546838 987926041 /nfs/dbraw/zinc/92/60/41/987926041.db2.gz ATXGFRVJFFJRQU-UONOGXRCSA-N 2 3 239.407 1.674 20 0 BDADHP C[C@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246573796 988067378 /nfs/dbraw/zinc/06/73/78/988067378.db2.gz ZDMFORNRHUWJSW-XJFOESAGSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246573796 988067398 /nfs/dbraw/zinc/06/73/98/988067398.db2.gz ZDMFORNRHUWJSW-XJFOESAGSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246677222 988421577 /nfs/dbraw/zinc/42/15/77/988421577.db2.gz HBDADJAJJBAHOK-WCQYABFASA-N 2 3 225.380 1.058 20 0 BDADHP C[C@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1 ZINC001246677222 988421586 /nfs/dbraw/zinc/42/15/86/988421586.db2.gz HBDADJAJJBAHOK-WCQYABFASA-N 2 3 225.380 1.058 20 0 BDADHP C[C@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CCN1 ZINC001246808768 988492436 /nfs/dbraw/zinc/49/24/36/988492436.db2.gz PCBCDGGCJRBERP-WJTVCTBASA-N 2 3 223.364 1.081 20 0 BDADHP C[C@H]1C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CCN1 ZINC001246808768 988492442 /nfs/dbraw/zinc/49/24/42/988492442.db2.gz PCBCDGGCJRBERP-WJTVCTBASA-N 2 3 223.364 1.081 20 0 BDADHP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246930178 988755395 /nfs/dbraw/zinc/75/53/95/988755395.db2.gz IHYAETYTUINMQG-IGQOVBAYSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246930178 988755411 /nfs/dbraw/zinc/75/54/11/988755411.db2.gz IHYAETYTUINMQG-IGQOVBAYSA-N 2 3 237.391 1.058 20 0 BDADHP CC(C)N1CC[C@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001575696440 993094112 /nfs/dbraw/zinc/09/41/12/993094112.db2.gz ASFMZYXRZJZUDG-NELGMTEASA-N 2 3 237.391 1.186 20 0 BDADHP CC(C)[NH+]1CCC(CC[NH2+]C2CC(N)C2)CC1 ZINC001575697115 993095904 /nfs/dbraw/zinc/09/59/04/993095904.db2.gz QGVSALVOWOPRQM-UHFFFAOYSA-N 2 3 239.407 1.576 20 0 BDADHP CNCCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424291354 398180855 /nfs/dbraw/zinc/18/08/55/398180855.db2.gz NPKUSDJMMKXRGV-LBPRGKRZSA-N 2 3 225.380 1.060 20 0 BDADHP CNCCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424291354 398180856 /nfs/dbraw/zinc/18/08/56/398180856.db2.gz NPKUSDJMMKXRGV-LBPRGKRZSA-N 2 3 225.380 1.060 20 0 BDADHP C[C@@H]1C[C@H](CN2C[C@H]3CCC[C@]3([NH3+])C2)CC[NH2+]1 ZINC000622004226 344181766 /nfs/dbraw/zinc/18/17/66/344181766.db2.gz MCEAGRRZZKZLQH-SYQHCUMBSA-N 2 3 237.391 1.188 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000093215625 344312600 /nfs/dbraw/zinc/31/26/00/344312600.db2.gz LDTUMMJGFJDURF-KBPBESRZSA-N 2 3 239.407 1.578 20 0 BDADHP C[NH2+]CC1CC[NH+](C[C@@H](CN)C(C)C)CC1 ZINC000634990977 345174020 /nfs/dbraw/zinc/17/40/20/345174020.db2.gz KCAULFXCHRRLAD-CYBMUJFWSA-N 2 3 227.396 1.149 20 0 BDADHP CC(C)[C@@H]([NH3+])CCN(C)CC[C@H]1CCC[NH2+]C1 ZINC000420283600 192200404 /nfs/dbraw/zinc/20/04/04/192200404.db2.gz CHMLUMYJPJWNSA-KGLIPLIRSA-N 2 3 241.423 1.681 20 0 BDADHP CCN(CC)CCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420292136 192203083 /nfs/dbraw/zinc/20/30/83/192203083.db2.gz LIAYPWNJKPNBJM-ZDUSSCGKSA-N 2 3 241.423 1.778 20 0 BDADHP C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000578348578 366532563 /nfs/dbraw/zinc/53/25/63/366532563.db2.gz AHSYPFYPJULYFM-FQUUOJAGSA-N 2 3 239.407 1.624 20 0 BDADHP CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629528205 361133132 /nfs/dbraw/zinc/13/31/32/361133132.db2.gz SKTPEZBYDVJPEQ-PDWCTOEPSA-N 2 3 237.391 1.105 20 0 BDADHP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000575935451 365422168 /nfs/dbraw/zinc/42/21/68/365422168.db2.gz UBRZNAFSSVLFIU-UONOGXRCSA-N 2 3 233.359 1.505 20 0 BDADHP [NH3+][C@@]12CCC[C@@H]1CN(CCC1CC[NH2+]CC1)C2 ZINC000621781415 370531005 /nfs/dbraw/zinc/53/10/05/370531005.db2.gz DQOVXESFPVHOOA-ZIAGYGMSSA-N 2 3 237.391 1.189 20 0 BDADHP C[NH2+]CCC1CC[NH+](CC(C)(C)N)CC1 ZINC000261564800 383910579 /nfs/dbraw/zinc/91/05/79/383910579.db2.gz CSDSHDNTOCDEMI-UHFFFAOYSA-N 2 3 213.369 1.045 20 0 BDADHP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548702 384038734 /nfs/dbraw/zinc/03/87/34/384038734.db2.gz TZQLFBLLBLFZLF-STQMWFEESA-N 2 3 239.407 1.768 20 0 BDADHP C[C@@H]1C[NH2+]C[C@@H](NC2CCC([NH+](C)C)CC2)C1 ZINC000647552118 384756436 /nfs/dbraw/zinc/75/64/36/384756436.db2.gz GRFMCPRHQLEITN-AHPWVWPOSA-N 2 3 239.407 1.447 20 0 BDADHP CC1([NH3+])CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647924062 385937925 /nfs/dbraw/zinc/93/79/25/385937925.db2.gz BFHVDACRLMYMDA-UHFFFAOYSA-N 2 3 239.407 1.579 20 0 BDADHP C[C@@H]1C[C@H](CN2CC[C@@H]([NH3+])[C@@H](C)C2)CC[NH2+]1 ZINC000414664090 386106669 /nfs/dbraw/zinc/10/66/69/386106669.db2.gz SYMOOAKSTVIFGQ-UMSGYPCISA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](N)[C@@H](C)C2)CC[NH2+]1 ZINC000414664090 386106673 /nfs/dbraw/zinc/10/66/73/386106673.db2.gz SYMOOAKSTVIFGQ-UMSGYPCISA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](N)[C@@H](C)C2)CC[NH2+]1 ZINC000414664090 386106679 /nfs/dbraw/zinc/10/66/79/386106679.db2.gz SYMOOAKSTVIFGQ-UMSGYPCISA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCCNCC2)CC[NH2+]1 ZINC000414753672 386388649 /nfs/dbraw/zinc/38/86/49/386388649.db2.gz QPLUXLMVDWURAZ-MCIONIFRSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCCNCC2)CC[NH2+]1 ZINC000414753672 386388650 /nfs/dbraw/zinc/38/86/50/386388650.db2.gz QPLUXLMVDWURAZ-MCIONIFRSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000415020313 386508952 /nfs/dbraw/zinc/50/89/52/386508952.db2.gz XAAMCLZFXWVOAU-JHJVBQTASA-N 2 3 227.396 1.482 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C)[C@H](CN)C2)CC[NH2+]1 ZINC000415126028 386627312 /nfs/dbraw/zinc/62/73/12/386627312.db2.gz LWDNJXXLLUKTKI-REWJHTLYSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)[C@H](CN)C2)CC[NH2+]1 ZINC000415126028 386627318 /nfs/dbraw/zinc/62/73/18/386627318.db2.gz LWDNJXXLLUKTKI-REWJHTLYSA-N 2 3 239.407 1.291 20 0 BDADHP NC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000414803750 386599116 /nfs/dbraw/zinc/59/91/16/386599116.db2.gz NZDIFYBNOWLVKH-OLZOCXBDSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@H]([NH3+])C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000336312086 387139732 /nfs/dbraw/zinc/13/97/32/387139732.db2.gz AEAHWMFGYUHQQB-RYUDHWBXSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000336312086 387139734 /nfs/dbraw/zinc/13/97/34/387139734.db2.gz AEAHWMFGYUHQQB-RYUDHWBXSA-N 2 3 225.380 1.045 20 0 BDADHP NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423463315 387310447 /nfs/dbraw/zinc/31/04/47/387310447.db2.gz FOMJYNDSWSSLNB-CYDGBPFRSA-N 2 3 225.380 1.221 20 0 BDADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423393062 387278646 /nfs/dbraw/zinc/27/86/46/387278646.db2.gz QIYJTJHGGFCVRM-GHMZBOCLSA-N 2 3 233.359 1.505 20 0 BDADHP C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000423459913 387308778 /nfs/dbraw/zinc/30/87/78/387308778.db2.gz AHSYPFYPJULYFM-REWJHTLYSA-N 2 3 239.407 1.624 20 0 BDADHP NC[C@H]1CCCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540546 387366607 /nfs/dbraw/zinc/36/66/07/387366607.db2.gz QRKNRBXFDSRYEX-KGLIPLIRSA-N 2 3 237.391 1.403 20 0 BDADHP C[C@@H](NCCC1=CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423545676 387369619 /nfs/dbraw/zinc/36/96/19/387369619.db2.gz YHEVFNWONYCMSS-TZMCWYRMSA-N 2 3 237.391 1.416 20 0 BDADHP C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000423545691 387370124 /nfs/dbraw/zinc/37/01/24/387370124.db2.gz JWOHOCNZLLZDIM-RYMFRWLXSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCN1 ZINC000423545691 387370129 /nfs/dbraw/zinc/37/01/29/387370129.db2.gz JWOHOCNZLLZDIM-RYMFRWLXSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@@H](CCCC[NH3+])N[C@H]1CCCC[NH2+]C1 ZINC000423553595 387371930 /nfs/dbraw/zinc/37/19/30/387371930.db2.gz KMSOSAYYCHGSBP-RYUDHWBXSA-N 2 3 213.369 1.236 20 0 BDADHP C[C@@H](CCCC[NH3+])N[C@@H]1CCCC[NH2+]C1 ZINC000423553594 387373189 /nfs/dbraw/zinc/37/31/89/387373189.db2.gz KMSOSAYYCHGSBP-NWDGAFQWSA-N 2 3 213.369 1.236 20 0 BDADHP C[C@@H](CCCC[NH3+])[NH2+]CCCNC1CC1 ZINC000423561836 387378055 /nfs/dbraw/zinc/37/80/55/387378055.db2.gz QFHFMLCOHIZJON-NSHDSACASA-N 2 3 213.369 1.236 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423495399 387337796 /nfs/dbraw/zinc/33/77/96/387337796.db2.gz FBQSFUPUOPQZPF-VOAKCMCISA-N 2 3 225.380 1.221 20 0 BDADHP C[C@@H]1C[C@H](C)[N@H+](CC2CC[NH2+]CC2)C[C@@H]1CN ZINC000422560694 387602602 /nfs/dbraw/zinc/60/26/02/387602602.db2.gz HPJZAZIKPIZKGK-DYEKYZERSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1CN ZINC000422560694 387602604 /nfs/dbraw/zinc/60/26/04/387602604.db2.gz HPJZAZIKPIZKGK-DYEKYZERSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000422778062 387676013 /nfs/dbraw/zinc/67/60/13/387676013.db2.gz HBJUXSHLKPYTOV-CHWSQXEVSA-N 2 3 227.396 1.306 20 0 BDADHP C[C@@H](CCC[NH3+])[NH2+]CC[C@H](C)N1CCCCC1 ZINC000423034957 387851586 /nfs/dbraw/zinc/85/15/86/387851586.db2.gz QXKCFUYWCPCEJD-KBPBESRZSA-N 2 3 241.423 1.968 20 0 BDADHP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@H]1CN)C1CC1 ZINC000423163833 387923159 /nfs/dbraw/zinc/92/31/59/387923159.db2.gz NPAMZXZWMOLLCO-GXTWGEPZSA-N 2 3 239.407 1.578 20 0 BDADHP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H]1CN)C1CC1 ZINC000423163833 387923160 /nfs/dbraw/zinc/92/31/60/387923160.db2.gz NPAMZXZWMOLLCO-GXTWGEPZSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H](NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423275214 388056562 /nfs/dbraw/zinc/05/65/62/388056562.db2.gz MXMAMTUOJHTFFA-HZSPNIEDSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H](NC1CCC([NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000333286311 388100849 /nfs/dbraw/zinc/10/08/49/388100849.db2.gz NKBQXYZOLQSCIT-XVSSEFHLSA-N 2 3 225.380 1.377 20 0 BDADHP C[C@@]1(CN2CCC3(CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC000334590933 135761225 /nfs/dbraw/zinc/76/12/25/135761225.db2.gz GTEPBHUUWFVPIF-CYBMUJFWSA-N 2 3 237.391 1.062 20 0 BDADHP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)CN(C)C ZINC000383660655 398032799 /nfs/dbraw/zinc/03/27/99/398032799.db2.gz JGMCYRIOWVKLPN-STQMWFEESA-N 2 3 241.423 1.504 20 0 BDADHP [NH3+][C@@H]1C[C@H](NCC[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000566087932 410065682 /nfs/dbraw/zinc/06/56/82/410065682.db2.gz FRSLKCFUAIEYGQ-DFBGVHRSSA-N 2 3 245.370 1.720 20 0 BDADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762224 410411935 /nfs/dbraw/zinc/41/19/35/410411935.db2.gz XJKQLFARIPRQSB-STQMWFEESA-N 2 3 225.380 1.093 20 0 BDADHP CC(C)[C@H](N)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000665280777 412224989 /nfs/dbraw/zinc/22/49/89/412224989.db2.gz LCPYQMJHPMWJRU-GXTWGEPZSA-N 2 3 241.423 1.680 20 0 BDADHP C[C@H]1C[C@H](CN)C[N@H+]1CCCCCC[NH3+] ZINC000846220502 588261296 /nfs/dbraw/zinc/26/12/96/588261296.db2.gz RLARHIFASYOUIX-NWDGAFQWSA-N 2 3 213.369 1.175 20 0 BDADHP [NH3+]CCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000570805029 323070976 /nfs/dbraw/zinc/07/09/76/323070976.db2.gz CWLWCJRZGCMQJH-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]CCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000570805029 323070977 /nfs/dbraw/zinc/07/09/77/323070977.db2.gz CWLWCJRZGCMQJH-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000902393552 584584224 /nfs/dbraw/zinc/58/42/24/584584224.db2.gz PVIVMOPRCKHWHA-XQQFMLRXSA-N 2 3 239.407 1.482 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000902394595 584584988 /nfs/dbraw/zinc/58/49/88/584584988.db2.gz ZBFMRCQLLUMDIH-LBPRGKRZSA-N 2 3 239.407 1.483 20 0 BDADHP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CCN ZINC000903461189 584766709 /nfs/dbraw/zinc/76/67/09/584766709.db2.gz OWEMMNFNNWDYCU-YIYPIFLZSA-N 2 3 239.407 1.563 20 0 BDADHP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CCN ZINC000903461189 584766711 /nfs/dbraw/zinc/76/67/11/584766711.db2.gz OWEMMNFNNWDYCU-YIYPIFLZSA-N 2 3 239.407 1.563 20 0 BDADHP [NH3+]CCCCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000903470797 584774903 /nfs/dbraw/zinc/77/49/03/584774903.db2.gz DBMYSDWXMHMPCI-GFCCVEGCSA-N 2 3 225.380 1.380 20 0 BDADHP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCNC23CCCC3)C1 ZINC000903482055 584778682 /nfs/dbraw/zinc/77/86/82/584778682.db2.gz VQISCINCQPUQKM-XQQFMLRXSA-N 2 3 237.391 1.378 20 0 BDADHP N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000903843356 584807477 /nfs/dbraw/zinc/80/74/77/584807477.db2.gz JHKZCCAJYBOERI-RQJABVFESA-N 2 3 237.391 1.188 20 0 BDADHP N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000903843356 584807478 /nfs/dbraw/zinc/80/74/78/584807478.db2.gz JHKZCCAJYBOERI-RQJABVFESA-N 2 3 237.391 1.188 20 0 BDADHP C(CNC1CC1)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918619 584822248 /nfs/dbraw/zinc/82/22/48/584822248.db2.gz CUSXXHAJVLFKHP-QXMXGUDHSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@H](CC[NH3+])NCc1cccc2c1CC[NH2+]C2 ZINC000903919020 584823122 /nfs/dbraw/zinc/82/31/22/584823122.db2.gz KLEMLQBOBUGPCM-LLVKDONJSA-N 2 3 233.359 1.159 20 0 BDADHP [NH3+][C@@]12CCC[C@H]1CN(CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934016 584825345 /nfs/dbraw/zinc/82/53/45/584825345.db2.gz YWCVWBGVZOPFFJ-SCXOTVEISA-N 2 3 249.402 1.330 20 0 BDADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903917511 584826993 /nfs/dbraw/zinc/82/69/93/584826993.db2.gz MRRUIEKDENGWHE-JALIKCBVSA-N 2 3 249.402 1.202 20 0 BDADHP CC(C)C[C@H]([NH3+])CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978389 584833092 /nfs/dbraw/zinc/83/30/92/584833092.db2.gz NWMJOWMCCRYVBZ-UPJWGTAASA-N 2 3 227.396 1.277 20 0 BDADHP CCCN(C)C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325403 584865199 /nfs/dbraw/zinc/86/51/99/584865199.db2.gz YIIUDHTVBKULKM-MCIONIFRSA-N 2 3 239.407 1.387 20 0 BDADHP CCCN(C)C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325403 584865200 /nfs/dbraw/zinc/86/52/00/584865200.db2.gz YIIUDHTVBKULKM-MCIONIFRSA-N 2 3 239.407 1.387 20 0 BDADHP CCC[N@H+](C)C[C@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325403 584865201 /nfs/dbraw/zinc/86/52/01/584865201.db2.gz YIIUDHTVBKULKM-MCIONIFRSA-N 2 3 239.407 1.387 20 0 BDADHP CCC[N@@H+](C)C[C@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325403 584865202 /nfs/dbraw/zinc/86/52/02/584865202.db2.gz YIIUDHTVBKULKM-MCIONIFRSA-N 2 3 239.407 1.387 20 0 BDADHP [NH3+][C@H]1C[C@@H](C[NH2+]CCNC2CCCCCC2)C1 ZINC000904349653 584868727 /nfs/dbraw/zinc/86/87/27/584868727.db2.gz CFYXUIZFGQJDKK-BETUJISGSA-N 2 3 239.407 1.626 20 0 BDADHP C[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCNC1 ZINC000904354160 584870367 /nfs/dbraw/zinc/87/03/67/584870367.db2.gz BQWGAUMCYFPITL-NWDGAFQWSA-N 2 3 213.369 1.093 20 0 BDADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(CC[NH3+])cc1 ZINC000817948272 586846690 /nfs/dbraw/zinc/84/66/90/586846690.db2.gz IAQBQBUZAIGQRL-NWDGAFQWSA-N 2 3 235.375 1.403 20 0 BDADHP [NH3+]CCCCCC[NH2+][C@@H]1CCCNCC1 ZINC000843128128 588085069 /nfs/dbraw/zinc/08/50/69/588085069.db2.gz IAHOGLQUWYYHQN-GFCCVEGCSA-N 2 3 213.369 1.237 20 0 BDADHP C[C@@H](C[C@@H]1CCC[NH2+]1)NCCCCCC[NH3+] ZINC000843128431 588085142 /nfs/dbraw/zinc/08/51/42/588085142.db2.gz JHUCHZISHXIPPF-STQMWFEESA-N 2 3 227.396 1.626 20 0 BDADHP CCN(C)C[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846220870 588261182 /nfs/dbraw/zinc/26/11/82/588261182.db2.gz WWOIXXHTJAPBQS-AWEZNQCLSA-N 2 3 241.423 1.779 20 0 BDADHP CCN(C)C[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220870 588261183 /nfs/dbraw/zinc/26/11/83/588261183.db2.gz WWOIXXHTJAPBQS-AWEZNQCLSA-N 2 3 241.423 1.779 20 0 BDADHP CC[N@H+](C)C[C@@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220870 588261184 /nfs/dbraw/zinc/26/11/84/588261184.db2.gz WWOIXXHTJAPBQS-AWEZNQCLSA-N 2 3 241.423 1.779 20 0 BDADHP CC[N@@H+](C)C[C@@H]1CCN(CCCCCC[NH3+])C1 ZINC000846220870 588261185 /nfs/dbraw/zinc/26/11/85/588261185.db2.gz WWOIXXHTJAPBQS-AWEZNQCLSA-N 2 3 241.423 1.779 20 0 BDADHP C[C@H]1C[C@H](CN)C[N@@H+]1CCCCCC[NH3+] ZINC000846220502 588261295 /nfs/dbraw/zinc/26/12/95/588261295.db2.gz RLARHIFASYOUIX-NWDGAFQWSA-N 2 3 213.369 1.175 20 0 BDADHP C[C@@H]1C[C@@H]([NH3+])CCN1CCCCCC[NH3+] ZINC000846708850 588283687 /nfs/dbraw/zinc/28/36/87/588283687.db2.gz WJTOGKXSMYJXMM-NEPJUHHUSA-N 2 3 213.369 1.317 20 0 BDADHP C[C@@H]1C[C@@H](N)CC[N@@H+]1CCCCCC[NH3+] ZINC000846708850 588283688 /nfs/dbraw/zinc/28/36/88/588283688.db2.gz WJTOGKXSMYJXMM-NEPJUHHUSA-N 2 3 213.369 1.317 20 0 BDADHP C[C@@H]1C[C@@H](N)CC[N@H+]1CCCCCC[NH3+] ZINC000846708850 588283689 /nfs/dbraw/zinc/28/36/89/588283689.db2.gz WJTOGKXSMYJXMM-NEPJUHHUSA-N 2 3 213.369 1.317 20 0 BDADHP C[C@@H](CCCC[NH3+])NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873237892 590004596 /nfs/dbraw/zinc/00/45/96/590004596.db2.gz VGFLRORFNOOAOK-STQMWFEESA-N 2 3 241.423 1.872 20 0 BDADHP [NH3+][C@H]1C[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000873256257 590011091 /nfs/dbraw/zinc/01/10/91/590011091.db2.gz NEVDETIFTZAXLQ-TXFQPVFDSA-N 2 3 231.343 1.458 20 0 BDADHP C[C@H](NCCCCCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000843344398 643342929 /nfs/dbraw/zinc/34/29/29/643342929.db2.gz YYBXALKYEBPCJM-STQMWFEESA-N 2 3 227.396 1.626 20 0 BDADHP CN(CCCCCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000846219476 643648713 /nfs/dbraw/zinc/64/87/13/643648713.db2.gz BNLOUPDTWYZTDH-PBWFPOADSA-N 2 3 239.407 1.720 20 0 BDADHP C(C[N@@H+]1CC[C@@]2(C1)CCCCN2)[C@H]1CC[NH2+]C1 ZINC000923532281 644489831 /nfs/dbraw/zinc/48/98/31/644489831.db2.gz AHPBJRCXQFUAGP-ZIAGYGMSSA-N 2 3 237.391 1.204 20 0 BDADHP C(C[N@H+]1CC[C@@]2(C1)CCCCN2)[C@H]1CC[NH2+]C1 ZINC000923532281 644489835 /nfs/dbraw/zinc/48/98/35/644489835.db2.gz AHPBJRCXQFUAGP-ZIAGYGMSSA-N 2 3 237.391 1.204 20 0 BDADHP C[C@H]1C[NH2+]C[C@@H](NCCCCCC[NH3+])C1 ZINC000843129628 645266466 /nfs/dbraw/zinc/26/64/66/645266466.db2.gz QTZOXYBDHFIIGX-NEPJUHHUSA-N 2 3 213.369 1.093 20 0 BDADHP C[C@@H](NCC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000925798368 646487084 /nfs/dbraw/zinc/48/70/84/646487084.db2.gz WHQUBJLHBFAPHB-SYQHCUMBSA-N 2 3 239.407 1.352 20 0 BDADHP C[NH+]1CCC(CC[N@@H+]2CC[C@](C)(N)C2)CC1 ZINC001204762717 963367790 /nfs/dbraw/zinc/36/77/90/963367790.db2.gz BGNVKTYZZRWDIF-ZDUSSCGKSA-N 2 3 225.380 1.141 20 0 BDADHP C[NH+]1CCC(CC[N@H+]2CC[C@](C)(N)C2)CC1 ZINC001204762717 963367799 /nfs/dbraw/zinc/36/77/99/963367799.db2.gz BGNVKTYZZRWDIF-ZDUSSCGKSA-N 2 3 225.380 1.141 20 0 BDADHP [NH3+]C[C@@]1(F)CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC001205537916 980906764 /nfs/dbraw/zinc/90/67/64/980906764.db2.gz KPNXBFXHZOUXLF-CHWSQXEVSA-N 2 3 243.370 1.139 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C[C@H]2C)CCN1 ZINC001246100363 972154826 /nfs/dbraw/zinc/15/48/26/972154826.db2.gz XIRUNHLXYPCARY-AAVRWANBSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C[C@@H]2C)CCN1 ZINC001246100400 972155681 /nfs/dbraw/zinc/15/56/81/972155681.db2.gz XIRUNHLXYPCARY-REWJHTLYSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@H]1C[C@H]([NH2+]CCCCCCC[NH3+])CCN1 ZINC001246305718 972266963 /nfs/dbraw/zinc/26/69/63/972266963.db2.gz IXLNGSUNLCMCLP-QWHCGFSZSA-N 2 3 227.396 1.626 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246503895 972360440 /nfs/dbraw/zinc/36/04/40/972360440.db2.gz MRRDMKAQJPYEOZ-YPMHNXCESA-N 2 3 237.391 1.249 20 0 BDADHP [NH3+]CC1CC[NH+](Cc2ccc3c(c2)CNC3)CC1 ZINC001205052807 967310230 /nfs/dbraw/zinc/31/02/30/967310230.db2.gz GAXQGRNXTURCDW-UHFFFAOYSA-N 2 3 245.370 1.461 20 0 BDADHP C[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)C[C@H]1CN ZINC001205131403 967376023 /nfs/dbraw/zinc/37/60/23/967376023.db2.gz XWNNOCWWJHWHPM-GXTWGEPZSA-N 2 3 239.407 1.245 20 0 BDADHP C[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)C[C@H]1CN ZINC001205131403 967376029 /nfs/dbraw/zinc/37/60/29/967376029.db2.gz XWNNOCWWJHWHPM-GXTWGEPZSA-N 2 3 239.407 1.245 20 0 BDADHP C[C@H]1CC[N@H+](CC2(C)CC[NH2+]CC2)C[C@H]1CN ZINC001205296174 967495983 /nfs/dbraw/zinc/49/59/83/967495983.db2.gz IIFZAYAWHVMGAL-QWHCGFSZSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@H]1CC[N@@H+](CC2(C)CC[NH2+]CC2)C[C@H]1CN ZINC001205296174 967496001 /nfs/dbraw/zinc/49/60/01/967496001.db2.gz IIFZAYAWHVMGAL-QWHCGFSZSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@H]1[C@@H](CN)CCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903034 967880672 /nfs/dbraw/zinc/88/06/72/967880672.db2.gz NDRCOINVFWPWEK-QWHCGFSZSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]1[C@@H](CN)CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903034 967880673 /nfs/dbraw/zinc/88/06/73/967880673.db2.gz NDRCOINVFWPWEK-QWHCGFSZSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]1C[NH2+]CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC001206257285 968175157 /nfs/dbraw/zinc/17/51/57/968175157.db2.gz AFAZDCHLGAENHZ-STQMWFEESA-N 2 3 225.380 1.060 20 0 BDADHP C[C@H]1C[NH2+]CCCN1CCC1CC[NH2+]CC1 ZINC001206257387 968176013 /nfs/dbraw/zinc/17/60/13/968176013.db2.gz CGQOTHJZURIJAH-LBPRGKRZSA-N 2 3 225.380 1.060 20 0 BDADHP [NH3+]CCCC[N@@H+]1CCCC[C@]12CCCNC2 ZINC001235169679 978987418 /nfs/dbraw/zinc/98/74/18/978987418.db2.gz CAUAVWSVEDQCSE-CYBMUJFWSA-N 2 3 225.380 1.333 20 0 BDADHP [NH3+]CCCC[N@H+]1CCCC[C@]12CCCNC2 ZINC001235169679 978987424 /nfs/dbraw/zinc/98/74/24/978987424.db2.gz CAUAVWSVEDQCSE-CYBMUJFWSA-N 2 3 225.380 1.333 20 0 BDADHP CC1(C)CNC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC001356049439 983564584 /nfs/dbraw/zinc/56/45/84/983564584.db2.gz IPYZEAWSCAPGCN-HTAVTVPLSA-N 2 3 225.380 1.092 20 0 BDADHP CCN(CC)CC[C@H](C)[NH2+]C1CC2(C[NH2+]C2)C1 ZINC001577687597 984639245 /nfs/dbraw/zinc/63/92/45/984639245.db2.gz LVWNWRKCUGTMSN-LBPRGKRZSA-N 2 3 239.407 1.448 20 0 BDADHP C[NH+]1CCC2(CCN(CCC[NH3+])CC2)CC1 ZINC000691929282 984960008 /nfs/dbraw/zinc/96/00/08/984960008.db2.gz KMTMUSIUDLCSAY-UHFFFAOYSA-N 2 3 225.380 1.143 20 0 BDADHP CN1C[C@@H]2CC[C@H]([NH2+]C3CC(CC[NH3+])C3)[C@@H]2C1 ZINC001578520896 985145595 /nfs/dbraw/zinc/14/55/95/985145595.db2.gz IUETXAKSZHUIJN-XTNFGFQESA-N 2 3 237.391 1.044 20 0 BDADHP N[C@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001580423214 986842428 /nfs/dbraw/zinc/84/24/28/986842428.db2.gz UXXFTVIYVAQDNB-BJHJDKERSA-N 2 3 246.358 1.130 20 0 BDADHP C1C[C@]2(C[NH2+]1)CCC[C@H]([NH2+]C1CCNCC1)C2 ZINC001246082080 987377049 /nfs/dbraw/zinc/37/70/49/987377049.db2.gz VWUPPSXLDGSTKL-UONOGXRCSA-N 2 3 237.391 1.250 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246093856 987401500 /nfs/dbraw/zinc/40/15/00/987401500.db2.gz LFZPYVVNLOGEGO-HZSPNIEDSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@H]1CC[C@H](NCCCCCC[NH3+])C[NH2+]1 ZINC001246165244 987519829 /nfs/dbraw/zinc/51/98/29/987519829.db2.gz QDHGUJCAMSOEOB-RYUDHWBXSA-N 2 3 213.369 1.236 20 0 BDADHP [NH3+][C@H]1CC[C@@H](CC[NH2+]C2CCNCC2)CC1 ZINC001246202476 987599316 /nfs/dbraw/zinc/59/93/16/987599316.db2.gz OXRXOGUQLKSJNY-TXEJJXNPSA-N 2 3 225.380 1.236 20 0 BDADHP C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCCC[NH2+]C1 ZINC001246229486 987626210 /nfs/dbraw/zinc/62/62/10/987626210.db2.gz JVVNRDNNHSNANO-OLZOCXBDSA-N 2 3 225.380 1.108 20 0 BDADHP C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCC[NH2+]C1 ZINC001246229491 987627371 /nfs/dbraw/zinc/62/73/71/987627371.db2.gz JVVNRDNNHSNANO-QWHCGFSZSA-N 2 3 225.380 1.108 20 0 BDADHP CCC[NH2+]CCN[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246269829 987667334 /nfs/dbraw/zinc/66/73/34/987667334.db2.gz LLJFTNVBBTWYOM-UONOGXRCSA-N 2 3 239.407 1.498 20 0 BDADHP C[C@@H]1CC[C@H](NCCCCCCC[NH3+])C[NH2+]1 ZINC001246303779 987700400 /nfs/dbraw/zinc/70/04/00/987700400.db2.gz AOQGWRNFWLYSFI-OLZOCXBDSA-N 2 3 227.396 1.626 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)CCN1 ZINC001246332580 987737260 /nfs/dbraw/zinc/73/72/60/987737260.db2.gz FRJQVWFFDDOZLU-ABXWRUBCSA-N 2 3 239.407 1.624 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C2CCC(CC[NH3+])CC2)CCN1 ZINC001246332581 987739458 /nfs/dbraw/zinc/73/94/58/987739458.db2.gz FRJQVWFFDDOZLU-BLYZHGLHSA-N 2 3 239.407 1.624 20 0 BDADHP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CCN1 ZINC001246366436 987771828 /nfs/dbraw/zinc/77/18/28/987771828.db2.gz IXQHHNKHHIOLSG-XUXIUFHCSA-N 2 3 239.407 1.589 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CCN1 ZINC001246452874 987808711 /nfs/dbraw/zinc/80/87/11/987808711.db2.gz YBUIGDWUQATLNL-CRWXNKLISA-N 2 3 239.407 1.482 20 0 BDADHP [NH3+]C[C@@H]1CCC[C@H](CN[C@H]2CCCC[NH2+]C2)C1 ZINC001246450426 987810794 /nfs/dbraw/zinc/81/07/94/987810794.db2.gz QWDRIOMWAWBWCP-RDBSUJKOSA-N 2 3 239.407 1.483 20 0 BDADHP CN[C@H]1C[C@H]([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246460503 987820353 /nfs/dbraw/zinc/82/03/53/987820353.db2.gz JHFGTWPZAPNJEN-JHJVBQTASA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246564979 988013764 /nfs/dbraw/zinc/01/37/64/988013764.db2.gz ZDMFORNRHUWJSW-YIYPIFLZSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246564979 988013779 /nfs/dbraw/zinc/01/37/79/988013779.db2.gz ZDMFORNRHUWJSW-YIYPIFLZSA-N 2 3 239.407 1.434 20 0 BDADHP C[NH2+]C1CCC([N@@H+]2CCC[C@H](CN)[C@@H]2C)CC1 ZINC001246564411 988015625 /nfs/dbraw/zinc/01/56/25/988015625.db2.gz NQFMRBMTKZWOAR-MRFVTOPCSA-N 2 3 239.407 1.576 20 0 BDADHP C[NH2+]C1CCC([N@H+]2CCC[C@H](CN)[C@@H]2C)CC1 ZINC001246564411 988015640 /nfs/dbraw/zinc/01/56/40/988015640.db2.gz NQFMRBMTKZWOAR-MRFVTOPCSA-N 2 3 239.407 1.576 20 0 BDADHP C[C@H]1C[C@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246579270 988104480 /nfs/dbraw/zinc/10/44/80/988104480.db2.gz UAQNBBQHRXTQQA-BFHYXJOUSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@H]1C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246579270 988104491 /nfs/dbraw/zinc/10/44/91/988104491.db2.gz UAQNBBQHRXTQQA-BFHYXJOUSA-N 2 3 239.407 1.578 20 0 BDADHP C[NH2+]CC1CC[NH+]([C@H]2CCN[C@H](C)C2)CC1 ZINC001246783135 988462969 /nfs/dbraw/zinc/46/29/69/988462969.db2.gz WLPBFYVQPUMGPI-YPMHNXCESA-N 2 3 225.380 1.058 20 0 BDADHP C[C@H]1C[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CCN1 ZINC001246808762 988492392 /nfs/dbraw/zinc/49/23/92/988492392.db2.gz PCBCDGGCJRBERP-IEECTRCBSA-N 2 3 223.364 1.081 20 0 BDADHP C[C@H]1C[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CCN1 ZINC001246808762 988492398 /nfs/dbraw/zinc/49/23/98/988492398.db2.gz PCBCDGGCJRBERP-IEECTRCBSA-N 2 3 223.364 1.081 20 0 BDADHP CC[NH+](CC)CCC[C@H](C)N1CCC[C@@H]1C[NH3+] ZINC001246906820 988680504 /nfs/dbraw/zinc/68/05/04/988680504.db2.gz BANGSNQCKCSGQS-UONOGXRCSA-N 2 3 241.423 1.920 20 0 BDADHP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246929882 988746193 /nfs/dbraw/zinc/74/61/93/988746193.db2.gz IHYAETYTUINMQG-FQUUOJAGSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCN1 ZINC001246929882 988746215 /nfs/dbraw/zinc/74/62/15/988746215.db2.gz IHYAETYTUINMQG-FQUUOJAGSA-N 2 3 237.391 1.058 20 0 BDADHP CC[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000635006892 345211387 /nfs/dbraw/zinc/21/13/87/345211387.db2.gz UIIUXWQEFJJXLK-SYQHCUMBSA-N 2 3 239.407 1.624 20 0 BDADHP CC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCN1 ZINC000635006892 345211389 /nfs/dbraw/zinc/21/13/89/345211389.db2.gz UIIUXWQEFJJXLK-SYQHCUMBSA-N 2 3 239.407 1.624 20 0 BDADHP C[N@H+](CCCC[NH2+][C@H]1CCC[C@H](N)C1)C1CC1 ZINC000577231802 365893331 /nfs/dbraw/zinc/89/33/31/365893331.db2.gz RCVBLLSWSCTAOV-STQMWFEESA-N 2 3 239.407 1.720 20 0 BDADHP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@H](N)C1)C1CC1 ZINC000577231802 365893338 /nfs/dbraw/zinc/89/33/38/365893338.db2.gz RCVBLLSWSCTAOV-STQMWFEESA-N 2 3 239.407 1.720 20 0 BDADHP CC(C)[N@H+](C)CC1CCN(CCC[NH3+])CC1 ZINC000521406075 259408563 /nfs/dbraw/zinc/40/85/63/259408563.db2.gz FIWQPAJYZSNSSO-UHFFFAOYSA-N 2 3 227.396 1.387 20 0 BDADHP CC(C)[N@@H+](C)CC1CCN(CCC[NH3+])CC1 ZINC000521406075 259408565 /nfs/dbraw/zinc/40/85/65/259408565.db2.gz FIWQPAJYZSNSSO-UHFFFAOYSA-N 2 3 227.396 1.387 20 0 BDADHP CC(C)(N)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000334693364 354483502 /nfs/dbraw/zinc/48/35/02/354483502.db2.gz ZPEPNAHWRXYPMK-LBPRGKRZSA-N 2 3 225.380 1.045 20 0 BDADHP C[NH2+]C[C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420269525 192196121 /nfs/dbraw/zinc/19/61/21/192196121.db2.gz IEYUSOPZVGQAKX-KGLIPLIRSA-N 2 3 239.407 1.308 20 0 BDADHP CCN(C)C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420324883 192230048 /nfs/dbraw/zinc/23/00/48/192230048.db2.gz VPDJHLRXZHCAOU-KGLIPLIRSA-N 2 3 239.407 1.260 20 0 BDADHP CCN(C)C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420324883 192230050 /nfs/dbraw/zinc/23/00/50/192230050.db2.gz VPDJHLRXZHCAOU-KGLIPLIRSA-N 2 3 239.407 1.260 20 0 BDADHP CC[N@H+](C)C[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420324883 192230051 /nfs/dbraw/zinc/23/00/51/192230051.db2.gz VPDJHLRXZHCAOU-KGLIPLIRSA-N 2 3 239.407 1.260 20 0 BDADHP CC[N@@H+](C)C[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420324883 192230053 /nfs/dbraw/zinc/23/00/53/192230053.db2.gz VPDJHLRXZHCAOU-KGLIPLIRSA-N 2 3 239.407 1.260 20 0 BDADHP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCNC12CCC2 ZINC000629512529 361107038 /nfs/dbraw/zinc/10/70/38/361107038.db2.gz CRHBWPWWLQCXIE-RYUDHWBXSA-N 2 3 225.380 1.378 20 0 BDADHP CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000629526249 361128039 /nfs/dbraw/zinc/12/80/39/361128039.db2.gz OAWPEPPYADSOLP-FPMFFAJLSA-N 2 3 239.407 1.447 20 0 BDADHP C(C[N@@H+]1CC[C@]2(C1)CCCNC2)[C@H]1CC[NH2+]C1 ZINC000335007730 541419457 /nfs/dbraw/zinc/41/94/57/541419457.db2.gz IQOXLROMUQNURM-ZIAGYGMSSA-N 2 3 237.391 1.062 20 0 BDADHP C(C[N@H+]1CC[C@]2(C1)CCCNC2)[C@H]1CC[NH2+]C1 ZINC000335007730 541419462 /nfs/dbraw/zinc/41/94/62/541419462.db2.gz IQOXLROMUQNURM-ZIAGYGMSSA-N 2 3 237.391 1.062 20 0 BDADHP [NH3+]CC[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000442928012 193004839 /nfs/dbraw/zinc/00/48/39/193004839.db2.gz PAWYIXSTWLJVJQ-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000442928012 193004842 /nfs/dbraw/zinc/00/48/42/193004842.db2.gz PAWYIXSTWLJVJQ-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000442928012 193004845 /nfs/dbraw/zinc/00/48/45/193004845.db2.gz PAWYIXSTWLJVJQ-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP C[NH2+]CC1CC[NH+](C[C@@H](N)CC(C)C)CC1 ZINC000414663669 386110211 /nfs/dbraw/zinc/11/02/11/386110211.db2.gz BQIGHBNQAIERCT-ZDUSSCGKSA-N 2 3 227.396 1.291 20 0 BDADHP CC(C)C[C@H](N)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000414665784 386114481 /nfs/dbraw/zinc/11/44/81/386114481.db2.gz FSXVTXWWVQQYBO-AAEUAGOBSA-N 2 3 227.396 1.419 20 0 BDADHP C[NH2+]CCC1CCN(CC2(C[NH3+])CC2)CC1 ZINC000414667318 386120580 /nfs/dbraw/zinc/12/05/80/386120580.db2.gz YGSCNFLLYDQYKN-UHFFFAOYSA-N 2 3 225.380 1.047 20 0 BDADHP C[NH2+]C[C@@H]1CCCN(C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414651753 386073252 /nfs/dbraw/zinc/07/32/52/386073252.db2.gz GDBKRLJNFOJCQL-MJBXVCDLSA-N 2 3 239.407 1.306 20 0 BDADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCNC1 ZINC000414995225 386174527 /nfs/dbraw/zinc/17/45/27/386174527.db2.gz NJBINNPYRYGGJW-BFKVFCTQSA-N 2 3 237.391 1.092 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCCNCC2)CC[NH2+]1 ZINC000414753674 386388611 /nfs/dbraw/zinc/38/86/11/386388611.db2.gz QPLUXLMVDWURAZ-MGPQQGTHSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCCNCC2)CC[NH2+]1 ZINC000414753674 386388612 /nfs/dbraw/zinc/38/86/12/386388612.db2.gz QPLUXLMVDWURAZ-MGPQQGTHSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@H](C[C@@H]1CCC[NH2+]1)NCC[C@@H]1CC[NH2+]C1 ZINC000414843941 386765846 /nfs/dbraw/zinc/76/58/46/386765846.db2.gz DALWGSVMGQWHOF-AGIUHOORSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000333883492 387068789 /nfs/dbraw/zinc/06/87/89/387068789.db2.gz WRMJQEVCFCZWLT-UMSGYPCISA-N 2 3 225.380 1.234 20 0 BDADHP CC[C@H](NCCCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000423330012 387173570 /nfs/dbraw/zinc/17/35/70/387173570.db2.gz PJPXOCRSQJRROR-RYUDHWBXSA-N 2 3 213.369 1.236 20 0 BDADHP C[C@H](CCC[NH3+])N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423461828 387310459 /nfs/dbraw/zinc/31/04/59/387310459.db2.gz TWTHMFNFURVEFS-HONMWMINSA-N 2 3 233.359 1.848 20 0 BDADHP C[C@@H](N[C@@H](C)CCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000423450052 387299941 /nfs/dbraw/zinc/29/99/41/387299941.db2.gz HCIYYMJDEQVWHE-TUAOUCFPSA-N 2 3 213.369 1.234 20 0 BDADHP C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000423545693 387371208 /nfs/dbraw/zinc/37/12/08/387371208.db2.gz JWOHOCNZLLZDIM-VJTDZRGJSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCN1 ZINC000423545693 387371211 /nfs/dbraw/zinc/37/12/11/387371211.db2.gz JWOHOCNZLLZDIM-VJTDZRGJSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+]CCCNC1CC1 ZINC000423561834 387377202 /nfs/dbraw/zinc/37/72/02/387377202.db2.gz QFHFMLCOHIZJON-LLVKDONJSA-N 2 3 213.369 1.236 20 0 BDADHP CC[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423476298 387321531 /nfs/dbraw/zinc/32/15/31/387321531.db2.gz RCLJORYUTZVLTG-CRWXNKLISA-N 2 3 239.407 1.624 20 0 BDADHP CC[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCN1 ZINC000423476298 387321534 /nfs/dbraw/zinc/32/15/34/387321534.db2.gz RCLJORYUTZVLTG-CRWXNKLISA-N 2 3 239.407 1.624 20 0 BDADHP NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423495398 387339076 /nfs/dbraw/zinc/33/90/76/387339076.db2.gz FBQSFUPUOPQZPF-NDBYEHHHSA-N 2 3 225.380 1.221 20 0 BDADHP CCC[NH+]1CCC(C[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000422734078 387640303 /nfs/dbraw/zinc/64/03/03/387640303.db2.gz CGCMSJMMYMUREW-OLZOCXBDSA-N 2 3 241.423 1.824 20 0 BDADHP CCO[C@H](CC[NH+](C)C)CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422863374 387747417 /nfs/dbraw/zinc/74/74/17/387747417.db2.gz LJPRHXXUGZATLS-FRRDWIJNSA-N 2 3 245.411 1.059 20 0 BDADHP CC[NH2+][C@H](C)CN[C@@H](C)C1CC[NH+](C)CC1 ZINC000643529604 387778028 /nfs/dbraw/zinc/77/80/28/387778028.db2.gz FZMXARORPUMSGH-NEPJUHHUSA-N 2 3 227.396 1.304 20 0 BDADHP CCCN1CC[C@@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422977311 387789839 /nfs/dbraw/zinc/78/98/39/387789839.db2.gz WQFYUERHUQCIQZ-OLZOCXBDSA-N 2 3 227.396 1.435 20 0 BDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423283586 388064850 /nfs/dbraw/zinc/06/48/50/388064850.db2.gz XLYHTBDGYYEJKO-HZSPNIEDSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423284247 388067953 /nfs/dbraw/zinc/06/79/53/388067953.db2.gz WTVBCWRFRZDVIV-IJLUTSLNSA-N 2 3 213.369 1.221 20 0 BDADHP C[C@@H]1C[C@H]([NH3+])CCN1CCC1CC[NH2+]CC1 ZINC000516580279 388355862 /nfs/dbraw/zinc/35/58/62/388355862.db2.gz FNOBWWPJRWKRQF-DGCLKSJQSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@H](N)CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000516580279 388355863 /nfs/dbraw/zinc/35/58/63/388355863.db2.gz FNOBWWPJRWKRQF-DGCLKSJQSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@H](N)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000516580279 388355866 /nfs/dbraw/zinc/35/58/66/388355866.db2.gz FNOBWWPJRWKRQF-DGCLKSJQSA-N 2 3 225.380 1.188 20 0 BDADHP [NH3+][C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCCNC2)C1 ZINC000564971285 388904301 /nfs/dbraw/zinc/90/43/01/388904301.db2.gz UMWGVPBIDYGDCH-YNEHKIRRSA-N 2 3 225.380 1.093 20 0 BDADHP N[C@H]1CCC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000334848777 487573933 /nfs/dbraw/zinc/57/39/33/487573933.db2.gz SFOYYGKWOBLZQC-PYNQCMFNSA-N 2 3 225.380 1.363 20 0 BDADHP NC[C@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762221 410412223 /nfs/dbraw/zinc/41/22/23/410412223.db2.gz XJKQLFARIPRQSB-CHWSQXEVSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CC[NH+](C)CC1 ZINC000396440748 410882934 /nfs/dbraw/zinc/88/29/34/410882934.db2.gz LECIOBSYTKGEGB-IACUBPJLSA-N 2 3 239.407 1.576 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000656200354 411204440 /nfs/dbraw/zinc/20/44/40/411204440.db2.gz KEDJADBFEVIGRR-CHWSQXEVSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1CCN ZINC000652355682 411215576 /nfs/dbraw/zinc/21/55/76/411215576.db2.gz DHYHTRZUMXGEFS-MGPQQGTHSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1CCN ZINC000652355682 411215580 /nfs/dbraw/zinc/21/55/80/411215580.db2.gz DHYHTRZUMXGEFS-MGPQQGTHSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H](CC[NH3+])NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656787124 411365976 /nfs/dbraw/zinc/36/59/76/411365976.db2.gz UOLMUNZNEZQMKH-NSHDSACASA-N 2 3 233.359 1.159 20 0 BDADHP C[NH2+]C[C@@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000359224018 173368311 /nfs/dbraw/zinc/36/83/11/173368311.db2.gz SOFIINONFGLXLC-AWEZNQCLSA-N 2 3 239.407 1.308 20 0 BDADHP C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359220990 176367368 /nfs/dbraw/zinc/36/73/68/176367368.db2.gz OEVUBBWCCYRVKM-YPMHNXCESA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@@H](CN)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359220990 176367370 /nfs/dbraw/zinc/36/73/70/176367370.db2.gz OEVUBBWCCYRVKM-YPMHNXCESA-N 2 3 225.380 1.045 20 0 BDADHP CC(C)CC[NH+]1CCC(C[NH2+]CCCN)CC1 ZINC000415082064 487835781 /nfs/dbraw/zinc/83/57/81/487835781.db2.gz LQRZFRMFQUMNBZ-UHFFFAOYSA-N 2 3 241.423 1.683 20 0 BDADHP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CC12CC[NH2+]CC2 ZINC000666955472 487917019 /nfs/dbraw/zinc/91/70/19/487917019.db2.gz NPLONZCISCHOMM-AGIUHOORSA-N 2 3 237.391 1.249 20 0 BDADHP N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000570802246 323070809 /nfs/dbraw/zinc/07/08/09/323070809.db2.gz BKVQMOAXQBZUOM-HUUCEWRRSA-N 2 3 247.386 1.895 20 0 BDADHP CC[NH2+]CC1CC[NH+](C[C@@H](N)CC(C)C)CC1 ZINC000414658826 323151073 /nfs/dbraw/zinc/15/10/73/323151073.db2.gz KBADKYFLDBRZBC-AWEZNQCLSA-N 2 3 241.423 1.681 20 0 BDADHP CC(C)NCCC[NH2+][C@H](C)CCC[NH3+] ZINC000566849758 326087199 /nfs/dbraw/zinc/08/71/99/326087199.db2.gz CIMRDUCYSQTJRE-LLVKDONJSA-N 2 3 201.358 1.092 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000573020540 326425040 /nfs/dbraw/zinc/42/50/40/326425040.db2.gz OFFZUXIVALZQDV-JHJVBQTASA-N 2 3 225.380 1.236 20 0 BDADHP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902486954 584625896 /nfs/dbraw/zinc/62/58/96/584625896.db2.gz HYCHZFHYRJIMTJ-NMFUWQPSSA-N 2 3 247.386 1.272 20 0 BDADHP [NH3+]C[C@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000902488940 584627371 /nfs/dbraw/zinc/62/73/71/584627371.db2.gz OTGNKSWGZGCCFL-QSLWVIQJSA-N 2 3 237.391 1.234 20 0 BDADHP C[NH2+]C[C@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903420542 584763847 /nfs/dbraw/zinc/76/38/47/584763847.db2.gz BTTLEPUYGIBDIJ-UPJWGTAASA-N 2 3 225.380 1.045 20 0 BDADHP [NH3+]CCCCCCN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903861429 584812140 /nfs/dbraw/zinc/81/21/40/584812140.db2.gz WWOTYSPEAKZDJG-OLZOCXBDSA-N 2 3 225.380 1.319 20 0 BDADHP N[C@H]1CCC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918762 584823413 /nfs/dbraw/zinc/82/34/13/584823413.db2.gz HEUSOYQSSNRJDB-YEKKKDRXSA-N 2 3 237.391 1.377 20 0 BDADHP CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325404 584865235 /nfs/dbraw/zinc/86/52/35/584865235.db2.gz YIIUDHTVBKULKM-MELADBBJSA-N 2 3 239.407 1.387 20 0 BDADHP CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325404 584865236 /nfs/dbraw/zinc/86/52/36/584865236.db2.gz YIIUDHTVBKULKM-MELADBBJSA-N 2 3 239.407 1.387 20 0 BDADHP CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325404 584865237 /nfs/dbraw/zinc/86/52/37/584865237.db2.gz YIIUDHTVBKULKM-MELADBBJSA-N 2 3 239.407 1.387 20 0 BDADHP CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325404 584865238 /nfs/dbraw/zinc/86/52/38/584865238.db2.gz YIIUDHTVBKULKM-MELADBBJSA-N 2 3 239.407 1.387 20 0 BDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817948273 586847064 /nfs/dbraw/zinc/84/70/64/586847064.db2.gz IAQBQBUZAIGQRL-RYUDHWBXSA-N 2 3 235.375 1.403 20 0 BDADHP N[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843345360 588102197 /nfs/dbraw/zinc/10/21/97/588102197.db2.gz CLLATUSVTPGHTH-LBPRGKRZSA-N 2 3 213.369 1.319 20 0 BDADHP N[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843345360 588102198 /nfs/dbraw/zinc/10/21/98/588102198.db2.gz CLLATUSVTPGHTH-LBPRGKRZSA-N 2 3 213.369 1.319 20 0 BDADHP C[NH2+]C[C@@H]1CCN(CCCCCCC[NH3+])C1 ZINC000843349267 588102552 /nfs/dbraw/zinc/10/25/52/588102552.db2.gz QBRXOKBRJRSHTL-ZDUSSCGKSA-N 2 3 227.396 1.437 20 0 BDADHP [NH3+]CCCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000846220345 588261026 /nfs/dbraw/zinc/26/10/26/588261026.db2.gz GOCVQCWPAMRASI-CQSZACIVSA-N 2 3 239.407 1.581 20 0 BDADHP CC1(C)CNCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000846220587 588261163 /nfs/dbraw/zinc/26/11/63/588261163.db2.gz LWLMJFHOOJKZDM-LBPRGKRZSA-N 2 3 227.396 1.483 20 0 BDADHP C[C@H]1CC[N@H+](CCCCCC[NH3+])C[C@H]1CN ZINC000846223065 588261645 /nfs/dbraw/zinc/26/16/45/588261645.db2.gz GMGQTPGXVTVPIE-QWHCGFSZSA-N 2 3 227.396 1.422 20 0 BDADHP C[C@H]1CC[N@@H+](CCCCCC[NH3+])C[C@H]1CN ZINC000846223065 588261646 /nfs/dbraw/zinc/26/16/46/588261646.db2.gz GMGQTPGXVTVPIE-QWHCGFSZSA-N 2 3 227.396 1.422 20 0 BDADHP C[C@H]1CCN(CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000846223065 588261647 /nfs/dbraw/zinc/26/16/47/588261647.db2.gz GMGQTPGXVTVPIE-QWHCGFSZSA-N 2 3 227.396 1.422 20 0 BDADHP CC(C)[C@@H](CN)C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221036 589998545 /nfs/dbraw/zinc/99/85/45/589998545.db2.gz XZBJKNUGBYAABC-YPMHNXCESA-N 2 3 227.396 1.195 20 0 BDADHP CN(CCCCCC[NH3+])C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000873231464 590002735 /nfs/dbraw/zinc/00/27/35/590002735.db2.gz KCCAVNNGJJGOIW-OLZOCXBDSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@H](CCCC[NH3+])NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873237890 590004494 /nfs/dbraw/zinc/00/44/94/590004494.db2.gz VGFLRORFNOOAOK-OLZOCXBDSA-N 2 3 241.423 1.872 20 0 BDADHP C[C@@H](CCCC[NH3+])NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873237891 590004831 /nfs/dbraw/zinc/00/48/31/590004831.db2.gz VGFLRORFNOOAOK-QWHCGFSZSA-N 2 3 241.423 1.872 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000925794395 635326071 /nfs/dbraw/zinc/32/60/71/635326071.db2.gz LLUPKDKEHUVZHP-AAVRWANBSA-N 2 3 239.407 1.339 20 0 BDADHP C[C@@H]([NH3+])CCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925693078 634326826 /nfs/dbraw/zinc/32/68/26/634326826.db2.gz ODPAGDOIEBDSGX-OCCSQVGLSA-N 2 3 235.375 1.794 20 0 BDADHP C[C@@H]([NH3+])CCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925693079 634327471 /nfs/dbraw/zinc/32/74/71/634327471.db2.gz ODPAGDOIEBDSGX-TZMCWYRMSA-N 2 3 235.375 1.794 20 0 BDADHP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000226345720 640750825 /nfs/dbraw/zinc/75/08/25/640750825.db2.gz IIQOERZJFYBNLD-CHWSQXEVSA-N 2 3 239.407 1.435 20 0 BDADHP C[NH2+]CCCN(C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923376829 644391247 /nfs/dbraw/zinc/39/12/47/644391247.db2.gz BBAXFUVBUYAVQP-AGUYFDCRSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1[NH2+]CCC[C@@H]1NCCC[C@@H]1CCC[NH2+]1 ZINC000925706670 646430359 /nfs/dbraw/zinc/43/03/59/646430359.db2.gz KGQLQIADNDXELL-AVGNSLFASA-N 2 3 225.380 1.249 20 0 BDADHP C[C@@H]1[NH2+]CCC[C@H]1NCCC[C@@H]1CCC[NH2+]1 ZINC000925706672 646431477 /nfs/dbraw/zinc/43/14/77/646431477.db2.gz KGQLQIADNDXELL-RWMBFGLXSA-N 2 3 225.380 1.249 20 0 BDADHP CC[C@H](NC[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000925880087 646529793 /nfs/dbraw/zinc/52/97/93/646529793.db2.gz NPYUOFVKTRHVAB-VOAKCMCISA-N 2 3 225.380 1.234 20 0 BDADHP CC(C)C[N@H+](CCCN)CC1CC[NH+](C)CC1 ZINC000709470491 712222391 /nfs/dbraw/zinc/22/23/91/712222391.db2.gz MZFRPHGNUYEXTJ-UHFFFAOYSA-N 2 3 241.423 1.635 20 0 BDADHP CC(C)C[N@@H+](CCCN)CC1CC[NH+](C)CC1 ZINC000709470491 712222394 /nfs/dbraw/zinc/22/23/94/712222394.db2.gz MZFRPHGNUYEXTJ-UHFFFAOYSA-N 2 3 241.423 1.635 20 0 BDADHP CC[C@H](N)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234500 979001641 /nfs/dbraw/zinc/00/16/41/979001641.db2.gz YWTZWPAPNPPJLH-UONOGXRCSA-N 2 3 239.407 1.578 20 0 BDADHP C1CC2(C[C@@H]1[NH2+]C1CCNCC1)CC[NH2+]CC2 ZINC001246081854 972137144 /nfs/dbraw/zinc/13/71/44/972137144.db2.gz UMWKKPXVLNIWFP-CYBMUJFWSA-N 2 3 237.391 1.250 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CCN1 ZINC001246112402 972178032 /nfs/dbraw/zinc/17/80/32/972178032.db2.gz SFLFPXDBOMHRCL-YPMHNXCESA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1CC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C[C@@H](C)N1 ZINC001246478708 972350331 /nfs/dbraw/zinc/35/03/31/972350331.db2.gz XULZOCALWJGMAN-DCQANWLSSA-N 2 3 243.370 1.053 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CCN1 ZINC000715568701 967181803 /nfs/dbraw/zinc/18/18/03/967181803.db2.gz IXQHHNKHHIOLSG-NELGMTEASA-N 2 3 239.407 1.589 20 0 BDADHP C[C@@H]1[C@@H](CN)CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205903498 967879703 /nfs/dbraw/zinc/87/97/03/967879703.db2.gz PRTJJPDRACVHGJ-MGPQQGTHSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1[C@@H](CN)CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205903498 967879705 /nfs/dbraw/zinc/87/97/05/967879705.db2.gz PRTJJPDRACVHGJ-MGPQQGTHSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1[C@@H](C[NH3+])CCCN1CC[C@H]1CCC[NH2+]C1 ZINC001205903498 967879708 /nfs/dbraw/zinc/87/97/08/967879708.db2.gz PRTJJPDRACVHGJ-MGPQQGTHSA-N 2 3 239.407 1.435 20 0 BDADHP NC[C@@H]1CCCC[N@H+](CCCCC[NH3+])C1 ZINC001206606044 968416694 /nfs/dbraw/zinc/41/66/94/968416694.db2.gz BJWJVDRGWRSRLC-LBPRGKRZSA-N 2 3 213.369 1.176 20 0 BDADHP NC[C@@H]1CCCC[N@@H+](CCCCC[NH3+])C1 ZINC001206606044 968416700 /nfs/dbraw/zinc/41/67/00/968416700.db2.gz BJWJVDRGWRSRLC-LBPRGKRZSA-N 2 3 213.369 1.176 20 0 BDADHP [NH3+][C@@]12CCC[C@@H]1CN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235241025 979004306 /nfs/dbraw/zinc/00/43/06/979004306.db2.gz PNJUQRKJEWUDRJ-BFHYXJOUSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@@]1([NH3+])CCCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC001205273195 979832454 /nfs/dbraw/zinc/83/24/54/979832454.db2.gz HJLPRFMZVCXABT-OAHLLOKOSA-N 2 3 247.386 1.849 20 0 BDADHP C[C@H]1CC[C@@H](CN)[N@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001205842933 982748592 /nfs/dbraw/zinc/74/85/92/982748592.db2.gz PYDJZYVCCLWSPM-WFASDCNBSA-N 2 3 247.386 1.705 20 0 BDADHP C[C@H]1CC[C@@H](CN)[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001205842933 982748605 /nfs/dbraw/zinc/74/86/05/982748605.db2.gz PYDJZYVCCLWSPM-WFASDCNBSA-N 2 3 247.386 1.705 20 0 BDADHP NC[C@@H]1CCCC[N@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001206606462 985925056 /nfs/dbraw/zinc/92/50/56/985925056.db2.gz NUUCLNBWFJTBNH-HSBZDZAISA-N 2 3 237.391 1.319 20 0 BDADHP NC[C@@H]1CCCC[N@@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001206606462 985925067 /nfs/dbraw/zinc/92/50/67/985925067.db2.gz NUUCLNBWFJTBNH-HSBZDZAISA-N 2 3 237.391 1.319 20 0 BDADHP CCN1CCC([NH2+]C[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246098974 987413603 /nfs/dbraw/zinc/41/36/03/987413603.db2.gz QSHYTQBWPDFXLD-CHWSQXEVSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@H]1CC[C@@H](NCCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105426 987434352 /nfs/dbraw/zinc/43/43/52/987434352.db2.gz MMJQFBFHVIJOCJ-GXTWGEPZSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CC[NH2+]CC3)CCN1 ZINC001246136941 987493226 /nfs/dbraw/zinc/49/32/26/987493226.db2.gz GVGALDKDXQXNCU-UPJWGTAASA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CC[NH2+]CC3)CCN1 ZINC001246136934 987494068 /nfs/dbraw/zinc/49/40/68/987494068.db2.gz GVGALDKDXQXNCU-FRRDWIJNSA-N 2 3 237.391 1.249 20 0 BDADHP [NH3+]CCCCCCN[C@H]1CCCC[NH2+]C1 ZINC001246165903 987526768 /nfs/dbraw/zinc/52/67/68/987526768.db2.gz RZVGANZEICRGOR-LBPRGKRZSA-N 2 3 213.369 1.237 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001246168595 987534239 /nfs/dbraw/zinc/53/42/39/987534239.db2.gz DYVJZSOMHNRMRX-NEPJUHHUSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H]1CC[C@@H](NCCCCC[NH+](C)C)C[NH2+]1 ZINC001246174805 987541631 /nfs/dbraw/zinc/54/16/31/987541631.db2.gz XFHVDXSBHKUTDI-CHWSQXEVSA-N 2 3 227.396 1.448 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1 ZINC001246210222 987606663 /nfs/dbraw/zinc/60/66/63/987606663.db2.gz IWYJCIXOGGLHMY-RYUDHWBXSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1 ZINC001246210220 987606750 /nfs/dbraw/zinc/60/67/50/987606750.db2.gz IWYJCIXOGGLHMY-NEPJUHHUSA-N 2 3 225.380 1.106 20 0 BDADHP CC1(CN[C@@H]2CCCC[NH2+]C2)CC[NH2+]CC1 ZINC001246209180 987607414 /nfs/dbraw/zinc/60/74/14/987607414.db2.gz FUZYXCUGZPDLCZ-GFCCVEGCSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@H]1C[C@H]([N@H+](C)C2CCC([NH3+])CC2)CCN1 ZINC001246238730 987638440 /nfs/dbraw/zinc/63/84/40/987638440.db2.gz ZGIIDMFQWOQJOS-YWPUVAFDSA-N 2 3 225.380 1.329 20 0 BDADHP C[C@H]1C[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CCN1 ZINC001246238730 987638444 /nfs/dbraw/zinc/63/84/44/987638444.db2.gz ZGIIDMFQWOQJOS-YWPUVAFDSA-N 2 3 225.380 1.329 20 0 BDADHP C(CCN[C@H]1CCC[NH2+]C1)CC[NH+]1CCCC1 ZINC001246273791 987671028 /nfs/dbraw/zinc/67/10/28/987671028.db2.gz VZIBKNJTVKNZCE-AWEZNQCLSA-N 2 3 239.407 1.594 20 0 BDADHP C1[C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C12CNC2 ZINC001246446364 987807215 /nfs/dbraw/zinc/80/72/15/987807215.db2.gz RPEXNVITXAAKSD-CYBMUJFWSA-N 2 3 249.402 1.250 20 0 BDADHP C1[C@@H](NC2CCC3(CC[NH2+]CC3)CC2)C12C[NH2+]C2 ZINC001246446364 987807219 /nfs/dbraw/zinc/80/72/19/987807219.db2.gz RPEXNVITXAAKSD-CYBMUJFWSA-N 2 3 249.402 1.250 20 0 BDADHP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CCN1 ZINC001246477250 987834044 /nfs/dbraw/zinc/83/40/44/987834044.db2.gz NFDRBDHZBSCBHQ-SRVKXCTJSA-N 2 3 243.370 1.054 20 0 BDADHP CN[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246493775 987846398 /nfs/dbraw/zinc/84/63/98/987846398.db2.gz FXTBPYYMBAUWPP-IGQOVBAYSA-N 2 3 237.391 1.249 20 0 BDADHP NC[C@H]1CCCC[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593746 988184311 /nfs/dbraw/zinc/18/43/11/988184311.db2.gz NTHQSXJJANKBBB-MQYQWHSLSA-N 2 3 237.391 1.045 20 0 BDADHP NC[C@H]1CCCC[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593746 988184327 /nfs/dbraw/zinc/18/43/27/988184327.db2.gz NTHQSXJJANKBBB-MQYQWHSLSA-N 2 3 237.391 1.045 20 0 BDADHP C[C@H]1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246628052 988288174 /nfs/dbraw/zinc/28/81/74/988288174.db2.gz LZAUMBYYKQTIII-FQUUOJAGSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246628052 988288190 /nfs/dbraw/zinc/28/81/90/988288190.db2.gz LZAUMBYYKQTIII-FQUUOJAGSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@H]1C[C@@H](N2CCC(C3C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246679507 988424211 /nfs/dbraw/zinc/42/42/11/988424211.db2.gz PXXRZKABZVIIMG-FZMZJTMJSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@H]1C[C@@H]([NH+]2CCC(C3C[NH2+]C3)CC2)CCN1 ZINC001246679507 988424215 /nfs/dbraw/zinc/42/42/15/988424215.db2.gz PXXRZKABZVIIMG-FZMZJTMJSA-N 2 3 237.391 1.058 20 0 BDADHP C[NH2+]CC1CC[NH+](C[C@H](CN)C(C)C)CC1 ZINC000634990978 345174347 /nfs/dbraw/zinc/17/43/47/345174347.db2.gz KCAULFXCHRRLAD-ZDUSSCGKSA-N 2 3 227.396 1.149 20 0 BDADHP CC(C)[C@H](CN)C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000634996116 345186432 /nfs/dbraw/zinc/18/64/32/345186432.db2.gz ZQKAHKFXMJJMEV-MGPQQGTHSA-N 2 3 241.423 1.572 20 0 BDADHP C[C@@H]([NH3+])C[C@@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000635004850 345208332 /nfs/dbraw/zinc/20/83/32/345208332.db2.gz QKBAMRNUPUHFTL-VXGBXAGGSA-N 2 3 247.386 1.548 20 0 BDADHP CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCCNCC1 ZINC000420302709 192207165 /nfs/dbraw/zinc/20/71/65/192207165.db2.gz BVRJOYYUDDIPPR-KGLIPLIRSA-N 2 3 239.407 1.450 20 0 BDADHP CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCCNCC1 ZINC000420302709 192207168 /nfs/dbraw/zinc/20/71/68/192207168.db2.gz BVRJOYYUDDIPPR-KGLIPLIRSA-N 2 3 239.407 1.450 20 0 BDADHP CCN(C)C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324882 192228824 /nfs/dbraw/zinc/22/88/24/192228824.db2.gz VPDJHLRXZHCAOU-KBPBESRZSA-N 2 3 239.407 1.260 20 0 BDADHP CCN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324882 192228826 /nfs/dbraw/zinc/22/88/26/192228826.db2.gz VPDJHLRXZHCAOU-KBPBESRZSA-N 2 3 239.407 1.260 20 0 BDADHP CC[N@H+](C)C[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324882 192228827 /nfs/dbraw/zinc/22/88/27/192228827.db2.gz VPDJHLRXZHCAOU-KBPBESRZSA-N 2 3 239.407 1.260 20 0 BDADHP CC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324882 192228829 /nfs/dbraw/zinc/22/88/29/192228829.db2.gz VPDJHLRXZHCAOU-KBPBESRZSA-N 2 3 239.407 1.260 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000086403883 358968580 /nfs/dbraw/zinc/96/85/80/358968580.db2.gz FAUSWNJMBSFIQZ-NEPJUHHUSA-N 2 3 213.369 1.188 20 0 BDADHP C[C@@H]([NH2+]CC[C@H](C)N)C1CC[NH+](C)CC1 ZINC000622045784 370680154 /nfs/dbraw/zinc/68/01/54/370680154.db2.gz YIWCPIIDKJOMCD-WDEREUQCSA-N 2 3 213.369 1.044 20 0 BDADHP C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC000629542040 361417958 /nfs/dbraw/zinc/41/79/58/361417958.db2.gz XFYZCQURTVDSNK-RGDJUOJXSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC000629542037 361418116 /nfs/dbraw/zinc/41/81/16/361418116.db2.gz XFYZCQURTVDSNK-HTOAHKCRSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@@H]1CC[C@H](NC[C@H]2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC000629660470 361566145 /nfs/dbraw/zinc/56/61/45/361566145.db2.gz USDZIJYKAIWQLD-NDBYEHHHSA-N 2 3 225.380 1.105 20 0 BDADHP [NH3+][C@]12CCC[C@@H]1CN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC000621784479 370536173 /nfs/dbraw/zinc/53/61/73/370536173.db2.gz PNJUQRKJEWUDRJ-MJBXVCDLSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@H]1C[C@@H](CN2CCC(C)([NH3+])CC2)CC[NH2+]1 ZINC000647531014 384623176 /nfs/dbraw/zinc/62/31/76/384623176.db2.gz WDAHRSOYJDOWSC-RYUDHWBXSA-N 2 3 225.380 1.188 20 0 BDADHP C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000647546233 384729786 /nfs/dbraw/zinc/72/97/86/384729786.db2.gz GEWQWGFMUPTGCZ-XJFOESAGSA-N 2 3 237.391 1.106 20 0 BDADHP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000342098413 385926295 /nfs/dbraw/zinc/92/62/95/385926295.db2.gz IHDKJKQWHYEEPL-YIYPIFLZSA-N 2 3 237.391 1.045 20 0 BDADHP C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666728 386111531 /nfs/dbraw/zinc/11/15/31/386111531.db2.gz XFCZHWSMNZFQTK-LPWJVIDDSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666728 386111534 /nfs/dbraw/zinc/11/15/34/386111534.db2.gz XFCZHWSMNZFQTK-LPWJVIDDSA-N 2 3 225.380 1.044 20 0 BDADHP CC(C)C[C@@H](N)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000414665790 386117719 /nfs/dbraw/zinc/11/77/19/386117719.db2.gz FSXVTXWWVQQYBO-WCQYABFASA-N 2 3 227.396 1.419 20 0 BDADHP CNC[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414660314 386091828 /nfs/dbraw/zinc/09/18/28/386091828.db2.gz MPJQHDPHTXRTCH-AVGNSLFASA-N 2 3 225.380 1.058 20 0 BDADHP CNC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414660314 386091835 /nfs/dbraw/zinc/09/18/35/386091835.db2.gz MPJQHDPHTXRTCH-AVGNSLFASA-N 2 3 225.380 1.058 20 0 BDADHP CC[C@@H]1CN(CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647934506 386475759 /nfs/dbraw/zinc/47/57/59/386475759.db2.gz HKURNNKAVCNNPO-ZIAGYGMSSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1N ZINC000647934506 386475767 /nfs/dbraw/zinc/47/57/67/386475767.db2.gz HKURNNKAVCNNPO-ZIAGYGMSSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1N ZINC000647934506 386475772 /nfs/dbraw/zinc/47/57/72/386475772.db2.gz HKURNNKAVCNNPO-ZIAGYGMSSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647934662 386483901 /nfs/dbraw/zinc/48/39/01/386483901.db2.gz LZONIMLFNQQUPU-MCIONIFRSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1N ZINC000647934662 386483907 /nfs/dbraw/zinc/48/39/07/386483907.db2.gz LZONIMLFNQQUPU-MCIONIFRSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1N ZINC000647934662 386483913 /nfs/dbraw/zinc/48/39/13/386483913.db2.gz LZONIMLFNQQUPU-MCIONIFRSA-N 2 3 239.407 1.435 20 0 BDADHP NCC1(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000414777515 386486414 /nfs/dbraw/zinc/48/64/14/386486414.db2.gz XXKRGKAGFWAGTQ-ZDUSSCGKSA-N 2 3 237.391 1.047 20 0 BDADHP CC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647935086 386489681 /nfs/dbraw/zinc/48/96/81/386489681.db2.gz ZAOBPOACPXQZKR-JHJVBQTASA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1N ZINC000647935086 386489687 /nfs/dbraw/zinc/48/96/87/386489687.db2.gz ZAOBPOACPXQZKR-JHJVBQTASA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1N ZINC000647935086 386489690 /nfs/dbraw/zinc/48/96/90/386489690.db2.gz ZAOBPOACPXQZKR-JHJVBQTASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[C@@H](CN)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647905007 386585153 /nfs/dbraw/zinc/58/51/53/386585153.db2.gz DBJUDPFTICWRPT-JSGCOSHPSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]1C[C@@H](CN)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647905007 386585158 /nfs/dbraw/zinc/58/51/58/386585158.db2.gz DBJUDPFTICWRPT-JSGCOSHPSA-N 2 3 239.407 1.435 20 0 BDADHP CC(C)N(C)CCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336671350 386812598 /nfs/dbraw/zinc/81/25/98/386812598.db2.gz SEXDZAUWRGPSCR-ZDUSSCGKSA-N 2 3 229.412 1.824 20 0 BDADHP C(CN1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334996827 387088577 /nfs/dbraw/zinc/08/85/77/387088577.db2.gz VYUNURGCAHGILO-UONOGXRCSA-N 2 3 237.391 1.062 20 0 BDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423393064 387279507 /nfs/dbraw/zinc/27/95/07/387279507.db2.gz QIYJTJHGGFCVRM-QWRGUYRKSA-N 2 3 233.359 1.505 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423442698 387292815 /nfs/dbraw/zinc/29/28/15/387292815.db2.gz VGMKOHDBJGTKNH-YNEHKIRRSA-N 2 3 227.396 1.482 20 0 BDADHP C[C@H](CCC[NH3+])N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423450054 387300378 /nfs/dbraw/zinc/30/03/78/387300378.db2.gz HCIYYMJDEQVWHE-UTUOFQBUSA-N 2 3 213.369 1.234 20 0 BDADHP C[C@H](CCCC[NH3+])NC[C@H]1CCCC[NH2+]1 ZINC000643502356 387363820 /nfs/dbraw/zinc/36/38/20/387363820.db2.gz DHXJOVUFVZAICR-VXGBXAGGSA-N 2 3 213.369 1.236 20 0 BDADHP C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000423545695 387371373 /nfs/dbraw/zinc/37/13/73/387371373.db2.gz JWOHOCNZLLZDIM-YHQUGGNUSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCN1 ZINC000423545695 387371377 /nfs/dbraw/zinc/37/13/77/387371377.db2.gz JWOHOCNZLLZDIM-YHQUGGNUSA-N 2 3 237.391 1.105 20 0 BDADHP CC[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423498282 387341317 /nfs/dbraw/zinc/34/13/17/387341317.db2.gz GRSITSBLPVBBSN-NDBYEHHHSA-N 2 3 225.380 1.234 20 0 BDADHP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCCN1 ZINC000423498282 387341318 /nfs/dbraw/zinc/34/13/18/387341318.db2.gz GRSITSBLPVBBSN-NDBYEHHHSA-N 2 3 225.380 1.234 20 0 BDADHP CC(C)N1CCC[C@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422737100 387646203 /nfs/dbraw/zinc/64/62/03/387646203.db2.gz HLRDPLWHMAPJMI-ZIAGYGMSSA-N 2 3 241.423 1.824 20 0 BDADHP CCCN1CC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422977709 387788331 /nfs/dbraw/zinc/78/83/31/387788331.db2.gz XJIWVLMPDUTPRE-UONOGXRCSA-N 2 3 241.423 1.825 20 0 BDADHP C[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])CN1CCCC1 ZINC000336712614 388466175 /nfs/dbraw/zinc/46/61/75/388466175.db2.gz OBWBZMLBWMSODG-KBPBESRZSA-N 2 3 241.423 1.825 20 0 BDADHP [NH3+]CC1CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000530217643 388629902 /nfs/dbraw/zinc/62/99/02/388629902.db2.gz URWNAXHJPDWMLU-WXRRBKDZSA-N 2 3 237.391 1.378 20 0 BDADHP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCCNC2)C1 ZINC000564971283 388904408 /nfs/dbraw/zinc/90/44/08/388904408.db2.gz UMWGVPBIDYGDCH-JHJVBQTASA-N 2 3 225.380 1.093 20 0 BDADHP C([C@H]1CCCNC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261949829 135264875 /nfs/dbraw/zinc/26/48/75/135264875.db2.gz FTPKLTYZUIRXFX-ZDUSSCGKSA-N 2 3 237.391 1.062 20 0 BDADHP C([C@H]1CCCNC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261949829 135264876 /nfs/dbraw/zinc/26/48/76/135264876.db2.gz FTPKLTYZUIRXFX-ZDUSSCGKSA-N 2 3 237.391 1.062 20 0 BDADHP C[C@@]1(CN2CCC3(C2)CC[NH2+]CC3)CC[NH2+]C1 ZINC000261980307 135269017 /nfs/dbraw/zinc/26/90/17/135269017.db2.gz JBTRYWJJUORIDV-CYBMUJFWSA-N 2 3 237.391 1.062 20 0 BDADHP C[NH2+]Cc1ccccc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000650755863 410400132 /nfs/dbraw/zinc/40/01/32/410400132.db2.gz OLGUQUPKJINEID-DOMZBBRYSA-N 2 3 247.386 1.623 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761852 410409884 /nfs/dbraw/zinc/40/98/84/410409884.db2.gz MBBMPBJNJBSSIK-KBPBESRZSA-N 2 3 239.407 1.483 20 0 BDADHP C[C@@H]([NH2+]C[C@H]1CCCN1)C1CC[NH+](C)CC1 ZINC000396458294 410881690 /nfs/dbraw/zinc/88/16/90/410881690.db2.gz OGYMXMUNIAEWDK-DGCLKSJQSA-N 2 3 225.380 1.058 20 0 BDADHP CC[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000656200082 411204685 /nfs/dbraw/zinc/20/46/85/411204685.db2.gz JFZBWSVPLZZUCG-CRWXNKLISA-N 2 3 239.407 1.447 20 0 BDADHP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCN1 ZINC000656200082 411204688 /nfs/dbraw/zinc/20/46/88/411204688.db2.gz JFZBWSVPLZZUCG-CRWXNKLISA-N 2 3 239.407 1.447 20 0 BDADHP C[NH+](C)CCCC1CCN(CCC[NH3+])CC1 ZINC000414698528 487817760 /nfs/dbraw/zinc/81/77/60/487817760.db2.gz CWUTYXXYDYGOGU-UHFFFAOYSA-N 2 3 227.396 1.389 20 0 BDADHP CCN1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000666857762 487891780 /nfs/dbraw/zinc/89/17/80/487891780.db2.gz IIJDIUJFZPQFGC-IHRRRGAJSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1CC12CC[NH2+]CC2 ZINC000666955475 487917410 /nfs/dbraw/zinc/91/74/10/487917410.db2.gz NPLONZCISCHOMM-UPJWGTAASA-N 2 3 237.391 1.249 20 0 BDADHP NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000564827783 325813533 /nfs/dbraw/zinc/81/35/33/325813533.db2.gz FUWATPUAUYMOJJ-IGQOVBAYSA-N 2 3 237.391 1.092 20 0 BDADHP CN(CC[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000566244665 326022812 /nfs/dbraw/zinc/02/28/12/326022812.db2.gz NPWUPEHQDXRDII-GFCCVEGCSA-N 2 3 225.380 1.060 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000086403954 487500902 /nfs/dbraw/zinc/50/09/02/487500902.db2.gz WFTRKAJWDIZBGF-RUJICJSRSA-N 2 3 211.353 1.116 20 0 BDADHP NC[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000652352700 487930199 /nfs/dbraw/zinc/93/01/99/487930199.db2.gz OMKFGLOOCFUIRU-IHRRRGAJSA-N 2 3 237.391 1.047 20 0 BDADHP NC[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000652352700 487930202 /nfs/dbraw/zinc/93/02/02/487930202.db2.gz OMKFGLOOCFUIRU-IHRRRGAJSA-N 2 3 237.391 1.047 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000084216629 535831558 /nfs/dbraw/zinc/83/15/58/535831558.db2.gz LUJFIKGVGYHZLN-QWHCGFSZSA-N 2 3 227.396 1.435 20 0 BDADHP C[NH+](C)CCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250343899 535832374 /nfs/dbraw/zinc/83/23/74/535832374.db2.gz DZQUXGUXGJWKFP-KBPBESRZSA-N 2 3 239.407 1.545 20 0 BDADHP C[NH+](C)CCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250343899 535832378 /nfs/dbraw/zinc/83/23/78/535832378.db2.gz DZQUXGUXGJWKFP-KBPBESRZSA-N 2 3 239.407 1.545 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000250343899 535832383 /nfs/dbraw/zinc/83/23/83/535832383.db2.gz DZQUXGUXGJWKFP-KBPBESRZSA-N 2 3 239.407 1.545 20 0 BDADHP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1CN ZINC000903458836 584765855 /nfs/dbraw/zinc/76/58/55/584765855.db2.gz LIJZXANOKKIXBT-NDBYEHHHSA-N 2 3 225.380 1.031 20 0 BDADHP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1CN ZINC000903458836 584765857 /nfs/dbraw/zinc/76/58/57/584765857.db2.gz LIJZXANOKKIXBT-NDBYEHHHSA-N 2 3 225.380 1.031 20 0 BDADHP C[C@@H]1CCN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000903458836 584765858 /nfs/dbraw/zinc/76/58/58/584765858.db2.gz LIJZXANOKKIXBT-NDBYEHHHSA-N 2 3 225.380 1.031 20 0 BDADHP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@]3(C2)CCCNC3)C1 ZINC000903451483 584771706 /nfs/dbraw/zinc/77/17/06/584771706.db2.gz AJHRSHITFOTVRX-MJBXVCDLSA-N 2 3 237.391 1.189 20 0 BDADHP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@]3(C2)CCCNC3)C1 ZINC000903451483 584771708 /nfs/dbraw/zinc/77/17/08/584771708.db2.gz AJHRSHITFOTVRX-MJBXVCDLSA-N 2 3 237.391 1.189 20 0 BDADHP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCNC23CCCC3)C1 ZINC000903482056 584778757 /nfs/dbraw/zinc/77/87/57/584778757.db2.gz VQISCINCQPUQKM-YNEHKIRRSA-N 2 3 237.391 1.378 20 0 BDADHP CC(C)(C[NH3+])C1CCN(CCC[NH3+])CC1 ZINC000903790638 584798635 /nfs/dbraw/zinc/79/86/35/584798635.db2.gz TUPRRPVMUYUUDV-UHFFFAOYSA-N 2 3 213.369 1.032 20 0 BDADHP [NH3+]CCCN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792488 584799065 /nfs/dbraw/zinc/79/90/65/584799065.db2.gz CDFBTZSTQZWTPR-UHFFFAOYSA-N 2 3 247.386 1.328 20 0 BDADHP CC[NH2+][C@H](C)CNCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919260 584823130 /nfs/dbraw/zinc/82/31/30/584823130.db2.gz LKFVGSGTTIAYJA-ODWCKFRGSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000903935075 584825785 /nfs/dbraw/zinc/82/57/85/584825785.db2.gz LUYDNAOSLATBKS-RFLLOBDJSA-N 2 3 237.391 1.044 20 0 BDADHP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1CN ZINC000903935075 584825786 /nfs/dbraw/zinc/82/57/86/584825786.db2.gz LUYDNAOSLATBKS-RFLLOBDJSA-N 2 3 237.391 1.044 20 0 BDADHP C([NH2+]C[C@@H]1CCCNC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917961 584827106 /nfs/dbraw/zinc/82/71/06/584827106.db2.gz PGSKKSVSMQCSQX-RLAWYHOSSA-N 2 3 237.391 1.106 20 0 BDADHP [NH3+]CC[C@@H]1CCCCN1Cc1ccc(C[NH3+])cc1 ZINC000904351342 584869618 /nfs/dbraw/zinc/86/96/18/584869618.db2.gz YBVMZIVWWGECTP-HNNXBMFYSA-N 2 3 247.386 1.849 20 0 BDADHP CC(C)C[C@H]([NH3+])CN1CC[C@@H](CC[NH3+])C1 ZINC000904407109 584878971 /nfs/dbraw/zinc/87/89/71/584878971.db2.gz NJGQMKMVVWFLDN-NEPJUHHUSA-N 2 3 213.369 1.031 20 0 BDADHP CC(C)[C@H](CN)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410598 584879042 /nfs/dbraw/zinc/87/90/42/584879042.db2.gz PNOLQIMAPLSHCG-RWMBFGLXSA-N 2 3 227.396 1.134 20 0 BDADHP CC(C)[C@H](CN)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410598 584879043 /nfs/dbraw/zinc/87/90/43/584879043.db2.gz PNOLQIMAPLSHCG-RWMBFGLXSA-N 2 3 227.396 1.134 20 0 BDADHP [NH3+]Cc1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904418885 584881891 /nfs/dbraw/zinc/88/18/91/584881891.db2.gz GPIPYRVNTBKQOM-LSDHHAIUSA-N 2 3 245.370 1.187 20 0 BDADHP [NH3+]CCc1ccc(CNCC2(C[NH3+])CC2)cc1 ZINC000841032459 587937044 /nfs/dbraw/zinc/93/70/44/587937044.db2.gz CEPSTWRQRAQLGN-UHFFFAOYSA-N 2 3 233.359 1.016 20 0 BDADHP NCC1(C[NH2+]Cc2ccc(CC[NH3+])cc2)CC1 ZINC000841032459 587937046 /nfs/dbraw/zinc/93/70/46/587937046.db2.gz CEPSTWRQRAQLGN-UHFFFAOYSA-N 2 3 233.359 1.016 20 0 BDADHP CC(C)C[C@@H](N)C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841033138 587937349 /nfs/dbraw/zinc/93/73/49/587937349.db2.gz LOPNZNSNYONFAD-OAHLLOKOSA-N 2 3 249.402 1.651 20 0 BDADHP CC(C)(N)C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000843126159 588084168 /nfs/dbraw/zinc/08/41/68/588084168.db2.gz NQLSIVRLWFBMPL-UHFFFAOYSA-N 2 3 221.348 1.015 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843344100 588101655 /nfs/dbraw/zinc/10/16/55/588101655.db2.gz QMBGDENJAXPNFD-OLZOCXBDSA-N 2 3 227.396 1.483 20 0 BDADHP [NH3+]CCCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000846220439 588259929 /nfs/dbraw/zinc/25/99/29/588259929.db2.gz PIUMHWZQAVBWQY-ZDUSSCGKSA-N 2 3 225.380 1.191 20 0 BDADHP [NH3+]CCCCCCN(C1CC1)C1CC[NH2+]CC1 ZINC000846213587 588260608 /nfs/dbraw/zinc/26/06/08/588260608.db2.gz CGUFUVYXMOOSAS-UHFFFAOYSA-N 2 3 239.407 1.722 20 0 BDADHP [NH3+]CCc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848714669 588407950 /nfs/dbraw/zinc/40/79/50/588407950.db2.gz GBLMFIXLKAYQEG-GJZGRUSLSA-N 2 3 247.386 1.547 20 0 BDADHP C[C@]12C[NH2+]C[C@@]1(C)CN(CCCCCC[NH3+])C2 ZINC000863560617 589299077 /nfs/dbraw/zinc/29/90/77/589299077.db2.gz MRORDKSYJLPISI-OKILXGFUSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@H](NCC[NH2+]C(C)(C)C)C1CC[NH2+]CC1 ZINC000873220864 589999274 /nfs/dbraw/zinc/99/92/74/589999274.db2.gz VHSKYGBLYDCCTK-LLVKDONJSA-N 2 3 227.396 1.352 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+]Cc1cccc2c1CCNC2 ZINC000873234928 590004208 /nfs/dbraw/zinc/00/42/08/590004208.db2.gz HKEHZOTXXCGHPJ-GFCCVEGCSA-N 2 3 247.386 1.549 20 0 BDADHP CC(C)(C)N1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873257852 590012561 /nfs/dbraw/zinc/01/25/61/590012561.db2.gz VJUXLGSPCLOTMB-HAQNSBGRSA-N 2 3 239.407 1.576 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272085 590015988 /nfs/dbraw/zinc/01/59/88/590015988.db2.gz PLSVNLACQWFQCI-VWYCJHECSA-N 2 3 213.369 1.090 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873270221 590016007 /nfs/dbraw/zinc/01/60/07/590016007.db2.gz PLSVNLACQWFQCI-HBNTYKKESA-N 2 3 213.369 1.090 20 0 BDADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000925727181 634524905 /nfs/dbraw/zinc/52/49/05/634524905.db2.gz NEXJEFOPYPHRQE-KVSVUVNWSA-N 2 3 237.391 1.090 20 0 BDADHP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@]3(C2)CCCCN3)C1 ZINC000923530674 644487022 /nfs/dbraw/zinc/48/70/22/644487022.db2.gz MEGPTVPATUGLEN-BFHYXJOUSA-N 2 3 237.391 1.332 20 0 BDADHP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@]3(C2)CCCCN3)C1 ZINC000923530674 644487025 /nfs/dbraw/zinc/48/70/25/644487025.db2.gz MEGPTVPATUGLEN-BFHYXJOUSA-N 2 3 237.391 1.332 20 0 BDADHP C(C[NH2+][C@@H]1CCNC12CCC2)C[C@H]1CCC[NH2+]1 ZINC000925710711 646434241 /nfs/dbraw/zinc/43/42/41/646434241.db2.gz QRBNPCFDQLESOH-CHWSQXEVSA-N 2 3 237.391 1.393 20 0 BDADHP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925726610 646451274 /nfs/dbraw/zinc/45/12/74/646451274.db2.gz URWNAXHJPDWMLU-AVGNSLFASA-N 2 3 237.391 1.378 20 0 BDADHP C[C@]1(N)CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001204939836 967247311 /nfs/dbraw/zinc/24/73/11/967247311.db2.gz UTSONOVLJWRODB-ZDUSSCGKSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@]1(N)CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001204939836 967247319 /nfs/dbraw/zinc/24/73/19/967247319.db2.gz UTSONOVLJWRODB-ZDUSSCGKSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@]1([NH3+])CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001205257203 979756744 /nfs/dbraw/zinc/75/67/44/979756744.db2.gz UAXJDMVAHBAVBM-KBPBESRZSA-N 2 3 239.407 1.579 20 0 BDADHP C[NH+](C)C1CCC(N2CCC[C@H]([NH3+])CC2)CC1 ZINC001246544931 972607479 /nfs/dbraw/zinc/60/74/79/972607479.db2.gz IIMPZRKJLXTAHH-HSBZDZAISA-N 2 3 239.407 1.672 20 0 BDADHP C[NH2+]C1CCC([N@@H+]2CC[C@@H](C)[C@H](CN)C2)CC1 ZINC001246548417 972686020 /nfs/dbraw/zinc/68/60/20/972686020.db2.gz GMDVCNLXEQYXHL-IWMBGFJWSA-N 2 3 239.407 1.434 20 0 BDADHP C[NH2+]C1CCC([N@H+]2CC[C@@H](C)[C@H](CN)C2)CC1 ZINC001246548417 972686023 /nfs/dbraw/zinc/68/60/23/972686023.db2.gz GMDVCNLXEQYXHL-IWMBGFJWSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H](CN)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256852715 970998917 /nfs/dbraw/zinc/99/89/17/970998917.db2.gz OXBSBQWQACHHHE-GFCCVEGCSA-N 2 3 248.374 1.235 20 0 BDADHP C(CC1CC[NH2+]CC1)N[C@@H]1CCCC[NH2+]C1 ZINC001246104005 972167565 /nfs/dbraw/zinc/16/75/65/972167565.db2.gz IEMORZQSNUJCBD-CYBMUJFWSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@]1(N)CCC[N@H+](CCCCCC[NH3+])C1 ZINC001204939463 967242880 /nfs/dbraw/zinc/24/28/80/967242880.db2.gz RLOUJVSYEUHVJU-LBPRGKRZSA-N 2 3 213.369 1.319 20 0 BDADHP C[C@]1(N)CCC[N@@H+](CCCCCC[NH3+])C1 ZINC001204939463 967242890 /nfs/dbraw/zinc/24/28/90/967242890.db2.gz RLOUJVSYEUHVJU-LBPRGKRZSA-N 2 3 213.369 1.319 20 0 BDADHP [NH3+][C@@H]1CCCN(CCC23CC([NH3+])(C2)C3)CC1 ZINC001205088707 967330327 /nfs/dbraw/zinc/33/03/27/967330327.db2.gz RNOPPEOQFGILAK-PNESKVBLSA-N 2 3 223.364 1.071 20 0 BDADHP [NH3+]CCC1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001206500210 968343749 /nfs/dbraw/zinc/34/37/49/968343749.db2.gz HYSQZACWWICZEZ-CQSZACIVSA-N 2 3 239.407 1.579 20 0 BDADHP [NH3+]CCC1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001206500209 968344263 /nfs/dbraw/zinc/34/42/63/968344263.db2.gz HYSQZACWWICZEZ-AWEZNQCLSA-N 2 3 239.407 1.579 20 0 BDADHP NC[C@H]1CCCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001206606566 968413958 /nfs/dbraw/zinc/41/39/58/968413958.db2.gz PKZQKCJUICJTHR-CQSZACIVSA-N 2 3 239.407 1.437 20 0 BDADHP NC[C@H]1CCCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001206606566 968413964 /nfs/dbraw/zinc/41/39/64/968413964.db2.gz PKZQKCJUICJTHR-CQSZACIVSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@H]1C[C@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246579276 972919472 /nfs/dbraw/zinc/91/94/72/972919472.db2.gz UAQNBBQHRXTQQA-MJBXVCDLSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@H]1C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246579276 972919502 /nfs/dbraw/zinc/91/95/02/972919502.db2.gz UAQNBBQHRXTQQA-MJBXVCDLSA-N 2 3 239.407 1.578 20 0 BDADHP CN1C(C)(C)CC([NH2+]CCCC[NH3+])CC1(C)C ZINC001171620819 974116275 /nfs/dbraw/zinc/11/62/75/974116275.db2.gz GALICMOMDPTPSW-UHFFFAOYSA-N 2 3 241.423 1.966 20 0 BDADHP C[C@H]1[C@@H](C[NH3+])CCCN1Cc1ccc(C[NH3+])cc1 ZINC001205903642 983125579 /nfs/dbraw/zinc/12/55/79/983125579.db2.gz QMVFWKDEIPAITK-SWLSCSKDSA-N 2 3 247.386 1.705 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CCN1 ZINC001246112399 987446792 /nfs/dbraw/zinc/44/67/92/987446792.db2.gz SFLFPXDBOMHRCL-AAEUAGOBSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])CCN1 ZINC001246163467 987528626 /nfs/dbraw/zinc/52/86/26/987528626.db2.gz IWGKPVQIODYRKS-VXGBXAGGSA-N 2 3 213.369 1.236 20 0 BDADHP CCC[NH2+]CCN[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246272724 987666686 /nfs/dbraw/zinc/66/66/86/987666686.db2.gz VEQSBEKCWUQOQB-ZDUSSCGKSA-N 2 3 239.407 1.498 20 0 BDADHP C[C@H]1CC[C@@H](NCCCCCCC[NH3+])C[NH2+]1 ZINC001246303782 987701842 /nfs/dbraw/zinc/70/18/42/987701842.db2.gz AOQGWRNFWLYSFI-QWHCGFSZSA-N 2 3 227.396 1.626 20 0 BDADHP C[C@@H](CN)C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246324417 987731984 /nfs/dbraw/zinc/73/19/84/987731984.db2.gz KTTNTBAKPNIORY-HSBZDZAISA-N 2 3 239.407 1.483 20 0 BDADHP CCC1(CN[C@@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246425822 987794639 /nfs/dbraw/zinc/79/46/39/987794639.db2.gz ZOWOIKVCADQGEP-CHWSQXEVSA-N 2 3 239.407 1.496 20 0 BDADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246443591 987801715 /nfs/dbraw/zinc/80/17/15/987801715.db2.gz HLVNLCLIMRHSHD-QWHCGFSZSA-N 2 3 239.407 1.448 20 0 BDADHP CC[NH+](CC)CCC[C@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246443591 987801717 /nfs/dbraw/zinc/80/17/17/987801717.db2.gz HLVNLCLIMRHSHD-QWHCGFSZSA-N 2 3 239.407 1.448 20 0 BDADHP [NH3+]Cc1ccc(CC[NH2+][C@@H]2CCCCNC2)cc1 ZINC001246483662 987842203 /nfs/dbraw/zinc/84/22/03/987842203.db2.gz MSMDGKYIUBYMOG-OAHLLOKOSA-N 2 3 247.386 1.420 20 0 BDADHP CC[C@@H]1C[C@@H](N2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246537813 987898522 /nfs/dbraw/zinc/89/85/22/987898522.db2.gz LXLFFNMBOODNMC-OLZOCXBDSA-N 2 3 225.380 1.188 20 0 BDADHP C[NH2+]C1CCC([N@@H+]2CCC[C@@H](CN)[C@H]2C)CC1 ZINC001246564410 988019332 /nfs/dbraw/zinc/01/93/32/988019332.db2.gz NQFMRBMTKZWOAR-KBHBFKLGSA-N 2 3 239.407 1.576 20 0 BDADHP C[NH2+]C1CCC([N@H+]2CCC[C@@H](CN)[C@H]2C)CC1 ZINC001246564410 988019346 /nfs/dbraw/zinc/01/93/46/988019346.db2.gz NQFMRBMTKZWOAR-KBHBFKLGSA-N 2 3 239.407 1.576 20 0 BDADHP C[C@]1(C[NH3+])CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3)CC1 ZINC001246582683 988126245 /nfs/dbraw/zinc/12/62/45/988126245.db2.gz SFDBJNVGCXJUKB-IXXDHKBRSA-N 2 3 249.402 1.496 20 0 BDADHP C[C@]1(C[NH3+])CCC[N@H+](C2C[C@@H]3C=C[C@H](C2)N3)CC1 ZINC001246582683 988126273 /nfs/dbraw/zinc/12/62/73/988126273.db2.gz SFDBJNVGCXJUKB-IXXDHKBRSA-N 2 3 249.402 1.496 20 0 BDADHP C1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)N1 ZINC001246634699 988319780 /nfs/dbraw/zinc/31/97/80/988319780.db2.gz AWRPRQATZMDUOJ-GBJTYRQASA-N 2 3 249.402 1.345 20 0 BDADHP C1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)N1 ZINC001246634699 988319795 /nfs/dbraw/zinc/31/97/95/988319795.db2.gz AWRPRQATZMDUOJ-GBJTYRQASA-N 2 3 249.402 1.345 20 0 BDADHP CNCC[C@H](C)[N@H+](C)CCC1CC[NH2+]CC1 ZINC001246794572 988472597 /nfs/dbraw/zinc/47/25/97/988472597.db2.gz GAVSSOLGXQKDRY-LBPRGKRZSA-N 2 3 227.396 1.306 20 0 BDADHP CNCC[C@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246794572 988472609 /nfs/dbraw/zinc/47/26/09/988472609.db2.gz GAVSSOLGXQKDRY-LBPRGKRZSA-N 2 3 227.396 1.306 20 0 BDADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCNCC2)CC1 ZINC000333175245 398316668 /nfs/dbraw/zinc/31/66/68/398316668.db2.gz QTTYOVBIJVJLJG-MGPQQGTHSA-N 2 3 239.407 1.483 20 0 BDADHP CC(C)[C@@H](CN)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000634991053 345173957 /nfs/dbraw/zinc/17/39/57/345173957.db2.gz OAUXRWDJHLJLIW-YPMHNXCESA-N 2 3 227.396 1.277 20 0 BDADHP CC(C)[C@@H](C[NH3+])CN1CCC([C@@H](C)[NH3+])CC1 ZINC000634991053 345173958 /nfs/dbraw/zinc/17/39/58/345173958.db2.gz OAUXRWDJHLJLIW-YPMHNXCESA-N 2 3 227.396 1.277 20 0 BDADHP CC(C)[C@@H](CN)C[NH2+][C@H](C)CCCC[NH3+] ZINC000634995990 345186220 /nfs/dbraw/zinc/18/62/20/345186220.db2.gz VXQOYSDPPYEPES-NEPJUHHUSA-N 2 3 215.385 1.324 20 0 BDADHP C[NH2+]Cc1ccccc1CNC[C@@H](C[NH3+])C(C)C ZINC000634996254 345187767 /nfs/dbraw/zinc/18/77/67/345187767.db2.gz DUNXGQMJKAGWNN-OAHLLOKOSA-N 2 3 249.402 1.727 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000635006567 345210491 /nfs/dbraw/zinc/21/04/91/345210491.db2.gz SFOYYGKWOBLZQC-LPWJVIDDSA-N 2 3 225.380 1.363 20 0 BDADHP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCNC1 ZINC000577708955 366041333 /nfs/dbraw/zinc/04/13/33/366041333.db2.gz MDHQSQOJYKCPTA-IHRRRGAJSA-N 2 3 239.407 1.354 20 0 BDADHP CC[NH+](CC)CCCN1CCC[C@@H](CC[NH3+])C1 ZINC000420319554 192195977 /nfs/dbraw/zinc/19/59/77/192195977.db2.gz XSBBALNHAVTFQR-AWEZNQCLSA-N 2 3 241.423 1.779 20 0 BDADHP CCN(CC)CCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420319554 192195979 /nfs/dbraw/zinc/19/59/79/192195979.db2.gz XSBBALNHAVTFQR-AWEZNQCLSA-N 2 3 241.423 1.779 20 0 BDADHP CCN(CC)CCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420319554 192195981 /nfs/dbraw/zinc/19/59/81/192195981.db2.gz XSBBALNHAVTFQR-AWEZNQCLSA-N 2 3 241.423 1.779 20 0 BDADHP CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCNCC1 ZINC000420302711 192206753 /nfs/dbraw/zinc/20/67/53/192206753.db2.gz BVRJOYYUDDIPPR-UONOGXRCSA-N 2 3 239.407 1.450 20 0 BDADHP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCNCC1 ZINC000420302711 192206756 /nfs/dbraw/zinc/20/67/56/192206756.db2.gz BVRJOYYUDDIPPR-UONOGXRCSA-N 2 3 239.407 1.450 20 0 BDADHP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000226343864 358337731 /nfs/dbraw/zinc/33/77/31/358337731.db2.gz FSUPZLPYGARFEX-CHWSQXEVSA-N 2 3 239.407 1.578 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086403877 358968596 /nfs/dbraw/zinc/96/85/96/358968596.db2.gz FAUSWNJMBSFIQZ-NWDGAFQWSA-N 2 3 213.369 1.188 20 0 BDADHP C1CC2(C1)NCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629512104 361105923 /nfs/dbraw/zinc/10/59/23/361105923.db2.gz ALCOHNMKHTXNPE-FQUUOJAGSA-N 2 3 249.402 1.249 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCNC12CCC2 ZINC000629512304 361107556 /nfs/dbraw/zinc/10/75/56/361107556.db2.gz CRHBWPWWLQCXIE-NEPJUHHUSA-N 2 3 225.380 1.378 20 0 BDADHP CC[C@@H]1NCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000629528944 361138367 /nfs/dbraw/zinc/13/83/67/361138367.db2.gz NRIRSEZITOPILR-IFWUJCSASA-N 2 3 225.380 1.234 20 0 BDADHP C[C@H](N)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000622045783 370679649 /nfs/dbraw/zinc/67/96/49/370679649.db2.gz YIWCPIIDKJOMCD-QWRGUYRKSA-N 2 3 213.369 1.044 20 0 BDADHP [NH3+]CCCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000147855603 384457376 /nfs/dbraw/zinc/45/73/76/384457376.db2.gz MFUKYKDHABELAJ-OLZOCXBDSA-N 2 3 219.332 1.460 20 0 BDADHP C[C@@H]1C[NH2+]C[C@@H](NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000647547048 384738009 /nfs/dbraw/zinc/73/80/09/384738009.db2.gz LXTGMCMRJUYYLJ-AVGNSLFASA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)CN1CCCCC1 ZINC000310403439 385043283 /nfs/dbraw/zinc/04/32/83/385043283.db2.gz NQTKBZDUKILNGI-UONOGXRCSA-N 2 3 241.423 1.825 20 0 BDADHP N[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647814501 385868550 /nfs/dbraw/zinc/86/85/50/385868550.db2.gz QVKJFKOUHOARHJ-CYBMUJFWSA-N 2 3 225.380 1.189 20 0 BDADHP N[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647814501 385868555 /nfs/dbraw/zinc/86/85/55/385868555.db2.gz QVKJFKOUHOARHJ-CYBMUJFWSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@H]1C[C@@H](CN)C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666730 386111627 /nfs/dbraw/zinc/11/16/27/386111627.db2.gz XFCZHWSMNZFQTK-XQHKEYJVSA-N 2 3 225.380 1.044 20 0 BDADHP C[C@H]1C[C@@H](CN)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666730 386111630 /nfs/dbraw/zinc/11/16/30/386111630.db2.gz XFCZHWSMNZFQTK-XQHKEYJVSA-N 2 3 225.380 1.044 20 0 BDADHP CC(C)C[C@@H](N)C[NH+]1CCC(C[NH3+])CC1 ZINC000414651100 386071051 /nfs/dbraw/zinc/07/10/51/386071051.db2.gz DZTHQEMMLXQHET-GFCCVEGCSA-N 2 3 213.369 1.031 20 0 BDADHP CC(C)[C@@H](N)CC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414662390 386099648 /nfs/dbraw/zinc/09/96/48/386099648.db2.gz QAZJXZJSRPKKFN-MCIONIFRSA-N 2 3 241.423 1.680 20 0 BDADHP CC(C)[C@@H](N)CC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414662390 386099652 /nfs/dbraw/zinc/09/96/52/386099652.db2.gz QAZJXZJSRPKKFN-MCIONIFRSA-N 2 3 241.423 1.680 20 0 BDADHP CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414662390 386099655 /nfs/dbraw/zinc/09/96/55/386099655.db2.gz QAZJXZJSRPKKFN-MCIONIFRSA-N 2 3 241.423 1.680 20 0 BDADHP [NH3+]CC1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000335267498 386349116 /nfs/dbraw/zinc/34/91/16/386349116.db2.gz IMIZGINQKBORCD-BPCQOVAHSA-N 2 3 225.380 1.236 20 0 BDADHP CC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647935088 386489337 /nfs/dbraw/zinc/48/93/37/386489337.db2.gz ZAOBPOACPXQZKR-XQQFMLRXSA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1N ZINC000647935088 386489340 /nfs/dbraw/zinc/48/93/40/386489340.db2.gz ZAOBPOACPXQZKR-XQQFMLRXSA-N 2 3 225.380 1.045 20 0 BDADHP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1N ZINC000647935088 386489347 /nfs/dbraw/zinc/48/93/47/386489347.db2.gz ZAOBPOACPXQZKR-XQQFMLRXSA-N 2 3 225.380 1.045 20 0 BDADHP NC[C@H]1CCCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000414814922 386649883 /nfs/dbraw/zinc/64/98/83/386649883.db2.gz ZODVFCOJFHUBRP-FKZOYECMSA-N 2 3 239.407 1.611 20 0 BDADHP CC(C)N(C)CCC[NH2+][C@H](C)CCCC[NH3+] ZINC000336671328 386811208 /nfs/dbraw/zinc/81/12/08/386811208.db2.gz SEXDZAUWRGPSCR-CYBMUJFWSA-N 2 3 229.412 1.824 20 0 BDADHP C[C@H]1CN(CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000335759062 386888743 /nfs/dbraw/zinc/88/87/43/386888743.db2.gz UOSNEHHBHCYMAP-AAEUAGOBSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1N ZINC000335759062 386888746 /nfs/dbraw/zinc/88/87/46/386888746.db2.gz UOSNEHHBHCYMAP-AAEUAGOBSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1N ZINC000335759062 386888750 /nfs/dbraw/zinc/88/87/50/386888750.db2.gz UOSNEHHBHCYMAP-AAEUAGOBSA-N 2 3 225.380 1.045 20 0 BDADHP CC(C)[C@@H]([NH3+])CCN(C)CCC1CC[NH2+]CC1 ZINC000359220239 387068930 /nfs/dbraw/zinc/06/89/30/387068930.db2.gz OHIIQHRBZVGTCD-AWEZNQCLSA-N 2 3 241.423 1.681 20 0 BDADHP CC[N@@H+]1CC[C@@H](NCC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423330253 387176583 /nfs/dbraw/zinc/17/65/83/387176583.db2.gz BQUVRNYAAJQDMF-GXTWGEPZSA-N 2 3 237.391 1.226 20 0 BDADHP CC[N@H+]1CC[C@@H](NCC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423330253 387176588 /nfs/dbraw/zinc/17/65/88/387176588.db2.gz BQUVRNYAAJQDMF-GXTWGEPZSA-N 2 3 237.391 1.226 20 0 BDADHP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423372521 387226565 /nfs/dbraw/zinc/22/65/65/387226565.db2.gz VXHSQNACFROTJP-UPJWGTAASA-N 2 3 225.380 1.058 20 0 BDADHP C[C@@H](NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423465980 387313433 /nfs/dbraw/zinc/31/34/33/387313433.db2.gz AGTITRPOTRULHB-RDBSUJKOSA-N 2 3 239.407 1.639 20 0 BDADHP CCC[NH+]1CCC(C[NH2+][C@@H](C)C2CNC2)CC1 ZINC000422742771 387691214 /nfs/dbraw/zinc/69/12/14/387691214.db2.gz QJYYZJMESAPMAW-LBPRGKRZSA-N 2 3 239.407 1.306 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000422835711 387729524 /nfs/dbraw/zinc/72/95/24/387729524.db2.gz IYKBCSLNJTUEBV-JHJVBQTASA-N 2 3 227.396 1.576 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423140184 387918627 /nfs/dbraw/zinc/91/86/27/387918627.db2.gz XQJLCJRLNNXFNL-UONOGXRCSA-N 2 3 241.423 1.968 20 0 BDADHP CC[C@H](NC1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000423228574 388013243 /nfs/dbraw/zinc/01/32/43/388013243.db2.gz DCAVNEXASBIPFA-TYUFSLCMSA-N 2 3 225.380 1.377 20 0 BDADHP CC[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCN1 ZINC000423228574 388013247 /nfs/dbraw/zinc/01/32/47/388013247.db2.gz DCAVNEXASBIPFA-TYUFSLCMSA-N 2 3 225.380 1.377 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000084216680 135192553 /nfs/dbraw/zinc/19/25/53/135192553.db2.gz CVURJXWSTSIQKH-WTIISPKJSA-N 2 3 225.380 1.363 20 0 BDADHP [NH3+][C@@H]1C[C@@H](NCC[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000566087934 410065854 /nfs/dbraw/zinc/06/58/54/410065854.db2.gz FRSLKCFUAIEYGQ-KCPJHIHWSA-N 2 3 245.370 1.720 20 0 BDADHP NC[C@H]1CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762222 410412161 /nfs/dbraw/zinc/41/21/61/410412161.db2.gz XJKQLFARIPRQSB-OLZOCXBDSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@@H]1C[C@H](CN2CC[C@@H]([NH3+])C[C@@H]2C)CC[NH2+]1 ZINC000653279858 410632539 /nfs/dbraw/zinc/63/25/39/410632539.db2.gz BQQMLXJAAUAUGX-YVECIDJPSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](N)C[C@@H]2C)CC[NH2+]1 ZINC000653279858 410632543 /nfs/dbraw/zinc/63/25/43/410632543.db2.gz BQQMLXJAAUAUGX-YVECIDJPSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](N)C[C@@H]2C)CC[NH2+]1 ZINC000653279858 410632547 /nfs/dbraw/zinc/63/25/47/410632547.db2.gz BQQMLXJAAUAUGX-YVECIDJPSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CC[NH+](C)CC1 ZINC000396440751 410881550 /nfs/dbraw/zinc/88/15/50/410881550.db2.gz LECIOBSYTKGEGB-UBHSHLNASA-N 2 3 239.407 1.576 20 0 BDADHP C[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CC[NH+](C)CC1 ZINC000396454698 410882633 /nfs/dbraw/zinc/88/26/33/410882633.db2.gz XPUJBRGSQCXNBC-CHWSQXEVSA-N 2 3 239.407 1.306 20 0 BDADHP CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000663503286 411688459 /nfs/dbraw/zinc/68/84/59/411688459.db2.gz NHZKVQFABMDTBZ-AAVRWANBSA-N 2 3 239.407 1.338 20 0 BDADHP C[C@H]1C[C@@H](CN)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359220983 177323632 /nfs/dbraw/zinc/32/36/32/177323632.db2.gz OEVUBBWCCYRVKM-AAEUAGOBSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[C@@H](CN)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359220983 177323634 /nfs/dbraw/zinc/32/36/34/177323634.db2.gz OEVUBBWCCYRVKM-AAEUAGOBSA-N 2 3 225.380 1.045 20 0 BDADHP CC[NH2+]CC1CC[NH+](CC(C)(C)N)CC1 ZINC000261585787 535458306 /nfs/dbraw/zinc/45/83/06/535458306.db2.gz QPQQJCOMFRUCQD-UHFFFAOYSA-N 2 3 213.369 1.045 20 0 BDADHP CC1(C)CNCC[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000902393598 584584127 /nfs/dbraw/zinc/58/41/27/584584127.db2.gz QZBOCNSBMNUMAN-CHWSQXEVSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@@H](N)[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425016 584764920 /nfs/dbraw/zinc/76/49/20/584764920.db2.gz ORIBUMJJWUTFKB-NDBYEHHHSA-N 2 3 225.380 1.173 20 0 BDADHP C[C@@H](N)[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425016 584764921 /nfs/dbraw/zinc/76/49/21/584764921.db2.gz ORIBUMJJWUTFKB-NDBYEHHHSA-N 2 3 225.380 1.173 20 0 BDADHP C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CCN ZINC000903461186 584766523 /nfs/dbraw/zinc/76/65/23/584766523.db2.gz OWEMMNFNNWDYCU-CRWXNKLISA-N 2 3 239.407 1.563 20 0 BDADHP C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CCN ZINC000903461186 584766525 /nfs/dbraw/zinc/76/65/25/584766525.db2.gz OWEMMNFNNWDYCU-CRWXNKLISA-N 2 3 239.407 1.563 20 0 BDADHP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1N ZINC000903450458 584772346 /nfs/dbraw/zinc/77/23/46/584772346.db2.gz WIKXCGXXXUFBCJ-FVCCEPFGSA-N 2 3 225.380 1.173 20 0 BDADHP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1N ZINC000903450458 584772347 /nfs/dbraw/zinc/77/23/47/584772347.db2.gz WIKXCGXXXUFBCJ-FVCCEPFGSA-N 2 3 225.380 1.173 20 0 BDADHP CC[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000903450458 584772348 /nfs/dbraw/zinc/77/23/48/584772348.db2.gz WIKXCGXXXUFBCJ-FVCCEPFGSA-N 2 3 225.380 1.173 20 0 BDADHP [NH3+]CCCCCCC[NH2+][C@H]1CCNC12CCC2 ZINC000903472183 584776412 /nfs/dbraw/zinc/77/64/12/584776412.db2.gz XMPJGKXNQIXRCL-ZDUSSCGKSA-N 2 3 239.407 1.770 20 0 BDADHP C[NH2+]CC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903715877 584794429 /nfs/dbraw/zinc/79/44/29/584794429.db2.gz BDJQOBAUOYMOKG-AWEZNQCLSA-N 2 3 239.407 1.308 20 0 BDADHP C[C@@H]1C[N@H+](C[C@@H]2CCCCNC2)C[C@H]1CC[NH3+] ZINC000903784721 584800247 /nfs/dbraw/zinc/80/02/47/584800247.db2.gz QOBGCRWBTITSFO-MGPQQGTHSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1C[N@@H+](C[C@@H]2CCCCNC2)C[C@H]1CC[NH3+] ZINC000903784721 584800248 /nfs/dbraw/zinc/80/02/48/584800248.db2.gz QOBGCRWBTITSFO-MGPQQGTHSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1[NH3+] ZINC000903873749 584816211 /nfs/dbraw/zinc/81/62/11/584816211.db2.gz MDMGLMMFRIVLEY-JWURUJNWSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1N ZINC000903873749 584816212 /nfs/dbraw/zinc/81/62/12/584816212.db2.gz MDMGLMMFRIVLEY-JWURUJNWSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1N ZINC000903873749 584816213 /nfs/dbraw/zinc/81/62/13/584816213.db2.gz MDMGLMMFRIVLEY-JWURUJNWSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@H]1CNCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921017 584822992 /nfs/dbraw/zinc/82/29/92/584822992.db2.gz ZWVQSWXURXXACD-APYLGABCSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000903920405 584823153 /nfs/dbraw/zinc/82/31/53/584823153.db2.gz UPWIWZKKMSGTJM-IUKMKKQMSA-N 2 3 237.391 1.247 20 0 BDADHP C[C@@H](CC[NH3+])NCc1cccc2c1CC[NH2+]C2 ZINC000903919021 584823269 /nfs/dbraw/zinc/82/32/69/584823269.db2.gz KLEMLQBOBUGPCM-NSHDSACASA-N 2 3 233.359 1.159 20 0 BDADHP CC(C)[C@H](N)CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932996 584824789 /nfs/dbraw/zinc/82/47/89/584824789.db2.gz JIYDWGRGPMFVIN-WTUNAVPPSA-N 2 3 239.407 1.480 20 0 BDADHP C[C@@H]1C[C@@H]([NH3+])CCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931995 584825183 /nfs/dbraw/zinc/82/51/83/584825183.db2.gz KXAUTRANNGGSIF-IUKMKKQMSA-N 2 3 237.391 1.329 20 0 BDADHP C[C@@H]1C[C@@H](N)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931995 584825184 /nfs/dbraw/zinc/82/51/84/584825184.db2.gz KXAUTRANNGGSIF-IUKMKKQMSA-N 2 3 237.391 1.329 20 0 BDADHP C[C@@H]1C[C@@H](N)CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931995 584825185 /nfs/dbraw/zinc/82/51/85/584825185.db2.gz KXAUTRANNGGSIF-IUKMKKQMSA-N 2 3 237.391 1.329 20 0 BDADHP C[C@]12C[NH2+]C[C@H]1CN(CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903938012 584826337 /nfs/dbraw/zinc/82/63/37/584826337.db2.gz XKPZVCDIFPLJSY-SCXOTVEISA-N 2 3 249.402 1.058 20 0 BDADHP C[C@]1(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)CCCNC1 ZINC000904355616 584871299 /nfs/dbraw/zinc/87/12/99/584871299.db2.gz UWHQHEUYQXNNAM-AVGNSLFASA-N 2 3 225.380 1.093 20 0 BDADHP C[C@@H]1CCN(Cc2ccc(C[NH3+])cc2)C[C@@H]1C[NH3+] ZINC000904372217 584873351 /nfs/dbraw/zinc/87/33/51/584873351.db2.gz ZSSIOLDTMIPQMQ-DOMZBBRYSA-N 2 3 247.386 1.562 20 0 BDADHP C[C@@]1(CN2CCC(CC[NH3+])CC2)CCC[NH2+]C1 ZINC000904375588 584875538 /nfs/dbraw/zinc/87/55/38/584875538.db2.gz CGNXYSYUSRREFF-CQSZACIVSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@]1(C[NH+]2CCC(CC[NH3+])CC2)CCCNC1 ZINC000904375588 584875539 /nfs/dbraw/zinc/87/55/39/584875539.db2.gz CGNXYSYUSRREFF-CQSZACIVSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CC[NH2+]CC1 ZINC000904383990 584877283 /nfs/dbraw/zinc/87/72/83/584877283.db2.gz GEGXQPAFVWHFFW-GXTWGEPZSA-N 2 3 239.407 1.354 20 0 BDADHP CC(C)[C@H](CN)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410599 584879022 /nfs/dbraw/zinc/87/90/22/584879022.db2.gz PNOLQIMAPLSHCG-YNEHKIRRSA-N 2 3 227.396 1.134 20 0 BDADHP CC(C)[C@H](CN)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410599 584879023 /nfs/dbraw/zinc/87/90/23/584879023.db2.gz PNOLQIMAPLSHCG-YNEHKIRRSA-N 2 3 227.396 1.134 20 0 BDADHP C[C@]1(C[N@@H+]2CC[C@H](CC[NH3+])C2)CCCNC1 ZINC000904407288 584879169 /nfs/dbraw/zinc/87/91/69/584879169.db2.gz SKUZCIDWLMVHEF-STQMWFEESA-N 2 3 225.380 1.047 20 0 BDADHP C[C@]1(C[N@H+]2CC[C@H](CC[NH3+])C2)CCCNC1 ZINC000904407288 584879172 /nfs/dbraw/zinc/87/91/72/584879172.db2.gz SKUZCIDWLMVHEF-STQMWFEESA-N 2 3 225.380 1.047 20 0 BDADHP C[C@]1(CN2CC[C@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904407288 584879174 /nfs/dbraw/zinc/87/91/74/584879174.db2.gz SKUZCIDWLMVHEF-STQMWFEESA-N 2 3 225.380 1.047 20 0 BDADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000904420175 584881970 /nfs/dbraw/zinc/88/19/70/584881970.db2.gz FONRKCDTUKBYJQ-OLMTUDMXSA-N 2 3 249.402 1.058 20 0 BDADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000904420175 584881971 /nfs/dbraw/zinc/88/19/71/584881971.db2.gz FONRKCDTUKBYJQ-OLMTUDMXSA-N 2 3 249.402 1.058 20 0 BDADHP [NH3+]CCc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817949135 586846994 /nfs/dbraw/zinc/84/69/94/586846994.db2.gz OGZXOVOZEZBCML-CABCVRRESA-N 2 3 247.386 1.405 20 0 BDADHP C[C@H]1CC[N@H+](CCCCCCC[NH3+])C[C@H]1CN ZINC000842478547 588029742 /nfs/dbraw/zinc/02/97/42/588029742.db2.gz KQBOTJMBYJYMGJ-UONOGXRCSA-N 2 3 241.423 1.812 20 0 BDADHP C[C@H]1CC[N@@H+](CCCCCCC[NH3+])C[C@H]1CN ZINC000842478547 588029744 /nfs/dbraw/zinc/02/97/44/588029744.db2.gz KQBOTJMBYJYMGJ-UONOGXRCSA-N 2 3 241.423 1.812 20 0 BDADHP C[C@H]1CCN(CCCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000842478547 588029746 /nfs/dbraw/zinc/02/97/46/588029746.db2.gz KQBOTJMBYJYMGJ-UONOGXRCSA-N 2 3 241.423 1.812 20 0 BDADHP C[C@H](C[C@H]1CCC[NH2+]1)NCCCCCC[NH3+] ZINC000843128424 588085292 /nfs/dbraw/zinc/08/52/92/588085292.db2.gz JHUCHZISHXIPPF-CHWSQXEVSA-N 2 3 227.396 1.626 20 0 BDADHP C[C@@H]1CN(CCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000846217707 588260278 /nfs/dbraw/zinc/26/02/78/588260278.db2.gz MMLLYFWTFRKPJX-VXGBXAGGSA-N 2 3 213.369 1.175 20 0 BDADHP CC(C)[C@H]([NH3+])CCN(C)CCCCCC[NH3+] ZINC000846217199 588260516 /nfs/dbraw/zinc/26/05/16/588260516.db2.gz CMQWKYOHHVWUSY-CYBMUJFWSA-N 2 3 229.412 1.811 20 0 BDADHP CC1(C)CNCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000846220586 588261430 /nfs/dbraw/zinc/26/14/30/588261430.db2.gz LWLMJFHOOJKZDM-GFCCVEGCSA-N 2 3 227.396 1.483 20 0 BDADHP CC(C)[C@H](CN)C[NH2+]CCCCCC[NH3+] ZINC000873214092 589997203 /nfs/dbraw/zinc/99/72/03/589997203.db2.gz XOOWDRPTNHAREN-GFCCVEGCSA-N 2 3 215.385 1.326 20 0 BDADHP C[C@H]([NH2+][C@H]1CCCNCC1)C1CC[NH2+]CC1 ZINC000873220688 589998909 /nfs/dbraw/zinc/99/89/09/589998909.db2.gz RIBFEMFVJCNJEI-AAEUAGOBSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H](NCC[NH2+]C(C)(C)C)C1CC[NH2+]CC1 ZINC000873220866 589999643 /nfs/dbraw/zinc/99/96/43/589999643.db2.gz VHSKYGBLYDCCTK-NSHDSACASA-N 2 3 227.396 1.352 20 0 BDADHP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000229938009 640997240 /nfs/dbraw/zinc/99/72/40/640997240.db2.gz VFNQAVYEZPNQMP-KGLIPLIRSA-N 2 3 239.407 1.435 20 0 BDADHP C(C[NH2+][C@H]1CCNC12CCC2)C[C@H]1CCC[NH2+]1 ZINC000925710716 646434488 /nfs/dbraw/zinc/43/44/88/646434488.db2.gz QRBNPCFDQLESOH-OLZOCXBDSA-N 2 3 237.391 1.393 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCNC12CCC2 ZINC000925795800 646487198 /nfs/dbraw/zinc/48/71/98/646487198.db2.gz QICPRYLDGITOED-JHJVBQTASA-N 2 3 237.391 1.106 20 0 BDADHP C[NH+]1CCC(CC[N@H+]2CC[C@@](C)(N)C2)CC1 ZINC001204762711 963367297 /nfs/dbraw/zinc/36/72/97/963367297.db2.gz BGNVKTYZZRWDIF-CYBMUJFWSA-N 2 3 225.380 1.141 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246579275 972917699 /nfs/dbraw/zinc/91/76/99/972917699.db2.gz UAQNBBQHRXTQQA-MGPQQGTHSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCN1 ZINC001246579275 972917712 /nfs/dbraw/zinc/91/77/12/972917712.db2.gz UAQNBBQHRXTQQA-MGPQQGTHSA-N 2 3 239.407 1.578 20 0 BDADHP [NH3+]CC1(NC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256856784 970996890 /nfs/dbraw/zinc/99/68/90/970996890.db2.gz RKNUXFRHHCACLA-UHFFFAOYSA-N 2 3 246.358 1.131 20 0 BDADHP CC[NH2+]CCNC1CCC2(CC[NH2+]CC2)CC1 ZINC001246274568 972253444 /nfs/dbraw/zinc/25/34/44/972253444.db2.gz XQDCLHHQCSBWMF-UHFFFAOYSA-N 2 3 239.407 1.498 20 0 BDADHP [NH3+]CCCCC[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222237720 972421579 /nfs/dbraw/zinc/42/15/79/972421579.db2.gz QWAAYVBNHVNDQM-CYBMUJFWSA-N 2 3 225.380 1.333 20 0 BDADHP [NH3+]CCCCC[N@H+]1CCC[C@@]12CCCNC2 ZINC001222237720 972421592 /nfs/dbraw/zinc/42/15/92/972421592.db2.gz QWAAYVBNHVNDQM-CYBMUJFWSA-N 2 3 225.380 1.333 20 0 BDADHP [NH3+]CCCCCN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265491 972431901 /nfs/dbraw/zinc/43/19/01/972431901.db2.gz UQPGYWWHRZXRJU-AWEZNQCLSA-N 2 3 239.407 1.581 20 0 BDADHP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1C[NH3+] ZINC000708888768 960083234 /nfs/dbraw/zinc/08/32/34/960083234.db2.gz JTQYIAWLINPYRS-IZXDZPFWSA-N 2 3 237.391 1.138 20 0 BDADHP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1C[NH3+] ZINC000708888768 960083245 /nfs/dbraw/zinc/08/32/45/960083245.db2.gz JTQYIAWLINPYRS-IZXDZPFWSA-N 2 3 237.391 1.138 20 0 BDADHP C[NH+]1CCC(CC[N@@H+]2CC[C@@](C)(N)C2)CC1 ZINC001204762711 963367293 /nfs/dbraw/zinc/36/72/93/963367293.db2.gz BGNVKTYZZRWDIF-CYBMUJFWSA-N 2 3 225.380 1.141 20 0 BDADHP C[C@@H](CN)C[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168303731 964398450 /nfs/dbraw/zinc/39/84/50/964398450.db2.gz AUGVROVTSDQYBA-HIFPTAJRSA-N 2 3 227.396 1.386 20 0 BDADHP C[C@@H](CN)C[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168303731 964398460 /nfs/dbraw/zinc/39/84/60/964398460.db2.gz AUGVROVTSDQYBA-HIFPTAJRSA-N 2 3 227.396 1.386 20 0 BDADHP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1N ZINC001206037862 968002384 /nfs/dbraw/zinc/00/23/84/968002384.db2.gz YIORQBNFWIZVNZ-JHJVBQTASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1N ZINC001206037862 968002394 /nfs/dbraw/zinc/00/23/94/968002394.db2.gz YIORQBNFWIZVNZ-JHJVBQTASA-N 2 3 225.380 1.045 20 0 BDADHP NC[C@H]1CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001206606363 968413212 /nfs/dbraw/zinc/41/32/12/968413212.db2.gz LUHZGRSDUTYJQE-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP NC[C@H]1CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001206606363 968413217 /nfs/dbraw/zinc/41/32/17/968413217.db2.gz LUHZGRSDUTYJQE-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP C1C[C@@H]2[C@H](CC[N@@H+]2[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)N1 ZINC001246627909 973045207 /nfs/dbraw/zinc/04/52/07/973045207.db2.gz AWRPRQATZMDUOJ-LXTVHRRPSA-N 2 3 249.402 1.345 20 0 BDADHP C1C[C@@H]2[C@H](CC[N@H+]2[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)N1 ZINC001246627909 973045223 /nfs/dbraw/zinc/04/52/23/973045223.db2.gz AWRPRQATZMDUOJ-LXTVHRRPSA-N 2 3 249.402 1.345 20 0 BDADHP C[NH2+]CCCN1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296861 978316434 /nfs/dbraw/zinc/31/64/34/978316434.db2.gz VGHPSRSBWPGTHJ-GFCCVEGCSA-N 2 3 213.369 1.047 20 0 BDADHP C[C@@]1([NH3+])CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC001205257208 979755318 /nfs/dbraw/zinc/75/53/18/979755318.db2.gz UAXJDMVAHBAVBM-ZIAGYGMSSA-N 2 3 239.407 1.579 20 0 BDADHP C[C@@H]1[C@@H](CN)CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001205905228 983130525 /nfs/dbraw/zinc/13/05/25/983130525.db2.gz ZJNWWDAJWTXZHG-TZMCWYRMSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1[C@@H](CN)CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001205905228 983130537 /nfs/dbraw/zinc/13/05/37/983130537.db2.gz ZJNWWDAJWTXZHG-TZMCWYRMSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]CC2)CCN1 ZINC001246093859 987402254 /nfs/dbraw/zinc/40/22/54/987402254.db2.gz LFZPYVVNLOGEGO-RDBSUJKOSA-N 2 3 239.407 1.496 20 0 BDADHP CCN1CCC([NH2+]C[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246098976 987413980 /nfs/dbraw/zinc/41/39/80/987413980.db2.gz QSHYTQBWPDFXLD-QWHCGFSZSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1CC[C@@H](N[C@@H]2CCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246137613 987494803 /nfs/dbraw/zinc/49/48/03/987494803.db2.gz JMKMVQNOKFLQLJ-JHJVBQTASA-N 2 3 237.391 1.249 20 0 BDADHP CC[NH+](CC)CCCC[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246163128 987527516 /nfs/dbraw/zinc/52/75/16/987527516.db2.gz VUWYXLUYXKXZEB-ZIAGYGMSSA-N 2 3 241.423 1.839 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CCN1 ZINC001246176272 987542115 /nfs/dbraw/zinc/54/21/15/987542115.db2.gz OBNXBXRUVVZXIT-MGPQQGTHSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCN1 ZINC001246176272 987542122 /nfs/dbraw/zinc/54/21/22/987542122.db2.gz OBNXBXRUVVZXIT-MGPQQGTHSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CCN1 ZINC001246176270 987544727 /nfs/dbraw/zinc/54/47/27/987544727.db2.gz OBNXBXRUVVZXIT-MCIONIFRSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCN1 ZINC001246176270 987544732 /nfs/dbraw/zinc/54/47/32/987544732.db2.gz OBNXBXRUVVZXIT-MCIONIFRSA-N 2 3 239.407 1.448 20 0 BDADHP C(NC1CCC2(CC[NH2+]CC2)CC1)[C@@H]1CC[NH2+]1 ZINC001246199475 987596484 /nfs/dbraw/zinc/59/64/84/987596484.db2.gz KJDJRIHCWHTEJL-ZDUSSCGKSA-N 2 3 237.391 1.250 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CCN1 ZINC001246224043 987623207 /nfs/dbraw/zinc/62/32/07/987623207.db2.gz MTDILRVQCFDAGN-NDBYEHHHSA-N 2 3 225.380 1.234 20 0 BDADHP CCC[NH2+]CCN[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246272723 987666704 /nfs/dbraw/zinc/66/67/04/987666704.db2.gz VEQSBEKCWUQOQB-CYBMUJFWSA-N 2 3 239.407 1.498 20 0 BDADHP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CCN1 ZINC001246366434 987771985 /nfs/dbraw/zinc/77/19/85/987771985.db2.gz IXQHHNKHHIOLSG-AAVRWANBSA-N 2 3 239.407 1.589 20 0 BDADHP CCC1(CN[C@H]2CCCC[NH2+]C2)CC[NH2+]CC1 ZINC001246421828 987793744 /nfs/dbraw/zinc/79/37/44/987793744.db2.gz IRHHVNUXSIGLPS-ZDUSSCGKSA-N 2 3 239.407 1.498 20 0 BDADHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246443588 987801573 /nfs/dbraw/zinc/80/15/73/987801573.db2.gz HLVNLCLIMRHSHD-OLZOCXBDSA-N 2 3 239.407 1.448 20 0 BDADHP CC[NH+](CC)CCC[C@@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246443588 987801576 /nfs/dbraw/zinc/80/15/76/987801576.db2.gz HLVNLCLIMRHSHD-OLZOCXBDSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)CCN1 ZINC001246452876 987810668 /nfs/dbraw/zinc/81/06/68/987810668.db2.gz YBUIGDWUQATLNL-MQYQWHSLSA-N 2 3 239.407 1.482 20 0 BDADHP CN[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246459351 987816921 /nfs/dbraw/zinc/81/69/21/987816921.db2.gz FXTBPYYMBAUWPP-SYQHCUMBSA-N 2 3 237.391 1.249 20 0 BDADHP CC[C@H]1C[C@@H](N2CCC(C[NH3+])CC2)CC[NH2+]1 ZINC001246537815 987896898 /nfs/dbraw/zinc/89/68/98/987896898.db2.gz LXLFFNMBOODNMC-STQMWFEESA-N 2 3 225.380 1.188 20 0 BDADHP [NH3+]CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246538686 987897476 /nfs/dbraw/zinc/89/74/76/987897476.db2.gz PCVHEOCRTYJIIE-WDNDVIMCSA-N 2 3 237.391 1.330 20 0 BDADHP [NH3+]CC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246538686 987897481 /nfs/dbraw/zinc/89/74/81/987897481.db2.gz PCVHEOCRTYJIIE-WDNDVIMCSA-N 2 3 237.391 1.330 20 0 BDADHP C[C@H]1CC[N@@H+](C2CCNCC2)CC[C@H]1C[NH3+] ZINC001246553968 987959897 /nfs/dbraw/zinc/95/98/97/987959897.db2.gz ALZIPVXPWIIPRF-RYUDHWBXSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1CC[N@H+](C2CCNCC2)CC[C@H]1C[NH3+] ZINC001246553968 987959913 /nfs/dbraw/zinc/95/99/13/987959913.db2.gz ALZIPVXPWIIPRF-RYUDHWBXSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[C@@H](N2CCC(CC[NH3+])CC2)CC[NH2+]1 ZINC001246580755 988111184 /nfs/dbraw/zinc/11/11/84/988111184.db2.gz OPCZSBFMLVZYFK-AAEUAGOBSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@H]1C[C@@H]([NH+]2CCC(CC[NH3+])CC2)CCN1 ZINC001246580755 988111196 /nfs/dbraw/zinc/11/11/96/988111196.db2.gz OPCZSBFMLVZYFK-AAEUAGOBSA-N 2 3 225.380 1.188 20 0 BDADHP CC1(C[NH3+])CN([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246587922 988154217 /nfs/dbraw/zinc/15/42/17/988154217.db2.gz AQFFCRDRSLIFMV-GFCCVEGCSA-N 2 3 237.391 1.189 20 0 BDADHP C[NH2+]C1CCC([N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001246595250 988186674 /nfs/dbraw/zinc/18/66/74/988186674.db2.gz SJROPDBXVPVFRE-HSBZDZAISA-N 2 3 239.407 1.578 20 0 BDADHP C[NH2+]C1CCC([N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001246595250 988186689 /nfs/dbraw/zinc/18/66/89/988186689.db2.gz SJROPDBXVPVFRE-HSBZDZAISA-N 2 3 239.407 1.578 20 0 BDADHP NC[C@@H]1CCCC[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593744 988190130 /nfs/dbraw/zinc/19/01/30/988190130.db2.gz NTHQSXJJANKBBB-FQUUOJAGSA-N 2 3 237.391 1.045 20 0 BDADHP NC[C@@H]1CCCC[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593744 988190140 /nfs/dbraw/zinc/19/01/40/988190140.db2.gz NTHQSXJJANKBBB-FQUUOJAGSA-N 2 3 237.391 1.045 20 0 BDADHP CC[C@@H]1C[C@@H](N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246661517 988398477 /nfs/dbraw/zinc/39/84/77/988398477.db2.gz YBSKBUWEFQOCLM-QYVRYILPSA-N 2 3 237.391 1.185 20 0 BDADHP C[NH2+]CC[C@H](C)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001246829736 988521981 /nfs/dbraw/zinc/52/19/81/988521981.db2.gz DDVIFXRULCXZIM-GXTWGEPZSA-N 2 3 239.407 1.448 20 0 BDADHP CNCC[C@H](C)[N@H+](C)C1CCC([NH2+]C)CC1 ZINC001246914506 988706016 /nfs/dbraw/zinc/70/60/16/988706016.db2.gz CQRCCLGPWVZOKZ-HIFPTAJRSA-N 2 3 227.396 1.447 20 0 BDADHP CNCC[C@H](C)[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001246914506 988706032 /nfs/dbraw/zinc/70/60/32/988706032.db2.gz CQRCCLGPWVZOKZ-HIFPTAJRSA-N 2 3 227.396 1.447 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000093215628 343151319 /nfs/dbraw/zinc/15/13/19/343151319.db2.gz LDTUMMJGFJDURF-KGLIPLIRSA-N 2 3 239.407 1.578 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000634733574 344113976 /nfs/dbraw/zinc/11/39/76/344113976.db2.gz IVAVIEFTWXKPSE-BPCQOVAHSA-N 2 3 239.407 1.624 20 0 BDADHP CC(C)[C@H](CN)C[NH+]1CCC(CC[NH3+])CC1 ZINC000634996899 345186762 /nfs/dbraw/zinc/18/67/62/345186762.db2.gz YJCQUGKOJLZSJZ-CYBMUJFWSA-N 2 3 227.396 1.278 20 0 BDADHP CC(C)[C@H](C[NH3+])CN1CCC(CC[NH3+])CC1 ZINC000634996899 345186764 /nfs/dbraw/zinc/18/67/64/345186764.db2.gz YJCQUGKOJLZSJZ-CYBMUJFWSA-N 2 3 227.396 1.278 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008119 345215858 /nfs/dbraw/zinc/21/58/58/345215858.db2.gz ZODVFCOJFHUBRP-XDQVBPFNSA-N 2 3 239.407 1.611 20 0 BDADHP C[C@@H]1C[C@H](CN2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC000622004224 370653743 /nfs/dbraw/zinc/65/37/43/370653743.db2.gz MCEAGRRZZKZLQH-AAVRWANBSA-N 2 3 237.391 1.188 20 0 BDADHP C[C@H]([NH3+])[C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420295639 192203975 /nfs/dbraw/zinc/20/39/75/192203975.db2.gz VVRVTZAUYHREIJ-BFHYXJOUSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420295639 192203977 /nfs/dbraw/zinc/20/39/77/192203977.db2.gz VVRVTZAUYHREIJ-BFHYXJOUSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420295639 192203978 /nfs/dbraw/zinc/20/39/78/192203978.db2.gz VVRVTZAUYHREIJ-BFHYXJOUSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000420296929 192205033 /nfs/dbraw/zinc/20/50/33/192205033.db2.gz XQWYQOWIZPLGQT-AGIUHOORSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1N ZINC000420296929 192205034 /nfs/dbraw/zinc/20/50/34/192205034.db2.gz XQWYQOWIZPLGQT-AGIUHOORSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1N ZINC000420296929 192205035 /nfs/dbraw/zinc/20/50/35/192205035.db2.gz XQWYQOWIZPLGQT-AGIUHOORSA-N 2 3 225.380 1.045 20 0 BDADHP CCN(CC)CCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420292130 192203363 /nfs/dbraw/zinc/20/33/63/192203363.db2.gz LIAYPWNJKPNBJM-CYBMUJFWSA-N 2 3 241.423 1.778 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423477149 192788419 /nfs/dbraw/zinc/78/84/19/192788419.db2.gz JODIZFSLRXAPGT-MJBXVCDLSA-N 2 3 239.407 1.626 20 0 BDADHP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000575935452 365421703 /nfs/dbraw/zinc/42/17/03/365421703.db2.gz UBRZNAFSSVLFIU-ZIAGYGMSSA-N 2 3 233.359 1.505 20 0 BDADHP N[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000580903463 367203422 /nfs/dbraw/zinc/20/34/22/367203422.db2.gz TWKHWTWNZSTCOA-RNJOBUHISA-N 2 3 225.380 1.363 20 0 BDADHP C[C@@H](NCC1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386039355 367901584 /nfs/dbraw/zinc/90/15/84/367901584.db2.gz SJVKPKYWFFFOCI-OCCSQVGLSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@H](NCC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000566908997 326092863 /nfs/dbraw/zinc/09/28/63/326092863.db2.gz WBQVDPGBACOUTH-AAEUAGOBSA-N 2 3 225.380 1.106 20 0 BDADHP [NH3+][C@@]12CCC[C@H]1CN(CCC1CC[NH2+]CC1)C2 ZINC000621781414 370530795 /nfs/dbraw/zinc/53/07/95/370530795.db2.gz DQOVXESFPVHOOA-UONOGXRCSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H](NCCC[C@H]2CCC[NH2+]2)C1 ZINC000647547051 384737174 /nfs/dbraw/zinc/73/71/74/384737174.db2.gz LXTGMCMRJUYYLJ-YNEHKIRRSA-N 2 3 225.380 1.106 20 0 BDADHP C1[NH2+]C[C@H]2CC[C@@H](N[C@H]3CCCC[NH2+]C3)C[C@@H]12 ZINC000647548186 384749378 /nfs/dbraw/zinc/74/93/78/384749378.db2.gz XZFBANQLQCKPNT-RQJABVFESA-N 2 3 237.391 1.106 20 0 BDADHP CN(CCC1CC[NH2+]CC1)CC(C)(C)C[NH3+] ZINC000359224013 385073279 /nfs/dbraw/zinc/07/32/79/385073279.db2.gz SKKOQWQITBLGAG-UHFFFAOYSA-N 2 3 227.396 1.293 20 0 BDADHP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC[C@H]1N ZINC000647497725 385408359 /nfs/dbraw/zinc/40/83/59/385408359.db2.gz SNSADKUQHBWWJJ-REWJHTLYSA-N 2 3 239.407 1.434 20 0 BDADHP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC[C@H]1N ZINC000647497725 385408360 /nfs/dbraw/zinc/40/83/60/385408360.db2.gz SNSADKUQHBWWJJ-REWJHTLYSA-N 2 3 239.407 1.434 20 0 BDADHP CC[C@@H]1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC[C@H]1[NH3+] ZINC000647497725 385408362 /nfs/dbraw/zinc/40/83/62/385408362.db2.gz SNSADKUQHBWWJJ-REWJHTLYSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+]CCCN1CCCC[C@H]1C ZINC000336714525 385812617 /nfs/dbraw/zinc/81/26/17/385812617.db2.gz PCJAMCARSXPKSC-ZIAGYGMSSA-N 2 3 241.423 1.968 20 0 BDADHP CC[NH2+][C@H](C)CNC1CCC(C[NH3+])CC1 ZINC000414952105 385823857 /nfs/dbraw/zinc/82/38/57/385823857.db2.gz IBNZCPGZLTXPKC-VOMCLLRMSA-N 2 3 213.369 1.092 20 0 BDADHP C[C@@H]1CN(CCCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647844877 385894888 /nfs/dbraw/zinc/89/48/88/385894888.db2.gz YOWRHUNDKFGXFH-OCCSQVGLSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](C[C@@H]1CCC[NH2+]1)NCCC[C@H]1CCC[NH2+]1 ZINC000414964717 385908839 /nfs/dbraw/zinc/90/88/39/385908839.db2.gz MRZAFJYGDSKQNT-RDBSUJKOSA-N 2 3 239.407 1.639 20 0 BDADHP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC000342098410 385927936 /nfs/dbraw/zinc/92/79/36/385927936.db2.gz IHDKJKQWHYEEPL-AAVRWANBSA-N 2 3 237.391 1.045 20 0 BDADHP NCC1(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000414662647 386102933 /nfs/dbraw/zinc/10/29/33/386102933.db2.gz ZLWHZOCEOBVYLV-ZDUSSCGKSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@@H]1C[C@@H](C[N@H+](C)[C@H]2CCCNCC2)CC[NH2+]1 ZINC000414753676 386388606 /nfs/dbraw/zinc/38/86/06/386388606.db2.gz QPLUXLMVDWURAZ-RDBSUJKOSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1C[C@@H](C[N@@H+](C)[C@H]2CCCNCC2)CC[NH2+]1 ZINC000414753676 386388607 /nfs/dbraw/zinc/38/86/07/386388607.db2.gz QPLUXLMVDWURAZ-RDBSUJKOSA-N 2 3 239.407 1.448 20 0 BDADHP [NH3+]CC1(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000414775039 386473526 /nfs/dbraw/zinc/47/35/26/386473526.db2.gz GBARUHLFJMYRAF-QWHCGFSZSA-N 2 3 237.391 1.047 20 0 BDADHP NC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000414803748 386598501 /nfs/dbraw/zinc/59/85/01/386598501.db2.gz NZDIFYBNOWLVKH-CHWSQXEVSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@@H]1C[C@H](CN[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000415073550 386564273 /nfs/dbraw/zinc/56/42/73/386564273.db2.gz NPQCICIGZDHHSX-JHJVBQTASA-N 2 3 225.380 1.106 20 0 BDADHP CC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC[NH2+]CC1 ZINC000423337824 387186269 /nfs/dbraw/zinc/18/62/69/387186269.db2.gz UEAXUOPGEDXRJP-CHWSQXEVSA-N 2 3 239.407 1.483 20 0 BDADHP C[C@@H](CCCC[NH3+])[NH2+]C[C@]1(C)CCCNC1 ZINC000423341754 387189307 /nfs/dbraw/zinc/18/93/07/387189307.db2.gz MUUSXMWUHDPBOG-QWHCGFSZSA-N 2 3 227.396 1.483 20 0 BDADHP CC[C@H](NCC1(C)CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423340232 387190806 /nfs/dbraw/zinc/19/08/06/387190806.db2.gz VQXQCJBKPYEOSD-STQMWFEESA-N 2 3 239.407 1.496 20 0 BDADHP CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCCN1 ZINC000423340232 387190812 /nfs/dbraw/zinc/19/08/12/387190812.db2.gz VQXQCJBKPYEOSD-STQMWFEESA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H]([NH3+])C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000336312084 387140164 /nfs/dbraw/zinc/14/01/64/387140164.db2.gz AEAHWMFGYUHQQB-NEPJUHHUSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000336312084 387140167 /nfs/dbraw/zinc/14/01/67/387140167.db2.gz AEAHWMFGYUHQQB-NEPJUHHUSA-N 2 3 225.380 1.045 20 0 BDADHP NCC[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000352478591 387246509 /nfs/dbraw/zinc/24/65/09/387246509.db2.gz YMHDCLWHHKEYFO-ZDUSSCGKSA-N 2 3 225.380 1.189 20 0 BDADHP NCC[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000352478591 387246511 /nfs/dbraw/zinc/24/65/11/387246511.db2.gz YMHDCLWHHKEYFO-ZDUSSCGKSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423426965 387252031 /nfs/dbraw/zinc/25/20/31/387252031.db2.gz PZPGYXODMVLIRH-FDYHWXHSSA-N 2 3 227.396 1.467 20 0 BDADHP CCNCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643498830 387277569 /nfs/dbraw/zinc/27/75/69/387277569.db2.gz HFFJLQHPEIZRPN-LBPRGKRZSA-N 2 3 227.396 1.306 20 0 BDADHP NC[C@H]1CCCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540803 387366635 /nfs/dbraw/zinc/36/66/35/387366635.db2.gz QRKNRBXFDSRYEX-ZIAGYGMSSA-N 2 3 237.391 1.403 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423477146 387325459 /nfs/dbraw/zinc/32/54/59/387325459.db2.gz JODIZFSLRXAPGT-BFHYXJOUSA-N 2 3 239.407 1.626 20 0 BDADHP C[C@H]1CCNCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000422778064 387675544 /nfs/dbraw/zinc/67/55/44/387675544.db2.gz HBJUXSHLKPYTOV-QWHCGFSZSA-N 2 3 227.396 1.306 20 0 BDADHP C[C@H]([NH3+])C[C@H](C)NCc1cccc(C[NH+](C)C)c1 ZINC000422813904 387710889 /nfs/dbraw/zinc/71/08/89/387710889.db2.gz YXEPZSZBNWFPIF-STQMWFEESA-N 2 3 249.402 1.964 20 0 BDADHP CCCN1CC[C@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422977310 387789009 /nfs/dbraw/zinc/78/90/09/387789009.db2.gz WQFYUERHUQCIQZ-CHWSQXEVSA-N 2 3 227.396 1.435 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000423037435 387851551 /nfs/dbraw/zinc/85/15/51/387851551.db2.gz BQWGHCUFXTXQEW-NWDGAFQWSA-N 2 3 227.396 1.434 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423170321 387957124 /nfs/dbraw/zinc/95/71/24/387957124.db2.gz LPGAUAPLKRVLMD-AVGNSLFASA-N 2 3 227.396 1.434 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423170321 387957129 /nfs/dbraw/zinc/95/71/29/387957129.db2.gz LPGAUAPLKRVLMD-AVGNSLFASA-N 2 3 227.396 1.434 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423255810 388036399 /nfs/dbraw/zinc/03/63/99/388036399.db2.gz AUBRGMUEMHECKU-MELADBBJSA-N 2 3 239.407 1.483 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423255806 388036595 /nfs/dbraw/zinc/03/65/95/388036595.db2.gz AUBRGMUEMHECKU-HZSPNIEDSA-N 2 3 239.407 1.483 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423255811 388037127 /nfs/dbraw/zinc/03/71/27/388037127.db2.gz AUBRGMUEMHECKU-RDBSUJKOSA-N 2 3 239.407 1.483 20 0 BDADHP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000089145846 135530228 /nfs/dbraw/zinc/53/02/28/135530228.db2.gz RZKYPVJEDZUUPK-ZIAGYGMSSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](NCCC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000650762010 410408850 /nfs/dbraw/zinc/40/88/50/410408850.db2.gz QBHNGWLGQXIFGS-GXTWGEPZSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762216 410412886 /nfs/dbraw/zinc/41/28/86/410412886.db2.gz XGCKHGBEUXVNLC-TZMCWYRMSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@@H]([NH2+]C[C@H]1CCCNC1)C1CC[NH+](C)CC1 ZINC000396454699 410882222 /nfs/dbraw/zinc/88/22/22/410882222.db2.gz XPUJBRGSQCXNBC-OLZOCXBDSA-N 2 3 239.407 1.306 20 0 BDADHP CC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CC[NH2+]CC1 ZINC000656193035 411198804 /nfs/dbraw/zinc/19/88/04/411198804.db2.gz JHZIRULJWCYBQN-NEPJUHHUSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCC[NH2+]1 ZINC000656199678 411203375 /nfs/dbraw/zinc/20/33/75/411203375.db2.gz AWKZURVZDGZXLY-IGQOVBAYSA-N 2 3 239.407 1.447 20 0 BDADHP CC(C)C[C@H]([NH3+])CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666955345 487916704 /nfs/dbraw/zinc/91/67/04/487916704.db2.gz ATPBXLZAWSASMQ-NWDGAFQWSA-N 2 3 225.380 1.092 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+]CCCCCC[NH3+])C1 ZINC000902391225 584582027 /nfs/dbraw/zinc/58/20/27/584582027.db2.gz FQTUEPUSMQEPBL-ZDUSSCGKSA-N 2 3 241.423 1.873 20 0 BDADHP C[C@@H]([NH2+][C@H]1CNCC1(C)C)C1CC[NH+](C)CC1 ZINC000902449081 584605868 /nfs/dbraw/zinc/60/58/68/584605868.db2.gz LUZDHJHXEXDGDO-YPMHNXCESA-N 2 3 239.407 1.304 20 0 BDADHP [NH3+][C@@H]1CC[C@H](CN2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903453720 584772825 /nfs/dbraw/zinc/77/28/25/584772825.db2.gz JRQYZUMSUZHEPW-MJBXVCDLSA-N 2 3 237.391 1.189 20 0 BDADHP [NH3+]CC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903713113 584793722 /nfs/dbraw/zinc/79/37/22/584793722.db2.gz FLKLXMXAPFKEQR-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000903843609 584807643 /nfs/dbraw/zinc/80/76/43/584807643.db2.gz OKMPBCPDQWNQJT-MJBXVCDLSA-N 2 3 237.391 1.188 20 0 BDADHP N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000903843609 584807644 /nfs/dbraw/zinc/80/76/44/584807644.db2.gz OKMPBCPDQWNQJT-MJBXVCDLSA-N 2 3 237.391 1.188 20 0 BDADHP CNC[C@@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873523 584815912 /nfs/dbraw/zinc/81/59/12/584815912.db2.gz JBWFXBXASMWHBN-GSPSYOTPSA-N 2 3 237.391 1.201 20 0 BDADHP CNC[C@@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873523 584815913 /nfs/dbraw/zinc/81/59/13/584815913.db2.gz JBWFXBXASMWHBN-GSPSYOTPSA-N 2 3 237.391 1.201 20 0 BDADHP C[C@@H]1CNCC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921018 584822988 /nfs/dbraw/zinc/82/29/88/584822988.db2.gz ZWVQSWXURXXACD-JWURUJNWSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@@H]1CC[C@@H](NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000903934420 584825757 /nfs/dbraw/zinc/82/57/57/584825757.db2.gz GUPQGTSLGDGGEW-RKFYDKJMSA-N 2 3 237.391 1.247 20 0 BDADHP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904299706 584860460 /nfs/dbraw/zinc/86/04/60/584860460.db2.gz MDDHFADAUOGDAY-IUODEOHRSA-N 2 3 247.386 1.705 20 0 BDADHP C[C@@]1(C[NH2+][C@H]2CC23CC[NH2+]CC3)CCCNC1 ZINC000904355415 584870667 /nfs/dbraw/zinc/87/06/67/584870667.db2.gz RGUDYMUMFXCAMB-QWHCGFSZSA-N 2 3 237.391 1.108 20 0 BDADHP C[C@@]1(CN[C@H]2CC23CC[NH2+]CC3)CCC[NH2+]C1 ZINC000904355415 584870668 /nfs/dbraw/zinc/87/06/68/584870668.db2.gz RGUDYMUMFXCAMB-QWHCGFSZSA-N 2 3 237.391 1.108 20 0 BDADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817948557 586847103 /nfs/dbraw/zinc/84/71/03/586847103.db2.gz IAQBQBUZAIGQRL-VXGBXAGGSA-N 2 3 235.375 1.403 20 0 BDADHP C[N@H+](C[C@@H]1CCCNC1)C1CCC([NH3+])CC1 ZINC000843055918 588077559 /nfs/dbraw/zinc/07/75/59/588077559.db2.gz RYBHDTVYCJLTPX-PNESKVBLSA-N 2 3 225.380 1.188 20 0 BDADHP C[N@@H+](C[C@@H]1CCCNC1)C1CCC([NH3+])CC1 ZINC000843055918 588077561 /nfs/dbraw/zinc/07/75/61/588077561.db2.gz RYBHDTVYCJLTPX-PNESKVBLSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843344308 588101901 /nfs/dbraw/zinc/10/19/01/588101901.db2.gz VCWUSZXJDJFULE-GHMZBOCLSA-N 2 3 201.358 1.221 20 0 BDADHP N[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843345359 588102094 /nfs/dbraw/zinc/10/20/94/588102094.db2.gz CLLATUSVTPGHTH-GFCCVEGCSA-N 2 3 213.369 1.319 20 0 BDADHP N[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843345359 588102095 /nfs/dbraw/zinc/10/20/95/588102095.db2.gz CLLATUSVTPGHTH-GFCCVEGCSA-N 2 3 213.369 1.319 20 0 BDADHP C[NH2+]C[C@H]1CCN(CCCCCCC[NH3+])C1 ZINC000843349266 588102447 /nfs/dbraw/zinc/10/24/47/588102447.db2.gz QBRXOKBRJRSHTL-CYBMUJFWSA-N 2 3 227.396 1.437 20 0 BDADHP C[N@@H+](CCCCCCC[NH3+])C1CC(N)C1 ZINC000843387399 588105558 /nfs/dbraw/zinc/10/55/58/588105558.db2.gz HBCXZRVMXFYZFB-UHFFFAOYSA-N 2 3 213.369 1.317 20 0 BDADHP CN(CCCCCCC[NH3+])C1CC([NH3+])C1 ZINC000843387399 588105554 /nfs/dbraw/zinc/10/55/54/588105554.db2.gz HBCXZRVMXFYZFB-UHFFFAOYSA-N 2 3 213.369 1.317 20 0 BDADHP C[N@H+](CCCCCCC[NH3+])C1CC(N)C1 ZINC000843387399 588105557 /nfs/dbraw/zinc/10/55/57/588105557.db2.gz HBCXZRVMXFYZFB-UHFFFAOYSA-N 2 3 213.369 1.317 20 0 BDADHP C[NH2+]C[C@@H]1CCN(CCCCCC[NH3+])C1 ZINC000846218204 588260798 /nfs/dbraw/zinc/26/07/98/588260798.db2.gz UIKOLWMQXUZTHQ-LBPRGKRZSA-N 2 3 213.369 1.047 20 0 BDADHP CC[C@H]1CN(CCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000846220808 588261114 /nfs/dbraw/zinc/26/11/14/588261114.db2.gz VFBBNUKNPVROSP-QWHCGFSZSA-N 2 3 227.396 1.565 20 0 BDADHP CC[C@H]1C[N@H+](CCCCCC[NH3+])CC[C@H]1N ZINC000846220808 588261115 /nfs/dbraw/zinc/26/11/15/588261115.db2.gz VFBBNUKNPVROSP-QWHCGFSZSA-N 2 3 227.396 1.565 20 0 BDADHP CC[C@H]1C[N@@H+](CCCCCC[NH3+])CC[C@H]1N ZINC000846220808 588261116 /nfs/dbraw/zinc/26/11/16/588261116.db2.gz VFBBNUKNPVROSP-QWHCGFSZSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCCCC[NH3+] ZINC000846220501 588261223 /nfs/dbraw/zinc/26/12/23/588261223.db2.gz RLARHIFASYOUIX-NEPJUHHUSA-N 2 3 213.369 1.175 20 0 BDADHP C[C@@H]1C[C@@H](CN)C[N@H+]1CCCCCC[NH3+] ZINC000846220501 588261224 /nfs/dbraw/zinc/26/12/24/588261224.db2.gz RLARHIFASYOUIX-NEPJUHHUSA-N 2 3 213.369 1.175 20 0 BDADHP C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CC[NH2+]CC1 ZINC000873220102 589998607 /nfs/dbraw/zinc/99/86/07/589998607.db2.gz JJWYPPGYZLKSOH-UHTWSYAYSA-N 2 3 225.380 1.234 20 0 BDADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256531 590011934 /nfs/dbraw/zinc/01/19/34/590011934.db2.gz OWJYJVBLFQCJDR-DLOVCJGASA-N 2 3 248.374 1.237 20 0 BDADHP C[C@@H](N[C@@H](C)C1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000873271453 590016011 /nfs/dbraw/zinc/01/60/11/590016011.db2.gz IFYDKCZDRMXBAK-DMDPSCGWSA-N 2 3 225.380 1.105 20 0 BDADHP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H]1CCCN1 ZINC000873271453 590016013 /nfs/dbraw/zinc/01/60/13/590016013.db2.gz IFYDKCZDRMXBAK-DMDPSCGWSA-N 2 3 225.380 1.105 20 0 BDADHP CC1(C)[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H]2CCCN[C@@H]21 ZINC000925727182 634524778 /nfs/dbraw/zinc/52/47/78/634524778.db2.gz NEXJEFOPYPHRQE-NJMOYASZSA-N 2 3 237.391 1.090 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000925794397 635329732 /nfs/dbraw/zinc/32/97/32/635329732.db2.gz LLUPKDKEHUVZHP-RQJABVFESA-N 2 3 239.407 1.339 20 0 BDADHP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCNC2)CC1 ZINC000925862211 635559771 /nfs/dbraw/zinc/55/97/71/635559771.db2.gz YIACRBVWHCNSGF-MOKVOYLWSA-N 2 3 237.391 1.345 20 0 BDADHP [NH3+]CCC[C@H](NC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925698053 634360864 /nfs/dbraw/zinc/36/08/64/634360864.db2.gz HTESZPXUBWJLPQ-HIFRSBDPSA-N 2 3 247.386 1.666 20 0 BDADHP CCN(CC)CCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000083069211 643407119 /nfs/dbraw/zinc/40/71/19/643407119.db2.gz HSEAPEAEXIEFQY-ZDUSSCGKSA-N 2 3 227.396 1.389 20 0 BDADHP CCN(CC)CCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000083069211 643407122 /nfs/dbraw/zinc/40/71/22/643407122.db2.gz HSEAPEAEXIEFQY-ZDUSSCGKSA-N 2 3 227.396 1.389 20 0 BDADHP CC[NH+](CC)CCCN1CC[C@H](CC[NH3+])C1 ZINC000083069211 643407128 /nfs/dbraw/zinc/40/71/28/643407128.db2.gz HSEAPEAEXIEFQY-ZDUSSCGKSA-N 2 3 227.396 1.389 20 0 BDADHP C[C@@H]1C[C@H](C)[N@H+](CCCCCC[NH3+])C[C@H]1CN ZINC000846222444 643652149 /nfs/dbraw/zinc/65/21/49/643652149.db2.gz CTTNEWAQPHSHPG-HZSPNIEDSA-N 2 3 241.423 1.811 20 0 BDADHP C[C@@H]1C[C@H](C)[N@@H+](CCCCCC[NH3+])C[C@H]1CN ZINC000846222444 643652154 /nfs/dbraw/zinc/65/21/54/643652154.db2.gz CTTNEWAQPHSHPG-HZSPNIEDSA-N 2 3 241.423 1.811 20 0 BDADHP C[N@H+](CCCN)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923290901 644326178 /nfs/dbraw/zinc/32/61/78/644326178.db2.gz MHZWECPWSWMVDJ-YHWZYXNKSA-N 2 3 225.380 1.188 20 0 BDADHP C[N@@H+](CCCN)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923290901 644326185 /nfs/dbraw/zinc/32/61/85/644326185.db2.gz MHZWECPWSWMVDJ-YHWZYXNKSA-N 2 3 225.380 1.188 20 0 BDADHP CN(CCC[NH3+])CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923290901 644326190 /nfs/dbraw/zinc/32/61/90/644326190.db2.gz MHZWECPWSWMVDJ-YHWZYXNKSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[N@H+](CCCNC2CC2)C[C@H]1CC[NH3+] ZINC000923429075 644421744 /nfs/dbraw/zinc/42/17/44/644421744.db2.gz OHICOPDBWKAUQW-VXGBXAGGSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[N@@H+](CCCNC2CC2)C[C@H]1CC[NH3+] ZINC000923429075 644421746 /nfs/dbraw/zinc/42/17/46/644421746.db2.gz OHICOPDBWKAUQW-VXGBXAGGSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1[NH2+]CCC[C@@H]1NCCC[C@H]1CCC[NH2+]1 ZINC000925706673 646430705 /nfs/dbraw/zinc/43/07/05/646430705.db2.gz KGQLQIADNDXELL-XQQFMLRXSA-N 2 3 225.380 1.249 20 0 BDADHP [NH3+]C[C@H]1CC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925726510 646451885 /nfs/dbraw/zinc/45/18/85/646451885.db2.gz TVPPQWMSHCQSLQ-YQFOFLOKSA-N 2 3 249.402 1.090 20 0 BDADHP NC[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879957 646529637 /nfs/dbraw/zinc/52/96/37/646529637.db2.gz NBGKTBJHKBMNDR-FVCCEPFGSA-N 2 3 225.380 1.221 20 0 BDADHP C[NH+]1CCC(C)(CN2CCC[C@H]([NH3+])CC2)CC1 ZINC001205094371 965725111 /nfs/dbraw/zinc/72/51/11/965725111.db2.gz LRAKXPGZTZLQAT-ZDUSSCGKSA-N 2 3 239.407 1.532 20 0 BDADHP C[C@@]1(N)CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001204938499 967243560 /nfs/dbraw/zinc/24/35/60/967243560.db2.gz MJFVJSXDTYDIMB-QWHCGFSZSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@]1(N)CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001204938499 967243567 /nfs/dbraw/zinc/24/35/67/967243567.db2.gz MJFVJSXDTYDIMB-QWHCGFSZSA-N 2 3 225.380 1.189 20 0 BDADHP CC(C)[N@H+](CCCC[NH3+])[C@@H]1CCCNCC1 ZINC001206582136 968398199 /nfs/dbraw/zinc/39/81/99/968398199.db2.gz MDIOANVLAZYSAD-CYBMUJFWSA-N 2 3 227.396 1.578 20 0 BDADHP CC(C)[N@@H+](CCCC[NH3+])[C@@H]1CCCNCC1 ZINC001206582136 968398204 /nfs/dbraw/zinc/39/82/04/968398204.db2.gz MDIOANVLAZYSAD-CYBMUJFWSA-N 2 3 227.396 1.578 20 0 BDADHP NC[C@H]1CCCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001206606542 968415456 /nfs/dbraw/zinc/41/54/56/968415456.db2.gz ONAQIGIQEVXAOC-ZIAGYGMSSA-N 2 3 239.407 1.437 20 0 BDADHP NC[C@H]1CCCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001206606542 968415459 /nfs/dbraw/zinc/41/54/59/968415459.db2.gz ONAQIGIQEVXAOC-ZIAGYGMSSA-N 2 3 239.407 1.437 20 0 BDADHP N[C@@H](CCC[NH3+])Nc1ccc(C2([NH3+])CC2)cc1 ZINC001170900246 972065582 /nfs/dbraw/zinc/06/55/82/972065582.db2.gz QRFBZZCDGVTXBG-GFCCVEGCSA-N 2 3 234.347 1.070 20 0 BDADHP C[NH+]1CCC(CCN2CCC[C@@H]([NH3+])CC2)CC1 ZINC001205094859 967340325 /nfs/dbraw/zinc/34/03/25/967340325.db2.gz RGXQIAXDUVOXPO-CQSZACIVSA-N 2 3 239.407 1.532 20 0 BDADHP CN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254499598 969657833 /nfs/dbraw/zinc/65/78/33/969657833.db2.gz KPLYMHLQZRLPHN-RWMBFGLXSA-N 2 3 225.380 1.330 20 0 BDADHP [NH3+]CCC1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246582301 972943554 /nfs/dbraw/zinc/94/35/54/972943554.db2.gz WKHHVUUYLDJALT-PBWFPOADSA-N 2 3 237.391 1.330 20 0 BDADHP C(C[N@@H+]1C[C@H]2CCCN[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001235209205 978996264 /nfs/dbraw/zinc/99/62/64/978996264.db2.gz JEMSROVXDSJPIQ-MCIONIFRSA-N 2 3 237.391 1.060 20 0 BDADHP C(C[N@H+]1C[C@H]2CCCN[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001235209205 978996272 /nfs/dbraw/zinc/99/62/72/978996272.db2.gz JEMSROVXDSJPIQ-MCIONIFRSA-N 2 3 237.391 1.060 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@H]2CNCC23CC3)CC1 ZINC001577764368 984731120 /nfs/dbraw/zinc/73/11/20/984731120.db2.gz YVFNBIVWNMWJJW-ZDUSSCGKSA-N 2 3 237.391 1.060 20 0 BDADHP CN1CCCC[C@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001578529048 985155352 /nfs/dbraw/zinc/15/53/52/985155352.db2.gz PGBAEYKBQYTTGT-NELGMTEASA-N 2 3 237.391 1.188 20 0 BDADHP C(CN[C@H]1CCC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001246107694 987436306 /nfs/dbraw/zinc/43/63/06/987436306.db2.gz UIEDIHAZQDBPFL-ZDUSSCGKSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@H]1CC[C@@H](NCC2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001246210676 987606417 /nfs/dbraw/zinc/60/64/17/987606417.db2.gz JMCDRYJEJJIFMD-NWDGAFQWSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H](C[NH2+]C1CCNCC1)CC(C)(C)CC[NH3+] ZINC001246331717 987737718 /nfs/dbraw/zinc/73/77/18/987737718.db2.gz CCYGVWMGULEENN-LBPRGKRZSA-N 2 3 241.423 1.729 20 0 BDADHP CCC[C@@]1(CNC2CCC([NH2+]C)CC2)CC[NH2+]1 ZINC001246454249 987810144 /nfs/dbraw/zinc/81/01/44/987810144.db2.gz BOMUSZUSXBTOIU-RUXDESIVSA-N 2 3 239.407 1.639 20 0 BDADHP CN[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246459350 987815290 /nfs/dbraw/zinc/81/52/90/987815290.db2.gz FXTBPYYMBAUWPP-AAVRWANBSA-N 2 3 237.391 1.249 20 0 BDADHP CN[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246493772 987846611 /nfs/dbraw/zinc/84/66/11/987846611.db2.gz FXTBPYYMBAUWPP-FQUUOJAGSA-N 2 3 237.391 1.249 20 0 BDADHP CN[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246493776 987846799 /nfs/dbraw/zinc/84/67/99/987846799.db2.gz FXTBPYYMBAUWPP-MQYQWHSLSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H]1CC[C@@H](NC2(C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246501707 987856078 /nfs/dbraw/zinc/85/60/78/987856078.db2.gz CCYAZBQQDHXSKY-DGCLKSJQSA-N 2 3 237.391 1.249 20 0 BDADHP [NH3+]CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246538679 987898918 /nfs/dbraw/zinc/89/89/18/987898918.db2.gz PCVHEOCRTYJIIE-BTTYYORXSA-N 2 3 237.391 1.330 20 0 BDADHP [NH3+]CC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246538679 987898920 /nfs/dbraw/zinc/89/89/20/987898920.db2.gz PCVHEOCRTYJIIE-BTTYYORXSA-N 2 3 237.391 1.330 20 0 BDADHP CN1CCC[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546835 987924767 /nfs/dbraw/zinc/92/47/67/987924767.db2.gz ATXGFRVJFFJRQU-KBPBESRZSA-N 2 3 239.407 1.674 20 0 BDADHP CN1CCC[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546835 987924778 /nfs/dbraw/zinc/92/47/78/987924778.db2.gz ATXGFRVJFFJRQU-KBPBESRZSA-N 2 3 239.407 1.674 20 0 BDADHP C[NH2+]CC[C@H](C)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001246562092 987999391 /nfs/dbraw/zinc/99/93/91/987999391.db2.gz VSTJBYJDNWPFCD-RYUDHWBXSA-N 2 3 231.359 1.137 20 0 BDADHP C[C@@H]1C[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3)CCC[C@@H]1C[NH3+] ZINC001246562444 988005380 /nfs/dbraw/zinc/00/53/80/988005380.db2.gz MWQYSBXKPAQZQO-ARJVPZMDSA-N 2 3 249.402 1.352 20 0 BDADHP C[C@@H]1C[N@H+](C2C[C@@H]3C=C[C@H](C2)N3)CCC[C@@H]1C[NH3+] ZINC001246562444 988005392 /nfs/dbraw/zinc/00/53/92/988005392.db2.gz MWQYSBXKPAQZQO-ARJVPZMDSA-N 2 3 249.402 1.352 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CCN1 ZINC001246563932 988014959 /nfs/dbraw/zinc/01/49/59/988014959.db2.gz YHIVVAFXSXOVBQ-RFQIPJPRSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CCN1 ZINC001246563932 988014970 /nfs/dbraw/zinc/01/49/70/988014970.db2.gz YHIVVAFXSXOVBQ-RFQIPJPRSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCN1 ZINC001246563921 988015785 /nfs/dbraw/zinc/01/57/85/988015785.db2.gz YHIVVAFXSXOVBQ-MQYQWHSLSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCN1 ZINC001246563921 988015803 /nfs/dbraw/zinc/01/58/03/988015803.db2.gz YHIVVAFXSXOVBQ-MQYQWHSLSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1C[C@@H]([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246579272 988098445 /nfs/dbraw/zinc/09/84/45/988098445.db2.gz UAQNBBQHRXTQQA-IHRRRGAJSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@H]1C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CCN1 ZINC001246579272 988098466 /nfs/dbraw/zinc/09/84/66/988098466.db2.gz UAQNBBQHRXTQQA-IHRRRGAJSA-N 2 3 239.407 1.578 20 0 BDADHP CC[C@@H]1C[C@@H](N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246667174 988411671 /nfs/dbraw/zinc/41/16/71/988411671.db2.gz YBSKBUWEFQOCLM-COEJNUGVSA-N 2 3 237.391 1.185 20 0 BDADHP CCCC[C@H]1C[C@@H]([N@H+](C)CCCC[NH3+])CCN1 ZINC001246890654 988658417 /nfs/dbraw/zinc/65/84/17/988658417.db2.gz KOJBIFPXMJDURB-KBPBESRZSA-N 2 3 241.423 1.968 20 0 BDADHP CCCC[C@H]1C[C@@H]([N@@H+](C)CCCC[NH3+])CCN1 ZINC001246890654 988658422 /nfs/dbraw/zinc/65/84/22/988658422.db2.gz KOJBIFPXMJDURB-KBPBESRZSA-N 2 3 241.423 1.968 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)CC[NH2+]1 ZINC001246890888 988660786 /nfs/dbraw/zinc/66/07/86/988660786.db2.gz AOGPSEAJOWDDJY-YIYPIFLZSA-N 2 3 237.391 1.010 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)CC[NH2+]1 ZINC001246890888 988660787 /nfs/dbraw/zinc/66/07/87/988660787.db2.gz AOGPSEAJOWDDJY-YIYPIFLZSA-N 2 3 237.391 1.010 20 0 BDADHP CC(C)N1CC[C@@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001575696439 993094694 /nfs/dbraw/zinc/09/46/94/993094694.db2.gz ASFMZYXRZJZUDG-AHPWVWPOSA-N 2 3 237.391 1.186 20 0 BDADHP CC(C)N1CC[C@@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001575696441 993095678 /nfs/dbraw/zinc/09/56/78/993095678.db2.gz ASFMZYXRZJZUDG-RJZJGCCBSA-N 2 3 237.391 1.186 20 0 BDADHP CC(C)NCCC[NH2+][C@H](C)CCCC[NH3+] ZINC000569684666 323036897 /nfs/dbraw/zinc/03/68/97/323036897.db2.gz VXDJTAADKVBRFQ-GFCCVEGCSA-N 2 3 215.385 1.482 20 0 BDADHP CCNCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000583434692 344954300 /nfs/dbraw/zinc/95/43/00/344954300.db2.gz GMWXWRHFZFRKQI-UHFFFAOYSA-N 2 3 213.369 1.093 20 0 BDADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000634993793 345192225 /nfs/dbraw/zinc/19/22/25/345192225.db2.gz GTYWKOVMWCMMAP-CHWSQXEVSA-N 2 3 227.396 1.278 20 0 BDADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000634993793 345192226 /nfs/dbraw/zinc/19/22/26/345192226.db2.gz GTYWKOVMWCMMAP-CHWSQXEVSA-N 2 3 227.396 1.278 20 0 BDADHP C[C@H](C[C@H](C)N)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003426 345206187 /nfs/dbraw/zinc/20/61/87/345206187.db2.gz DBBNJHJGGJACNY-USZNOCQGSA-N 2 3 213.369 1.219 20 0 BDADHP C[C@H]1CCNCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003326 345206277 /nfs/dbraw/zinc/20/62/77/345206277.db2.gz CBNMNGQPVRGRQL-XDQVBPFNSA-N 2 3 239.407 1.482 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000635006565 345210647 /nfs/dbraw/zinc/21/06/47/345210647.db2.gz SFOYYGKWOBLZQC-FDYHWXHSSA-N 2 3 225.380 1.363 20 0 BDADHP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1CN ZINC000420413211 192240250 /nfs/dbraw/zinc/24/02/50/192240250.db2.gz SUWUCASPQRCLGQ-MCIONIFRSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1CN ZINC000420413211 192240251 /nfs/dbraw/zinc/24/02/51/192240251.db2.gz SUWUCASPQRCLGQ-MCIONIFRSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000420413211 192240253 /nfs/dbraw/zinc/24/02/53/192240253.db2.gz SUWUCASPQRCLGQ-MCIONIFRSA-N 2 3 239.407 1.293 20 0 BDADHP C(C[N@@H+]1CC[C@@]2(C1)CCCNC2)[C@@H]1CC[NH2+]C1 ZINC000335007724 541419347 /nfs/dbraw/zinc/41/93/47/541419347.db2.gz IQOXLROMUQNURM-KBPBESRZSA-N 2 3 237.391 1.062 20 0 BDADHP C(C[N@H+]1CC[C@@]2(C1)CCCNC2)[C@@H]1CC[NH2+]C1 ZINC000335007724 541419352 /nfs/dbraw/zinc/41/93/52/541419352.db2.gz IQOXLROMUQNURM-KBPBESRZSA-N 2 3 237.391 1.062 20 0 BDADHP CC(C)[N@H+](C)CC1CC[NH+](CC(C)(C)N)CC1 ZINC000575802495 365367768 /nfs/dbraw/zinc/36/77/68/365367768.db2.gz KYKDMZQLEIROPR-UHFFFAOYSA-N 2 3 241.423 1.776 20 0 BDADHP CC(C)[N@@H+](C)CC1CC[NH+](CC(C)(C)N)CC1 ZINC000575802495 365367772 /nfs/dbraw/zinc/36/77/72/365367772.db2.gz KYKDMZQLEIROPR-UHFFFAOYSA-N 2 3 241.423 1.776 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000567641281 326236657 /nfs/dbraw/zinc/23/66/57/326236657.db2.gz RIRZAORJYDUQFB-NEPJUHHUSA-N 2 3 227.396 1.434 20 0 BDADHP CCN(C)C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178982240 134314117 /nfs/dbraw/zinc/31/41/17/134314117.db2.gz ZSQJRAWLMDALAN-CQSZACIVSA-N 2 3 239.407 1.260 20 0 BDADHP CCN(C)C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178982240 134314118 /nfs/dbraw/zinc/31/41/18/134314118.db2.gz ZSQJRAWLMDALAN-CQSZACIVSA-N 2 3 239.407 1.260 20 0 BDADHP C[C@@H]1C[C@@H](CN2CCC(C)([NH3+])CC2)CC[NH2+]1 ZINC000647531012 384623607 /nfs/dbraw/zinc/62/36/07/384623607.db2.gz WDAHRSOYJDOWSC-NEPJUHHUSA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H](C[NH2+][C@@H](C)CCC[NH3+])CN1CCCCC1 ZINC000310403436 385044622 /nfs/dbraw/zinc/04/46/22/385044622.db2.gz NQTKBZDUKILNGI-KBPBESRZSA-N 2 3 241.423 1.825 20 0 BDADHP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC[C@@H]1N ZINC000647497726 385407562 /nfs/dbraw/zinc/40/75/62/385407562.db2.gz SNSADKUQHBWWJJ-SYQHCUMBSA-N 2 3 239.407 1.434 20 0 BDADHP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC[C@@H]1N ZINC000647497726 385407565 /nfs/dbraw/zinc/40/75/65/385407565.db2.gz SNSADKUQHBWWJJ-SYQHCUMBSA-N 2 3 239.407 1.434 20 0 BDADHP CC[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CC[C@@H]1[NH3+] ZINC000647497726 385407569 /nfs/dbraw/zinc/40/75/69/385407569.db2.gz SNSADKUQHBWWJJ-SYQHCUMBSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@H]1CN(CCCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647844875 385894494 /nfs/dbraw/zinc/89/44/94/385894494.db2.gz YOWRHUNDKFGXFH-GXTWGEPZSA-N 2 3 239.407 1.435 20 0 BDADHP CNC[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414660313 386091676 /nfs/dbraw/zinc/09/16/76/386091676.db2.gz MPJQHDPHTXRTCH-AGIUHOORSA-N 2 3 225.380 1.058 20 0 BDADHP CNC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414660313 386091681 /nfs/dbraw/zinc/09/16/81/386091681.db2.gz MPJQHDPHTXRTCH-AGIUHOORSA-N 2 3 225.380 1.058 20 0 BDADHP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CC[NH2+]1 ZINC000414698156 386199705 /nfs/dbraw/zinc/19/97/05/386199705.db2.gz IQIKNZIIQVGANB-RFQIPJPRSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CC[NH2+]1 ZINC000414698156 386199706 /nfs/dbraw/zinc/19/97/06/386199706.db2.gz IQIKNZIIQVGANB-RFQIPJPRSA-N 2 3 237.391 1.058 20 0 BDADHP C([C@H]1CC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000647987698 386277478 /nfs/dbraw/zinc/27/74/78/386277478.db2.gz RVMXJXQHFGEHHU-JSGCOSHPSA-N 2 3 237.391 1.060 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNC2(C)C)CC[NH2+]1 ZINC000415050437 386505111 /nfs/dbraw/zinc/50/51/11/386505111.db2.gz YRZWLMQEFDQTIA-IJLUTSLNSA-N 2 3 225.380 1.105 20 0 BDADHP C[NH2+]C1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000335449159 386516757 /nfs/dbraw/zinc/51/67/57/386516757.db2.gz WGSGRRVMQVVJJB-RYUDHWBXSA-N 2 3 225.380 1.058 20 0 BDADHP CNC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000335449159 386516760 /nfs/dbraw/zinc/51/67/60/386516760.db2.gz WGSGRRVMQVVJJB-RYUDHWBXSA-N 2 3 225.380 1.058 20 0 BDADHP C[NH2+]CCCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977609 386576879 /nfs/dbraw/zinc/57/68/79/386576879.db2.gz FEVXJIIRLGZDJT-KBPBESRZSA-N 2 3 239.407 1.308 20 0 BDADHP CNCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977609 386576882 /nfs/dbraw/zinc/57/68/82/386576882.db2.gz FEVXJIIRLGZDJT-KBPBESRZSA-N 2 3 239.407 1.308 20 0 BDADHP CNCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977609 386576889 /nfs/dbraw/zinc/57/68/89/386576889.db2.gz FEVXJIIRLGZDJT-KBPBESRZSA-N 2 3 239.407 1.308 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@H]2CN)CC[NH2+]1 ZINC000414811859 386628766 /nfs/dbraw/zinc/62/87/66/386628766.db2.gz WTYJSZJKDJRABW-MQYQWHSLSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@]1(CN)CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647954658 386682891 /nfs/dbraw/zinc/68/28/91/386682891.db2.gz GAYJUUBGIMPCJU-CQSZACIVSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@]1(CN)CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647954658 386682899 /nfs/dbraw/zinc/68/28/99/386682899.db2.gz GAYJUUBGIMPCJU-CQSZACIVSA-N 2 3 239.407 1.437 20 0 BDADHP CC(C)[C@H]([NH3+])CCN(C)CCC1CC[NH2+]CC1 ZINC000359220241 387069675 /nfs/dbraw/zinc/06/96/75/387069675.db2.gz OHIIQHRBZVGTCD-CQSZACIVSA-N 2 3 241.423 1.681 20 0 BDADHP C[C@H]([NH3+])[C@@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000359230542 387072452 /nfs/dbraw/zinc/07/24/52/387072452.db2.gz ZSHLRPVAMHPYHK-GXTWGEPZSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230542 387072456 /nfs/dbraw/zinc/07/24/56/387072456.db2.gz ZSHLRPVAMHPYHK-GXTWGEPZSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230542 387072460 /nfs/dbraw/zinc/07/24/60/387072460.db2.gz ZSHLRPVAMHPYHK-GXTWGEPZSA-N 2 3 239.407 1.435 20 0 BDADHP CC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CC[NH2+]CC1 ZINC000423337826 387185967 /nfs/dbraw/zinc/18/59/67/387185967.db2.gz UEAXUOPGEDXRJP-OLZOCXBDSA-N 2 3 239.407 1.483 20 0 BDADHP CC[NH2+][C@H](C)CN[C@H](C)CCCC[NH3+] ZINC000423398982 387235537 /nfs/dbraw/zinc/23/55/37/387235537.db2.gz VTEASOFCLVYOEX-GHMZBOCLSA-N 2 3 201.358 1.092 20 0 BDADHP C[C@H](NCC1(C)CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423344811 387195289 /nfs/dbraw/zinc/19/52/89/387195289.db2.gz YEXPDZUUJSNTHL-QWHCGFSZSA-N 2 3 239.407 1.496 20 0 BDADHP NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423463318 387311420 /nfs/dbraw/zinc/31/14/20/387311420.db2.gz FOMJYNDSWSSLNB-VOAKCMCISA-N 2 3 225.380 1.221 20 0 BDADHP C[C@H](NCCC1=CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423545673 387369862 /nfs/dbraw/zinc/36/98/62/387369862.db2.gz YHEVFNWONYCMSS-JSGCOSHPSA-N 2 3 237.391 1.416 20 0 BDADHP CC[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423476299 387321876 /nfs/dbraw/zinc/32/18/76/387321876.db2.gz RCLJORYUTZVLTG-MQYQWHSLSA-N 2 3 239.407 1.624 20 0 BDADHP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCN1 ZINC000423476299 387321880 /nfs/dbraw/zinc/32/18/80/387321880.db2.gz RCLJORYUTZVLTG-MQYQWHSLSA-N 2 3 239.407 1.624 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423479296 387326609 /nfs/dbraw/zinc/32/66/09/387326609.db2.gz MBZVQRLMNWPVCH-RDBSUJKOSA-N 2 3 239.407 1.496 20 0 BDADHP CC[C@H](N[C@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423498277 387340074 /nfs/dbraw/zinc/34/00/74/387340074.db2.gz GRSITSBLPVBBSN-CYDGBPFRSA-N 2 3 225.380 1.234 20 0 BDADHP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCCN1 ZINC000423498277 387340079 /nfs/dbraw/zinc/34/00/79/387340079.db2.gz GRSITSBLPVBBSN-CYDGBPFRSA-N 2 3 225.380 1.234 20 0 BDADHP [NH3+]C1CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000527532659 387600167 /nfs/dbraw/zinc/60/01/67/387600167.db2.gz NKSITTBIIRSRKB-MCIGGMRASA-N 2 3 223.364 1.131 20 0 BDADHP CCO[C@H](CC[NH+](C)C)CN[C@H](C)C[C@H](C)[NH3+] ZINC000422863384 387746241 /nfs/dbraw/zinc/74/62/41/387746241.db2.gz LJPRHXXUGZATLS-YNEHKIRRSA-N 2 3 245.411 1.059 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000422835712 387729588 /nfs/dbraw/zinc/72/95/88/387729588.db2.gz IYKBCSLNJTUEBV-UPJWGTAASA-N 2 3 227.396 1.576 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000423037436 387850852 /nfs/dbraw/zinc/85/08/52/387850852.db2.gz BQWGHCUFXTXQEW-RYUDHWBXSA-N 2 3 227.396 1.434 20 0 BDADHP C[C@H](NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423275219 388056319 /nfs/dbraw/zinc/05/63/19/388056319.db2.gz MXMAMTUOJHTFFA-MJBXVCDLSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@]1(CN2CCC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000261866395 135257847 /nfs/dbraw/zinc/25/78/47/135257847.db2.gz NZXYAMVBEWTCDS-QWHCGFSZSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+][C@@H]1C[C@H](NCC[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000566087933 410065794 /nfs/dbraw/zinc/06/57/94/410065794.db2.gz FRSLKCFUAIEYGQ-GLQYFDAESA-N 2 3 245.370 1.720 20 0 BDADHP C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)[C@@H]1CCN ZINC000650712146 410343165 /nfs/dbraw/zinc/34/31/65/410343165.db2.gz SJDCVVJKDZBZGI-TZMCWYRMSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1CCN ZINC000650712146 410343172 /nfs/dbraw/zinc/34/31/72/410343172.db2.gz SJDCVVJKDZBZGI-TZMCWYRMSA-N 2 3 239.407 1.435 20 0 BDADHP [NH3+]CC1(CC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000650746024 410385479 /nfs/dbraw/zinc/38/54/79/410385479.db2.gz ULMWNQKYFFRZBM-CHWSQXEVSA-N 2 3 237.391 1.332 20 0 BDADHP [NH3+]CC1(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000650746024 410385488 /nfs/dbraw/zinc/38/54/88/410385488.db2.gz ULMWNQKYFFRZBM-CHWSQXEVSA-N 2 3 237.391 1.332 20 0 BDADHP [NH3+]CC1(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000650746024 410385496 /nfs/dbraw/zinc/38/54/96/410385496.db2.gz ULMWNQKYFFRZBM-CHWSQXEVSA-N 2 3 237.391 1.332 20 0 BDADHP C[C@H]1CCNCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762214 410411974 /nfs/dbraw/zinc/41/19/74/410411974.db2.gz XGCKHGBEUXVNLC-JSGCOSHPSA-N 2 3 239.407 1.354 20 0 BDADHP CC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC[NH2+]CC1 ZINC000656193038 411198554 /nfs/dbraw/zinc/19/85/54/411198554.db2.gz JHZIRULJWCYBQN-VXGBXAGGSA-N 2 3 225.380 1.236 20 0 BDADHP [NH3+][C@H]1CCC[C@H](NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000656200148 411204378 /nfs/dbraw/zinc/20/43/78/411204378.db2.gz GAWRGURWAYTUCQ-GJZGRUSLSA-N 2 3 245.370 1.649 20 0 BDADHP CC(C)(N)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787052 411366077 /nfs/dbraw/zinc/36/60/77/411366077.db2.gz SFMQTNRGCZTGJP-CYBMUJFWSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCNC1 ZINC000414819046 411447164 /nfs/dbraw/zinc/44/71/64/411447164.db2.gz GLVXJWZLIAJNJY-SYQHCUMBSA-N 2 3 239.407 1.352 20 0 BDADHP N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000570802245 323070730 /nfs/dbraw/zinc/07/07/30/323070730.db2.gz BKVQMOAXQBZUOM-GJZGRUSLSA-N 2 3 247.386 1.895 20 0 BDADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000656200814 488067072 /nfs/dbraw/zinc/06/70/72/488067072.db2.gz QZYUDBPYTMPMCE-IGQOVBAYSA-N 2 3 239.407 1.434 20 0 BDADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902485922 584625546 /nfs/dbraw/zinc/62/55/46/584625546.db2.gz BJSMQMLPNIEVFP-NQBHXWOUSA-N 2 3 248.374 1.237 20 0 BDADHP [NH3+]CCCCCCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903861431 584812538 /nfs/dbraw/zinc/81/25/38/584812538.db2.gz WWOTYSPEAKZDJG-STQMWFEESA-N 2 3 225.380 1.319 20 0 BDADHP C[NH2+]C[C@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874248 584816227 /nfs/dbraw/zinc/81/62/27/584816227.db2.gz VYYOJEZEJOOPPW-RLAWYHOSSA-N 2 3 237.391 1.058 20 0 BDADHP CNC[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874248 584816228 /nfs/dbraw/zinc/81/62/28/584816228.db2.gz VYYOJEZEJOOPPW-RLAWYHOSSA-N 2 3 237.391 1.058 20 0 BDADHP CNC[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874248 584816229 /nfs/dbraw/zinc/81/62/29/584816229.db2.gz VYYOJEZEJOOPPW-RLAWYHOSSA-N 2 3 237.391 1.058 20 0 BDADHP C([NH2+][C@H]1CCNC12CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935113 584825878 /nfs/dbraw/zinc/82/58/78/584825878.db2.gz NGNKMPSYTBNNOF-GSPSYOTPSA-N 2 3 249.402 1.391 20 0 BDADHP CCC1([NH3+])CCN(CC2CC[NH2+]CC2)CC1 ZINC000903946335 584829583 /nfs/dbraw/zinc/82/95/83/584829583.db2.gz OLZOQJZOXDEJOL-UHFFFAOYSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@@H]([NH3+])C1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904299764 584860741 /nfs/dbraw/zinc/86/07/41/584860741.db2.gz NSZHCTZACSXAQW-TZMCWYRMSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]([NH3+])C1CC[NH+](C[C@]2(C)CCCNC2)CC1 ZINC000904299764 584860743 /nfs/dbraw/zinc/86/07/43/584860743.db2.gz NSZHCTZACSXAQW-TZMCWYRMSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@]1(C[NH2+][C@H]2CC23CC[NH2+]CC3)CCCNC1 ZINC000904355417 584870745 /nfs/dbraw/zinc/87/07/45/584870745.db2.gz RGUDYMUMFXCAMB-STQMWFEESA-N 2 3 237.391 1.108 20 0 BDADHP C[C@]1(CN[C@H]2CC23CC[NH2+]CC3)CCC[NH2+]C1 ZINC000904355417 584870747 /nfs/dbraw/zinc/87/07/47/584870747.db2.gz RGUDYMUMFXCAMB-STQMWFEESA-N 2 3 237.391 1.108 20 0 BDADHP [NH3+][C@H]1C[C@@H](CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000904358714 584872336 /nfs/dbraw/zinc/87/23/36/584872336.db2.gz ROBZAOMWFHWDME-YIYPIFLZSA-N 2 3 237.391 1.188 20 0 BDADHP C[C@@]1(C[NH2+]CCC2(C[NH3+])CC2)CCCNC1 ZINC000904376356 584876044 /nfs/dbraw/zinc/87/60/44/584876044.db2.gz PMMYIASUQHQAPI-GFCCVEGCSA-N 2 3 225.380 1.095 20 0 BDADHP C[C@H]1CCNCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843344102 588101618 /nfs/dbraw/zinc/10/16/18/588101618.db2.gz QMBGDENJAXPNFD-STQMWFEESA-N 2 3 227.396 1.483 20 0 BDADHP CN(CCCCCCC[NH3+])CC(C)(C)C[NH3+] ZINC000843355276 588102999 /nfs/dbraw/zinc/10/29/99/588102999.db2.gz PGSNAUPMBWUOHP-UHFFFAOYSA-N 2 3 229.412 1.812 20 0 BDADHP C[C@]1(CN)CC[N@H+](CCCCCCC[NH3+])C1 ZINC000843383451 588105356 /nfs/dbraw/zinc/10/53/56/588105356.db2.gz WLSJCQIHNTYXIE-CYBMUJFWSA-N 2 3 227.396 1.566 20 0 BDADHP C[C@]1(CN)CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843383451 588105358 /nfs/dbraw/zinc/10/53/58/588105358.db2.gz WLSJCQIHNTYXIE-CYBMUJFWSA-N 2 3 227.396 1.566 20 0 BDADHP CC(C)[C@@H](CN)C[NH2+]CCCCCC[NH3+] ZINC000873214093 589997251 /nfs/dbraw/zinc/99/72/51/589997251.db2.gz XOOWDRPTNHAREN-LBPRGKRZSA-N 2 3 215.385 1.326 20 0 BDADHP CC[NH+](CC)CCCN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495768 644462676 /nfs/dbraw/zinc/46/26/76/644462676.db2.gz XQCAEYHWVOUPAA-ZIAGYGMSSA-N 2 3 241.423 1.635 20 0 BDADHP CCN(CC)CCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495768 644462682 /nfs/dbraw/zinc/46/26/82/644462682.db2.gz XQCAEYHWVOUPAA-ZIAGYGMSSA-N 2 3 241.423 1.635 20 0 BDADHP CCN(CC)CCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495768 644462688 /nfs/dbraw/zinc/46/26/88/644462688.db2.gz XQCAEYHWVOUPAA-ZIAGYGMSSA-N 2 3 241.423 1.635 20 0 BDADHP CCC1([NH3+])CCN([C@@H](C)CCCC[NH3+])CC1 ZINC000925761495 646466009 /nfs/dbraw/zinc/46/60/09/646466009.db2.gz WASQZKHMTFETEG-LBPRGKRZSA-N 2 3 227.396 1.707 20 0 BDADHP CCC1([NH3+])CCN([C@H](C)CCCC[NH3+])CC1 ZINC000925761493 646466700 /nfs/dbraw/zinc/46/67/00/646466700.db2.gz WASQZKHMTFETEG-GFCCVEGCSA-N 2 3 227.396 1.707 20 0 BDADHP CC[NH+](CC)C1CCC([NH2+]C[C@H](C)CN)CC1 ZINC001173107493 975024296 /nfs/dbraw/zinc/02/42/96/975024296.db2.gz UMKIUTUYHLESDL-IYXRBSQSSA-N 2 3 241.423 1.824 20 0 BDADHP C[C@H]([NH3+])c1ccc(N[C@H](N)CCC[NH3+])cc1 ZINC001170900448 972063947 /nfs/dbraw/zinc/06/39/47/972063947.db2.gz LJENWUIYJSNAOR-CABZTGNLSA-N 2 3 222.336 1.142 20 0 BDADHP C1C[C@]2(C[NH2+]1)CCC[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246082084 972136884 /nfs/dbraw/zinc/13/68/84/972136884.db2.gz VWUPPSXLDGSTKL-ZIAGYGMSSA-N 2 3 237.391 1.250 20 0 BDADHP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC001246223691 972232574 /nfs/dbraw/zinc/23/25/74/972232574.db2.gz UPWIWZKKMSGTJM-PDWCTOEPSA-N 2 3 237.391 1.247 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC001246223693 972234168 /nfs/dbraw/zinc/23/41/68/972234168.db2.gz UPWIWZKKMSGTJM-RGDJUOJXSA-N 2 3 237.391 1.247 20 0 BDADHP [NH3+]CCCCC[N@@H+]1CCC[C@]12CCCNC2 ZINC001222237721 972419026 /nfs/dbraw/zinc/41/90/26/972419026.db2.gz QWAAYVBNHVNDQM-ZDUSSCGKSA-N 2 3 225.380 1.333 20 0 BDADHP [NH3+]CCCCC[N@H+]1CCC[C@]12CCCNC2 ZINC001222237721 972419033 /nfs/dbraw/zinc/41/90/33/972419033.db2.gz QWAAYVBNHVNDQM-ZDUSSCGKSA-N 2 3 225.380 1.333 20 0 BDADHP [NH3+]Cc1cccc(CN2CCCC[C@H](C[NH3+])C2)c1 ZINC001206640380 962272011 /nfs/dbraw/zinc/27/20/11/962272011.db2.gz JIMCIUQTDQTMNM-OAHLLOKOSA-N 2 3 247.386 1.706 20 0 BDADHP [NH3+]Cc1ccc(CN2CCC[C@H]([NH3+])CC2)cc1 ZINC001205109606 965829196 /nfs/dbraw/zinc/82/91/96/965829196.db2.gz ITHVDRXWSHEOJP-AWEZNQCLSA-N 2 3 233.359 1.459 20 0 BDADHP C[C@]1([NH3+])CCCN(CC23CC([NH3+])(C2)C3)CC1 ZINC001205257914 967452486 /nfs/dbraw/zinc/45/24/86/967452486.db2.gz YOHVIFHFRAYDQZ-HIFPTAJRSA-N 2 3 223.364 1.071 20 0 BDADHP CN1CCC[C@H]([NH2+]Cc2ccccc2C[NH3+])CC1 ZINC001254506826 969676057 /nfs/dbraw/zinc/67/60/57/969676057.db2.gz AYNHMAFNYIKLOT-HNNXBMFYSA-N 2 3 247.386 1.719 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@H](C)CCN)CC1 ZINC001577763381 984202902 /nfs/dbraw/zinc/20/29/02/984202902.db2.gz ABJYOYSFBXSAOO-LLVKDONJSA-N 2 3 213.369 1.045 20 0 BDADHP CCN(CC)CC[C@@H](C)[NH2+]C1CC(CC[NH3+])C1 ZINC001577687732 984638963 /nfs/dbraw/zinc/63/89/63/984638963.db2.gz QXGKEXQAKJMUSC-IYXRBSQSSA-N 2 3 241.423 1.824 20 0 BDADHP CN1CCCC[C@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001578529050 985157817 /nfs/dbraw/zinc/15/78/17/985157817.db2.gz PGBAEYKBQYTTGT-ZIHBUVQPSA-N 2 3 237.391 1.188 20 0 BDADHP C[C@H]1C[C@H]([NH2+]CCCC2CC[NH2+]CC2)CCN1 ZINC001246106302 987436186 /nfs/dbraw/zinc/43/61/86/987436186.db2.gz PKEOJITZFBLBBC-GXTWGEPZSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@@H]1CC[C@@H](CN[C@H]2CCC3(C[NH2+]C3)C2)[NH2+]C1 ZINC001246107326 987438768 /nfs/dbraw/zinc/43/87/68/987438768.db2.gz FWLDQVQUIJPMEV-AGIUHOORSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CCN1 ZINC001246112401 987446590 /nfs/dbraw/zinc/44/65/90/987446590.db2.gz SFLFPXDBOMHRCL-WCQYABFASA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1CC[C@H](NCCCCCC[NH3+])C[NH2+]1 ZINC001246165237 987529353 /nfs/dbraw/zinc/52/93/53/987529353.db2.gz QDHGUJCAMSOEOB-NEPJUHHUSA-N 2 3 213.369 1.236 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CC[NH2+]CC3)CCN1 ZINC001246180768 987553535 /nfs/dbraw/zinc/55/35/35/987553535.db2.gz PITSUCPBQHOKGI-UPJWGTAASA-N 2 3 237.391 1.106 20 0 BDADHP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CC[NH2+]CC3)CCN1 ZINC001246180765 987554688 /nfs/dbraw/zinc/55/46/88/987554688.db2.gz PITSUCPBQHOKGI-AGIUHOORSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)CCN1 ZINC001246199952 987596891 /nfs/dbraw/zinc/59/68/91/987596891.db2.gz BYVKCKAZCFOIEX-WUHRBBMRSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)CCN1 ZINC001246202084 987598759 /nfs/dbraw/zinc/59/87/59/987598759.db2.gz MNPKQCOQGUBJDS-FQUUOJAGSA-N 2 3 239.407 1.624 20 0 BDADHP CCCC[C@H]1C[C@@H]([NH2+]CCCC[NH2+]C)CCN1 ZINC001246206098 987602543 /nfs/dbraw/zinc/60/25/43/987602543.db2.gz XMJGENXVFCTZSI-KBPBESRZSA-N 2 3 241.423 1.886 20 0 BDADHP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CCN1 ZINC001246210336 987606438 /nfs/dbraw/zinc/60/64/38/987606438.db2.gz MTDILRVQCFDAGN-CYDGBPFRSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@@H]1CC[C@@H](NCC[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246226740 987621431 /nfs/dbraw/zinc/62/14/31/987621431.db2.gz BODOQMNJNKIHMC-JHJVBQTASA-N 2 3 225.380 1.106 20 0 BDADHP C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCCC[NH2+]C1 ZINC001246229484 987625852 /nfs/dbraw/zinc/62/58/52/987625852.db2.gz JVVNRDNNHSNANO-CHWSQXEVSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@H](CN)C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246324421 987732529 /nfs/dbraw/zinc/73/25/29/987732529.db2.gz KTTNTBAKPNIORY-IYXRBSQSSA-N 2 3 239.407 1.483 20 0 BDADHP CN[C@H]1C[C@H]([NH2+]C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246458777 987816339 /nfs/dbraw/zinc/81/63/39/987816339.db2.gz BWHICGSHPFRRFT-AEBJDNRDSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@]1(N)C[C@H]([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246458498 987816832 /nfs/dbraw/zinc/81/68/32/987816832.db2.gz GTBJLIZATKUMDA-MQYQWHSLSA-N 2 3 237.391 1.378 20 0 BDADHP C[C@H]1CC[C@H](NC2(C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246501705 987856989 /nfs/dbraw/zinc/85/69/89/987856989.db2.gz CCYAZBQQDHXSKY-AAEUAGOBSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H]1CN([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001246563134 988004101 /nfs/dbraw/zinc/00/41/01/988004101.db2.gz OTQMTZXCGWHQBH-JHJVBQTASA-N 2 3 237.391 1.188 20 0 BDADHP C[C@@H]1C[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3)CCC[C@H]1C[NH3+] ZINC001246562447 988008221 /nfs/dbraw/zinc/00/82/21/988008221.db2.gz MWQYSBXKPAQZQO-NLXYCFSDSA-N 2 3 249.402 1.352 20 0 BDADHP C[C@@H]1C[N@H+](C2C[C@@H]3C=C[C@H](C2)N3)CCC[C@H]1C[NH3+] ZINC001246562447 988008233 /nfs/dbraw/zinc/00/82/33/988008233.db2.gz MWQYSBXKPAQZQO-NLXYCFSDSA-N 2 3 249.402 1.352 20 0 BDADHP C[NH2+]C1CCC([N@@H+]2CCC[C@@H](CN)[C@@H]2C)CC1 ZINC001246564408 988014878 /nfs/dbraw/zinc/01/48/78/988014878.db2.gz NQFMRBMTKZWOAR-FEPKRQSRSA-N 2 3 239.407 1.576 20 0 BDADHP C[NH2+]C1CCC([N@H+]2CCC[C@@H](CN)[C@@H]2C)CC1 ZINC001246564408 988014896 /nfs/dbraw/zinc/01/48/96/988014896.db2.gz NQFMRBMTKZWOAR-FEPKRQSRSA-N 2 3 239.407 1.576 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCN1 ZINC001246563940 988018117 /nfs/dbraw/zinc/01/81/17/988018117.db2.gz YHIVVAFXSXOVBQ-SYQHCUMBSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCN1 ZINC001246563940 988018131 /nfs/dbraw/zinc/01/81/31/988018131.db2.gz YHIVVAFXSXOVBQ-SYQHCUMBSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246564975 988019670 /nfs/dbraw/zinc/01/96/70/988019670.db2.gz ZDMFORNRHUWJSW-MQYQWHSLSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCN1 ZINC001246564975 988019684 /nfs/dbraw/zinc/01/96/84/988019684.db2.gz ZDMFORNRHUWJSW-MQYQWHSLSA-N 2 3 239.407 1.434 20 0 BDADHP C1C[C@@H]2[C@H](CC[N@@H+]2[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)N1 ZINC001246627902 988294762 /nfs/dbraw/zinc/29/47/62/988294762.db2.gz AWRPRQATZMDUOJ-BARDWOONSA-N 2 3 249.402 1.345 20 0 BDADHP C1C[C@@H]2[C@H](CC[N@H+]2[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)N1 ZINC001246627902 988294781 /nfs/dbraw/zinc/29/47/81/988294781.db2.gz AWRPRQATZMDUOJ-BARDWOONSA-N 2 3 249.402 1.345 20 0 BDADHP CC[C@H]1CC(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246667179 988410864 /nfs/dbraw/zinc/41/08/64/988410864.db2.gz YBSKBUWEFQOCLM-KYYPQDQFSA-N 2 3 237.391 1.185 20 0 BDADHP C[C@@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246793777 988475271 /nfs/dbraw/zinc/47/52/71/988475271.db2.gz DMPHEEIGHIPEKT-OCCSQVGLSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CCN1 ZINC001246793777 988475274 /nfs/dbraw/zinc/47/52/74/988475274.db2.gz DMPHEEIGHIPEKT-OCCSQVGLSA-N 2 3 239.407 1.448 20 0 BDADHP CCCC[C@H]1C[C@H]([N@H+](C)CCCC[NH3+])CCN1 ZINC001246890656 988661182 /nfs/dbraw/zinc/66/11/82/988661182.db2.gz KOJBIFPXMJDURB-UONOGXRCSA-N 2 3 241.423 1.968 20 0 BDADHP CCCC[C@H]1C[C@H]([N@@H+](C)CCCC[NH3+])CCN1 ZINC001246890656 988661186 /nfs/dbraw/zinc/66/11/86/988661186.db2.gz KOJBIFPXMJDURB-UONOGXRCSA-N 2 3 241.423 1.968 20 0 BDADHP C[C@H]1C[C@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246914133 988708405 /nfs/dbraw/zinc/70/84/05/988708405.db2.gz ZGIIDMFQWOQJOS-ZDEQEGDKSA-N 2 3 225.380 1.329 20 0 BDADHP C[C@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246914133 988708417 /nfs/dbraw/zinc/70/84/17/988708417.db2.gz ZGIIDMFQWOQJOS-ZDEQEGDKSA-N 2 3 225.380 1.329 20 0 BDADHP C[C@H](N)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001334337458 994583441 /nfs/dbraw/zinc/58/34/41/994583441.db2.gz JVZDTKYTFWCROP-STQMWFEESA-N 2 3 239.407 1.435 20 0 BDADHP CC(C)[C@H](C[NH3+])CNCc1ccc(C[NH3+])cc1 ZINC000634996751 345193367 /nfs/dbraw/zinc/19/33/67/345193367.db2.gz TYRGWOOAYRXPHQ-CQSZACIVSA-N 2 3 235.375 1.466 20 0 BDADHP C[C@H]([NH3+])C[C@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000635004848 345208766 /nfs/dbraw/zinc/20/87/66/345208766.db2.gz QKBAMRNUPUHFTL-RYUDHWBXSA-N 2 3 247.386 1.548 20 0 BDADHP CC(C)(N)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334689322 354477609 /nfs/dbraw/zinc/47/76/09/354477609.db2.gz YKWUTKWBPGAHDQ-GFCCVEGCSA-N 2 3 225.380 1.188 20 0 BDADHP CC[NH+](CC)CC1CCN(CCC[NH3+])CC1 ZINC000414743216 191558622 /nfs/dbraw/zinc/55/86/22/191558622.db2.gz UOMKDVLFAKKPEQ-UHFFFAOYSA-N 2 3 227.396 1.389 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000415020311 191653880 /nfs/dbraw/zinc/65/38/80/191653880.db2.gz XAAMCLZFXWVOAU-AGIUHOORSA-N 2 3 227.396 1.482 20 0 BDADHP C[NH2+]C[C@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420269530 192195725 /nfs/dbraw/zinc/19/57/25/192195725.db2.gz IEYUSOPZVGQAKX-ZIAGYGMSSA-N 2 3 239.407 1.308 20 0 BDADHP C[NH2+]C[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420269524 192195923 /nfs/dbraw/zinc/19/59/23/192195923.db2.gz IEYUSOPZVGQAKX-KBPBESRZSA-N 2 3 239.407 1.308 20 0 BDADHP C[C@@H]1C[C@H](CN)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420322058 192228456 /nfs/dbraw/zinc/22/84/56/192228456.db2.gz RXXLKYPLOZHKJC-FRRDWIJNSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1C[C@H](CN)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420322058 192228459 /nfs/dbraw/zinc/22/84/59/192228459.db2.gz RXXLKYPLOZHKJC-FRRDWIJNSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000578626323 366611234 /nfs/dbraw/zinc/61/12/34/366611234.db2.gz JPBWYGBZEUMTNG-FIQHERPVSA-N 2 3 213.369 1.090 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000578626322 366611741 /nfs/dbraw/zinc/61/17/41/366611741.db2.gz JPBWYGBZEUMTNG-BJDJZHNGSA-N 2 3 213.369 1.090 20 0 BDADHP CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629528206 361132956 /nfs/dbraw/zinc/13/29/56/361132956.db2.gz SKTPEZBYDVJPEQ-XGFWRYKXSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@H]1CC[C@@H](NC2CCC(C[NH3+])CC2)C[NH2+]1 ZINC000629542392 361419728 /nfs/dbraw/zinc/41/97/28/361419728.db2.gz YNEXSQLLVGUJCN-YWPUVAFDSA-N 2 3 225.380 1.234 20 0 BDADHP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000580963529 367221266 /nfs/dbraw/zinc/22/12/66/367221266.db2.gz SHLDGJQHHFFLNE-UTUOFQBUSA-N 2 3 213.369 1.363 20 0 BDADHP N[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000580903462 367203978 /nfs/dbraw/zinc/20/39/78/367203978.db2.gz TWKHWTWNZSTCOA-QNWHQSFQSA-N 2 3 225.380 1.363 20 0 BDADHP C[C@H](NCCCC[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000386576026 367994800 /nfs/dbraw/zinc/99/48/00/367994800.db2.gz NFGZCINXFITQNT-STQMWFEESA-N 2 3 227.396 1.448 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000643541205 383883589 /nfs/dbraw/zinc/88/35/89/383883589.db2.gz RZVSZPDIODDBAU-RFGFWPKPSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1 ZINC000647547392 384735936 /nfs/dbraw/zinc/73/59/36/384735936.db2.gz UYJVFNKWXRAVIW-RKQHYHRCSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1 ZINC000647547390 384736695 /nfs/dbraw/zinc/73/66/95/384736695.db2.gz UYJVFNKWXRAVIW-DHGKCCLASA-N 2 3 237.391 1.105 20 0 BDADHP C1[NH2+]C[C@H]2C[C@H](N[C@H]3CCCC[NH2+]C3)CC[C@H]12 ZINC000647548187 384749519 /nfs/dbraw/zinc/74/95/19/384749519.db2.gz XZFBANQLQCKPNT-SYQHCUMBSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)CN1CCCC1 ZINC000309294111 385512988 /nfs/dbraw/zinc/51/29/88/385512988.db2.gz WTSHUQGCTKNJSU-QWHCGFSZSA-N 2 3 227.396 1.435 20 0 BDADHP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])CN1CCCC1 ZINC000309294108 385514480 /nfs/dbraw/zinc/51/44/80/385514480.db2.gz WTSHUQGCTKNJSU-OLZOCXBDSA-N 2 3 227.396 1.435 20 0 BDADHP [NH3+]C[C@H]1CC[C@H](C[NH2+]C[C@@H]2CCCNC2)CC1 ZINC000415022311 386511319 /nfs/dbraw/zinc/51/13/19/386511319.db2.gz IZMUHNDYTXVJOF-MGPQQGTHSA-N 2 3 239.407 1.341 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2CN)CC[NH2+]1 ZINC000414811860 386627361 /nfs/dbraw/zinc/62/73/61/386627361.db2.gz WTYJSZJKDJRABW-SYQHCUMBSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@H](C[C@@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]C1 ZINC000414834231 386722715 /nfs/dbraw/zinc/72/27/15/386722715.db2.gz HDFGLKNIZARGRH-MCIONIFRSA-N 2 3 239.407 1.496 20 0 BDADHP CC1(C)CCC[NH2+][C@@H]1CNC1CCC([NH3+])CC1 ZINC000334867037 386923398 /nfs/dbraw/zinc/92/33/98/386923398.db2.gz ZESWZQAYAPSGEL-WXRRBKDZSA-N 2 3 239.407 1.624 20 0 BDADHP CC1(C[NH2+][C@@H]2CCC[C@H]2CN)CC[NH2+]CC1 ZINC000423319547 387161050 /nfs/dbraw/zinc/16/10/50/387161050.db2.gz DLLDXHNVMVURSO-NWDGAFQWSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@H]1CN(C)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423372522 387226345 /nfs/dbraw/zinc/22/63/45/387226345.db2.gz VXHSQNACFROTJP-XQQFMLRXSA-N 2 3 225.380 1.058 20 0 BDADHP CCNCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643498829 387277964 /nfs/dbraw/zinc/27/79/64/387277964.db2.gz HFFJLQHPEIZRPN-GFCCVEGCSA-N 2 3 227.396 1.306 20 0 BDADHP C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000423459914 387309316 /nfs/dbraw/zinc/30/93/16/387309316.db2.gz AHSYPFYPJULYFM-RFQIPJPRSA-N 2 3 239.407 1.624 20 0 BDADHP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423527286 387355194 /nfs/dbraw/zinc/35/51/94/387355194.db2.gz MFPIXZDIFGAOHB-AEGPPILISA-N 2 3 247.386 1.459 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000422733653 387639838 /nfs/dbraw/zinc/63/98/38/387639838.db2.gz BQOPTWVTRPUSTL-RYUDHWBXSA-N 2 3 227.396 1.434 20 0 BDADHP CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422737099 387644906 /nfs/dbraw/zinc/64/49/06/387644906.db2.gz HLRDPLWHMAPJMI-UONOGXRCSA-N 2 3 241.423 1.824 20 0 BDADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000422778063 387676080 /nfs/dbraw/zinc/67/60/80/387676080.db2.gz HBJUXSHLKPYTOV-OLZOCXBDSA-N 2 3 227.396 1.306 20 0 BDADHP CCCN1CC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422977313 387789101 /nfs/dbraw/zinc/78/91/01/387789101.db2.gz WQFYUERHUQCIQZ-STQMWFEESA-N 2 3 227.396 1.435 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000423037437 387851086 /nfs/dbraw/zinc/85/10/86/387851086.db2.gz BQWGHCUFXTXQEW-VXGBXAGGSA-N 2 3 227.396 1.434 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535903 387865480 /nfs/dbraw/zinc/86/54/80/387865480.db2.gz KVUGDAPPDVMNDP-YNEHKIRRSA-N 2 3 237.391 1.236 20 0 BDADHP [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CC12CC[NH2+]CC2 ZINC000643536421 387867729 /nfs/dbraw/zinc/86/77/29/387867729.db2.gz QSBOSGMPWDYXEK-AGIUHOORSA-N 2 3 237.391 1.378 20 0 BDADHP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C1CNC1 ZINC000423126975 387905437 /nfs/dbraw/zinc/90/54/37/387905437.db2.gz BKVRVKNWWMQAMH-CYBMUJFWSA-N 2 3 239.407 1.450 20 0 BDADHP C[C@@H](NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423238444 388022670 /nfs/dbraw/zinc/02/26/70/388022670.db2.gz AKEWJBHMQKWAEU-AGIUHOORSA-N 2 3 225.380 1.106 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000573020542 388407345 /nfs/dbraw/zinc/40/73/45/388407345.db2.gz OFFZUXIVALZQDV-XQQFMLRXSA-N 2 3 225.380 1.236 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000334277254 135333644 /nfs/dbraw/zinc/33/36/44/135333644.db2.gz SQSCNCVZYFUSFP-WCQYABFASA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](N)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000334277254 135333645 /nfs/dbraw/zinc/33/36/45/135333645.db2.gz SQSCNCVZYFUSFP-WCQYABFASA-N 2 3 225.380 1.045 20 0 BDADHP C(CC1CC[NH2+]CC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000650761598 410409860 /nfs/dbraw/zinc/40/98/60/410409860.db2.gz DSROEOFWLBWOKP-PBWFPOADSA-N 2 3 237.391 1.249 20 0 BDADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000656200149 411204526 /nfs/dbraw/zinc/20/45/26/411204526.db2.gz GAWRGURWAYTUCQ-HUUCEWRRSA-N 2 3 245.370 1.649 20 0 BDADHP CC(C)(N)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787053 411365997 /nfs/dbraw/zinc/36/59/97/411365997.db2.gz SFMQTNRGCZTGJP-ZDUSSCGKSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H]1CC2(CN1C[C@]13C[C@H]1C[NH2+]C3)CC[NH2+]CC2 ZINC000663497190 411679452 /nfs/dbraw/zinc/67/94/52/411679452.db2.gz LGDJNSWINZORPG-VNHYZAJKSA-N 2 3 249.402 1.060 20 0 BDADHP C[C@H]([NH2+]CC12CC(C1)CN2)C1CC[NH+](C)CC1 ZINC000665277099 412221683 /nfs/dbraw/zinc/22/16/83/412221683.db2.gz TVBMWVCOKJYZAH-DCBWTQNWSA-N 2 3 237.391 1.058 20 0 BDADHP C[C@H](NCC12CC(C1)C[NH2+]2)C1CC[NH+](C)CC1 ZINC000665277099 412221686 /nfs/dbraw/zinc/22/16/86/412221686.db2.gz TVBMWVCOKJYZAH-DCBWTQNWSA-N 2 3 237.391 1.058 20 0 BDADHP [NH3+]CCCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415059232 487835218 /nfs/dbraw/zinc/83/52/18/487835218.db2.gz UUXRGULQBHSRMC-ZDUSSCGKSA-N 2 3 221.348 1.405 20 0 BDADHP N[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000566481113 323001164 /nfs/dbraw/zinc/00/11/64/323001164.db2.gz ADPCIRKDIGVAQC-XDQVBPFNSA-N 2 3 237.391 1.234 20 0 BDADHP N[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000566481115 323001251 /nfs/dbraw/zinc/00/12/51/323001251.db2.gz ADPCIRKDIGVAQC-ZOBORPQBSA-N 2 3 237.391 1.234 20 0 BDADHP N[C@H]1CCC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000566483794 326051813 /nfs/dbraw/zinc/05/18/13/326051813.db2.gz WWGGBJBOPQGUOL-QWHCGFSZSA-N 2 3 223.364 1.156 20 0 BDADHP C[C@H]([NH2+][C@H]1CCNCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873272983 584128870 /nfs/dbraw/zinc/12/88/70/584128870.db2.gz XWPAWUDGTVLWQB-OBJOEFQTSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902489004 584627519 /nfs/dbraw/zinc/62/75/19/584627519.db2.gz PRVOJFXHVSQKIF-AAVRWANBSA-N 2 3 239.407 1.624 20 0 BDADHP CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454887 584773502 /nfs/dbraw/zinc/77/35/02/584773502.db2.gz MJYIYUPWAHAABD-WOPDTQHZSA-N 2 3 225.380 1.092 20 0 BDADHP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H]1CCNC12CCC2 ZINC000903471865 584775314 /nfs/dbraw/zinc/77/53/14/584775314.db2.gz VDYKPXCIRLTZDK-STQMWFEESA-N 2 3 237.391 1.250 20 0 BDADHP C[C@H]([NH3+])C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903716536 584791784 /nfs/dbraw/zinc/79/17/84/584791784.db2.gz OKWDHEQLSKXZFQ-QWHCGFSZSA-N 2 3 239.407 1.435 20 0 BDADHP C([NH2+][C@]12CCC[C@H]1NCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937136 584826290 /nfs/dbraw/zinc/82/62/90/584826290.db2.gz BYAHIAWSJNVMRW-ZKXZWOTCSA-N 2 3 249.402 1.391 20 0 BDADHP C[C@H](C[C@H]1CCC[NH2+]1)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979016 584832989 /nfs/dbraw/zinc/83/29/89/584832989.db2.gz RZIAADFTDCUTET-AAVRWANBSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@@H](C[C@@H]1CCC[NH2+]1)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979017 584833074 /nfs/dbraw/zinc/83/30/74/584833074.db2.gz RZIAADFTDCUTET-RQJABVFESA-N 2 3 239.407 1.352 20 0 BDADHP C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904302070 584861990 /nfs/dbraw/zinc/86/19/90/584861990.db2.gz UTIWNODWIWFPLO-SMDDNHRTSA-N 2 3 233.359 1.314 20 0 BDADHP C[C@@H]1CCN(Cc2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000904372218 584873283 /nfs/dbraw/zinc/87/32/83/584873283.db2.gz ZSSIOLDTMIPQMQ-IUODEOHRSA-N 2 3 247.386 1.562 20 0 BDADHP CN(C[C@@]1(C)CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843054949 588077850 /nfs/dbraw/zinc/07/78/50/588077850.db2.gz ORDNEIUEAHOCRR-BPCQOVAHSA-N 2 3 225.380 1.188 20 0 BDADHP NC[C@H]1CCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843344052 588101409 /nfs/dbraw/zinc/10/14/09/588101409.db2.gz OHKSZWIFCFWDCJ-NEPJUHHUSA-N 2 3 213.369 1.223 20 0 BDADHP NC[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000843348773 588102544 /nfs/dbraw/zinc/10/25/44/588102544.db2.gz XJRRBNROUADFLQ-GFCCVEGCSA-N 2 3 213.369 1.176 20 0 BDADHP NC[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843348773 588102545 /nfs/dbraw/zinc/10/25/45/588102545.db2.gz XJRRBNROUADFLQ-GFCCVEGCSA-N 2 3 213.369 1.176 20 0 BDADHP C[C@@H]1C[C@H](CN)C[N@@H+]1CCCCCCC[NH3+] ZINC000843362305 588104684 /nfs/dbraw/zinc/10/46/84/588104684.db2.gz CMDHCJPXVIAIHC-CHWSQXEVSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@@H]1C[C@H](CN)C[N@H+]1CCCCCCC[NH3+] ZINC000843362305 588104686 /nfs/dbraw/zinc/10/46/86/588104686.db2.gz CMDHCJPXVIAIHC-CHWSQXEVSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@H](CC[NH3+])NCc1cc2c(s1)CC[NH2+]C2 ZINC000873210877 589995131 /nfs/dbraw/zinc/99/51/31/589995131.db2.gz RFQWWEKRQSIJSN-SECBINFHSA-N 2 3 239.388 1.221 20 0 BDADHP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1CN)C1CC[NH2+]CC1 ZINC000873269487 590015689 /nfs/dbraw/zinc/01/56/89/590015689.db2.gz IBKPKSOZOPUROZ-BNOWGMLFSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@@H]([NH2+][C@H]1CCNCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873270585 590016046 /nfs/dbraw/zinc/01/60/46/590016046.db2.gz XWPAWUDGTVLWQB-SCRDCRAPSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@@H](N[C@@H](C)[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873270546 590016242 /nfs/dbraw/zinc/01/62/42/590016242.db2.gz WSBIRQRPRJLIOZ-DYEKYZERSA-N 2 3 239.407 1.495 20 0 BDADHP C[C@H]([NH2+][C@H]1CCNCC[C@H]1C)C1CC[NH2+]CC1 ZINC000873272981 590016921 /nfs/dbraw/zinc/01/69/21/590016921.db2.gz XWPAWUDGTVLWQB-DYEKYZERSA-N 2 3 239.407 1.352 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@H+](CCCCCC[NH3+])C[C@H]1CN ZINC000846222446 643651033 /nfs/dbraw/zinc/65/10/33/643651033.db2.gz CTTNEWAQPHSHPG-MGPQQGTHSA-N 2 3 241.423 1.811 20 0 BDADHP C[C@@H]1C[C@@H](C)[N@@H+](CCCCCC[NH3+])C[C@H]1CN ZINC000846222446 643651048 /nfs/dbraw/zinc/65/10/48/643651048.db2.gz CTTNEWAQPHSHPG-MGPQQGTHSA-N 2 3 241.423 1.811 20 0 BDADHP [NH3+]CCCCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000843367434 645284841 /nfs/dbraw/zinc/28/48/41/645284841.db2.gz HIKXYTXAJCOGPZ-AWEZNQCLSA-N 2 3 239.407 1.581 20 0 BDADHP C[C@@H]([NH3+])[C@H](NC[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000925879418 646528653 /nfs/dbraw/zinc/52/86/53/646528653.db2.gz DLDRNCCOOGWOBU-UXOAXIEHSA-N 2 3 247.386 1.792 20 0 BDADHP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@H]1N ZINC001206037816 968003742 /nfs/dbraw/zinc/00/37/42/968003742.db2.gz XOIPXXFEXDPVQZ-DGCLKSJQSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1N ZINC001206037816 968003760 /nfs/dbraw/zinc/00/37/60/968003760.db2.gz XOIPXXFEXDPVQZ-DGCLKSJQSA-N 2 3 225.380 1.045 20 0 BDADHP CCN(C)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207442307 968772892 /nfs/dbraw/zinc/77/28/92/968772892.db2.gz YAJSMZHBHUUDKI-UHFFFAOYSA-N 2 3 239.407 1.402 20 0 BDADHP C[C@@H]1[C@H](CN)CCC[N@@H+]1CCCCCC[NH3+] ZINC001205902550 983113976 /nfs/dbraw/zinc/11/39/76/983113976.db2.gz KGVUQDOJUFESRE-OLZOCXBDSA-N 2 3 227.396 1.565 20 0 BDADHP C[C@@H]1[C@H](CN)CCC[N@H+]1CCCCCC[NH3+] ZINC001205902550 983113983 /nfs/dbraw/zinc/11/39/83/983113983.db2.gz KGVUQDOJUFESRE-OLZOCXBDSA-N 2 3 227.396 1.565 20 0 BDADHP N[C@H](CCC[NH3+])Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001170901322 972060037 /nfs/dbraw/zinc/06/00/37/972060037.db2.gz ZGBYUPFNTYOBGY-ZDUSSCGKSA-N 2 3 248.374 1.460 20 0 BDADHP C[C@@H]1CC[C@@H](NCCC2CC[NH+](C)CC2)C[NH2+]1 ZINC000399005461 958486837 /nfs/dbraw/zinc/48/68/37/958486837.db2.gz XMDMTBXMPKCQHN-TZMCWYRMSA-N 2 3 239.407 1.448 20 0 BDADHP [NH3+]CCCCCC[N@@H+]1CCC[C@]12CCCNC2 ZINC001222237993 960498162 /nfs/dbraw/zinc/49/81/62/960498162.db2.gz XZYZCDOVRRVCBZ-AWEZNQCLSA-N 2 3 239.407 1.724 20 0 BDADHP [NH3+]CCCCCC[N@H+]1CCC[C@]12CCCNC2 ZINC001222237993 960498169 /nfs/dbraw/zinc/49/81/69/960498169.db2.gz XZYZCDOVRRVCBZ-AWEZNQCLSA-N 2 3 239.407 1.724 20 0 BDADHP C[NH+](C)C1CCC([NH2+]C2CCNCC2)CC1 ZINC000715583535 967192814 /nfs/dbraw/zinc/19/28/14/967192814.db2.gz LMVFOVNDQXIZIF-UHFFFAOYSA-N 2 3 225.380 1.201 20 0 BDADHP CC(C)[N@H+](CCCC[NH3+])[C@H]1CCCNCC1 ZINC001206582138 968399323 /nfs/dbraw/zinc/39/93/23/968399323.db2.gz MDIOANVLAZYSAD-ZDUSSCGKSA-N 2 3 227.396 1.578 20 0 BDADHP CC(C)[N@@H+](CCCC[NH3+])[C@H]1CCCNCC1 ZINC001206582138 968399332 /nfs/dbraw/zinc/39/93/32/968399332.db2.gz MDIOANVLAZYSAD-ZDUSSCGKSA-N 2 3 227.396 1.578 20 0 BDADHP CC[N@@H+](C)C1CCN(CC2CC[NH2+]CC2)CC1 ZINC001207442307 968772884 /nfs/dbraw/zinc/77/28/84/968772884.db2.gz YAJSMZHBHUUDKI-UHFFFAOYSA-N 2 3 239.407 1.402 20 0 BDADHP CC[N@H+](C)C1CCN(CC2CC[NH2+]CC2)CC1 ZINC001207442307 968772877 /nfs/dbraw/zinc/77/28/77/968772877.db2.gz YAJSMZHBHUUDKI-UHFFFAOYSA-N 2 3 239.407 1.402 20 0 BDADHP C[C@H]1C[N@@H+](C2CCNCC2)CCC[C@H]1C[NH3+] ZINC001246570763 972845262 /nfs/dbraw/zinc/84/52/62/972845262.db2.gz VJOFQHFFTRSHNG-RYUDHWBXSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1C[N@H+](C2CCNCC2)CCC[C@H]1C[NH3+] ZINC001246570763 972845264 /nfs/dbraw/zinc/84/52/64/972845264.db2.gz VJOFQHFFTRSHNG-RYUDHWBXSA-N 2 3 225.380 1.045 20 0 BDADHP C(C[N@@H+]1C[C@H]2CCCN[C@H]2C1)C1CC[NH2+]CC1 ZINC001235209903 978997427 /nfs/dbraw/zinc/99/74/27/978997427.db2.gz UBBMPRDQPQQEFR-KGLIPLIRSA-N 2 3 237.391 1.060 20 0 BDADHP C(C[N@H+]1C[C@H]2CCCN[C@H]2C1)C1CC[NH2+]CC1 ZINC001235209903 978997429 /nfs/dbraw/zinc/99/74/29/978997429.db2.gz UBBMPRDQPQQEFR-KGLIPLIRSA-N 2 3 237.391 1.060 20 0 BDADHP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3CC[C@@]3(N)C2)CC1 ZINC001235979949 979254004 /nfs/dbraw/zinc/25/40/04/979254004.db2.gz OTYZCYZXWTVJLR-UONOGXRCSA-N 2 3 237.391 1.141 20 0 BDADHP C[NH+]1CCC(CC[N@H+]2C[C@@H]3CC[C@@]3(N)C2)CC1 ZINC001235979949 979254013 /nfs/dbraw/zinc/25/40/13/979254013.db2.gz OTYZCYZXWTVJLR-UONOGXRCSA-N 2 3 237.391 1.141 20 0 BDADHP [NH3+]CCCCCCCCN[C@H]1CCC[NH2+]C1 ZINC001246081074 987378912 /nfs/dbraw/zinc/37/89/12/987378912.db2.gz QVAOZXJFLDMZMI-ZDUSSCGKSA-N 2 3 227.396 1.627 20 0 BDADHP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCCC2)CCN1 ZINC001246161753 987524138 /nfs/dbraw/zinc/52/41/38/987524138.db2.gz LIEJUDFZZKJMKC-UONOGXRCSA-N 2 3 239.407 1.593 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CC[NH2+]CC3)CCN1 ZINC001246180766 987553291 /nfs/dbraw/zinc/55/32/91/987553291.db2.gz PITSUCPBQHOKGI-FRRDWIJNSA-N 2 3 237.391 1.106 20 0 BDADHP C(NC1CCC2(CC[NH2+]CC2)CC1)[C@H]1CC[NH2+]1 ZINC001246199474 987595053 /nfs/dbraw/zinc/59/50/53/987595053.db2.gz KJDJRIHCWHTEJL-CYBMUJFWSA-N 2 3 237.391 1.250 20 0 BDADHP [NH3+]C[C@H]1CC[C@H](CN[C@H]2CCCC[NH2+]C2)CC1 ZINC001246206438 987603323 /nfs/dbraw/zinc/60/33/23/987603323.db2.gz OZVKVFZPTMEXSV-IHRRRGAJSA-N 2 3 239.407 1.483 20 0 BDADHP CC[NH2+]CCN[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246274026 987670646 /nfs/dbraw/zinc/67/06/46/987670646.db2.gz UOWJWVPUFUHQNJ-LBPRGKRZSA-N 2 3 225.380 1.108 20 0 BDADHP C[C@@H](C[NH2+]C1CCNCC1)CC(C)(C)CC[NH3+] ZINC001246331715 987739740 /nfs/dbraw/zinc/73/97/40/987739740.db2.gz CCYGVWMGULEENN-GFCCVEGCSA-N 2 3 241.423 1.729 20 0 BDADHP CN1CCC[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546841 987927020 /nfs/dbraw/zinc/92/70/20/987927020.db2.gz ATXGFRVJFFJRQU-ZIAGYGMSSA-N 2 3 239.407 1.674 20 0 BDADHP CN1CCC[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546841 987927029 /nfs/dbraw/zinc/92/70/29/987927029.db2.gz ATXGFRVJFFJRQU-ZIAGYGMSSA-N 2 3 239.407 1.674 20 0 BDADHP C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246550394 987944830 /nfs/dbraw/zinc/94/48/30/987944830.db2.gz PFKDTHRUEPOUPK-JHJVBQTASA-N 2 3 237.391 1.330 20 0 BDADHP C[C@@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)N3)CC[C@@H]1C[NH3+] ZINC001246557395 987976637 /nfs/dbraw/zinc/97/66/37/987976637.db2.gz LMCASZDJVSFKQE-ARJVPZMDSA-N 2 3 249.402 1.352 20 0 BDADHP C[C@@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)N3)CC[C@@H]1C[NH3+] ZINC001246557395 987976652 /nfs/dbraw/zinc/97/66/52/987976652.db2.gz LMCASZDJVSFKQE-ARJVPZMDSA-N 2 3 249.402 1.352 20 0 BDADHP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CCN1 ZINC001246563925 988011485 /nfs/dbraw/zinc/01/14/85/988011485.db2.gz YHIVVAFXSXOVBQ-REWJHTLYSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CCN1 ZINC001246563925 988011502 /nfs/dbraw/zinc/01/15/02/988011502.db2.gz YHIVVAFXSXOVBQ-REWJHTLYSA-N 2 3 239.407 1.434 20 0 BDADHP C1C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@@]2(C1)CCCNC2 ZINC001246608807 988222886 /nfs/dbraw/zinc/22/28/86/988222886.db2.gz JYHHTOJUEUCJMF-CBBWQLFWSA-N 2 3 249.402 1.202 20 0 BDADHP C1C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@@]2(C1)CCCNC2 ZINC001246608807 988222906 /nfs/dbraw/zinc/22/29/06/988222906.db2.gz JYHHTOJUEUCJMF-CBBWQLFWSA-N 2 3 249.402 1.202 20 0 BDADHP C1CC2(C[NH2+]1)CCC(N1CC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001246648352 988372824 /nfs/dbraw/zinc/37/28/24/988372824.db2.gz XUIHQJYABJQXGI-FGZQJIAISA-N 2 3 249.402 1.202 20 0 BDADHP CC[NH+](CC)CCC[C@@H](C)N1CCC[C@@H]1C[NH3+] ZINC001246906821 988684453 /nfs/dbraw/zinc/68/44/53/988684453.db2.gz BANGSNQCKCSGQS-ZIAGYGMSSA-N 2 3 241.423 1.920 20 0 BDADHP C[NH2+]CCC1CC[NH+](C[C@H](CN)C(C)C)CC1 ZINC000634991483 345177694 /nfs/dbraw/zinc/17/76/94/345177694.db2.gz GKXIPQMXTCDBAK-AWEZNQCLSA-N 2 3 241.423 1.539 20 0 BDADHP C[NH2+]CCC1CCN(C[C@H](C[NH3+])C(C)C)CC1 ZINC000634991483 345177695 /nfs/dbraw/zinc/17/76/95/345177695.db2.gz GKXIPQMXTCDBAK-AWEZNQCLSA-N 2 3 241.423 1.539 20 0 BDADHP CC(C)[C@H](CN)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000634995991 345185806 /nfs/dbraw/zinc/18/58/06/345185806.db2.gz VXQOYSDPPYEPES-NWDGAFQWSA-N 2 3 215.385 1.324 20 0 BDADHP C[C@@H]1C[C@@H]([NH3+])CCN1CC[C@H]1CCC[NH2+]C1 ZINC000577960584 366144693 /nfs/dbraw/zinc/14/46/93/366144693.db2.gz MHCVXRKLEAIUSW-UPJWGTAASA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@@H](N)CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000577960584 366144698 /nfs/dbraw/zinc/14/46/98/366144698.db2.gz MHCVXRKLEAIUSW-UPJWGTAASA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@@H](N)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000577960584 366144703 /nfs/dbraw/zinc/14/47/03/366144703.db2.gz MHCVXRKLEAIUSW-UPJWGTAASA-N 2 3 225.380 1.188 20 0 BDADHP C[C@@H]1C[C@@H](C[NH2+]CCCNC2CC2)CC[NH2+]1 ZINC000415067345 191666330 /nfs/dbraw/zinc/66/63/30/191666330.db2.gz KRNROWAETFWZKL-NEPJUHHUSA-N 2 3 225.380 1.106 20 0 BDADHP NCC[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420322229 192227398 /nfs/dbraw/zinc/22/73/98/192227398.db2.gz WJJRFSVVLZDJST-CHWSQXEVSA-N 2 3 225.380 1.189 20 0 BDADHP NCC[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420322229 192227400 /nfs/dbraw/zinc/22/74/00/192227400.db2.gz WJJRFSVVLZDJST-CHWSQXEVSA-N 2 3 225.380 1.189 20 0 BDADHP [NH3+]CC[C@H]1CCCCN1CC[C@H]1CC[NH2+]C1 ZINC000420322229 192227401 /nfs/dbraw/zinc/22/74/01/192227401.db2.gz WJJRFSVVLZDJST-CHWSQXEVSA-N 2 3 225.380 1.189 20 0 BDADHP C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000420405393 192239254 /nfs/dbraw/zinc/23/92/54/192239254.db2.gz MTHYODRXRPYFTF-JSGCOSHPSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1CN ZINC000420405393 192239257 /nfs/dbraw/zinc/23/92/57/192239257.db2.gz MTHYODRXRPYFTF-JSGCOSHPSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@H]1CCN(CCC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000420405393 192239258 /nfs/dbraw/zinc/23/92/58/192239258.db2.gz MTHYODRXRPYFTF-JSGCOSHPSA-N 2 3 239.407 1.293 20 0 BDADHP C[C@H]([NH2+][C@@H]1CCN[C@H]1C)C1CC[NH+](C)CC1 ZINC000629548541 361434221 /nfs/dbraw/zinc/43/42/21/361434221.db2.gz QAWHLGFDLDBIEW-GMXVVIOVSA-N 2 3 225.380 1.057 20 0 BDADHP C[C@H]1CC[C@H](NC2CCC(C[NH3+])CC2)C[NH2+]1 ZINC000629542390 361419544 /nfs/dbraw/zinc/41/95/44/361419544.db2.gz YNEXSQLLVGUJCN-WTIISPKJSA-N 2 3 225.380 1.234 20 0 BDADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000518515547 383974208 /nfs/dbraw/zinc/97/42/08/383974208.db2.gz BSVGLIXLEWNVFT-NELGMTEASA-N 2 3 239.407 1.719 20 0 BDADHP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CCCNCC3)CC[C@H]12 ZINC000647547074 384736805 /nfs/dbraw/zinc/73/68/05/384736805.db2.gz MPQZVKWPMLBTQB-AAVRWANBSA-N 2 3 237.391 1.106 20 0 BDADHP CN(CCCC1CC[NH2+]CC1)CC(C)(C)C[NH3+] ZINC000647858101 385914138 /nfs/dbraw/zinc/91/41/38/385914138.db2.gz YOTXUALBLARBCG-UHFFFAOYSA-N 2 3 241.423 1.683 20 0 BDADHP C[C@]1(CNCCC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000414970617 385964716 /nfs/dbraw/zinc/96/47/16/385964716.db2.gz VLWPJFDSSYEPGW-QWHCGFSZSA-N 2 3 225.380 1.108 20 0 BDADHP C[NH2+]C[C@@H]1CCCN(C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414651751 386072258 /nfs/dbraw/zinc/07/22/58/386072258.db2.gz GDBKRLJNFOJCQL-IHRRRGAJSA-N 2 3 239.407 1.306 20 0 BDADHP C[C@@H]1C[C@@H](C[N@H+](C)[C@@H]2CCCNCC2)CC[NH2+]1 ZINC000414753669 386388639 /nfs/dbraw/zinc/38/86/39/386388639.db2.gz QPLUXLMVDWURAZ-HZSPNIEDSA-N 2 3 239.407 1.448 20 0 BDADHP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2CCCNCC2)CC[NH2+]1 ZINC000414753669 386388640 /nfs/dbraw/zinc/38/86/40/386388640.db2.gz QPLUXLMVDWURAZ-HZSPNIEDSA-N 2 3 239.407 1.448 20 0 BDADHP CC[C@H]1CN(CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647934505 386475198 /nfs/dbraw/zinc/47/51/98/386475198.db2.gz HKURNNKAVCNNPO-UONOGXRCSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1N ZINC000647934505 386475206 /nfs/dbraw/zinc/47/52/06/386475206.db2.gz HKURNNKAVCNNPO-UONOGXRCSA-N 2 3 239.407 1.435 20 0 BDADHP CC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1N ZINC000647934505 386475216 /nfs/dbraw/zinc/47/52/16/386475216.db2.gz HKURNNKAVCNNPO-UONOGXRCSA-N 2 3 239.407 1.435 20 0 BDADHP NC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000414814923 386650039 /nfs/dbraw/zinc/65/00/39/386650039.db2.gz ZODVFCOJFHUBRP-GNRIBBGQSA-N 2 3 239.407 1.611 20 0 BDADHP CCN(CC)CCC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415096302 386614829 /nfs/dbraw/zinc/61/48/29/386614829.db2.gz AXUBQLVYWDWDQQ-ZIAGYGMSSA-N 2 3 241.423 1.696 20 0 BDADHP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCCNC1 ZINC000414825350 386691446 /nfs/dbraw/zinc/69/14/46/386691446.db2.gz SHIVCJFWSCPXNM-RJZJGCCBSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@H](C[C@@H]1CCC[NH2+]1)NCC[C@@H]1CCC[NH2+]C1 ZINC000414834236 386723355 /nfs/dbraw/zinc/72/33/55/386723355.db2.gz HDFGLKNIZARGRH-RDBSUJKOSA-N 2 3 239.407 1.496 20 0 BDADHP C[C@H]1CC2(C[N@@H+]1CC1(CN)CC1)CC[NH2+]CC2 ZINC000335543087 386728134 /nfs/dbraw/zinc/72/81/34/386728134.db2.gz IEKQOJVKVDFWCJ-LBPRGKRZSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@H]1CC2(C[N@H+]1CC1(CN)CC1)CC[NH2+]CC2 ZINC000335543087 386728139 /nfs/dbraw/zinc/72/81/39/386728139.db2.gz IEKQOJVKVDFWCJ-LBPRGKRZSA-N 2 3 237.391 1.189 20 0 BDADHP C[C@H]([NH3+])[C@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000359230544 387072429 /nfs/dbraw/zinc/07/24/29/387072429.db2.gz ZSHLRPVAMHPYHK-JSGCOSHPSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230544 387072434 /nfs/dbraw/zinc/07/24/34/387072434.db2.gz ZSHLRPVAMHPYHK-JSGCOSHPSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230544 387072436 /nfs/dbraw/zinc/07/24/36/387072436.db2.gz ZSHLRPVAMHPYHK-JSGCOSHPSA-N 2 3 239.407 1.435 20 0 BDADHP C(CN1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334996825 387088097 /nfs/dbraw/zinc/08/80/97/387088097.db2.gz VYUNURGCAHGILO-KBPBESRZSA-N 2 3 237.391 1.062 20 0 BDADHP CC[N@@H+]1CC[C@H](NCC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423330255 387175458 /nfs/dbraw/zinc/17/54/58/387175458.db2.gz BQUVRNYAAJQDMF-JSGCOSHPSA-N 2 3 237.391 1.226 20 0 BDADHP CC[N@H+]1CC[C@H](NCC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423330255 387175463 /nfs/dbraw/zinc/17/54/63/387175463.db2.gz BQUVRNYAAJQDMF-JSGCOSHPSA-N 2 3 237.391 1.226 20 0 BDADHP C[C@H](NCC1(C)CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423344812 387195600 /nfs/dbraw/zinc/19/56/00/387195600.db2.gz YEXPDZUUJSNTHL-STQMWFEESA-N 2 3 239.407 1.496 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423462738 387311152 /nfs/dbraw/zinc/31/11/52/387311152.db2.gz DZRHFTORSDOHBL-RQJABVFESA-N 2 3 239.407 1.611 20 0 BDADHP C[C@@H](NCCC[C@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423465974 387313387 /nfs/dbraw/zinc/31/33/87/387313387.db2.gz AGTITRPOTRULHB-HZSPNIEDSA-N 2 3 239.407 1.639 20 0 BDADHP C[C@H](CCC[NH3+])N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423450056 387300222 /nfs/dbraw/zinc/30/02/22/387300222.db2.gz HCIYYMJDEQVWHE-WOPDTQHZSA-N 2 3 213.369 1.234 20 0 BDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423539740 387365895 /nfs/dbraw/zinc/36/58/95/387365895.db2.gz PFGYDDUYAVCYFA-TZMCWYRMSA-N 2 3 237.391 1.274 20 0 BDADHP N[C@@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc21 ZINC000572392504 387381345 /nfs/dbraw/zinc/38/13/45/387381345.db2.gz UNFYBORIWVNHJB-HUUCEWRRSA-N 2 3 243.354 1.641 20 0 BDADHP CCCN1CC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422977710 387790239 /nfs/dbraw/zinc/79/02/39/387790239.db2.gz XJIWVLMPDUTPRE-ZIAGYGMSSA-N 2 3 241.423 1.825 20 0 BDADHP C[C@@H](N)C[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423088838 387880405 /nfs/dbraw/zinc/88/04/05/387880405.db2.gz QXAZHXOWWUUGSW-NEPJUHHUSA-N 2 3 239.407 1.576 20 0 BDADHP C[C@@H](N)C[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423140185 387917877 /nfs/dbraw/zinc/91/78/77/387917877.db2.gz XQJLCJRLNNXFNL-ZIAGYGMSSA-N 2 3 241.423 1.968 20 0 BDADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423255808 388036742 /nfs/dbraw/zinc/03/67/42/388036742.db2.gz AUBRGMUEMHECKU-IHRRRGAJSA-N 2 3 239.407 1.483 20 0 BDADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423291641 388076151 /nfs/dbraw/zinc/07/61/51/388076151.db2.gz JERALCMCHDZGTP-SRVKXCTJSA-N 2 3 235.375 1.922 20 0 BDADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423293263 388076492 /nfs/dbraw/zinc/07/64/92/388076492.db2.gz QPPQKBYMLODHOP-CQDKDKBSSA-N 2 3 247.386 1.923 20 0 BDADHP CCN(CC)CCC[NH2+][C@@H](C)CCC[NH3+] ZINC000336711061 388466106 /nfs/dbraw/zinc/46/61/06/388466106.db2.gz UGCWMOYPYZWPOX-LBPRGKRZSA-N 2 3 215.385 1.435 20 0 BDADHP N[C@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000520837672 388537074 /nfs/dbraw/zinc/53/70/74/388537074.db2.gz DBIOITSCESYYQA-XUXIUFHCSA-N 2 3 239.407 1.611 20 0 BDADHP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000224130150 134341768 /nfs/dbraw/zinc/34/17/68/134341768.db2.gz ITWKJRLLQNGQDL-HZSPNIEDSA-N 2 3 239.407 1.626 20 0 BDADHP CN(C)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000261792182 135253920 /nfs/dbraw/zinc/25/39/20/135253920.db2.gz GFADQDBZCJSNJT-CQSZACIVSA-N 2 3 239.407 1.402 20 0 BDADHP CN(C)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000261792182 135253921 /nfs/dbraw/zinc/25/39/21/135253921.db2.gz GFADQDBZCJSNJT-CQSZACIVSA-N 2 3 239.407 1.402 20 0 BDADHP NC[C@]12CCC[C@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000650709146 410338915 /nfs/dbraw/zinc/33/89/15/410338915.db2.gz GAKLCZJJDKVBEJ-KBPBESRZSA-N 2 3 237.391 1.047 20 0 BDADHP NC[C@]12CCC[C@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000650709146 410338919 /nfs/dbraw/zinc/33/89/19/410338919.db2.gz GAKLCZJJDKVBEJ-KBPBESRZSA-N 2 3 237.391 1.047 20 0 BDADHP [NH3+]CC1(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000650747525 410386949 /nfs/dbraw/zinc/38/69/49/410386949.db2.gz BSYYBXZHBYFYIX-ZIAGYGMSSA-N 2 3 245.370 1.850 20 0 BDADHP NC[C@H]1CCCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747790 410388930 /nfs/dbraw/zinc/38/89/30/410388930.db2.gz HUZHWGKZUBMRQK-VXGBXAGGSA-N 2 3 225.380 1.223 20 0 BDADHP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000650755865 410398705 /nfs/dbraw/zinc/39/87/05/410398705.db2.gz OLGUQUPKJINEID-SWLSCSKDSA-N 2 3 247.386 1.623 20 0 BDADHP C[C@@H]([NH2+]C[C@@H]1CCCN1)C1CC[NH+](C)CC1 ZINC000396458299 410881961 /nfs/dbraw/zinc/88/19/61/410881961.db2.gz OGYMXMUNIAEWDK-YPMHNXCESA-N 2 3 225.380 1.058 20 0 BDADHP C[C@@H]([NH2+]CCCNC1CC1)C1CC[NH+](C)CC1 ZINC000396525188 410887842 /nfs/dbraw/zinc/88/78/42/410887842.db2.gz PDMMUVBHDNGHPT-GFCCVEGCSA-N 2 3 239.407 1.448 20 0 BDADHP C[NH2+]Cc1ccccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656193696 411199246 /nfs/dbraw/zinc/19/92/46/411199246.db2.gz PPMFPGAFWHMNOQ-CABCVRRESA-N 2 3 247.386 1.766 20 0 BDADHP [NH3+]CCCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787327 411366441 /nfs/dbraw/zinc/36/64/41/411366441.db2.gz XMGZZZXFFDKCOP-ZDUSSCGKSA-N 2 3 225.380 1.047 20 0 BDADHP C[C@@H]1CC2(CN1C[C@@]13C[C@@H]1C[NH2+]C3)CC[NH2+]CC2 ZINC000663497188 411678985 /nfs/dbraw/zinc/67/89/85/411678985.db2.gz LGDJNSWINZORPG-NFAWXSAZSA-N 2 3 249.402 1.060 20 0 BDADHP C[C@@H]1CCC[N@H+](CCCN)[C@@H]1CCC[NH3+] ZINC000662317271 412097854 /nfs/dbraw/zinc/09/78/54/412097854.db2.gz PMGQXJNLHFDAKF-VXGBXAGGSA-N 2 3 213.369 1.175 20 0 BDADHP C[C@@H]1CCC[N@@H+](CCCN)[C@@H]1CCC[NH3+] ZINC000662317271 412097859 /nfs/dbraw/zinc/09/78/59/412097859.db2.gz PMGQXJNLHFDAKF-VXGBXAGGSA-N 2 3 213.369 1.175 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H](N)C2)CC[NH2+]1 ZINC000414913983 487827912 /nfs/dbraw/zinc/82/79/12/487827912.db2.gz JYVWYQVMODBNFC-FDYHWXHSSA-N 2 3 225.380 1.234 20 0 BDADHP CN(CCCCCC[NH3+])C1CC[NH2+]CC1 ZINC000146484201 582772440 /nfs/dbraw/zinc/77/24/40/582772440.db2.gz NNGFESWCWRUOSO-UHFFFAOYSA-N 2 3 213.369 1.189 20 0 BDADHP C[C@@H](N[C@H](C)[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873270548 584128783 /nfs/dbraw/zinc/12/87/83/584128783.db2.gz WSBIRQRPRJLIOZ-YRGRVCCFSA-N 2 3 239.407 1.495 20 0 BDADHP CC1(C)CNCC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000902406313 584574264 /nfs/dbraw/zinc/57/42/64/584574264.db2.gz RWGFOTGVCBEMLK-AGIUHOORSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CN ZINC000903459195 584765975 /nfs/dbraw/zinc/76/59/75/584765975.db2.gz DQYZNSIPRHGITP-ITGHMWBKSA-N 2 3 239.407 1.419 20 0 BDADHP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CN ZINC000903459195 584765976 /nfs/dbraw/zinc/76/59/76/584765976.db2.gz DQYZNSIPRHGITP-ITGHMWBKSA-N 2 3 239.407 1.419 20 0 BDADHP [NH3+]CC[C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903747248 584794694 /nfs/dbraw/zinc/79/46/94/584794694.db2.gz QMBULJLJDSDCRQ-KGLIPLIRSA-N 2 3 239.407 1.437 20 0 BDADHP CN(CCCCCC[NH3+])C[C@H]1CCCC[NH2+]C1 ZINC000903780001 584799553 /nfs/dbraw/zinc/79/95/53/584799553.db2.gz CJXXYHMERVIOJJ-AWEZNQCLSA-N 2 3 241.423 1.827 20 0 BDADHP [NH3+][C@H]1C[C@@H](CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000904297377 584860137 /nfs/dbraw/zinc/86/01/37/584860137.db2.gz KQNPVRIPXDJSMK-MQYQWHSLSA-N 2 3 237.391 1.188 20 0 BDADHP CC[NH+](CC)C[C@@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325191 584865333 /nfs/dbraw/zinc/86/53/33/584865333.db2.gz SECSCLOUIZQHSB-MELADBBJSA-N 2 3 239.407 1.387 20 0 BDADHP CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325191 584865334 /nfs/dbraw/zinc/86/53/34/584865334.db2.gz SECSCLOUIZQHSB-MELADBBJSA-N 2 3 239.407 1.387 20 0 BDADHP CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325191 584865335 /nfs/dbraw/zinc/86/53/35/584865335.db2.gz SECSCLOUIZQHSB-MELADBBJSA-N 2 3 239.407 1.387 20 0 BDADHP [NH3+]CC1CC([NH2+]CCNC2CCCCCC2)C1 ZINC000904350635 584869095 /nfs/dbraw/zinc/86/90/95/584869095.db2.gz NXOUKHRHVPJDAB-UHFFFAOYSA-N 2 3 239.407 1.626 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843344310 588102105 /nfs/dbraw/zinc/10/21/05/588102105.db2.gz VCWUSZXJDJFULE-QWRGUYRKSA-N 2 3 201.358 1.221 20 0 BDADHP NC[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846217081 588260455 /nfs/dbraw/zinc/26/04/55/588260455.db2.gz ZEYMZRXRRBAZHZ-LBPRGKRZSA-N 2 3 213.369 1.176 20 0 BDADHP NC[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846217081 588260456 /nfs/dbraw/zinc/26/04/56/588260456.db2.gz ZEYMZRXRRBAZHZ-LBPRGKRZSA-N 2 3 213.369 1.176 20 0 BDADHP [NH3+]CCCCCCN1CCC[C@@H](C[NH3+])C1 ZINC000846217081 588260457 /nfs/dbraw/zinc/26/04/57/588260457.db2.gz ZEYMZRXRRBAZHZ-LBPRGKRZSA-N 2 3 213.369 1.176 20 0 BDADHP C[C@@H]1C[C@H](CN)C[N@@H+]1CCCCCC[NH3+] ZINC000846220604 588261253 /nfs/dbraw/zinc/26/12/53/588261253.db2.gz RLARHIFASYOUIX-VXGBXAGGSA-N 2 3 213.369 1.175 20 0 BDADHP C[C@@H]1C[C@H](CN)C[N@H+]1CCCCCC[NH3+] ZINC000846220604 588261254 /nfs/dbraw/zinc/26/12/54/588261254.db2.gz RLARHIFASYOUIX-VXGBXAGGSA-N 2 3 213.369 1.175 20 0 BDADHP C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CC[NH2+]CC1 ZINC000873220096 589999054 /nfs/dbraw/zinc/99/90/54/589999054.db2.gz JJWYPPGYZLKSOH-CYZMBNFOSA-N 2 3 225.380 1.234 20 0 BDADHP CC(C)[C@@H](CN)C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873221032 589999265 /nfs/dbraw/zinc/99/92/65/589999265.db2.gz XZBJKNUGBYAABC-AAEUAGOBSA-N 2 3 227.396 1.195 20 0 BDADHP NC[C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261351 590013770 /nfs/dbraw/zinc/01/37/70/590013770.db2.gz NMYGVNCFNNSBEG-RGDJUOJXSA-N 2 3 237.391 1.234 20 0 BDADHP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000226345726 640749898 /nfs/dbraw/zinc/74/98/98/640749898.db2.gz IIQOERZJFYBNLD-OLZOCXBDSA-N 2 3 239.407 1.435 20 0 BDADHP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000226345738 640750096 /nfs/dbraw/zinc/75/00/96/640750096.db2.gz IIQOERZJFYBNLD-STQMWFEESA-N 2 3 239.407 1.435 20 0 BDADHP C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCNC1 ZINC000063120843 641134885 /nfs/dbraw/zinc/13/48/85/641134885.db2.gz LGBQSCAEOZCYFB-AWEZNQCLSA-N 2 3 239.407 1.260 20 0 BDADHP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCNC1 ZINC000063120843 641134888 /nfs/dbraw/zinc/13/48/88/641134888.db2.gz LGBQSCAEOZCYFB-AWEZNQCLSA-N 2 3 239.407 1.260 20 0 BDADHP CC[NH+](CC)CCCN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495765 644462972 /nfs/dbraw/zinc/46/29/72/644462972.db2.gz XQCAEYHWVOUPAA-KBPBESRZSA-N 2 3 241.423 1.635 20 0 BDADHP CCN(CC)CCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495765 644462980 /nfs/dbraw/zinc/46/29/80/644462980.db2.gz XQCAEYHWVOUPAA-KBPBESRZSA-N 2 3 241.423 1.635 20 0 BDADHP CCN(CC)CCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495765 644462985 /nfs/dbraw/zinc/46/29/85/644462985.db2.gz XQCAEYHWVOUPAA-KBPBESRZSA-N 2 3 241.423 1.635 20 0 BDADHP C[C@@H]1[NH2+]CCC[C@H]1NCCC1=CC[NH2+]CC1 ZINC000925703964 646429337 /nfs/dbraw/zinc/42/93/37/646429337.db2.gz FOANOWYRGDELJM-WCQYABFASA-N 2 3 223.364 1.026 20 0 BDADHP [NH3+]C[C@H]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925726506 646452054 /nfs/dbraw/zinc/45/20/54/646452054.db2.gz TVPPQWMSHCQSLQ-NNWKIESISA-N 2 3 249.402 1.090 20 0 BDADHP C[C@H]([NH2+][C@H]1CCNC12CCC2)C1CC[NH2+]CC1 ZINC000925731234 646456539 /nfs/dbraw/zinc/45/65/39/646456539.db2.gz ZLAWEUZHOQCNOO-AAEUAGOBSA-N 2 3 237.391 1.249 20 0 BDADHP C[C@H](N)C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236950133 979795800 /nfs/dbraw/zinc/79/58/00/979795800.db2.gz ZMQRZMNJWCQQIJ-LBPRGKRZSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@@H](N)C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236950132 979796747 /nfs/dbraw/zinc/79/67/47/979796747.db2.gz ZMQRZMNJWCQQIJ-GFCCVEGCSA-N 2 3 239.407 1.435 20 0 BDADHP CCCC[C@@H]1C[C@H]([NH2+]CCCC[NH2+]C)CCN1 ZINC001246206125 972216660 /nfs/dbraw/zinc/21/66/60/972216660.db2.gz XMJGENXVFCTZSI-ZIAGYGMSSA-N 2 3 241.423 1.886 20 0 BDADHP C[NH2+]CC1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001235678670 979117999 /nfs/dbraw/zinc/11/79/99/979117999.db2.gz OKPFCQRKVPHXBZ-AWEZNQCLSA-N 2 3 239.407 1.450 20 0 BDADHP CNCCC[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571787 979638683 /nfs/dbraw/zinc/63/86/83/979638683.db2.gz GYSCGLXNCWZANU-MQMHXKEQSA-N 2 3 239.407 1.720 20 0 BDADHP CNCCC[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571787 979638689 /nfs/dbraw/zinc/63/86/89/979638689.db2.gz GYSCGLXNCWZANU-MQMHXKEQSA-N 2 3 239.407 1.720 20 0 BDADHP CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577687585 984644690 /nfs/dbraw/zinc/64/46/90/984644690.db2.gz LICDGXQWMXFXAO-UPJWGTAASA-N 2 3 227.396 1.434 20 0 BDADHP CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H](C[NH3+])C3)[C@H]2C1 ZINC001578520783 985143768 /nfs/dbraw/zinc/14/37/68/985143768.db2.gz GNJWRIOZZTVYHJ-HPCHECBXSA-N 2 3 237.391 1.044 20 0 BDADHP C[NH+](C)CCCCCN[C@@H]1CCC[NH2+]C1 ZINC001246170937 987479007 /nfs/dbraw/zinc/47/90/07/987479007.db2.gz PBYMNVGIJKQLKU-GFCCVEGCSA-N 2 3 213.369 1.060 20 0 BDADHP CC[NH+](CC)CCCC[NH2+]C1CCNCC1 ZINC001246160239 987522013 /nfs/dbraw/zinc/52/20/13/987522013.db2.gz DGWQSTANIXAKDV-UHFFFAOYSA-N 2 3 227.396 1.450 20 0 BDADHP C[C@@H]1C[C@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001246168598 987535247 /nfs/dbraw/zinc/53/52/47/987535247.db2.gz DYVJZSOMHNRMRX-VXGBXAGGSA-N 2 3 237.391 1.249 20 0 BDADHP C(N[C@@H]1CCCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC001246185673 987560475 /nfs/dbraw/zinc/56/04/75/987560475.db2.gz VHWWHQJLTNJYIE-QWHCGFSZSA-N 2 3 237.391 1.108 20 0 BDADHP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CCNCC2)CC1 ZINC001246208014 987601846 /nfs/dbraw/zinc/60/18/46/987601846.db2.gz ZVAXWAUJGDQAPS-HAQNSBGRSA-N 2 3 225.380 1.093 20 0 BDADHP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1 ZINC001246210221 987605802 /nfs/dbraw/zinc/60/58/02/987605802.db2.gz IWYJCIXOGGLHMY-NWDGAFQWSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@@H]1CC[C@@H](NCC2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001246210680 987607285 /nfs/dbraw/zinc/60/72/85/987607285.db2.gz JMCDRYJEJJIFMD-VXGBXAGGSA-N 2 3 225.380 1.106 20 0 BDADHP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)CCN1 ZINC001246224045 987621964 /nfs/dbraw/zinc/62/19/64/987621964.db2.gz MTDILRVQCFDAGN-WUHRBBMRSA-N 2 3 225.380 1.234 20 0 BDADHP CN[C@H]1C[C@H]([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246459353 987816007 /nfs/dbraw/zinc/81/60/07/987816007.db2.gz FXTBPYYMBAUWPP-XUXIUFHCSA-N 2 3 237.391 1.249 20 0 BDADHP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C2CCNCC2)CC1 ZINC001246461537 987819078 /nfs/dbraw/zinc/81/90/78/987819078.db2.gz LMVFOVNDQXIZIF-BJHJDKERSA-N 2 3 225.380 1.201 20 0 BDADHP C[C@@]1(N)C[C@H]([NH2+]C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246464697 987822843 /nfs/dbraw/zinc/82/28/43/987822843.db2.gz SRBHACGVNVKXPD-AKJUYKBHSA-N 2 3 237.391 1.378 20 0 BDADHP C[C@@H]1C[C@@H](N2CCC(C[NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246537145 987893954 /nfs/dbraw/zinc/89/39/54/987893954.db2.gz FJNOBYRGVJPWOW-PTEHBNRSSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@@H]1C[C@@H]([NH+]2CCC(C[NH3+])CC2)C[C@H](C)N1 ZINC001246537145 987893957 /nfs/dbraw/zinc/89/39/57/987893957.db2.gz FJNOBYRGVJPWOW-PTEHBNRSSA-N 2 3 225.380 1.186 20 0 BDADHP C[C@@H]1CC[N@@H+](C2CCNCC2)CC[C@@H]1C[NH3+] ZINC001246553973 987948062 /nfs/dbraw/zinc/94/80/62/987948062.db2.gz ALZIPVXPWIIPRF-VXGBXAGGSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H]1CC[N@H+](C2CCNCC2)CC[C@@H]1C[NH3+] ZINC001246553973 987948069 /nfs/dbraw/zinc/94/80/69/987948069.db2.gz ALZIPVXPWIIPRF-VXGBXAGGSA-N 2 3 225.380 1.045 20 0 BDADHP C[NH2+]CC1CC[NH+]([C@H]2CCN[C@@H](C)C2)CC1 ZINC001246783132 988463236 /nfs/dbraw/zinc/46/32/36/988463236.db2.gz WLPBFYVQPUMGPI-AAEUAGOBSA-N 2 3 225.380 1.058 20 0 BDADHP C[NH2+]C[C@@H](C)CN[C@H](CCC[NH3+])c1ccccc1 ZINC001119630776 989265401 /nfs/dbraw/zinc/26/54/01/989265401.db2.gz JTRDNZPWRMNENS-UKRRQHHQSA-N 2 3 249.402 1.912 20 0 BDADHP CC1(C)CNCC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000634732819 344108136 /nfs/dbraw/zinc/10/81/36/344108136.db2.gz PQKBCFDHEYWBCT-CYBMUJFWSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@H]1C[C@@H](C[NH2+][C@]23CCC[C@@H]2CNC3)CC[NH2+]1 ZINC000634733432 344113300 /nfs/dbraw/zinc/11/33/00/344113300.db2.gz FRKNAIIMWKJQFY-FQUUOJAGSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@@H]1C[C@H](CN2C[C@@H]3CCC[C@]3([NH3+])C2)CC[NH2+]1 ZINC000622004225 344181939 /nfs/dbraw/zinc/18/19/39/344181939.db2.gz MCEAGRRZZKZLQH-MQYQWHSLSA-N 2 3 237.391 1.188 20 0 BDADHP CC(C)[C@H](CN)C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000634995507 345185033 /nfs/dbraw/zinc/18/50/33/345185033.db2.gz HBLVSMJYWKPWDD-CHWSQXEVSA-N 2 3 227.396 1.339 20 0 BDADHP NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635007841 345214902 /nfs/dbraw/zinc/21/49/02/345214902.db2.gz XYHMLTLJQPHBRA-ZDEQEGDKSA-N 2 3 225.380 1.221 20 0 BDADHP CCN(CC)CCC[NH+]1CCC(C[NH2+]C)CC1 ZINC000420297709 192204741 /nfs/dbraw/zinc/20/47/41/192204741.db2.gz RLMWTOTYSQHKTE-UHFFFAOYSA-N 2 3 241.423 1.650 20 0 BDADHP C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000578626325 366612930 /nfs/dbraw/zinc/61/29/30/366612930.db2.gz JPBWYGBZEUMTNG-YFKTTZPYSA-N 2 3 213.369 1.090 20 0 BDADHP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCNC12CCC2 ZINC000629512526 361107509 /nfs/dbraw/zinc/10/75/09/361107509.db2.gz CRHBWPWWLQCXIE-NWDGAFQWSA-N 2 3 225.380 1.378 20 0 BDADHP C[C@H](CCCC[NH3+])N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535903 361398005 /nfs/dbraw/zinc/39/80/05/361398005.db2.gz DHZNECDGRHYESE-UTUOFQBUSA-N 2 3 213.369 1.234 20 0 BDADHP [NH3+]CC[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000442928009 193005561 /nfs/dbraw/zinc/00/55/61/193005561.db2.gz PAWYIXSTWLJVJQ-CHWSQXEVSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000442928009 193005566 /nfs/dbraw/zinc/00/55/66/193005566.db2.gz PAWYIXSTWLJVJQ-CHWSQXEVSA-N 2 3 225.380 1.047 20 0 BDADHP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000442928009 193005568 /nfs/dbraw/zinc/00/55/68/193005568.db2.gz PAWYIXSTWLJVJQ-CHWSQXEVSA-N 2 3 225.380 1.047 20 0 BDADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000089150427 368937612 /nfs/dbraw/zinc/93/76/12/368937612.db2.gz XVXLBZXTWOOEHD-ZIAGYGMSSA-N 2 3 239.407 1.435 20 0 BDADHP C1[NH2+]C[C@H]2C[C@H](N[C@H]3CCCC[NH2+]C3)CC[C@@H]12 ZINC000647548184 384749818 /nfs/dbraw/zinc/74/98/18/384749818.db2.gz XZFBANQLQCKPNT-DGAVXFQQSA-N 2 3 237.391 1.106 20 0 BDADHP C[C@@H](N)[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665200 386107600 /nfs/dbraw/zinc/10/76/00/386107600.db2.gz UUJDOEKVCJTPSP-SYQHCUMBSA-N 2 3 239.407 1.434 20 0 BDADHP C[C@@H](N)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665200 386107603 /nfs/dbraw/zinc/10/76/03/386107603.db2.gz UUJDOEKVCJTPSP-SYQHCUMBSA-N 2 3 239.407 1.434 20 0 BDADHP C([C@@H]1CC[NH2+]C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000647987700 386278477 /nfs/dbraw/zinc/27/84/77/386278477.db2.gz RVMXJXQHFGEHHU-TZMCWYRMSA-N 2 3 237.391 1.060 20 0 BDADHP C[C@H]1C[C@H](CN)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647905006 386583326 /nfs/dbraw/zinc/58/33/26/386583326.db2.gz DBJUDPFTICWRPT-GXTWGEPZSA-N 2 3 239.407 1.435 20 0 BDADHP C[C@H]1C[C@H](CN)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647905006 386583331 /nfs/dbraw/zinc/58/33/31/386583331.db2.gz DBJUDPFTICWRPT-GXTWGEPZSA-N 2 3 239.407 1.435 20 0 BDADHP CN(CC1CC[NH+](C)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000063125164 386538898 /nfs/dbraw/zinc/53/88/98/386538898.db2.gz ADQXGNAIRKOYFD-CQSZACIVSA-N 2 3 239.407 1.260 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2CCN)CC[NH2+]1 ZINC000414794988 386569282 /nfs/dbraw/zinc/56/92/82/386569282.db2.gz UMRXENSFHNMGSD-MCIONIFRSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2CCN)CC[NH2+]1 ZINC000414794988 386569290 /nfs/dbraw/zinc/56/92/90/386569290.db2.gz UMRXENSFHNMGSD-MCIONIFRSA-N 2 3 239.407 1.578 20 0 BDADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C)[C@H](CN)C2)CC[NH2+]1 ZINC000415126026 386628173 /nfs/dbraw/zinc/62/81/73/386628173.db2.gz LWDNJXXLLUKTKI-AAVRWANBSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)[C@H](CN)C2)CC[NH2+]1 ZINC000415126026 386628180 /nfs/dbraw/zinc/62/81/80/386628180.db2.gz LWDNJXXLLUKTKI-AAVRWANBSA-N 2 3 239.407 1.291 20 0 BDADHP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCCNC1 ZINC000414825351 386690710 /nfs/dbraw/zinc/69/07/10/386690710.db2.gz SHIVCJFWSCPXNM-ZIHBUVQPSA-N 2 3 239.407 1.482 20 0 BDADHP [NH3+]C[C@@H]1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000331604048 386875102 /nfs/dbraw/zinc/87/51/02/386875102.db2.gz OJRNEHATODVNRW-PKIAMQTDSA-N 2 3 245.370 1.848 20 0 BDADHP [NH3+]C[C@@H]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000331604038 386875130 /nfs/dbraw/zinc/87/51/30/386875130.db2.gz OJRNEHATODVNRW-BAESOJJISA-N 2 3 245.370 1.848 20 0 BDADHP CC[N@@H+]1CC[C@H](NCC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000423330256 387176369 /nfs/dbraw/zinc/17/63/69/387176369.db2.gz BQUVRNYAAJQDMF-OCCSQVGLSA-N 2 3 237.391 1.226 20 0 BDADHP CC[N@H+]1CC[C@H](NCC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000423330256 387176371 /nfs/dbraw/zinc/17/63/71/387176371.db2.gz BQUVRNYAAJQDMF-OCCSQVGLSA-N 2 3 237.391 1.226 20 0 BDADHP C[C@H](CCCC[NH3+])NC[C@@H]1CCCC[NH2+]1 ZINC000643502353 387364438 /nfs/dbraw/zinc/36/44/38/387364438.db2.gz DHXJOVUFVZAICR-NEPJUHHUSA-N 2 3 213.369 1.236 20 0 BDADHP C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000423545684 387369645 /nfs/dbraw/zinc/36/96/45/387369645.db2.gz JWOHOCNZLLZDIM-MRTXSQPYSA-N 2 3 237.391 1.105 20 0 BDADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCN1 ZINC000423545684 387369650 /nfs/dbraw/zinc/36/96/50/387369650.db2.gz JWOHOCNZLLZDIM-MRTXSQPYSA-N 2 3 237.391 1.105 20 0 BDADHP N[C@@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc21 ZINC000572392502 387380540 /nfs/dbraw/zinc/38/05/40/387380540.db2.gz UNFYBORIWVNHJB-CABCVRRESA-N 2 3 243.354 1.641 20 0 BDADHP N[C@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc21 ZINC000572392505 387381456 /nfs/dbraw/zinc/38/14/56/387381456.db2.gz UNFYBORIWVNHJB-LSDHHAIUSA-N 2 3 243.354 1.641 20 0 BDADHP CC(C)C[C@@H](N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042388568 387628007 /nfs/dbraw/zinc/62/80/07/387628007.db2.gz KNFMDVXQAAPECS-CQSZACIVSA-N 2 3 241.423 1.633 20 0 BDADHP CCC[NH+]1CCC(C[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000422734077 387641036 /nfs/dbraw/zinc/64/10/36/387641036.db2.gz CGCMSJMMYMUREW-CHWSQXEVSA-N 2 3 241.423 1.824 20 0 BDADHP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)C1CNC1 ZINC000423126976 387904595 /nfs/dbraw/zinc/90/45/95/387904595.db2.gz BKVRVKNWWMQAMH-ZDUSSCGKSA-N 2 3 239.407 1.450 20 0 BDADHP C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423283588 388065027 /nfs/dbraw/zinc/06/50/27/388065027.db2.gz XLYHTBDGYYEJKO-MGPQQGTHSA-N 2 3 239.407 1.354 20 0 BDADHP C[C@H]([NH3+])c1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423293264 388075503 /nfs/dbraw/zinc/07/55/03/388075503.db2.gz QPPQKBYMLODHOP-GLQYFDAESA-N 2 3 247.386 1.923 20 0 BDADHP C[C@H]1C[C@H]([NH3+])CCN1CCC1CC[NH2+]CC1 ZINC000516580281 388356485 /nfs/dbraw/zinc/35/64/85/388356485.db2.gz FNOBWWPJRWKRQF-WCQYABFASA-N 2 3 225.380 1.188 20 0 BDADHP C[C@H]1C[C@H](N)CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000516580281 388356488 /nfs/dbraw/zinc/35/64/88/388356488.db2.gz FNOBWWPJRWKRQF-WCQYABFASA-N 2 3 225.380 1.188 20 0 BDADHP C[C@H]1C[C@H](N)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000516580281 388356492 /nfs/dbraw/zinc/35/64/92/388356492.db2.gz FNOBWWPJRWKRQF-WCQYABFASA-N 2 3 225.380 1.188 20 0 BDADHP [NH3+]Cc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000565599132 388956969 /nfs/dbraw/zinc/95/69/69/388956969.db2.gz MKXDTHJDUHCYBA-CABCVRRESA-N 2 3 247.386 1.752 20 0 BDADHP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000084220976 135193329 /nfs/dbraw/zinc/19/33/29/135193329.db2.gz GOCIWWDFYQOGSE-STQMWFEESA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000334277252 135333261 /nfs/dbraw/zinc/33/32/61/135333261.db2.gz SQSCNCVZYFUSFP-AAEUAGOBSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H](N)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000334277252 135333262 /nfs/dbraw/zinc/33/32/62/135333262.db2.gz SQSCNCVZYFUSFP-AAEUAGOBSA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H](N)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000334277255 135333804 /nfs/dbraw/zinc/33/38/04/135333804.db2.gz SQSCNCVZYFUSFP-YPMHNXCESA-N 2 3 225.380 1.045 20 0 BDADHP C[C@@H](N)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000334277255 135333805 /nfs/dbraw/zinc/33/38/05/135333805.db2.gz SQSCNCVZYFUSFP-YPMHNXCESA-N 2 3 225.380 1.045 20 0 BDADHP C[C@H]1CCNCC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335568338 136108117 /nfs/dbraw/zinc/10/81/17/136108117.db2.gz KCCSQLSVAIEJQQ-QWHCGFSZSA-N 2 3 239.407 1.354 20 0 BDADHP C[NH2+]Cc1ccccc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000650755560 410402724 /nfs/dbraw/zinc/40/27/24/410402724.db2.gz HPGFZMHESKPZSJ-VXGBXAGGSA-N 2 3 235.375 1.621 20 0 BDADHP CCC[NH2+]CCN[C@H](C)C1CC[NH+](C)CC1 ZINC000643515251 411285365 /nfs/dbraw/zinc/28/53/65/411285365.db2.gz SWKCWYPBSUXJCE-GFCCVEGCSA-N 2 3 227.396 1.306 20 0 BDADHP [NH3+]CCCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787326 411366339 /nfs/dbraw/zinc/36/63/39/411366339.db2.gz XMGZZZXFFDKCOP-CYBMUJFWSA-N 2 3 225.380 1.047 20 0 BDADHP CC(C)[C@H](N)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000665281754 412226494 /nfs/dbraw/zinc/22/64/94/412226494.db2.gz KHNFURGVXHBRDK-NWDGAFQWSA-N 2 3 215.385 1.467 20 0 BDADHP [NH3+][C@@H]1CCCCC[C@@H]1NCC1=CC[NH2+]CC1 ZINC000567654265 326239347 /nfs/dbraw/zinc/23/93/47/326239347.db2.gz KIMJIOJPESNIMG-OLZOCXBDSA-N 2 3 223.364 1.156 20 0 BDADHP C[NH+](C)CCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084216628 535832320 /nfs/dbraw/zinc/83/23/20/535832320.db2.gz LUJFIKGVGYHZLN-OLZOCXBDSA-N 2 3 227.396 1.435 20 0 BDADHP CC1(C)C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[C@@H](N)C1 ZINC000902491284 584617997 /nfs/dbraw/zinc/61/79/97/584617997.db2.gz WVKUCTKPEGMCDT-KKOKHZNYSA-N 2 3 225.380 1.219 20 0 BDADHP CC1(C)CNCC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902491341 584618161 /nfs/dbraw/zinc/61/81/61/584618161.db2.gz XUGRRXHTUOMYAZ-IJLUTSLNSA-N 2 3 225.380 1.092 20 0 BDADHP [NH3+]C[C@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000902488938 584627474 /nfs/dbraw/zinc/62/74/74/584627474.db2.gz OTGNKSWGZGCCFL-DHGKCCLASA-N 2 3 237.391 1.234 20 0 BDADHP CC[NH2+]CC1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903425134 584765383 /nfs/dbraw/zinc/76/53/83/584765383.db2.gz UFAWKFXWPKHDFI-OCCSQVGLSA-N 2 3 239.407 1.163 20 0 BDADHP [NH3+]CCC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903769050 584797753 /nfs/dbraw/zinc/79/77/53/584797753.db2.gz YMKATEIOMLVRFO-AWEZNQCLSA-N 2 3 239.407 1.437 20 0 BDADHP C[C@@H](N)[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872731 584815255 /nfs/dbraw/zinc/81/52/55/584815255.db2.gz AYNBZVPKVQCFFW-IUKMKKQMSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@@H](N)[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872731 584815256 /nfs/dbraw/zinc/81/52/56/584815256.db2.gz AYNBZVPKVQCFFW-IUKMKKQMSA-N 2 3 237.391 1.186 20 0 BDADHP C[C@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000903920407 584823409 /nfs/dbraw/zinc/82/34/09/584823409.db2.gz UPWIWZKKMSGTJM-KZWUZSNJSA-N 2 3 237.391 1.247 20 0 BDADHP CC(C)(N)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000903939323 584824848 /nfs/dbraw/zinc/82/48/48/584824848.db2.gz FXMYSQRDVIPFCA-SDDRHHMPSA-N 2 3 225.380 1.092 20 0 BDADHP C[C@@H]1C[C@@H](C[NH2+]CCC(C)(C)N)CC[NH2+]1 ZINC000903939457 584826117 /nfs/dbraw/zinc/82/61/17/584826117.db2.gz IBEMINULQSPKGY-MNOVXSKESA-N 2 3 213.369 1.092 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+]CCC(C)(C)N)CC[NH2+]1 ZINC000903939456 584826210 /nfs/dbraw/zinc/82/62/10/584826210.db2.gz IBEMINULQSPKGY-GHMZBOCLSA-N 2 3 213.369 1.092 20 0 BDADHP CC(C)[C@@H](CN)C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978419 584833247 /nfs/dbraw/zinc/83/32/47/584833247.db2.gz FAYQMWZIYFQIMJ-UPJWGTAASA-N 2 3 227.396 1.053 20 0 BDADHP CC(C)(C)CC[C@@H](N)C[NH+]1CCC(C[NH3+])CC1 ZINC000904300145 584861370 /nfs/dbraw/zinc/86/13/70/584861370.db2.gz XFSGFWDSGROCED-CYBMUJFWSA-N 2 3 241.423 1.811 20 0 BDADHP C[C@]1(C[NH3+])CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904334441 584866375 /nfs/dbraw/zinc/86/63/75/584866375.db2.gz WEFXTEFNDNWFHS-CQSZACIVSA-N 2 3 233.359 1.316 20 0 BDADHP [NH3+][C@H]1C[C@@H](CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000904358712 584872329 /nfs/dbraw/zinc/87/23/29/584872329.db2.gz ROBZAOMWFHWDME-IGQOVBAYSA-N 2 3 237.391 1.188 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@]1(C)CCCNC1 ZINC000904389168 584875745 /nfs/dbraw/zinc/87/57/45/584875745.db2.gz SKWSNGRGHOZAEM-MCIONIFRSA-N 2 3 239.407 1.211 20 0 BDADHP C[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1CCN ZINC000904376249 584876190 /nfs/dbraw/zinc/87/61/90/584876190.db2.gz NHKARBJZXCDIEV-WUHRBBMRSA-N 2 3 225.380 1.173 20 0 BDADHP C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1CCN ZINC000904376249 584876192 /nfs/dbraw/zinc/87/61/92/584876192.db2.gz NHKARBJZXCDIEV-WUHRBBMRSA-N 2 3 225.380 1.173 20 0 BDADHP C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1CCN ZINC000904376247 584876348 /nfs/dbraw/zinc/87/63/48/584876348.db2.gz NHKARBJZXCDIEV-NDBYEHHHSA-N 2 3 225.380 1.173 20 0 BDADHP C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1CCN ZINC000904376247 584876350 /nfs/dbraw/zinc/87/63/50/584876350.db2.gz NHKARBJZXCDIEV-NDBYEHHHSA-N 2 3 225.380 1.173 20 0 BDADHP CN(CCCCCC[NH3+])C[C@]1(C)CCC[NH2+]C1 ZINC000904383598 584877506 /nfs/dbraw/zinc/87/75/06/584877506.db2.gz CTGISRFDDOKKMX-CQSZACIVSA-N 2 3 241.423 1.827 20 0 BDADHP C[N@H+](CCCCCC[NH3+])C[C@]1(C)CCCNC1 ZINC000904383598 584877507 /nfs/dbraw/zinc/87/75/07/584877507.db2.gz CTGISRFDDOKKMX-CQSZACIVSA-N 2 3 241.423 1.827 20 0 BDADHP C[N@@H+](CCCCCC[NH3+])C[C@]1(C)CCCNC1 ZINC000904383598 584877508 /nfs/dbraw/zinc/87/75/08/584877508.db2.gz CTGISRFDDOKKMX-CQSZACIVSA-N 2 3 241.423 1.827 20 0 BDADHP C[C@]1(CNCCCCCC[NH3+])CC[NH2+]C1 ZINC000843127621 588082457 /nfs/dbraw/zinc/08/24/57/588082457.db2.gz FGIADZULKIRDPV-GFCCVEGCSA-N 2 3 213.369 1.095 20 0 BDADHP [NH3+]CCCCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000843340776 588100895 /nfs/dbraw/zinc/10/08/95/588100895.db2.gz DZZXIYXCGGLFDV-UONOGXRCSA-N 2 3 239.407 1.722 20 0 BDADHP [NH3+]CCCCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000843340776 588100896 /nfs/dbraw/zinc/10/08/96/588100896.db2.gz DZZXIYXCGGLFDV-UONOGXRCSA-N 2 3 239.407 1.722 20 0 BDADHP [NH3+]CCCCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000843340776 588100897 /nfs/dbraw/zinc/10/08/97/588100897.db2.gz DZZXIYXCGGLFDV-UONOGXRCSA-N 2 3 239.407 1.722 20 0 BDADHP [NH3+]CCCCCC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000846220533 588261492 /nfs/dbraw/zinc/26/14/92/588261492.db2.gz JYJQCIRHWAMWAC-AWEZNQCLSA-N 2 3 239.407 1.581 20 0 BDADHP [NH3+]CCCCCC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000846220533 588261493 /nfs/dbraw/zinc/26/14/93/588261493.db2.gz JYJQCIRHWAMWAC-AWEZNQCLSA-N 2 3 239.407 1.581 20 0 BDADHP [NH3+]CCCCCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000846220533 588261494 /nfs/dbraw/zinc/26/14/94/588261494.db2.gz JYJQCIRHWAMWAC-AWEZNQCLSA-N 2 3 239.407 1.581 20 0 BDADHP C[C@H]1CC[N@H+](CCCCCC[NH3+])C[C@@H]1CN ZINC000846223073 588261835 /nfs/dbraw/zinc/26/18/35/588261835.db2.gz GMGQTPGXVTVPIE-STQMWFEESA-N 2 3 227.396 1.422 20 0 BDADHP C[C@H]1CC[N@@H+](CCCCCC[NH3+])C[C@@H]1CN ZINC000846223073 588261836 /nfs/dbraw/zinc/26/18/36/588261836.db2.gz GMGQTPGXVTVPIE-STQMWFEESA-N 2 3 227.396 1.422 20 0 BDADHP C[C@H]1CCN(CCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000846223073 588261837 /nfs/dbraw/zinc/26/18/37/588261837.db2.gz GMGQTPGXVTVPIE-STQMWFEESA-N 2 3 227.396 1.422 20 0 BDADHP C[C@@H]1C[C@H](C[NH2+][C@@]23CCC[C@H]2NCC3)CC[NH2+]1 ZINC000873231852 590002973 /nfs/dbraw/zinc/00/29/73/590002973.db2.gz SAKYRSIBWZCTDL-AAVRWANBSA-N 2 3 237.391 1.249 20 0 BDADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250301 590007155 /nfs/dbraw/zinc/00/71/55/590007155.db2.gz OWJYJVBLFQCJDR-ZMLRMANQSA-N 2 3 248.374 1.237 20 0 BDADHP N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260770 590013711 /nfs/dbraw/zinc/01/37/11/590013711.db2.gz HEUSOYQSSNRJDB-XGFWRYKXSA-N 2 3 237.391 1.377 20 0 BDADHP C[C@@H]([NH2+][C@H]1CCC[C@@H]1CN)C1CC[NH2+]CC1 ZINC000873270427 590015944 /nfs/dbraw/zinc/01/59/44/590015944.db2.gz UCGHNTSLTYOEEI-RTXFEEFZSA-N 2 3 225.380 1.092 20 0 BDADHP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C1CC[NH2+]CC1 ZINC000873271426 590016300 /nfs/dbraw/zinc/01/63/00/590016300.db2.gz IBKPKSOZOPUROZ-IACUBPJLSA-N 2 3 239.407 1.482 20 0 BDADHP C[C@H](CCCC[NH3+])N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925704286 634383342 /nfs/dbraw/zinc/38/33/42/634383342.db2.gz FQHFFUZFLDUYKG-BBMNEWJDSA-N 2 3 237.391 1.090 20 0 BDADHP CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H]2CCCN[C@@H]21 ZINC000925727183 634524171 /nfs/dbraw/zinc/52/41/71/634524171.db2.gz NEXJEFOPYPHRQE-RXGFPQBGSA-N 2 3 237.391 1.090 20 0 BDADHP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000229938018 640996599 /nfs/dbraw/zinc/99/65/99/640996599.db2.gz VFNQAVYEZPNQMP-KBPBESRZSA-N 2 3 239.407 1.435 20 0 BDADHP CC[NH+](CC)CCCN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495766 644463586 /nfs/dbraw/zinc/46/35/86/644463586.db2.gz XQCAEYHWVOUPAA-KGLIPLIRSA-N 2 3 241.423 1.635 20 0 BDADHP CCN(CC)CCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495766 644463592 /nfs/dbraw/zinc/46/35/92/644463592.db2.gz XQCAEYHWVOUPAA-KGLIPLIRSA-N 2 3 241.423 1.635 20 0 BDADHP CCN(CC)CCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495766 644463598 /nfs/dbraw/zinc/46/35/98/644463598.db2.gz XQCAEYHWVOUPAA-KGLIPLIRSA-N 2 3 241.423 1.635 20 0 BDADHP C[C@@H]1C[NH2+]C[C@H](NCCCCCC[NH3+])C1 ZINC000843129629 645267681 /nfs/dbraw/zinc/26/76/81/645267681.db2.gz QTZOXYBDHFIIGX-NWDGAFQWSA-N 2 3 213.369 1.093 20 0 BDADHP C[C@H]1[NH2+]CCC[C@@H]1NCCC1=CC[NH2+]CC1 ZINC000925703966 646428822 /nfs/dbraw/zinc/42/88/22/646428822.db2.gz FOANOWYRGDELJM-YPMHNXCESA-N 2 3 223.364 1.026 20 0 BDADHP C[C@@H]1[NH2+]CCC[C@@H]1NCCC1=CC[NH2+]CC1 ZINC000925703958 646429454 /nfs/dbraw/zinc/42/94/54/646429454.db2.gz FOANOWYRGDELJM-AAEUAGOBSA-N 2 3 223.364 1.026 20 0 BDADHP CC1(C)[C@H]([NH2+]CC2CC([NH3+])C2)[C@@H]2CCCN[C@@H]21 ZINC000925730111 646453580 /nfs/dbraw/zinc/45/35/80/646453580.db2.gz NEXJEFOPYPHRQE-UDSBESMDSA-N 2 3 237.391 1.090 20 0 BDADHP C[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CC[NH2+]CC1 ZINC000925731236 646455693 /nfs/dbraw/zinc/45/56/93/646455693.db2.gz ZLAWEUZHOQCNOO-WCQYABFASA-N 2 3 237.391 1.249 20 0 BDADHP C[C@@H](NCC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000925798363 646486535 /nfs/dbraw/zinc/48/65/35/646486535.db2.gz WHQUBJLHBFAPHB-AAVRWANBSA-N 2 3 239.407 1.352 20 0 BDADHP