smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH3+])C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000381708834 398270621 /nfs/dbraw/zinc/27/06/21/398270621.db2.gz JXVFPKCMAOZGIJ-QWRGUYRKSA-N 2 3 211.353 0.655 20 0 BCADHP C[NH2+]CC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000381835933 398274892 /nfs/dbraw/zinc/27/48/92/398274892.db2.gz OTBJZFSOMRLMGI-LBPRGKRZSA-N 2 3 211.353 0.527 20 0 BCADHP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000634733749 344113839 /nfs/dbraw/zinc/11/38/39/344113839.db2.gz MUNPLJPMZNVAEF-RQJABVFESA-N 2 3 237.391 0.964 20 0 BCADHP C[C@H]1C[C@@H]([NH3+])CCN1CC1CC[NH2+]CC1 ZINC000309464905 347069109 /nfs/dbraw/zinc/06/91/09/347069109.db2.gz PTDCCCMWGCWDMM-JQWIXIFHSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@H]1C[C@@H](N)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000309464905 347069113 /nfs/dbraw/zinc/06/91/13/347069113.db2.gz PTDCCCMWGCWDMM-JQWIXIFHSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@H]1C[C@@H](N)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000309464905 347069115 /nfs/dbraw/zinc/06/91/15/347069115.db2.gz PTDCCCMWGCWDMM-JQWIXIFHSA-N 2 3 211.353 0.798 20 0 BCADHP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1 ZINC000635004003 345207199 /nfs/dbraw/zinc/20/71/99/345207199.db2.gz GMRRBJMUBOIZAW-XYPYZODXSA-N 2 3 211.353 0.846 20 0 BCADHP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C1CNC1 ZINC000635005406 345209339 /nfs/dbraw/zinc/20/93/39/345209339.db2.gz NEAXWBURYYDLNW-NHCYSSNCSA-N 2 3 211.353 0.701 20 0 BCADHP C(CN1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC000335391815 187311022 /nfs/dbraw/zinc/31/10/22/187311022.db2.gz JCURTFLEXLQYAX-STQMWFEESA-N 2 3 223.364 0.671 20 0 BCADHP C[C@@H]([NH3+])C1CC[NH+](CC2(CN)CC2)CC1 ZINC000571208255 350869994 /nfs/dbraw/zinc/86/99/94/350869994.db2.gz MNTKWJUFEXPFHB-SNVBAGLBSA-N 2 3 211.353 0.785 20 0 BCADHP NCC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000335255635 355187484 /nfs/dbraw/zinc/18/74/84/355187484.db2.gz IBRSWXYOLDZAPZ-TXEJJXNPSA-N 2 3 223.364 0.657 20 0 BCADHP NCC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000335255635 355187486 /nfs/dbraw/zinc/18/74/86/355187486.db2.gz IBRSWXYOLDZAPZ-TXEJJXNPSA-N 2 3 223.364 0.657 20 0 BCADHP [NH3+]C[C@@H]1CCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420292662 192203755 /nfs/dbraw/zinc/20/37/55/192203755.db2.gz PUQANGORTNXRLO-NEPJUHHUSA-N 2 3 211.353 0.799 20 0 BCADHP CN(CC[C@@H]1CC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000420291289 192203907 /nfs/dbraw/zinc/20/39/07/192203907.db2.gz NCNCBCKDGYTAEL-NSHDSACASA-N 2 3 213.369 0.903 20 0 BCADHP COC[C@@H](CCC[NH3+])[NH2+]CCCN1CCCC1 ZINC000234716353 357819481 /nfs/dbraw/zinc/81/94/81/357819481.db2.gz LVSCWJBBIGJCIW-CYBMUJFWSA-N 2 3 243.395 0.816 20 0 BCADHP COC[C@@H](CCC[NH3+])NCCC[NH+]1CCCC1 ZINC000234716353 357819482 /nfs/dbraw/zinc/81/94/82/357819482.db2.gz LVSCWJBBIGJCIW-CYBMUJFWSA-N 2 3 243.395 0.816 20 0 BCADHP CC[NH+]1CCC(NCCOCC[NH2+]C)CC1 ZINC000629392653 361042395 /nfs/dbraw/zinc/04/23/95/361042395.db2.gz RINOZKTYUYBKQE-UHFFFAOYSA-N 2 3 229.368 0.296 20 0 BCADHP C[NH2+]CCOCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000629531422 361149121 /nfs/dbraw/zinc/14/91/21/361149121.db2.gz KRUOTCANAVXHEP-NWDGAFQWSA-N 2 3 229.368 0.200 20 0 BCADHP C[C@@H]1NCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000629547870 361431248 /nfs/dbraw/zinc/43/12/48/361431248.db2.gz VUGMAUISBZSJJB-WNYYMSAVSA-N 2 3 211.353 0.844 20 0 BCADHP C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CN1 ZINC000629553612 361438373 /nfs/dbraw/zinc/43/83/73/361438373.db2.gz BMVSODYCIXCVSY-DDHJBXDOSA-N 2 3 209.337 0.326 20 0 BCADHP C[C@]12C[NH2+]C[C@@]1(C)CN(CC[C@H]1CC[NH2+]C1)C2 ZINC000629593187 361484985 /nfs/dbraw/zinc/48/49/85/361484985.db2.gz HQRBVDUVWNBVEJ-MCIONIFRSA-N 2 3 237.391 0.917 20 0 BCADHP C[C@@H]1CC[C@H](NCC2CC[NH2+]CC2)C[NH2+]1 ZINC000629660312 361565260 /nfs/dbraw/zinc/56/52/60/361565260.db2.gz RJRRLUUTVOSUDB-PWSUYJOCSA-N 2 3 211.353 0.716 20 0 BCADHP C[C@@H](C[C@H]1CCC[NH2+]1)NCCOCCC[NH3+] ZINC000629677874 361601070 /nfs/dbraw/zinc/60/10/70/361601070.db2.gz IKJDCLRDKKVMNP-NWDGAFQWSA-N 2 3 229.368 0.472 20 0 BCADHP C[NH2+]C[C@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000573445405 364835266 /nfs/dbraw/zinc/83/52/66/364835266.db2.gz VEIBTKZVHDWSEP-QWHCGFSZSA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000575989077 365436702 /nfs/dbraw/zinc/43/67/02/365436702.db2.gz NOONYBGDYKDEAC-RYUDHWBXSA-N 2 3 211.353 0.527 20 0 BCADHP CNC[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000575989077 365436707 /nfs/dbraw/zinc/43/67/07/365436707.db2.gz NOONYBGDYKDEAC-RYUDHWBXSA-N 2 3 211.353 0.527 20 0 BCADHP C[NH2+]C[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000575989077 365436713 /nfs/dbraw/zinc/43/67/13/365436713.db2.gz NOONYBGDYKDEAC-RYUDHWBXSA-N 2 3 211.353 0.527 20 0 BCADHP C[C@@H]1C[C@@H](N)CC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000579607615 366905784 /nfs/dbraw/zinc/90/57/84/366905784.db2.gz HEJJKKAMYXUJPR-WOPDTQHZSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1C[C@@H](N)CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000579607615 366905791 /nfs/dbraw/zinc/90/57/91/366905791.db2.gz HEJJKKAMYXUJPR-WOPDTQHZSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1C[C@H](N)CC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000579607613 366906170 /nfs/dbraw/zinc/90/61/70/366906170.db2.gz HEJJKKAMYXUJPR-IJLUTSLNSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1C[C@H](N)CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000579607613 366906173 /nfs/dbraw/zinc/90/61/73/366906173.db2.gz HEJJKKAMYXUJPR-IJLUTSLNSA-N 2 3 211.353 0.798 20 0 BCADHP N[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000581954425 368021224 /nfs/dbraw/zinc/02/12/24/368021224.db2.gz WZSQQXICQHRIOT-RHYQMDGZSA-N 2 3 211.353 0.973 20 0 BCADHP OCCNC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000631862825 372665329 /nfs/dbraw/zinc/66/53/29/372665329.db2.gz OHHWUPLWZNIUOX-LBPRGKRZSA-N 2 3 241.379 0.032 20 0 BCADHP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCN1 ZINC000647546420 384730965 /nfs/dbraw/zinc/73/09/65/384730965.db2.gz JLEPFRWRSXTKPY-XQHKEYJVSA-N 2 3 223.364 0.716 20 0 BCADHP C[C@H]1C[NH2+]C[C@H](NCC2(C)CC[NH2+]CC2)C1 ZINC000647547019 384736412 /nfs/dbraw/zinc/73/64/12/384736412.db2.gz KXRBTOQLEMBYIU-VXGBXAGGSA-N 2 3 225.380 0.964 20 0 BCADHP C[C@@H]1C[NH2+]C[C@@H](NCC2(C)CC[NH2+]CC2)C1 ZINC000647547018 384737039 /nfs/dbraw/zinc/73/70/39/384737039.db2.gz KXRBTOQLEMBYIU-RYUDHWBXSA-N 2 3 225.380 0.964 20 0 BCADHP C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547116 384738146 /nfs/dbraw/zinc/73/81/46/384738146.db2.gz OHHIPMLNGUZNJW-RGDJUOJXSA-N 2 3 237.391 0.962 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000647548078 384751441 /nfs/dbraw/zinc/75/14/41/384751441.db2.gz USRXDWRQKSGOIO-NNYUYHANSA-N 2 3 211.353 0.701 20 0 BCADHP N[C@H]1CCC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000335448395 386517790 /nfs/dbraw/zinc/51/77/90/386517790.db2.gz PLADRHMXQQUAPB-RYUDHWBXSA-N 2 3 211.353 0.846 20 0 BCADHP CNC[C@H](C)C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414832881 386718865 /nfs/dbraw/zinc/71/88/65/386718865.db2.gz FDRMUTSSOFNFIQ-SRVKXCTJSA-N 2 3 213.369 0.820 20 0 BCADHP C[C@H]1C[C@@H](CN(C)C2CC([NH3+])C2)CC[NH2+]1 ZINC000334869594 386929067 /nfs/dbraw/zinc/92/90/67/386929067.db2.gz PMMKNUPFXMQKMH-JYBOHDQNSA-N 2 3 211.353 0.796 20 0 BCADHP [NH3+][C@H]1CCCCC[C@@H]1NCCN1CC[NH2+]CC1 ZINC000332398935 386975847 /nfs/dbraw/zinc/97/58/47/386975847.db2.gz ZIRTUEKBBQXYCQ-STQMWFEESA-N 2 3 240.395 0.141 20 0 BCADHP [NH3+][C@@H]1CCCCC[C@@H]1NCCN1CC[NH2+]CC1 ZINC000332398933 386976622 /nfs/dbraw/zinc/97/66/22/386976622.db2.gz ZIRTUEKBBQXYCQ-OLZOCXBDSA-N 2 3 240.395 0.141 20 0 BCADHP C[C@@H]1C[C@@H](C)N(CCOCC[NH3+])C[C@@H]1C[NH3+] ZINC000422636572 387611467 /nfs/dbraw/zinc/61/14/67/387611467.db2.gz NCZGCUWIHLBNOJ-UTUOFQBUSA-N 2 3 229.368 0.267 20 0 BCADHP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1N ZINC000516868143 388522657 /nfs/dbraw/zinc/52/26/57/388522657.db2.gz UGPGFXZIKBXYCU-IJLUTSLNSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1N ZINC000516868143 388522659 /nfs/dbraw/zinc/52/26/59/388522659.db2.gz UGPGFXZIKBXYCU-IJLUTSLNSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266324 409563641 /nfs/dbraw/zinc/56/36/41/409563641.db2.gz LZKVBSZIELGXRV-SRVKXCTJSA-N 2 3 239.363 0.177 20 0 BCADHP NC[C@@H]1CCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748104 410387011 /nfs/dbraw/zinc/38/70/11/410387011.db2.gz MZVXVJNVJCDSPJ-WDEREUQCSA-N 2 3 211.353 0.832 20 0 BCADHP CC1(CNC[C@@]23C[C@@H]2C[NH2+]C3)CC[NH2+]CC1 ZINC000663495788 411677486 /nfs/dbraw/zinc/67/74/86/411677486.db2.gz BBNUXXUSNKJTER-YPMHNXCESA-N 2 3 223.364 0.575 20 0 BCADHP C(CNC[C@@]12C[C@@H]1C[NH2+]C2)C[C@H]1CCC[NH2+]1 ZINC000663497436 411678717 /nfs/dbraw/zinc/67/87/17/411678717.db2.gz OLNTZNBXJQMMQX-FRRDWIJNSA-N 2 3 223.364 0.718 20 0 BCADHP C[C@H]1C[C@H](C[NH2+]CC23CC(C2)CN3)CC[NH2+]1 ZINC000663501575 411685209 /nfs/dbraw/zinc/68/52/09/411685209.db2.gz XSAQCDDAFYGPDW-ZFDZMSFRSA-N 2 3 223.364 0.716 20 0 BCADHP C[C@H]1C[C@H](CNCC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663501575 411685210 /nfs/dbraw/zinc/68/52/10/411685210.db2.gz XSAQCDDAFYGPDW-ZFDZMSFRSA-N 2 3 223.364 0.716 20 0 BCADHP CN(C[C@@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)C[NH3+] ZINC000662248114 412047750 /nfs/dbraw/zinc/04/77/50/412047750.db2.gz UBMPHNYTDVGOHM-NSHDSACASA-N 2 3 241.379 0.424 20 0 BCADHP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CCN1 ZINC000335448767 176374924 /nfs/dbraw/zinc/37/49/24/176374924.db2.gz RZMPJRNAERBYRV-PWSUYJOCSA-N 2 3 211.353 0.716 20 0 BCADHP C[NH2+]CC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000563958183 323332028 /nfs/dbraw/zinc/33/20/28/323332028.db2.gz SBWJZGKBRBYRGG-ZDUSSCGKSA-N 2 3 225.380 0.917 20 0 BCADHP C[NH2+]CC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000563958183 323332030 /nfs/dbraw/zinc/33/20/30/323332030.db2.gz SBWJZGKBRBYRGG-ZDUSSCGKSA-N 2 3 225.380 0.917 20 0 BCADHP CN(CC[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000566796805 326083990 /nfs/dbraw/zinc/08/39/90/326083990.db2.gz JFUGDBMYCQYBJT-NSHDSACASA-N 2 3 211.353 0.670 20 0 BCADHP C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490792 584618244 /nfs/dbraw/zinc/61/82/44/584618244.db2.gz VRBDQYCLHCTAOT-KKOKHZNYSA-N 2 3 211.353 0.701 20 0 BCADHP [NH3+]C[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000902485996 584625474 /nfs/dbraw/zinc/62/54/74/584625474.db2.gz DSKWPCYBTJRRGC-LPWJVIDDSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+]C[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000902485996 584625475 /nfs/dbraw/zinc/62/54/75/584625475.db2.gz DSKWPCYBTJRRGC-LPWJVIDDSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000902485996 584625476 /nfs/dbraw/zinc/62/54/76/584625476.db2.gz DSKWPCYBTJRRGC-LPWJVIDDSA-N 2 3 223.364 0.940 20 0 BCADHP NC[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903422033 584763558 /nfs/dbraw/zinc/76/35/58/584763558.db2.gz UFFAKPYZXHGIFC-UTUOFQBUSA-N 2 3 211.353 0.785 20 0 BCADHP NC[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903422033 584763560 /nfs/dbraw/zinc/76/35/60/584763560.db2.gz UFFAKPYZXHGIFC-UTUOFQBUSA-N 2 3 211.353 0.785 20 0 BCADHP [NH3+]C[C@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903422033 584763562 /nfs/dbraw/zinc/76/35/62/584763562.db2.gz UFFAKPYZXHGIFC-UTUOFQBUSA-N 2 3 211.353 0.785 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000903447326 584770825 /nfs/dbraw/zinc/77/08/25/584770825.db2.gz OKUHIPSJKSECEI-MBJXGIAVSA-N 2 3 237.391 0.901 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000903447325 584770851 /nfs/dbraw/zinc/77/08/51/584770851.db2.gz OKUHIPSJKSECEI-IKOXMDCHSA-N 2 3 237.391 0.901 20 0 BCADHP C[C@@]1(C[NH3+])CCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903451634 584771987 /nfs/dbraw/zinc/77/19/87/584771987.db2.gz CBBLSNWWNVXLKF-WOPDTQHZSA-N 2 3 211.353 0.785 20 0 BCADHP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@@H]1CCNC12CCC2 ZINC000903471291 584775378 /nfs/dbraw/zinc/77/53/78/584775378.db2.gz IECDIQYWNHQILO-NWDGAFQWSA-N 2 3 223.364 0.860 20 0 BCADHP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000903472952 584776307 /nfs/dbraw/zinc/77/63/07/584776307.db2.gz XRWLLRGULDMLCR-TUAOUCFPSA-N 2 3 223.364 0.988 20 0 BCADHP CC[NH2+]CCNCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918410 584822521 /nfs/dbraw/zinc/82/25/21/584822521.db2.gz YZIXLNKBQWCZAF-YOGCLGLASA-N 2 3 211.353 0.716 20 0 BCADHP C([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCN1 ZINC000903918409 584822847 /nfs/dbraw/zinc/82/28/47/584822847.db2.gz YVLNIQCQHSFREH-WVMKXHBISA-N 2 3 223.364 0.859 20 0 BCADHP C[C@@H](CCN)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920974 584823161 /nfs/dbraw/zinc/82/31/61/584823161.db2.gz YYFRKAAHPQXPAO-YEJSDXFRSA-N 2 3 211.353 0.844 20 0 BCADHP C[C@@H]1NCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903934683 584825511 /nfs/dbraw/zinc/82/55/11/584825511.db2.gz IPWQLPZAHXGCAE-OFIBSPLFSA-N 2 3 223.364 0.857 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC1(CN)CC1 ZINC000903978626 584833081 /nfs/dbraw/zinc/83/30/81/584833081.db2.gz IQOCFCMJTNVQRP-GHMZBOCLSA-N 2 3 211.353 0.561 20 0 BCADHP CN(C[C@H]1C[C@@H]([NH3+])C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904299746 584860432 /nfs/dbraw/zinc/86/04/32/584860432.db2.gz NHDWBIGPVBOBIE-HTYKTIJTSA-N 2 3 223.364 0.939 20 0 BCADHP C[C@@H](C[NH3+])CNCc1ccc(C[NH3+])cc1 ZINC000904354038 584870169 /nfs/dbraw/zinc/87/01/69/584870169.db2.gz URKZWXAWYMIFEH-JTQLQIEISA-N 2 3 207.321 0.830 20 0 BCADHP C[C@@H](CC[NH3+])NCc1ccc(C[NH3+])cc1 ZINC000904355383 584870743 /nfs/dbraw/zinc/87/07/43/584870743.db2.gz MYFNGRKCINNVAI-JTQLQIEISA-N 2 3 207.321 0.972 20 0 BCADHP N[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)C1 ZINC000904356080 584871335 /nfs/dbraw/zinc/87/13/35/584871335.db2.gz SVGJLOOMPHHRKV-DGCLKSJQSA-N 2 3 240.395 0.269 20 0 BCADHP [NH3+]CCN1CCC([NH2+]CCCNC2CC2)CC1 ZINC000904358536 584872353 /nfs/dbraw/zinc/87/23/53/584872353.db2.gz OUUQNDHDGPBNBP-UHFFFAOYSA-N 2 3 240.395 0.141 20 0 BCADHP C[C@]1(CNCCOCCC[NH3+])CCC[NH2+]C1 ZINC000904381883 584877177 /nfs/dbraw/zinc/87/71/77/584877177.db2.gz WXVAWKDJPIPWSN-LBPRGKRZSA-N 2 3 229.368 0.331 20 0 BCADHP C[C@]1(C[NH2+]CCOCCC[NH3+])CCCNC1 ZINC000904381883 584877178 /nfs/dbraw/zinc/87/71/78/584877178.db2.gz WXVAWKDJPIPWSN-LBPRGKRZSA-N 2 3 229.368 0.331 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[NH2+][C@]23CCC[C@@H]2NCC3)C1 ZINC000904384694 584877559 /nfs/dbraw/zinc/87/75/59/584877559.db2.gz MEBUZRGPAKAOEN-USZNOCQGSA-N 2 3 209.337 0.598 20 0 BCADHP C[C@]1(CN2CC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000904405956 584878687 /nfs/dbraw/zinc/87/86/87/584878687.db2.gz BIGIBZPWFUIRNF-RYUDHWBXSA-N 2 3 211.353 0.657 20 0 BCADHP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000904410962 584879259 /nfs/dbraw/zinc/87/92/59/584879259.db2.gz RWSVXDQUECZGPO-UPJWGTAASA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000904410958 584879321 /nfs/dbraw/zinc/87/93/21/584879321.db2.gz RWSVXDQUECZGPO-FRRDWIJNSA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@@H]1C[NH3+] ZINC000904411712 584879758 /nfs/dbraw/zinc/87/97/58/584879758.db2.gz WVTPQNCETFJIEJ-LPWJVIDDSA-N 2 3 223.364 0.513 20 0 BCADHP CC1(C)CCNCC[N@@H+]1CCOCC[NH3+] ZINC000866698879 589513048 /nfs/dbraw/zinc/51/30/48/589513048.db2.gz CGHLAEHXCLNGTJ-UHFFFAOYSA-N 2 3 215.341 0.036 20 0 BCADHP CC1(C)CCNCC[N@H+]1CCOCC[NH3+] ZINC000866698879 589513050 /nfs/dbraw/zinc/51/30/50/589513050.db2.gz CGHLAEHXCLNGTJ-UHFFFAOYSA-N 2 3 215.341 0.036 20 0 BCADHP C[C@]12C[NH2+]C[C@H]1CN(CC[C@@H]1CC[NH2+]C1)C2 ZINC000872153640 589885293 /nfs/dbraw/zinc/88/52/93/589885293.db2.gz FNRNIUVCAJDIJV-RWMBFGLXSA-N 2 3 223.364 0.527 20 0 BCADHP C[C@@H]([NH2+]C1CCNCC1)C1CC[NH2+]CC1 ZINC000873220921 590000003 /nfs/dbraw/zinc/00/00/03/590000003.db2.gz WVDSPWMJYICXOZ-SNVBAGLBSA-N 2 3 211.353 0.716 20 0 BCADHP C[C@H]1C[C@@H](CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]1 ZINC000873228996 590000430 /nfs/dbraw/zinc/00/04/30/590000430.db2.gz NAIURGVKBYRUCZ-XDQVBPFNSA-N 2 3 237.391 0.916 20 0 BCADHP C([NH2+][C@]12CCC[C@@H]1NCC2)C1CC[NH2+]CC1 ZINC000873229789 590001948 /nfs/dbraw/zinc/00/19/48/590001948.db2.gz FZLILNFPHUWCEF-STQMWFEESA-N 2 3 223.364 0.860 20 0 BCADHP C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000873248689 590007605 /nfs/dbraw/zinc/00/76/05/590007605.db2.gz DOJLAMDPNRNJCK-YFKTTZPYSA-N 2 3 211.353 0.844 20 0 BCADHP C[C@H](NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000873255039 590010042 /nfs/dbraw/zinc/01/00/42/590010042.db2.gz DOJLAMDPNRNJCK-BJDJZHNGSA-N 2 3 211.353 0.844 20 0 BCADHP [NH3+][C@@H]1C[C@H](N[C@@H]2CC23CC[NH2+]CC3)C12CCC2 ZINC000925709726 634406977 /nfs/dbraw/zinc/40/69/77/634406977.db2.gz QCZXZNQTYCGKIS-GRYCIOLGSA-N 2 3 235.375 0.988 20 0 BCADHP [NH3+]C1CC(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925729522 634543322 /nfs/dbraw/zinc/54/33/22/634543322.db2.gz KCXLXWKAKQRDRB-PZXCLMDMSA-N 2 3 221.348 0.310 20 0 BCADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC[C@@H]1CCC[NH2+]1 ZINC000925690500 634314297 /nfs/dbraw/zinc/31/42/97/634314297.db2.gz GODWPFKIVPKZPZ-SZQBSXBZSA-N 2 3 223.364 0.844 20 0 BCADHP N[C@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000906516995 638186727 /nfs/dbraw/zinc/18/67/27/638186727.db2.gz BNQCEZDKSIGFES-YCNMSENWSA-N 2 3 209.337 0.596 20 0 BCADHP C[C@@](C[NH3+])(NC[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923295968 644331595 /nfs/dbraw/zinc/33/15/95/644331595.db2.gz LQSJXTVJQNJFRQ-RYUDHWBXSA-N 2 3 239.363 0.082 20 0 BCADHP C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923330356 644349714 /nfs/dbraw/zinc/34/97/14/644349714.db2.gz CSKWZPSFUATFIK-SRVKXCTJSA-N 2 3 239.363 0.034 20 0 BCADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCNC1 ZINC000925694404 646419158 /nfs/dbraw/zinc/41/91/58/646419158.db2.gz UDZHUHRPAQARAD-UXGOBAPMSA-N 2 3 209.337 0.454 20 0 BCADHP C[NH+](C)[C@H]1C[C@@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925702638 646427625 /nfs/dbraw/zinc/42/76/25/646427625.db2.gz QAQFVQDOJFLUIF-CLYJXRMCSA-N 2 3 249.402 0.913 20 0 BCADHP C[C@H](CCC[NH3+])N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925711849 646435837 /nfs/dbraw/zinc/43/58/37/646435837.db2.gz SRTSVHGUKZYKCI-JIMTYQMOSA-N 2 3 223.364 0.700 20 0 BCADHP C[C@H](CCC[NH3+])N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925711850 646436046 /nfs/dbraw/zinc/43/60/46/646436046.db2.gz SRTSVHGUKZYKCI-KQAFNVIJSA-N 2 3 223.364 0.700 20 0 BCADHP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925726966 646452007 /nfs/dbraw/zinc/45/20/07/646452007.db2.gz MERRBGXJKKGQAB-GMTAPVOTSA-N 2 3 209.337 0.598 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925726964 646452074 /nfs/dbraw/zinc/45/20/74/646452074.db2.gz MERRBGXJKKGQAB-AXFHLTTASA-N 2 3 209.337 0.598 20 0 BCADHP [NH3+]C[C@H]1CCC[C@H]1NCCN1CCC([NH3+])CC1 ZINC000925817741 646493462 /nfs/dbraw/zinc/49/34/62/646493462.db2.gz WHJHLHYALAEEAO-DGCLKSJQSA-N 2 3 240.395 0.127 20 0 BCADHP NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879379 711762142 /nfs/dbraw/zinc/76/21/42/711762142.db2.gz CQYKPBAWAJDZKC-NOOOWODRSA-N 2 3 211.353 0.831 20 0 BCADHP [NH3+]CC[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000381277995 398249787 /nfs/dbraw/zinc/24/97/87/398249787.db2.gz XKARINXHBGLUFQ-NWDGAFQWSA-N 2 3 211.353 0.657 20 0 BCADHP NCC1(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000335624287 136299344 /nfs/dbraw/zinc/29/93/44/136299344.db2.gz BOQVYJFGVBISRK-UHFFFAOYSA-N 2 3 223.364 0.801 20 0 BCADHP NCC1(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000335624287 136299345 /nfs/dbraw/zinc/29/93/45/136299345.db2.gz BOQVYJFGVBISRK-UHFFFAOYSA-N 2 3 223.364 0.801 20 0 BCADHP [NH3+][C@]12CCC[C@H]1CN(CC[C@H]1CC[NH2+]C1)C2 ZINC000621784310 343909110 /nfs/dbraw/zinc/90/91/10/343909110.db2.gz MXHMIKYVOSEVRB-AGIUHOORSA-N 2 3 223.364 0.799 20 0 BCADHP C[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000634733748 344114103 /nfs/dbraw/zinc/11/41/03/344114103.db2.gz MUNPLJPMZNVAEF-FQUUOJAGSA-N 2 3 237.391 0.964 20 0 BCADHP C(C[C@@H]1CC[NH2+]C1)[NH2+]CC12CC(C1)CN2 ZINC000634994541 345181802 /nfs/dbraw/zinc/18/18/02/345181802.db2.gz GXDOJMGWASJJGM-UNXYVOJBSA-N 2 3 209.337 0.328 20 0 BCADHP CC(C)[C@H](CN)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000634994663 345182798 /nfs/dbraw/zinc/18/27/98/345182798.db2.gz JXHQMVYRPGWQBA-CYBMUJFWSA-N 2 3 242.411 0.102 20 0 BCADHP CC(C)[C@@H](CN)C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000634995058 345183228 /nfs/dbraw/zinc/18/32/28/345183228.db2.gz TXPVZFDZEUKJGB-NEPJUHHUSA-N 2 3 213.369 0.807 20 0 BCADHP CC(C)[C@H](CN)C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000634995061 345183485 /nfs/dbraw/zinc/18/34/85/345183485.db2.gz TXPVZFDZEUKJGB-VXGBXAGGSA-N 2 3 213.369 0.807 20 0 BCADHP CC(C)[C@@H](CN)C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000634995476 345185160 /nfs/dbraw/zinc/18/51/60/345185160.db2.gz GGZGGJMGDPQNNK-NWDGAFQWSA-N 2 3 225.380 0.949 20 0 BCADHP C(C[NH2+]CC12CC(C1)CN2)C[C@H]1CCC[NH2+]1 ZINC000634995606 345185456 /nfs/dbraw/zinc/18/54/56/345185456.db2.gz KFLLLYVMYBKUES-CPCZMJQVSA-N 2 3 223.364 0.860 20 0 BCADHP [NH3+][C@@H]1CCC[C@@H](NCC2=CC[NH2+]CC2)C1 ZINC000580212466 346686083 /nfs/dbraw/zinc/68/60/83/346686083.db2.gz MNWCSQGITQEYJX-VXGBXAGGSA-N 2 3 209.337 0.766 20 0 BCADHP C(CN[C@@H]1CCC[NH2+]C1)C[C@H]1CCC[NH2+]1 ZINC000414957911 352378658 /nfs/dbraw/zinc/37/86/58/352378658.db2.gz CDCHIDAVXSRUFW-VXGBXAGGSA-N 2 3 211.353 0.860 20 0 BCADHP C(CN[C@@H]1CCC[NH2+]C1)C[C@@H]1CCC[NH2+]1 ZINC000414957908 352378757 /nfs/dbraw/zinc/37/87/57/352378757.db2.gz CDCHIDAVXSRUFW-NWDGAFQWSA-N 2 3 211.353 0.860 20 0 BCADHP C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1CN ZINC000420415819 192241480 /nfs/dbraw/zinc/24/14/80/192241480.db2.gz VIKCKHBHBULERH-AGIUHOORSA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1CN ZINC000420415819 192241482 /nfs/dbraw/zinc/24/14/82/192241482.db2.gz VIKCKHBHBULERH-AGIUHOORSA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000420415819 192241485 /nfs/dbraw/zinc/24/14/85/192241485.db2.gz VIKCKHBHBULERH-AGIUHOORSA-N 2 3 225.380 0.903 20 0 BCADHP C[C@H](N)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000622044474 370677438 /nfs/dbraw/zinc/67/74/38/370677438.db2.gz HMXXYZBBUNHFIW-IRCOFANPSA-N 2 3 211.353 0.701 20 0 BCADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629539225 361405094 /nfs/dbraw/zinc/40/50/94/361405094.db2.gz PADIDZZLWMSGFV-RYUDHWBXSA-N 2 3 229.368 0.459 20 0 BCADHP [NH3+]CCCOCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000629539225 361405099 /nfs/dbraw/zinc/40/50/99/361405099.db2.gz PADIDZZLWMSGFV-RYUDHWBXSA-N 2 3 229.368 0.459 20 0 BCADHP C[C@@H]1CC[C@@H](NC2CCC([NH3+])CC2)C[NH2+]1 ZINC000398951098 364278671 /nfs/dbraw/zinc/27/86/71/364278671.db2.gz CALNDIXVCQKWJW-HBIQZDMRSA-N 2 3 211.353 0.986 20 0 BCADHP C[C@@H]1CC[C@H](NC2CCC([NH3+])CC2)C[NH2+]1 ZINC000398951115 364279419 /nfs/dbraw/zinc/27/94/19/364279419.db2.gz CALNDIXVCQKWJW-YYJSSNLHSA-N 2 3 211.353 0.986 20 0 BCADHP C[NH2+]C[C@](C)(O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000573379507 364817240 /nfs/dbraw/zinc/81/72/40/364817240.db2.gz KGSIPURPXXJCDZ-PWSUYJOCSA-N 2 3 229.368 0.016 20 0 BCADHP CNC[C@](C)(O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000573379507 364817241 /nfs/dbraw/zinc/81/72/41/364817241.db2.gz KGSIPURPXXJCDZ-PWSUYJOCSA-N 2 3 229.368 0.016 20 0 BCADHP N[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000574219093 365013736 /nfs/dbraw/zinc/01/37/36/365013736.db2.gz NFCODETUVVFJGK-QJPTWQEYSA-N 2 3 211.353 0.846 20 0 BCADHP CNC[C@](C)(O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000579602892 366901110 /nfs/dbraw/zinc/90/11/10/366901110.db2.gz XHGMVVNSVTXQRM-NEPJUHHUSA-N 2 3 229.368 0.018 20 0 BCADHP CNC[C@](C)(O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000579602892 366901117 /nfs/dbraw/zinc/90/11/17/366901117.db2.gz XHGMVVNSVTXQRM-NEPJUHHUSA-N 2 3 229.368 0.018 20 0 BCADHP C[NH2+]C[C@](C)(O)CN1CCC[C@H](CC[NH3+])C1 ZINC000579602892 366901119 /nfs/dbraw/zinc/90/11/19/366901119.db2.gz XHGMVVNSVTXQRM-NEPJUHHUSA-N 2 3 229.368 0.018 20 0 BCADHP CN(CC[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000566796797 326083672 /nfs/dbraw/zinc/08/36/72/326083672.db2.gz JFUGDBMYCQYBJT-LLVKDONJSA-N 2 3 211.353 0.670 20 0 BCADHP C([NH2+][C@]12CCC[C@@H]1CNC2)C1CC[NH2+]CC1 ZINC000631868062 372671112 /nfs/dbraw/zinc/67/11/12/372671112.db2.gz VGIKBUIJGLSDKN-OLZOCXBDSA-N 2 3 223.364 0.718 20 0 BCADHP C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CN1 ZINC000647546791 384733110 /nfs/dbraw/zinc/73/31/10/384733110.db2.gz BMVSODYCIXCVSY-KXNHARMFSA-N 2 3 209.337 0.326 20 0 BCADHP C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CN1 ZINC000647546790 384733301 /nfs/dbraw/zinc/73/33/01/384733301.db2.gz BMVSODYCIXCVSY-KKOKHZNYSA-N 2 3 209.337 0.326 20 0 BCADHP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCNC1 ZINC000647546712 384733465 /nfs/dbraw/zinc/73/34/65/384733465.db2.gz XHASCUMQPLOKDT-YIYPIFLZSA-N 2 3 237.391 0.964 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H](NCC2(C)CC[NH2+]CC2)C1 ZINC000647547017 384737719 /nfs/dbraw/zinc/73/77/19/384737719.db2.gz KXRBTOQLEMBYIU-NWDGAFQWSA-N 2 3 225.380 0.964 20 0 BCADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](CN)C2)CC[NH2+]1 ZINC000647490237 385280665 /nfs/dbraw/zinc/28/06/65/385280665.db2.gz HHAPCEPBYBLBHZ-UTUOFQBUSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](CN)C2)CC[NH2+]1 ZINC000647490237 385280671 /nfs/dbraw/zinc/28/06/71/385280671.db2.gz HHAPCEPBYBLBHZ-UTUOFQBUSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](CN)C2)CC[NH2+]1 ZINC000647490236 385282891 /nfs/dbraw/zinc/28/28/91/385282891.db2.gz HHAPCEPBYBLBHZ-IJLUTSLNSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](CN)C2)CC[NH2+]1 ZINC000647490236 385282894 /nfs/dbraw/zinc/28/28/94/385282894.db2.gz HHAPCEPBYBLBHZ-IJLUTSLNSA-N 2 3 211.353 0.655 20 0 BCADHP CCNCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799980 385802975 /nfs/dbraw/zinc/80/29/75/385802975.db2.gz VWWORJNWFXPBMW-FRRDWIJNSA-N 2 3 225.380 0.964 20 0 BCADHP NC[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647829670 385878501 /nfs/dbraw/zinc/87/85/01/385878501.db2.gz KNGQIDRSXUURNM-NWDGAFQWSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647829670 385878504 /nfs/dbraw/zinc/87/85/04/385878504.db2.gz KNGQIDRSXUURNM-NWDGAFQWSA-N 2 3 211.353 0.657 20 0 BCADHP [NH3+]CC1(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000414662523 386098444 /nfs/dbraw/zinc/09/84/44/386098444.db2.gz AGBICAHENZGLII-SDDRHHMPSA-N 2 3 223.364 0.785 20 0 BCADHP C([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCCNC1 ZINC000415013678 386495755 /nfs/dbraw/zinc/49/57/55/386495755.db2.gz VFWYTJLSGNVUPD-FPMFFAJLSA-N 2 3 237.391 0.964 20 0 BCADHP C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000415013678 386495760 /nfs/dbraw/zinc/49/57/60/386495760.db2.gz VFWYTJLSGNVUPD-FPMFFAJLSA-N 2 3 237.391 0.964 20 0 BCADHP C(C[C@H]1CC[NH2+]C1)[NH2+]C[C@@H]1CCCNC1 ZINC000414828694 386700387 /nfs/dbraw/zinc/70/03/87/386700387.db2.gz JHQCFXQSRFOIIU-VXGBXAGGSA-N 2 3 211.353 0.575 20 0 BCADHP CC1(CN[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000334867081 386923255 /nfs/dbraw/zinc/92/32/55/386923255.db2.gz ZPLQNSZDLVCPIE-NSHDSACASA-N 2 3 211.353 0.718 20 0 BCADHP CNC[C@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423281595 388063795 /nfs/dbraw/zinc/06/37/95/388063795.db2.gz VUQBHAWDTGSWSD-WDEREUQCSA-N 2 3 201.358 0.949 20 0 BCADHP C[C@@H](N)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240790 388638149 /nfs/dbraw/zinc/63/81/49/388638149.db2.gz NVNYPRPDQIVRCI-DGCLKSJQSA-N 2 3 241.379 0.424 20 0 BCADHP [NH3+]C1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000335383589 136088043 /nfs/dbraw/zinc/08/80/43/136088043.db2.gz BBGSMLLTTITGDZ-LLVKDONJSA-N 2 3 211.353 0.799 20 0 BCADHP C[C@@H]1C[C@@H](C[NH3+])CN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662263397 409557812 /nfs/dbraw/zinc/55/78/12/409557812.db2.gz ARNAOUXCCJMYKQ-GRYCIOLGSA-N 2 3 239.363 0.177 20 0 BCADHP C[C@H]([NH3+])[C@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266322 409563737 /nfs/dbraw/zinc/56/37/37/409563737.db2.gz LZKVBSZIELGXRV-SDDRHHMPSA-N 2 3 239.363 0.177 20 0 BCADHP C[C@@H]1C[NH2+]C[C@@H](NCCC2(C[NH3+])CC2)C1 ZINC000650714246 410346979 /nfs/dbraw/zinc/34/69/79/410346979.db2.gz WZCIIPOMJCKCDX-QWRGUYRKSA-N 2 3 211.353 0.703 20 0 BCADHP [NH3+]CC1(CCNC[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663496508 411669131 /nfs/dbraw/zinc/66/91/31/411669131.db2.gz HGOFBZJHFQMQSW-JQWIXIFHSA-N 2 3 209.337 0.315 20 0 BCADHP NCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652364131 487933005 /nfs/dbraw/zinc/93/30/05/487933005.db2.gz ZBIBWFNUHDGDTP-QJPTWQEYSA-N 2 3 227.352 0.306 20 0 BCADHP NCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652364131 487933010 /nfs/dbraw/zinc/93/30/10/487933010.db2.gz ZBIBWFNUHDGDTP-QJPTWQEYSA-N 2 3 227.352 0.306 20 0 BCADHP [NH3+]C1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000236203367 490192904 /nfs/dbraw/zinc/19/29/04/490192904.db2.gz WAEQMJVOAXDCFZ-HTAVTVPLSA-N 2 3 211.353 0.988 20 0 BCADHP CC1(C)C[NH2+]CC[C@@H](NCCOCCC[NH3+])C1 ZINC000902395477 584584443 /nfs/dbraw/zinc/58/44/43/584584443.db2.gz FUFADGVYOAPZAZ-GFCCVEGCSA-N 2 3 243.395 0.720 20 0 BCADHP NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487104 584625793 /nfs/dbraw/zinc/62/57/93/584625793.db2.gz IMIDJEYKZILYMQ-KKOKHZNYSA-N 2 3 211.353 0.831 20 0 BCADHP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](C[NH3+])C1)[NH2+]2 ZINC000902487539 584625859 /nfs/dbraw/zinc/62/58/59/584625859.db2.gz JRMBEVVDXBYPRZ-RJRAAQABSA-N 2 3 223.364 0.842 20 0 BCADHP C[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000903424895 584765291 /nfs/dbraw/zinc/76/52/91/584765291.db2.gz KSXPDBGFSXBKMN-USZNOCQGSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1N ZINC000903424895 584765292 /nfs/dbraw/zinc/76/52/92/584765292.db2.gz KSXPDBGFSXBKMN-USZNOCQGSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1N ZINC000903424895 584765293 /nfs/dbraw/zinc/76/52/93/584765293.db2.gz KSXPDBGFSXBKMN-USZNOCQGSA-N 2 3 211.353 0.783 20 0 BCADHP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@H]1CCNC12CCC2 ZINC000903471292 584775530 /nfs/dbraw/zinc/77/55/30/584775530.db2.gz IECDIQYWNHQILO-RYUDHWBXSA-N 2 3 223.364 0.860 20 0 BCADHP [NH3+][C@@H]1CC[C@H](CN2CCC([NH2+]CCO)CC2)C1 ZINC000903477354 584778150 /nfs/dbraw/zinc/77/81/50/584778150.db2.gz ZKZUAIGKMHZDEK-NWDGAFQWSA-N 2 3 241.379 0.160 20 0 BCADHP CC1(C)CNC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000903821278 584803794 /nfs/dbraw/zinc/80/37/94/584803794.db2.gz JABILLOLQAWFOI-NSHDSACASA-N 2 3 211.353 0.574 20 0 BCADHP N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903839453 584807116 /nfs/dbraw/zinc/80/71/16/584807116.db2.gz LCZYFXGNAJOBBQ-WJTVCTBASA-N 2 3 223.364 0.925 20 0 BCADHP N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903839453 584807118 /nfs/dbraw/zinc/80/71/18/584807118.db2.gz LCZYFXGNAJOBBQ-WJTVCTBASA-N 2 3 223.364 0.925 20 0 BCADHP C[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC000903915349 584822761 /nfs/dbraw/zinc/82/27/61/584822761.db2.gz BEQRSSVKGIYRLL-JVGWCMFKSA-N 2 3 223.364 0.796 20 0 BCADHP [NH3+]Cc1ccc(CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000904299805 584860938 /nfs/dbraw/zinc/86/09/38/584860938.db2.gz OSMUJEZOCOFWHM-ZDUSSCGKSA-N 2 3 219.332 0.926 20 0 BCADHP CCN(C)C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326661 584865507 /nfs/dbraw/zinc/86/55/07/584865507.db2.gz PQKIPJZXFHFDSB-UPJWGTAASA-N 2 3 225.380 0.997 20 0 BCADHP CCN(C)C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326661 584865508 /nfs/dbraw/zinc/86/55/08/584865508.db2.gz PQKIPJZXFHFDSB-UPJWGTAASA-N 2 3 225.380 0.997 20 0 BCADHP CC[N@H+](C)C[C@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326661 584865509 /nfs/dbraw/zinc/86/55/09/584865509.db2.gz PQKIPJZXFHFDSB-UPJWGTAASA-N 2 3 225.380 0.997 20 0 BCADHP CC[N@@H+](C)C[C@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326661 584865510 /nfs/dbraw/zinc/86/55/10/584865510.db2.gz PQKIPJZXFHFDSB-UPJWGTAASA-N 2 3 225.380 0.997 20 0 BCADHP CCC(N)(CC)C[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904350062 584869146 /nfs/dbraw/zinc/86/91/46/584869146.db2.gz GRQNYUJGPGDBDC-UHFFFAOYSA-N 2 3 242.411 0.517 20 0 BCADHP NCC[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350099 584869161 /nfs/dbraw/zinc/86/91/61/584869161.db2.gz HXSXBJBWRYIDKB-TUAOUCFPSA-N 2 3 211.353 0.927 20 0 BCADHP NCC[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350099 584869162 /nfs/dbraw/zinc/86/91/62/584869162.db2.gz HXSXBJBWRYIDKB-TUAOUCFPSA-N 2 3 211.353 0.927 20 0 BCADHP [NH3+]CC[C@@H]1CCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350099 584869163 /nfs/dbraw/zinc/86/91/63/584869163.db2.gz HXSXBJBWRYIDKB-TUAOUCFPSA-N 2 3 211.353 0.927 20 0 BCADHP C[C@]1(C[NH2+]CC[C@H]2CC[NH2+]C2)CCCNC1 ZINC000904353855 584870363 /nfs/dbraw/zinc/87/03/63/584870363.db2.gz SVNPWKRQDWNQJC-OLZOCXBDSA-N 2 3 225.380 0.965 20 0 BCADHP C[C@]1(C[NH2+]C2CC(C[NH3+])C2)CCCNC1 ZINC000904355002 584870703 /nfs/dbraw/zinc/87/07/03/584870703.db2.gz JMCRESOHUTZIFE-MCIGGMRASA-N 2 3 211.353 0.703 20 0 BCADHP C[C@H]1CN(CC2(C[NH3+])CC2)CC[C@@H]1C[NH3+] ZINC000904410586 584879242 /nfs/dbraw/zinc/87/92/42/584879242.db2.gz PAXIPLQQJDAOOW-WDEREUQCSA-N 2 3 211.353 0.642 20 0 BCADHP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1CN ZINC000904419412 584882083 /nfs/dbraw/zinc/88/20/83/584882083.db2.gz VDRZOBBTUJSSRH-FVCCEPFGSA-N 2 3 225.380 0.901 20 0 BCADHP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1CN ZINC000904419412 584882085 /nfs/dbraw/zinc/88/20/85/584882085.db2.gz VDRZOBBTUJSSRH-FVCCEPFGSA-N 2 3 225.380 0.901 20 0 BCADHP CNC[C@](C)(O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846220477 588261415 /nfs/dbraw/zinc/26/14/15/588261415.db2.gz QIMNGOLBYIBTAG-LBPRGKRZSA-N 2 3 241.379 0.032 20 0 BCADHP CNC[C@](C)(O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846220477 588261416 /nfs/dbraw/zinc/26/14/16/588261416.db2.gz QIMNGOLBYIBTAG-LBPRGKRZSA-N 2 3 241.379 0.032 20 0 BCADHP C[NH2+]C[C@](C)(O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000846220477 588261417 /nfs/dbraw/zinc/26/14/17/588261417.db2.gz QIMNGOLBYIBTAG-LBPRGKRZSA-N 2 3 241.379 0.032 20 0 BCADHP CC[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000873251603 590009186 /nfs/dbraw/zinc/00/91/86/590009186.db2.gz XBTBGHSHSSDCID-KXNHARMFSA-N 2 3 211.353 0.844 20 0 BCADHP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCN1 ZINC000873251603 590009187 /nfs/dbraw/zinc/00/91/87/590009187.db2.gz XBTBGHSHSSDCID-KXNHARMFSA-N 2 3 211.353 0.844 20 0 BCADHP C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000873255040 590010007 /nfs/dbraw/zinc/01/00/07/590010007.db2.gz DOJLAMDPNRNJCK-DDHJBXDOSA-N 2 3 211.353 0.844 20 0 BCADHP NC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873254675 590010397 /nfs/dbraw/zinc/01/03/97/590010397.db2.gz ACJQWYPENUOAIO-DDHJBXDOSA-N 2 3 211.353 0.831 20 0 BCADHP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000873255969 590011030 /nfs/dbraw/zinc/01/10/30/590011030.db2.gz KGLJNMWLYHXWJE-CYDGBPFRSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000873255969 590011032 /nfs/dbraw/zinc/01/10/32/590011032.db2.gz KGLJNMWLYHXWJE-CYDGBPFRSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000873255969 590011033 /nfs/dbraw/zinc/01/10/33/590011033.db2.gz KGLJNMWLYHXWJE-CYDGBPFRSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+]CC1(CC[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925703044 634379657 /nfs/dbraw/zinc/37/96/57/634379657.db2.gz SHMXBSAGPTXCHM-NSHDSACASA-N 2 3 223.364 0.990 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925726707 634522349 /nfs/dbraw/zinc/52/23/49/634522349.db2.gz KCXLXWKAKQRDRB-QCECGRHHSA-N 2 3 221.348 0.310 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCCCN3)C1 ZINC000904429473 637397488 /nfs/dbraw/zinc/39/74/88/637397488.db2.gz ITBLWIOGOHPZJV-FRRDWIJNSA-N 2 3 223.364 0.942 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCCCN3)C1 ZINC000904429473 637397493 /nfs/dbraw/zinc/39/74/93/637397493.db2.gz ITBLWIOGOHPZJV-FRRDWIJNSA-N 2 3 223.364 0.942 20 0 BCADHP C[C@@H]1NCC[C@H]1[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925719451 646444117 /nfs/dbraw/zinc/44/41/17/646444117.db2.gz RXWQCCABKFGXKL-LSUSWQKBSA-N 2 3 239.363 0.079 20 0 BCADHP C[C@H]([NH3+])C[C@H](C)NCCN1CCC([NH3+])CC1 ZINC000925817455 646493574 /nfs/dbraw/zinc/49/35/74/646493574.db2.gz SMXHRCWOVRCGIY-QWRGUYRKSA-N 2 3 228.384 0.125 20 0 BCADHP CC[NH2+]CCN[C@H](C)C1CC[NH+](C)CC1 ZINC000643505392 398213916 /nfs/dbraw/zinc/21/39/16/398213916.db2.gz WSKYACBCFCQRCH-LLVKDONJSA-N 2 3 213.369 0.916 20 0 BCADHP [NH3+]CC[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000381277997 398249660 /nfs/dbraw/zinc/24/96/60/398249660.db2.gz XKARINXHBGLUFQ-RYUDHWBXSA-N 2 3 211.353 0.657 20 0 BCADHP C[C@@H]([NH3+])C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000381708827 398270534 /nfs/dbraw/zinc/27/05/34/398270534.db2.gz JXVFPKCMAOZGIJ-GHMZBOCLSA-N 2 3 211.353 0.655 20 0 BCADHP C[NH2+]CC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000381835932 398274961 /nfs/dbraw/zinc/27/49/61/398274961.db2.gz OTBJZFSOMRLMGI-GFCCVEGCSA-N 2 3 211.353 0.527 20 0 BCADHP [NH3+][C@]12CCC[C@H]1CN(CC[C@@H]1CC[NH2+]C1)C2 ZINC000621784311 343908855 /nfs/dbraw/zinc/90/88/55/343908855.db2.gz MXHMIKYVOSEVRB-AVGNSLFASA-N 2 3 223.364 0.799 20 0 BCADHP C(C[C@H]1CC[NH2+]C1)[NH2+]CC12CC(C1)CN2 ZINC000634994542 345181641 /nfs/dbraw/zinc/18/16/41/345181641.db2.gz GXDOJMGWASJJGM-VOMCLLRMSA-N 2 3 209.337 0.328 20 0 BCADHP CC(C)[C@@H](CN)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000634994664 345182678 /nfs/dbraw/zinc/18/26/78/345182678.db2.gz JXHQMVYRPGWQBA-ZDUSSCGKSA-N 2 3 242.411 0.102 20 0 BCADHP CC(C)[C@@H](CN)C[NH2+][C@@H](C)CCC[NH3+] ZINC000634995384 345184487 /nfs/dbraw/zinc/18/44/87/345184487.db2.gz CFUDIZNZAHUSBL-QWRGUYRKSA-N 2 3 201.358 0.934 20 0 BCADHP C(C[NH2+]CC12CC(C1)CN2)C[C@@H]1CCC[NH2+]1 ZINC000634995607 345185400 /nfs/dbraw/zinc/18/54/00/345185400.db2.gz KFLLLYVMYBKUES-OTTFEQOBSA-N 2 3 223.364 0.860 20 0 BCADHP [NH3+]C[C@@H]1CC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000634995976 345185708 /nfs/dbraw/zinc/18/57/08/345185708.db2.gz VJYWNDZBVHZBMN-QTAHKJALSA-N 2 3 209.337 0.455 20 0 BCADHP [NH3+]C[C@@H]1CC[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000634995976 345185710 /nfs/dbraw/zinc/18/57/10/345185710.db2.gz VJYWNDZBVHZBMN-QTAHKJALSA-N 2 3 209.337 0.455 20 0 BCADHP [NH3+]C[C@H]1CC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000634995978 345185892 /nfs/dbraw/zinc/18/58/92/345185892.db2.gz VJYWNDZBVHZBMN-VOBJUBJWSA-N 2 3 209.337 0.455 20 0 BCADHP [NH3+]C[C@H]1CC[C@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000634995978 345185896 /nfs/dbraw/zinc/18/58/96/345185896.db2.gz VJYWNDZBVHZBMN-VOBJUBJWSA-N 2 3 209.337 0.455 20 0 BCADHP CC1(C[NH2+]CC2(CN)CC2)CC[NH2+]CC1 ZINC000634995915 345186149 /nfs/dbraw/zinc/18/61/49/345186149.db2.gz SVCMFEMQGJWFCE-UHFFFAOYSA-N 2 3 211.353 0.705 20 0 BCADHP C[C@H]1C[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000580075099 346511011 /nfs/dbraw/zinc/51/10/11/346511011.db2.gz ULXXYTLNLAVZOH-QNWHQSFQSA-N 2 3 223.364 0.526 20 0 BCADHP C(CN[C@H]1CCC[NH2+]C1)C[C@@H]1CCC[NH2+]1 ZINC000414957910 352378569 /nfs/dbraw/zinc/37/85/69/352378569.db2.gz CDCHIDAVXSRUFW-RYUDHWBXSA-N 2 3 211.353 0.860 20 0 BCADHP [NH3+]C[C@H]1CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420292664 192203879 /nfs/dbraw/zinc/20/38/79/192203879.db2.gz PUQANGORTNXRLO-NWDGAFQWSA-N 2 3 211.353 0.799 20 0 BCADHP C[NH2+]CCCN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337359 192213672 /nfs/dbraw/zinc/21/36/72/192213672.db2.gz WUAOEDCKQNFIIO-CHWSQXEVSA-N 2 3 225.380 0.917 20 0 BCADHP CNCCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337359 192213674 /nfs/dbraw/zinc/21/36/74/192213674.db2.gz WUAOEDCKQNFIIO-CHWSQXEVSA-N 2 3 225.380 0.917 20 0 BCADHP CNCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337359 192213675 /nfs/dbraw/zinc/21/36/75/192213675.db2.gz WUAOEDCKQNFIIO-CHWSQXEVSA-N 2 3 225.380 0.917 20 0 BCADHP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000583084339 357475019 /nfs/dbraw/zinc/47/50/19/357475019.db2.gz OZHXXXKLLFUEFD-SDDRHHMPSA-N 2 3 209.337 0.137 20 0 BCADHP CC[NH+]1CCC(NCCOCCC[NH3+])CC1 ZINC000629398343 361048962 /nfs/dbraw/zinc/04/89/62/361048962.db2.gz RFNVFAONZYRNHH-UHFFFAOYSA-N 2 3 229.368 0.426 20 0 BCADHP C[NH2+]CCOCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000629531424 361148967 /nfs/dbraw/zinc/14/89/67/361148967.db2.gz KRUOTCANAVXHEP-VXGBXAGGSA-N 2 3 229.368 0.200 20 0 BCADHP [NH3+]CCCOCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000629538835 361403424 /nfs/dbraw/zinc/40/34/24/361403424.db2.gz OUIYWKGHCPGBOV-MNOVXSKESA-N 2 3 215.341 0.211 20 0 BCADHP C1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC000629553613 361438424 /nfs/dbraw/zinc/43/84/24/361438424.db2.gz BMVSODYCIXCVSY-IRCOFANPSA-N 2 3 209.337 0.326 20 0 BCADHP [NH3+]CCCOCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000629541304 361416935 /nfs/dbraw/zinc/41/69/35/361416935.db2.gz YHWZGLMFKHTRCY-GHMZBOCLSA-N 2 3 215.341 0.069 20 0 BCADHP NC[C@H]1CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629541304 361416940 /nfs/dbraw/zinc/41/69/40/361416940.db2.gz YHWZGLMFKHTRCY-GHMZBOCLSA-N 2 3 215.341 0.069 20 0 BCADHP C[C@H]1CC[C@H](NCC2CC[NH2+]CC2)C[NH2+]1 ZINC000629660311 361565311 /nfs/dbraw/zinc/56/53/11/361565311.db2.gz RJRRLUUTVOSUDB-JQWIXIFHSA-N 2 3 211.353 0.716 20 0 BCADHP C[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000629672226 361614589 /nfs/dbraw/zinc/61/45/89/361614589.db2.gz OQNZSFJGBMZTPL-FIQHERPVSA-N 2 3 211.353 0.715 20 0 BCADHP C[NH2+]C[C@@](C)(O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000573379505 364816046 /nfs/dbraw/zinc/81/60/46/364816046.db2.gz KGSIPURPXXJCDZ-CMPLNLGQSA-N 2 3 229.368 0.016 20 0 BCADHP CNC[C@@](C)(O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000573379505 364816049 /nfs/dbraw/zinc/81/60/49/364816049.db2.gz KGSIPURPXXJCDZ-CMPLNLGQSA-N 2 3 229.368 0.016 20 0 BCADHP C[NH2+]CC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000573966047 364956491 /nfs/dbraw/zinc/95/64/91/364956491.db2.gz OAZSEFSWOZBHQP-ZDUSSCGKSA-N 2 3 225.380 0.917 20 0 BCADHP [NH3+][C@@]12CCC[C@H]1CN(CC1CC[NH2+]CC1)C2 ZINC000621777484 370527602 /nfs/dbraw/zinc/52/76/02/370527602.db2.gz CYFWDHPMYWEGFW-QWHCGFSZSA-N 2 3 223.364 0.799 20 0 BCADHP C(C[C@H]1CC[NH2+]C1)[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000631867670 372669821 /nfs/dbraw/zinc/66/98/21/372669821.db2.gz YQZGNRZUZMEVLO-UPJWGTAASA-N 2 3 223.364 0.718 20 0 BCADHP C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CN1 ZINC000647546793 384734695 /nfs/dbraw/zinc/73/46/95/384734695.db2.gz BMVSODYCIXCVSY-YFKTTZPYSA-N 2 3 209.337 0.326 20 0 BCADHP C1[NH2+]C[C@@H]2[C@H]1[C@H]2N[C@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547437 384738200 /nfs/dbraw/zinc/73/82/00/384738200.db2.gz WKWFATIMAPTBBG-QKFSQAGISA-N 2 3 221.348 0.182 20 0 BCADHP C[C@]1(CN[C@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000647548060 384750539 /nfs/dbraw/zinc/75/05/39/384750539.db2.gz UAONZJUIJTTWGU-RYUDHWBXSA-N 2 3 223.364 0.718 20 0 BCADHP C[C@@H](N)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309509229 384764512 /nfs/dbraw/zinc/76/45/12/384764512.db2.gz WVNVYWRJNIDZGF-ZYHUDNBSSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H](N)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309509229 384764516 /nfs/dbraw/zinc/76/45/16/384764516.db2.gz WVNVYWRJNIDZGF-ZYHUDNBSSA-N 2 3 211.353 0.655 20 0 BCADHP CC[NH2+]CC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647854914 385910716 /nfs/dbraw/zinc/91/07/16/385910716.db2.gz JCZPFWSBFUQTSH-ZDUSSCGKSA-N 2 3 225.380 0.917 20 0 BCADHP NC[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647829672 385877920 /nfs/dbraw/zinc/87/79/20/385877920.db2.gz KNGQIDRSXUURNM-VXGBXAGGSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647829672 385877924 /nfs/dbraw/zinc/87/79/24/385877924.db2.gz KNGQIDRSXUURNM-VXGBXAGGSA-N 2 3 211.353 0.657 20 0 BCADHP C[NH2+]C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647836743 385880343 /nfs/dbraw/zinc/88/03/43/385880343.db2.gz OREPBVOCMINYTF-STQMWFEESA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647836743 385880348 /nfs/dbraw/zinc/88/03/48/385880348.db2.gz OREPBVOCMINYTF-STQMWFEESA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647836743 385880352 /nfs/dbraw/zinc/88/03/52/385880352.db2.gz OREPBVOCMINYTF-STQMWFEESA-N 2 3 225.380 0.917 20 0 BCADHP [NH3+]CC[C@@H]1CCCN(CC2(C[NH3+])CC2)C1 ZINC000414732887 386292692 /nfs/dbraw/zinc/29/26/92/386292692.db2.gz IUVSVAWMPMDIDE-NSHDSACASA-N 2 3 211.353 0.786 20 0 BCADHP C[C@@H]1C[C@@H](C[NH+]2CCC(N)CC2)CC[NH2+]1 ZINC000335447256 386513938 /nfs/dbraw/zinc/51/39/38/386513938.db2.gz BFSSXUKCRBIFMR-MNOVXSKESA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1C[C@@H](CN2CCC([NH3+])CC2)CC[NH2+]1 ZINC000335447256 386513942 /nfs/dbraw/zinc/51/39/42/386513942.db2.gz BFSSXUKCRBIFMR-MNOVXSKESA-N 2 3 211.353 0.798 20 0 BCADHP N[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000335448396 386517986 /nfs/dbraw/zinc/51/79/86/386517986.db2.gz PLADRHMXQQUAPB-VXGBXAGGSA-N 2 3 211.353 0.846 20 0 BCADHP C[C@]1(C[NH3+])CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000647954732 386682198 /nfs/dbraw/zinc/68/21/98/386682198.db2.gz UPHXJZGKZWLELD-NWDGAFQWSA-N 2 3 211.353 0.657 20 0 BCADHP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1CN ZINC000334817907 386944823 /nfs/dbraw/zinc/94/48/23/386944823.db2.gz ADYRUYNGEQSTPX-AAEUAGOBSA-N 2 3 225.380 0.903 20 0 BCADHP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1CN ZINC000334817907 386944830 /nfs/dbraw/zinc/94/48/30/386944830.db2.gz ADYRUYNGEQSTPX-AAEUAGOBSA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1C[C@H](C)N(CCOCC[NH3+])C[C@@H]1C[NH3+] ZINC000422636573 387610330 /nfs/dbraw/zinc/61/03/30/387610330.db2.gz NCZGCUWIHLBNOJ-WOPDTQHZSA-N 2 3 229.368 0.267 20 0 BCADHP CNC[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309547996 388367216 /nfs/dbraw/zinc/36/72/16/388367216.db2.gz CNEMKGABMCXDNI-LBPRGKRZSA-N 2 3 211.353 0.527 20 0 BCADHP CNC[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309547996 388367220 /nfs/dbraw/zinc/36/72/20/388367220.db2.gz CNEMKGABMCXDNI-LBPRGKRZSA-N 2 3 211.353 0.527 20 0 BCADHP C[C@@H](N)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240792 388637582 /nfs/dbraw/zinc/63/75/82/388637582.db2.gz NVNYPRPDQIVRCI-YPMHNXCESA-N 2 3 241.379 0.424 20 0 BCADHP C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000663512626 410282697 /nfs/dbraw/zinc/28/26/97/410282697.db2.gz GVQQRLYRZZIEJZ-IRCOFANPSA-N 2 3 211.353 0.572 20 0 BCADHP [NH3+]CCCN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724766 410361323 /nfs/dbraw/zinc/36/13/23/410361323.db2.gz LXBQOUJTADYHNN-UPJWGTAASA-N 2 3 241.379 0.696 20 0 BCADHP [NH3+]CC1(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000650748136 410388375 /nfs/dbraw/zinc/38/83/75/410388375.db2.gz NSLNRXLJRKUXEU-FOSCPWQOSA-N 2 3 223.364 0.988 20 0 BCADHP N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000656193083 411198402 /nfs/dbraw/zinc/19/84/02/411198402.db2.gz MBRBAMNOFNYWSI-UTUOFQBUSA-N 2 3 223.364 0.988 20 0 BCADHP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000656193083 411198405 /nfs/dbraw/zinc/19/84/05/411198405.db2.gz MBRBAMNOFNYWSI-UTUOFQBUSA-N 2 3 223.364 0.988 20 0 BCADHP C[C@H]1CCCN(CCOCC[NH3+])[C@@H]1CC[NH3+] ZINC000652355973 411215283 /nfs/dbraw/zinc/21/52/83/411215283.db2.gz OIPUSRZBZGEIRO-NWDGAFQWSA-N 2 3 229.368 0.411 20 0 BCADHP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C12CC(C1)CN2 ZINC000663501471 411686353 /nfs/dbraw/zinc/68/63/53/411686353.db2.gz WBHMYYPYIOAYGA-VWGAPNJBSA-N 2 3 235.375 0.716 20 0 BCADHP C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000663501471 411686355 /nfs/dbraw/zinc/68/63/55/411686355.db2.gz WBHMYYPYIOAYGA-VWGAPNJBSA-N 2 3 235.375 0.716 20 0 BCADHP C[NH2+]C[C@@H](C)N[C@H](C)C1CC[NH+](C)CC1 ZINC000665295224 412242477 /nfs/dbraw/zinc/24/24/77/412242477.db2.gz ALBVPIUYSWQXBA-GHMZBOCLSA-N 2 3 213.369 0.914 20 0 BCADHP C[C@H]1C[C@H](CN)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000335605242 177361491 /nfs/dbraw/zinc/36/14/91/177361491.db2.gz HTQPASBDBAWNGE-CMPLNLGQSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@H]1C[C@H](CN)C[N@H+]1CC1CC[NH2+]CC1 ZINC000335605242 177361493 /nfs/dbraw/zinc/36/14/93/177361493.db2.gz HTQPASBDBAWNGE-CMPLNLGQSA-N 2 3 211.353 0.655 20 0 BCADHP CC1(C)CNC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000902445233 584598904 /nfs/dbraw/zinc/59/89/04/584598904.db2.gz PIKNECUBWMUQTK-VQXHTEKXSA-N 2 3 211.353 0.844 20 0 BCADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466792 584614098 /nfs/dbraw/zinc/61/40/98/584614098.db2.gz MQXPLNJSYQAOPR-GIFOWTIRSA-N 2 3 235.375 0.985 20 0 BCADHP [NH3+]C[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000902485994 584625435 /nfs/dbraw/zinc/62/54/35/584625435.db2.gz DSKWPCYBTJRRGC-CYDGBPFRSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+]C[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000902485994 584625437 /nfs/dbraw/zinc/62/54/37/584625437.db2.gz DSKWPCYBTJRRGC-CYDGBPFRSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000902485994 584625438 /nfs/dbraw/zinc/62/54/38/584625438.db2.gz DSKWPCYBTJRRGC-CYDGBPFRSA-N 2 3 223.364 0.940 20 0 BCADHP C[NH2+]CC1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903422865 584764494 /nfs/dbraw/zinc/76/44/94/584764494.db2.gz KLWBAEPYTYXMCQ-YPMHNXCESA-N 2 3 225.380 0.773 20 0 BCADHP C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903494954 584781114 /nfs/dbraw/zinc/78/11/14/584781114.db2.gz SHMITKQRIDHPNB-IJLUTSLNSA-N 2 3 211.353 0.513 20 0 BCADHP C([NH2+][C@H]1CCNC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918568 584822838 /nfs/dbraw/zinc/82/28/38/584822838.db2.gz BULVFLRPDOKVCO-YATPEIPISA-N 2 3 209.337 0.469 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CCN[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000903979210 584833491 /nfs/dbraw/zinc/83/34/91/584833491.db2.gz YPWFMLHQAPUHDW-UMSGYPCISA-N 2 3 225.380 0.820 20 0 BCADHP C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299896 584860871 /nfs/dbraw/zinc/86/08/71/584860871.db2.gz QWYALPGGHDZLFD-FIQHERPVSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@H](N)[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299896 584860872 /nfs/dbraw/zinc/86/08/72/584860872.db2.gz QWYALPGGHDZLFD-FIQHERPVSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@H](N)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299896 584860873 /nfs/dbraw/zinc/86/08/73/584860873.db2.gz QWYALPGGHDZLFD-FIQHERPVSA-N 2 3 211.353 0.783 20 0 BCADHP NCC[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350098 584868847 /nfs/dbraw/zinc/86/88/47/584868847.db2.gz HXSXBJBWRYIDKB-GRYCIOLGSA-N 2 3 211.353 0.927 20 0 BCADHP NCC[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350098 584868848 /nfs/dbraw/zinc/86/88/48/584868848.db2.gz HXSXBJBWRYIDKB-GRYCIOLGSA-N 2 3 211.353 0.927 20 0 BCADHP [NH3+]CC[C@H]1CCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350098 584868849 /nfs/dbraw/zinc/86/88/49/584868849.db2.gz HXSXBJBWRYIDKB-GRYCIOLGSA-N 2 3 211.353 0.927 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000904351627 584869571 /nfs/dbraw/zinc/86/95/71/584869571.db2.gz ZVXROMFAWNNXOD-TUAOUCFPSA-N 2 3 209.337 0.409 20 0 BCADHP CCO[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CN ZINC000904376360 584876401 /nfs/dbraw/zinc/87/64/01/584876401.db2.gz PPFFCWPEHCYRIV-WISYIIOYSA-N 2 3 227.352 0.019 20 0 BCADHP CCO[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CN ZINC000904376360 584876402 /nfs/dbraw/zinc/87/64/02/584876402.db2.gz PPFFCWPEHCYRIV-WISYIIOYSA-N 2 3 227.352 0.019 20 0 BCADHP CCO[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000904376360 584876403 /nfs/dbraw/zinc/87/64/03/584876403.db2.gz PPFFCWPEHCYRIV-WISYIIOYSA-N 2 3 227.352 0.019 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000904380131 584876486 /nfs/dbraw/zinc/87/64/86/584876486.db2.gz IQRQAANOVLTQTI-NNYUYHANSA-N 2 3 209.337 0.537 20 0 BCADHP COCCC1([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCNCC1 ZINC000904384371 584877286 /nfs/dbraw/zinc/87/72/86/584877286.db2.gz JZIWCACLLCOFJQ-TXEJJXNPSA-N 2 3 241.379 0.472 20 0 BCADHP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CCNC[C@@H]3C2)CC[NH2+]1 ZINC000904420505 584882193 /nfs/dbraw/zinc/88/21/93/584882193.db2.gz QVLCJRVHZZFPTH-YIYPIFLZSA-N 2 3 237.391 0.916 20 0 BCADHP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCNC[C@@H]3C2)CC[NH2+]1 ZINC000904420505 584882194 /nfs/dbraw/zinc/88/21/94/584882194.db2.gz QVLCJRVHZZFPTH-YIYPIFLZSA-N 2 3 237.391 0.916 20 0 BCADHP C[C@H]1C[C@H](CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]1 ZINC000873228995 590001186 /nfs/dbraw/zinc/00/11/86/590001186.db2.gz NAIURGVKBYRUCZ-RFQIPJPRSA-N 2 3 237.391 0.916 20 0 BCADHP NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248428 590004847 /nfs/dbraw/zinc/00/48/47/590004847.db2.gz ACJQWYPENUOAIO-YFKTTZPYSA-N 2 3 211.353 0.831 20 0 BCADHP C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000873255042 590010082 /nfs/dbraw/zinc/01/00/82/590010082.db2.gz DOJLAMDPNRNJCK-KKOKHZNYSA-N 2 3 211.353 0.844 20 0 BCADHP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)C1CNC1 ZINC000873270913 590016277 /nfs/dbraw/zinc/01/62/77/590016277.db2.gz CEWNCIHQMXRUKR-UWVGGRQHSA-N 2 3 211.353 0.572 20 0 BCADHP [NH3+]C1CC(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925729520 634544362 /nfs/dbraw/zinc/54/43/62/634544362.db2.gz KCXLXWKAKQRDRB-CHIXHJKISA-N 2 3 221.348 0.310 20 0 BCADHP [NH3+]C1CCN(CCN[C@H]2CCC[NH2+]CC2)CC1 ZINC000925817410 635386773 /nfs/dbraw/zinc/38/67/73/635386773.db2.gz RNDSNJQXUDWWJT-ZDUSSCGKSA-N 2 3 240.395 0.141 20 0 BCADHP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CNCC2(C)C)CC[NH2+]1 ZINC000904461392 637406695 /nfs/dbraw/zinc/40/66/95/637406695.db2.gz IXIXJAKCWSOUFG-GRYCIOLGSA-N 2 3 225.380 0.962 20 0 BCADHP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H](O)CN ZINC000923366130 644377008 /nfs/dbraw/zinc/37/70/08/644377008.db2.gz JSJBLWURQHWXJH-PSEXLTFBSA-N 2 3 241.379 0.159 20 0 BCADHP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H](O)CN ZINC000923366130 644377010 /nfs/dbraw/zinc/37/70/10/644377010.db2.gz JSJBLWURQHWXJH-PSEXLTFBSA-N 2 3 241.379 0.159 20 0 BCADHP CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H](O)C[NH3+] ZINC000923366130 644377014 /nfs/dbraw/zinc/37/70/14/644377014.db2.gz JSJBLWURQHWXJH-PSEXLTFBSA-N 2 3 241.379 0.159 20 0 BCADHP CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923369110 644381511 /nfs/dbraw/zinc/38/15/11/644381511.db2.gz VXSNTQOERVERFT-WDEREUQCSA-N 2 3 241.379 0.328 20 0 BCADHP CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923422366 644420107 /nfs/dbraw/zinc/42/01/07/644420107.db2.gz QMELLYIFTLZILA-GMTAPVOTSA-N 2 3 239.363 0.080 20 0 BCADHP CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923422366 644420113 /nfs/dbraw/zinc/42/01/13/644420113.db2.gz QMELLYIFTLZILA-GMTAPVOTSA-N 2 3 239.363 0.080 20 0 BCADHP C[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923499846 644471757 /nfs/dbraw/zinc/47/17/57/644471757.db2.gz MMDINTJWVPOXNK-GRYCIOLGSA-N 2 3 211.353 0.513 20 0 BCADHP C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923499849 644473810 /nfs/dbraw/zinc/47/38/10/644473810.db2.gz MMDINTJWVPOXNK-UTUOFQBUSA-N 2 3 211.353 0.513 20 0 BCADHP [NH3+]C[C@H]1CC[C@H](CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925699021 646422940 /nfs/dbraw/zinc/42/29/40/646422940.db2.gz IJAXWSVFHZMPPS-AVGNSLFASA-N 2 3 241.379 0.330 20 0 BCADHP CC1(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC[NH2+]CC1 ZINC000925700355 646424987 /nfs/dbraw/zinc/42/49/87/646424987.db2.gz SFRCNNCCWHYNHB-QSLWVIQJSA-N 2 3 249.402 0.962 20 0 BCADHP CC1(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC[NH2+]CC1 ZINC000925700354 646425867 /nfs/dbraw/zinc/42/58/67/646425867.db2.gz SFRCNNCCWHYNHB-MEBFFEOJSA-N 2 3 249.402 0.962 20 0 BCADHP C[C@H](N)[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000381786366 710716148 /nfs/dbraw/zinc/71/61/48/710716148.db2.gz YWPWNWWFZAZTGY-QCNOEVLYSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@H](N)[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000381786366 710716150 /nfs/dbraw/zinc/71/61/50/710716150.db2.gz YWPWNWWFZAZTGY-QCNOEVLYSA-N 2 3 211.353 0.783 20 0 BCADHP CNC[C@@](C)(O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000584177651 343769528 /nfs/dbraw/zinc/76/95/28/343769528.db2.gz IAICKTWMZCUTKV-GFCCVEGCSA-N 2 3 241.379 0.032 20 0 BCADHP C[NH2+]C[C@@](C)(O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000584177651 343769529 /nfs/dbraw/zinc/76/95/29/343769529.db2.gz IAICKTWMZCUTKV-GFCCVEGCSA-N 2 3 241.379 0.032 20 0 BCADHP COC[C@H](CCC[NH3+])NCC[C@H](C)[NH3+] ZINC000622044459 344228044 /nfs/dbraw/zinc/22/80/44/344228044.db2.gz GMGLDLHOYGFKJM-UWVGGRQHSA-N 2 3 203.330 0.067 20 0 BCADHP C[C@@H]1C[C@H]([NH3+])CCN1CC1CC[NH2+]CC1 ZINC000309464910 347069055 /nfs/dbraw/zinc/06/90/55/347069055.db2.gz PTDCCCMWGCWDMM-ZYHUDNBSSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1C[C@H](N)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000309464910 347069057 /nfs/dbraw/zinc/06/90/57/347069057.db2.gz PTDCCCMWGCWDMM-ZYHUDNBSSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1C[C@H](N)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000309464910 347069059 /nfs/dbraw/zinc/06/90/59/347069059.db2.gz PTDCCCMWGCWDMM-ZYHUDNBSSA-N 2 3 211.353 0.798 20 0 BCADHP CC(C)[C@H](CN)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000634996851 345184329 /nfs/dbraw/zinc/18/43/29/345184329.db2.gz XBLOMSJFLULAHY-LLVKDONJSA-N 2 3 229.368 0.003 20 0 BCADHP CC(C)[C@H](CN)C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000634995475 345185381 /nfs/dbraw/zinc/18/53/81/345185381.db2.gz GGZGGJMGDPQNNK-NEPJUHHUSA-N 2 3 225.380 0.949 20 0 BCADHP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1CN ZINC000634999469 345200669 /nfs/dbraw/zinc/20/06/69/345200669.db2.gz VDRZOBBTUJSSRH-FDYHWXHSSA-N 2 3 225.380 0.901 20 0 BCADHP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1CN ZINC000634999469 345200670 /nfs/dbraw/zinc/20/06/70/345200670.db2.gz VDRZOBBTUJSSRH-FDYHWXHSSA-N 2 3 225.380 0.901 20 0 BCADHP C[C@H]1C[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000580075101 346511233 /nfs/dbraw/zinc/51/12/33/346511233.db2.gz ULXXYTLNLAVZOH-ZDEQEGDKSA-N 2 3 223.364 0.526 20 0 BCADHP C(C[C@@H]1CCC[NH2+]C1)[NH2+]C[C@@H]1CCCNC1 ZINC000580715338 346663494 /nfs/dbraw/zinc/66/34/94/346663494.db2.gz YFOOLTZGXQSPOZ-QWHCGFSZSA-N 2 3 225.380 0.965 20 0 BCADHP C[C@@H]([NH2+][C@@H]1CCNC1)C1CC[NH+](C)CC1 ZINC000396453151 362821076 /nfs/dbraw/zinc/82/10/76/362821076.db2.gz KSAPQFGJIOEMIJ-ZYHUDNBSSA-N 2 3 211.353 0.668 20 0 BCADHP [NH3+]CCCOC1CCN(CC2(C[NH3+])CC2)CC1 ZINC000577221287 365887712 /nfs/dbraw/zinc/88/77/12/365887712.db2.gz LWEGGBAJZOMHCT-UHFFFAOYSA-N 2 3 241.379 0.555 20 0 BCADHP NCC1(C[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000577221287 365887718 /nfs/dbraw/zinc/88/77/18/365887718.db2.gz LWEGGBAJZOMHCT-UHFFFAOYSA-N 2 3 241.379 0.555 20 0 BCADHP C[C@H]([NH3+])C1CC[NH+](CC2(CN)CC2)CC1 ZINC000571208254 350869897 /nfs/dbraw/zinc/86/98/97/350869897.db2.gz MNTKWJUFEXPFHB-JTQLQIEISA-N 2 3 211.353 0.785 20 0 BCADHP CC[NH2+][C@H](C)CNC[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414952077 352371955 /nfs/dbraw/zinc/37/19/55/352371955.db2.gz HZSREWBUWFWHEI-TUAOUCFPSA-N 2 3 213.369 0.962 20 0 BCADHP CC(C)([NH3+])CN1CCC2(C1)CC[NH2+]CC2 ZINC000261562143 535198318 /nfs/dbraw/zinc/19/83/18/535198318.db2.gz BCIFNLPTHDMXQB-UHFFFAOYSA-N 2 3 211.353 0.799 20 0 BCADHP C[NH2+]CCOCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000629531423 361148702 /nfs/dbraw/zinc/14/87/02/361148702.db2.gz KRUOTCANAVXHEP-RYUDHWBXSA-N 2 3 229.368 0.200 20 0 BCADHP C[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCCCN1 ZINC000629536266 361398653 /nfs/dbraw/zinc/39/86/53/361398653.db2.gz FTYLBYBJFSKZPF-RYUDHWBXSA-N 2 3 229.368 0.472 20 0 BCADHP [NH3+]CCCOCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000629539217 361403450 /nfs/dbraw/zinc/40/34/50/361403450.db2.gz OUIYWKGHCPGBOV-QWRGUYRKSA-N 2 3 215.341 0.211 20 0 BCADHP [NH3+]CCCOCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000629538834 361403922 /nfs/dbraw/zinc/40/39/22/361403922.db2.gz OUIYWKGHCPGBOV-GHMZBOCLSA-N 2 3 215.341 0.211 20 0 BCADHP C[C@@H]([NH3+])C[C@@H](C)NCCOCCC[NH3+] ZINC000629534578 361407530 /nfs/dbraw/zinc/40/75/30/361407530.db2.gz AHDGTHAIUCBEBD-NXEZZACHSA-N 2 3 203.330 0.067 20 0 BCADHP C1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CN1 ZINC000629553614 361438953 /nfs/dbraw/zinc/43/89/53/361438953.db2.gz BMVSODYCIXCVSY-NNYUYHANSA-N 2 3 209.337 0.326 20 0 BCADHP CC[N@@H+]1CC[C@@H](NCCOCCC[NH3+])[C@@H](C)C1 ZINC000629541603 361416493 /nfs/dbraw/zinc/41/64/93/361416493.db2.gz RVJVSKZFMJTSRG-QWHCGFSZSA-N 2 3 243.395 0.672 20 0 BCADHP CC[N@H+]1CC[C@@H](NCCOCCC[NH3+])[C@@H](C)C1 ZINC000629541603 361416495 /nfs/dbraw/zinc/41/64/95/361416495.db2.gz RVJVSKZFMJTSRG-QWHCGFSZSA-N 2 3 243.395 0.672 20 0 BCADHP [NH3+]CCCOCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000629541315 361416918 /nfs/dbraw/zinc/41/69/18/361416918.db2.gz YHWZGLMFKHTRCY-WDEREUQCSA-N 2 3 215.341 0.069 20 0 BCADHP NC[C@@H]1CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629541315 361416922 /nfs/dbraw/zinc/41/69/22/361416922.db2.gz YHWZGLMFKHTRCY-WDEREUQCSA-N 2 3 215.341 0.069 20 0 BCADHP CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000579602895 366901188 /nfs/dbraw/zinc/90/11/88/366901188.db2.gz XHGMVVNSVTXQRM-VXGBXAGGSA-N 2 3 229.368 0.018 20 0 BCADHP CNC[C@@](C)(O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000579602895 366901191 /nfs/dbraw/zinc/90/11/91/366901191.db2.gz XHGMVVNSVTXQRM-VXGBXAGGSA-N 2 3 229.368 0.018 20 0 BCADHP C[NH2+]C[C@@](C)(O)CN1CCC[C@H](CC[NH3+])C1 ZINC000579602895 366901196 /nfs/dbraw/zinc/90/11/96/366901196.db2.gz XHGMVVNSVTXQRM-VXGBXAGGSA-N 2 3 229.368 0.018 20 0 BCADHP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1CN ZINC000631838374 372629197 /nfs/dbraw/zinc/62/91/97/372629197.db2.gz NEQAOBYSCUDFFD-ZYHUDNBSSA-N 2 3 211.353 0.513 20 0 BCADHP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1CN ZINC000631838374 372629207 /nfs/dbraw/zinc/62/92/07/372629207.db2.gz NEQAOBYSCUDFFD-ZYHUDNBSSA-N 2 3 211.353 0.513 20 0 BCADHP C[C@H](CCN)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546911 384733549 /nfs/dbraw/zinc/73/35/49/384733549.db2.gz GZTDDHPGCWPBMJ-WRWGMCAJSA-N 2 3 211.353 0.701 20 0 BCADHP CC[NH2+][C@H](C)CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546799 384734331 /nfs/dbraw/zinc/73/43/31/384734331.db2.gz BTIAGDVDDZHGRM-YVECIDJPSA-N 2 3 225.380 0.962 20 0 BCADHP C[C@H]1C[NH2+]C[C@@H](NCC2(C)CC[NH2+]CC2)C1 ZINC000647547016 384736720 /nfs/dbraw/zinc/73/67/20/384736720.db2.gz KXRBTOQLEMBYIU-NEPJUHHUSA-N 2 3 225.380 0.964 20 0 BCADHP C1[NH2+]C[C@@H]2[C@H]1[C@H]2N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547436 384737376 /nfs/dbraw/zinc/73/73/76/384737376.db2.gz WKWFATIMAPTBBG-PTEOKISQSA-N 2 3 221.348 0.182 20 0 BCADHP C[C@H](CN)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547512 384741059 /nfs/dbraw/zinc/74/10/59/384741059.db2.gz YCVCZHRHQZBOEM-WRWGMCAJSA-N 2 3 211.353 0.559 20 0 BCADHP C[NH+](C)CC1CC[NH+](CC(C)(C)N)CC1 ZINC000042388610 384791048 /nfs/dbraw/zinc/79/10/48/384791048.db2.gz ZTUWDKFTRBJBRS-UHFFFAOYSA-N 2 3 213.369 0.997 20 0 BCADHP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](CN)C2)CC[NH2+]1 ZINC000647490238 385283236 /nfs/dbraw/zinc/28/32/36/385283236.db2.gz HHAPCEPBYBLBHZ-WOPDTQHZSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](CN)C2)CC[NH2+]1 ZINC000647490238 385283241 /nfs/dbraw/zinc/28/32/41/385283241.db2.gz HHAPCEPBYBLBHZ-WOPDTQHZSA-N 2 3 211.353 0.655 20 0 BCADHP [NH3+]CCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000414656497 386085758 /nfs/dbraw/zinc/08/57/58/386085758.db2.gz NBJYMOYULXDEBL-LBPRGKRZSA-N 2 3 211.353 0.799 20 0 BCADHP C[C@]1(C[NH2+]CC2CC[NH2+]CC2)CCCNC1 ZINC000414902740 386331281 /nfs/dbraw/zinc/33/12/81/386331281.db2.gz HNPOJNLCOLVQHU-ZDUSSCGKSA-N 2 3 225.380 0.965 20 0 BCADHP [NH3+]CCCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000414767881 386442673 /nfs/dbraw/zinc/44/26/73/386442673.db2.gz JNYDVADGRGQFEC-GFCCVEGCSA-N 2 3 211.353 0.657 20 0 BCADHP C([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC000415013680 386496441 /nfs/dbraw/zinc/49/64/41/386496441.db2.gz VFWYTJLSGNVUPD-KWCYVHTRSA-N 2 3 237.391 0.964 20 0 BCADHP C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000415013680 386496445 /nfs/dbraw/zinc/49/64/45/386496445.db2.gz VFWYTJLSGNVUPD-KWCYVHTRSA-N 2 3 237.391 0.964 20 0 BCADHP CC1(C)CNCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335447636 386513882 /nfs/dbraw/zinc/51/38/82/386513882.db2.gz FLDCJWBPYRELAT-LBPRGKRZSA-N 2 3 225.380 0.964 20 0 BCADHP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCN2)CC[NH2+]1 ZINC000414821507 386678790 /nfs/dbraw/zinc/67/87/90/386678790.db2.gz CIECSPCQWSYGRK-GRYCIOLGSA-N 2 3 211.353 0.716 20 0 BCADHP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCN2)CC[NH2+]1 ZINC000414821512 386679012 /nfs/dbraw/zinc/67/90/12/386679012.db2.gz CIECSPCQWSYGRK-UTUOFQBUSA-N 2 3 211.353 0.716 20 0 BCADHP C[C@@]1(C[NH3+])CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000647954733 386680947 /nfs/dbraw/zinc/68/09/47/386680947.db2.gz UPHXJZGKZWLELD-RYUDHWBXSA-N 2 3 211.353 0.657 20 0 BCADHP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000647907740 386699844 /nfs/dbraw/zinc/69/98/44/386699844.db2.gz NYCYNNIHSJQHON-FDYHWXHSSA-N 2 3 223.364 0.655 20 0 BCADHP CNC[C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000414830329 386706715 /nfs/dbraw/zinc/70/67/15/386706715.db2.gz AXCLFDHQJFUADX-UNXYVOJBSA-N 2 3 213.369 0.949 20 0 BCADHP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1CN ZINC000334817917 386946015 /nfs/dbraw/zinc/94/60/15/386946015.db2.gz ADYRUYNGEQSTPX-DGCLKSJQSA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1CN ZINC000334817917 386946018 /nfs/dbraw/zinc/94/60/18/386946018.db2.gz ADYRUYNGEQSTPX-DGCLKSJQSA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1N ZINC000516868145 388520271 /nfs/dbraw/zinc/52/02/71/388520271.db2.gz UGPGFXZIKBXYCU-WOPDTQHZSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1N ZINC000516868145 388520272 /nfs/dbraw/zinc/52/02/72/388520272.db2.gz UGPGFXZIKBXYCU-WOPDTQHZSA-N 2 3 211.353 0.655 20 0 BCADHP C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000663512630 410282537 /nfs/dbraw/zinc/28/25/37/410282537.db2.gz GVQQRLYRZZIEJZ-WHOHXGKFSA-N 2 3 211.353 0.572 20 0 BCADHP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)C1CNC1 ZINC000650761529 410409757 /nfs/dbraw/zinc/40/97/57/410409757.db2.gz BIKIBQTZVNRYPN-SNVBAGLBSA-N 2 3 211.353 0.574 20 0 BCADHP N[C@@H]1CCC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000656193286 411200687 /nfs/dbraw/zinc/20/06/87/411200687.db2.gz DXOLBRLGCVSSQH-MNOVXSKESA-N 2 3 211.353 0.975 20 0 BCADHP C(C[C@H]1CC[NH2+]C1)NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663495604 411670089 /nfs/dbraw/zinc/67/00/89/411670089.db2.gz ZQHJFCWPKKTEGW-WOPDTQHZSA-N 2 3 209.337 0.185 20 0 BCADHP C(N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663493112 411673451 /nfs/dbraw/zinc/67/34/51/411673451.db2.gz FPHIGKSZWJENJS-RFQIPJPRSA-N 2 3 235.375 0.527 20 0 BCADHP C[C@H](CCCC[NH3+])NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663500302 411682928 /nfs/dbraw/zinc/68/29/28/411682928.db2.gz ZYMSEDFEHOJYAQ-UTUOFQBUSA-N 2 3 211.353 0.703 20 0 BCADHP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C12CC(C1)CN2 ZINC000663501470 411685370 /nfs/dbraw/zinc/68/53/70/411685370.db2.gz WBHMYYPYIOAYGA-DEULPLRUSA-N 2 3 235.375 0.716 20 0 BCADHP C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000663501470 411685373 /nfs/dbraw/zinc/68/53/73/411685373.db2.gz WBHMYYPYIOAYGA-DEULPLRUSA-N 2 3 235.375 0.716 20 0 BCADHP COC[C@@H](CCC[NH3+])[NH2+]CC1(N)CCCC1 ZINC000665247248 412193809 /nfs/dbraw/zinc/19/38/09/412193809.db2.gz YLSCKTPUZYNDJY-LLVKDONJSA-N 2 3 229.368 0.601 20 0 BCADHP COC[C@@H](CCC[NH3+])NCC1([NH3+])CCCC1 ZINC000665247248 412193814 /nfs/dbraw/zinc/19/38/14/412193814.db2.gz YLSCKTPUZYNDJY-LLVKDONJSA-N 2 3 229.368 0.601 20 0 BCADHP C[C@@H]1CN(CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000309771427 176286090 /nfs/dbraw/zinc/28/60/90/176286090.db2.gz KNVPLRFXWKCQTQ-ZYHUDNBSSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1N ZINC000309771427 176286091 /nfs/dbraw/zinc/28/60/91/176286091.db2.gz KNVPLRFXWKCQTQ-ZYHUDNBSSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1N ZINC000309771427 176286092 /nfs/dbraw/zinc/28/60/92/176286092.db2.gz KNVPLRFXWKCQTQ-ZYHUDNBSSA-N 2 3 211.353 0.655 20 0 BCADHP CC1(C)NCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335646120 534985503 /nfs/dbraw/zinc/98/55/03/534985503.db2.gz LSZIBYSBAZSGTG-LLVKDONJSA-N 2 3 211.353 0.716 20 0 BCADHP C(N1CCC2(C1)CC[NH2+]CC2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853246747 588728668 /nfs/dbraw/zinc/72/86/68/588728668.db2.gz RSNLOVOIQHIESG-OCCSQVGLSA-N 2 3 235.375 0.671 20 0 BCADHP CC1(C)CNC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902447253 584604963 /nfs/dbraw/zinc/60/49/63/584604963.db2.gz XOMKJMYJSBTVEL-LPWJVIDDSA-N 2 3 237.391 0.962 20 0 BCADHP C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903478987 584778057 /nfs/dbraw/zinc/77/80/57/584778057.db2.gz OSJKTUXLBPPBPF-MROQNXINSA-N 2 3 223.364 0.655 20 0 BCADHP [NH3+][C@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872766 584815185 /nfs/dbraw/zinc/81/51/85/584815185.db2.gz BWUZUPCVMOPMOJ-HSTDOPHLSA-N 2 3 209.337 0.550 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCNCC1 ZINC000903979111 584832882 /nfs/dbraw/zinc/83/28/82/584832882.db2.gz VWTXXEBXXJSAMJ-UPJWGTAASA-N 2 3 225.380 0.964 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCNCC1 ZINC000903978796 584832900 /nfs/dbraw/zinc/83/29/00/584832900.db2.gz MNIHILOCWKPBEC-GHMZBOCLSA-N 2 3 211.353 0.574 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H]1CCC[NH2+]C1 ZINC000903978690 584833062 /nfs/dbraw/zinc/83/30/62/584833062.db2.gz KQEXLBXKAIIHKC-IJLUTSLNSA-N 2 3 211.353 0.574 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCCNC3)C1 ZINC000904334388 584866381 /nfs/dbraw/zinc/86/63/81/584866381.db2.gz UTFSWKXPEIUKTK-FRRDWIJNSA-N 2 3 223.364 0.799 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCCNC3)C1 ZINC000904334388 584866382 /nfs/dbraw/zinc/86/63/82/584866382.db2.gz UTFSWKXPEIUKTK-FRRDWIJNSA-N 2 3 223.364 0.799 20 0 BCADHP C[C@H]1C[C@H]([NH2+]C2CCN(CC[NH3+])CC2)CCN1 ZINC000904355400 584870895 /nfs/dbraw/zinc/87/08/95/584870895.db2.gz NBQNICMXBGLZIK-WCQYABFASA-N 2 3 240.395 0.140 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000904357765 584872013 /nfs/dbraw/zinc/87/20/13/584872013.db2.gz AWENCCJXZFOWHU-TUAOUCFPSA-N 2 3 223.364 0.988 20 0 BCADHP [NH3+]CCN1CCC(N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000904374364 584873703 /nfs/dbraw/zinc/87/37/03/584873703.db2.gz REASFPHVFWMCMX-CHWSQXEVSA-N 2 3 240.395 0.269 20 0 BCADHP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904380352 584876588 /nfs/dbraw/zinc/87/65/88/584876588.db2.gz AVMHREZKVXYUSZ-MPZDIEGVSA-N 2 3 223.364 0.655 20 0 BCADHP CC(C)[C@@H](CN)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407099 584878471 /nfs/dbraw/zinc/87/84/71/584878471.db2.gz NIJKLFFJXXCCQK-NEPJUHHUSA-N 2 3 213.369 0.888 20 0 BCADHP CC(C)[C@@H](CN)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407099 584878472 /nfs/dbraw/zinc/87/84/72/584878472.db2.gz NIJKLFFJXXCCQK-NEPJUHHUSA-N 2 3 213.369 0.888 20 0 BCADHP CC(C)[C@H](CN)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407100 584878529 /nfs/dbraw/zinc/87/85/29/584878529.db2.gz NIJKLFFJXXCCQK-NWDGAFQWSA-N 2 3 213.369 0.888 20 0 BCADHP CC(C)[C@H](CN)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407100 584878531 /nfs/dbraw/zinc/87/85/31/584878531.db2.gz NIJKLFFJXXCCQK-NWDGAFQWSA-N 2 3 213.369 0.888 20 0 BCADHP C[C@@H]1CN(CC2(C[NH3+])CC2)CC[C@@H]1C[NH3+] ZINC000904410583 584878840 /nfs/dbraw/zinc/87/88/40/584878840.db2.gz PAXIPLQQJDAOOW-GHMZBOCLSA-N 2 3 211.353 0.642 20 0 BCADHP C[C@@H]1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1[NH3+] ZINC000904415387 584880454 /nfs/dbraw/zinc/88/04/54/584880454.db2.gz GUUMQBUJJWONIS-WRWGMCAJSA-N 2 3 211.353 0.654 20 0 BCADHP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCNC[C@@H]3C2)CC[NH2+]1 ZINC000904420504 584882167 /nfs/dbraw/zinc/88/21/67/584882167.db2.gz QVLCJRVHZZFPTH-XDQVBPFNSA-N 2 3 237.391 0.916 20 0 BCADHP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCNC[C@@H]3C2)CC[NH2+]1 ZINC000904420504 584882168 /nfs/dbraw/zinc/88/21/68/584882168.db2.gz QVLCJRVHZZFPTH-XDQVBPFNSA-N 2 3 237.391 0.916 20 0 BCADHP [NH3+]CCCCCC[NH2+]CC12CC(C1)CN2 ZINC000873213490 589997163 /nfs/dbraw/zinc/99/71/63/589997163.db2.gz FMGCVUIFOGJWJM-UHFFFAOYSA-N 2 3 211.353 0.847 20 0 BCADHP C[C@H]([NH2+]CC1(CN)CC1)C1CC[NH2+]CC1 ZINC000873220742 589998711 /nfs/dbraw/zinc/99/87/11/589998711.db2.gz SKVSNFHSECFUKH-JTQLQIEISA-N 2 3 211.353 0.703 20 0 BCADHP C([NH2+][C@@]12CCC[C@@H]1NCC2)C1CC[NH2+]CC1 ZINC000873229788 590001898 /nfs/dbraw/zinc/00/18/98/590001898.db2.gz FZLILNFPHUWCEF-QWHCGFSZSA-N 2 3 223.364 0.860 20 0 BCADHP C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250894 590007940 /nfs/dbraw/zinc/00/79/40/590007940.db2.gz RJMRALJIXPPOII-WISYIIOYSA-N 2 3 211.353 0.701 20 0 BCADHP NC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873254677 590010501 /nfs/dbraw/zinc/01/05/01/590010501.db2.gz ACJQWYPENUOAIO-KKOKHZNYSA-N 2 3 211.353 0.831 20 0 BCADHP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CNC1 ZINC000873261719 590014134 /nfs/dbraw/zinc/01/41/34/590014134.db2.gz RBFHTKWWENWISM-DJIHRAIXSA-N 2 3 223.364 0.715 20 0 BCADHP [NH3+]CC[C@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310523120 632759125 /nfs/dbraw/zinc/75/91/25/632759125.db2.gz MKBMVUHXDGADAK-STQMWFEESA-N 2 3 241.379 0.114 20 0 BCADHP C[NH2+]C1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000309356185 632967964 /nfs/dbraw/zinc/96/79/64/632967964.db2.gz AEIKTSJUCKBRKD-MNOVXSKESA-N 2 3 211.353 0.798 20 0 BCADHP C[NH+]1CCC(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000328568834 633779316 /nfs/dbraw/zinc/77/93/16/633779316.db2.gz PUASLRMYKKLRDM-XPABHHOTSA-N 2 3 249.402 0.914 20 0 BCADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC[C@H]1CCC[NH2+]1 ZINC000925690498 634313619 /nfs/dbraw/zinc/31/36/19/634313619.db2.gz GODWPFKIVPKZPZ-IJLVLRJLSA-N 2 3 223.364 0.844 20 0 BCADHP C[C@@H]1C[C@@H](C[NH2+][C@H]2CNCC2(C)C)CC[NH2+]1 ZINC000904461396 637406055 /nfs/dbraw/zinc/40/60/55/637406055.db2.gz IXIXJAKCWSOUFG-WOPDTQHZSA-N 2 3 225.380 0.962 20 0 BCADHP NC1CC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000906511497 638185424 /nfs/dbraw/zinc/18/54/24/638185424.db2.gz XVSPKPSUHZJDHM-TWFPBLDLSA-N 2 3 209.337 0.454 20 0 BCADHP C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923330354 644348985 /nfs/dbraw/zinc/34/89/85/644348985.db2.gz CSKWZPSFUATFIK-QJPTWQEYSA-N 2 3 239.363 0.034 20 0 BCADHP [NH3+]CCCN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453026 644441316 /nfs/dbraw/zinc/44/13/16/644441316.db2.gz YGSGETQQEJYQBE-LLVKDONJSA-N 2 3 227.352 0.165 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@H]1CN ZINC000925798421 646487268 /nfs/dbraw/zinc/48/72/68/646487268.db2.gz WPKRXWMAZLKBLJ-XQHKEYJVSA-N 2 3 225.380 0.949 20 0 BCADHP NC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879382 711761911 /nfs/dbraw/zinc/76/19/11/711761911.db2.gz CQYKPBAWAJDZKC-WYUUTHIRSA-N 2 3 211.353 0.831 20 0 BCADHP [NH3+][C@]12CCC[C@@H]1CN(CC[C@H]1CC[NH2+]C1)C2 ZINC000621784312 343909068 /nfs/dbraw/zinc/90/90/68/343909068.db2.gz MXHMIKYVOSEVRB-UPJWGTAASA-N 2 3 223.364 0.799 20 0 BCADHP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000582122921 344425378 /nfs/dbraw/zinc/42/53/78/344425378.db2.gz QRUSLXBAWZADBS-UPJWGTAASA-N 2 3 223.364 0.527 20 0 BCADHP CC(C)[C@@H](CN)C[NH+]1CCC(C[NH3+])CC1 ZINC000634991111 345173943 /nfs/dbraw/zinc/17/39/43/345173943.db2.gz QDUJUSCYTFSGKN-LBPRGKRZSA-N 2 3 213.369 0.888 20 0 BCADHP CC(C)[C@@H](C[NH3+])CN1CCC(C[NH3+])CC1 ZINC000634991111 345173945 /nfs/dbraw/zinc/17/39/45/345173945.db2.gz QDUJUSCYTFSGKN-LBPRGKRZSA-N 2 3 213.369 0.888 20 0 BCADHP CC(C)[C@@H](CN)C[NH2+][C@H](C)CCC[NH3+] ZINC000634995383 345184450 /nfs/dbraw/zinc/18/44/50/345184450.db2.gz CFUDIZNZAHUSBL-MNOVXSKESA-N 2 3 201.358 0.934 20 0 BCADHP CC(C)[C@@H](CN)C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000634995477 345185091 /nfs/dbraw/zinc/18/50/91/345185091.db2.gz GGZGGJMGDPQNNK-RYUDHWBXSA-N 2 3 225.380 0.949 20 0 BCADHP CC(C)[C@H](CN)C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000634996091 345186780 /nfs/dbraw/zinc/18/67/80/345186780.db2.gz ZDRCMUVDMSDUPI-TUAOUCFPSA-N 2 3 213.369 0.934 20 0 BCADHP [NH3+]CC1(CC[NH2+]CC23CC(C2)CN3)CC1 ZINC000634996734 345193506 /nfs/dbraw/zinc/19/35/06/345193506.db2.gz SSZAHEHZXNWSIC-UHFFFAOYSA-N 2 3 209.337 0.457 20 0 BCADHP C[C@@H]([NH2+][C@H]1CCNC1)C1CC[NH+](C)CC1 ZINC000396453150 538034834 /nfs/dbraw/zinc/03/48/34/538034834.db2.gz KSAPQFGJIOEMIJ-PWSUYJOCSA-N 2 3 211.353 0.668 20 0 BCADHP C[NH2+]CCOCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000629531403 361149089 /nfs/dbraw/zinc/14/90/89/361149089.db2.gz KBVBBLUIOHNLET-MNOVXSKESA-N 2 3 215.341 0.082 20 0 BCADHP CNC[C@@](C)(O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000579132841 366721919 /nfs/dbraw/zinc/72/19/19/366721919.db2.gz OMQFHJBAERDYTE-GFCCVEGCSA-N 2 3 229.368 0.018 20 0 BCADHP CNC[C@](C)(O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000579132842 366722409 /nfs/dbraw/zinc/72/24/09/366722409.db2.gz OMQFHJBAERDYTE-LBPRGKRZSA-N 2 3 229.368 0.018 20 0 BCADHP C[C@H]([NH2+]CCOCCC[NH3+])[C@H]1CCCCN1 ZINC000629536265 361398511 /nfs/dbraw/zinc/39/85/11/361398511.db2.gz FTYLBYBJFSKZPF-NWDGAFQWSA-N 2 3 229.368 0.472 20 0 BCADHP C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629544092 361413052 /nfs/dbraw/zinc/41/30/52/361413052.db2.gz FANNLEBYRSIRGW-JZRPKSSGSA-N 2 3 223.364 0.715 20 0 BCADHP C[C@H](C[C@H](C)[NH3+])NCCOCCC[NH3+] ZINC000629534601 361407500 /nfs/dbraw/zinc/40/75/00/361407500.db2.gz AHDGTHAIUCBEBD-VHSXEESVSA-N 2 3 203.330 0.067 20 0 BCADHP C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629544096 361422193 /nfs/dbraw/zinc/42/21/93/361422193.db2.gz FANNLEBYRSIRGW-ZOLYEBIHSA-N 2 3 223.364 0.715 20 0 BCADHP C[NH2+]C[C@](C)(O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000573379506 364816855 /nfs/dbraw/zinc/81/68/55/364816855.db2.gz KGSIPURPXXJCDZ-JQWIXIFHSA-N 2 3 229.368 0.016 20 0 BCADHP CNC[C@](C)(O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000573379506 364816860 /nfs/dbraw/zinc/81/68/60/364816860.db2.gz KGSIPURPXXJCDZ-JQWIXIFHSA-N 2 3 229.368 0.016 20 0 BCADHP C[C@]1(CNCC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000575123286 365212315 /nfs/dbraw/zinc/21/23/15/365212315.db2.gz ARFRSKOKRKELFU-VXGBXAGGSA-N 2 3 211.353 0.575 20 0 BCADHP C[C@@]1(CNCC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000575123285 365212914 /nfs/dbraw/zinc/21/29/14/365212914.db2.gz ARFRSKOKRKELFU-RYUDHWBXSA-N 2 3 211.353 0.575 20 0 BCADHP C[C@H]([NH3+])[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000309833359 370259326 /nfs/dbraw/zinc/25/93/26/370259326.db2.gz ZFPMKYQWZAJWRZ-QWRGUYRKSA-N 2 3 215.341 0.021 20 0 BCADHP COC[C@H](CCC[NH3+])N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424381698 206040122 /nfs/dbraw/zinc/04/01/22/206040122.db2.gz ZJWMAHZVEYAGRV-QJPTWQEYSA-N 2 3 229.368 0.600 20 0 BCADHP C(NC[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000647546439 384729841 /nfs/dbraw/zinc/72/98/41/384729841.db2.gz KHCDHFUHAHOZIH-GFCCVEGCSA-N 2 3 211.353 0.718 20 0 BCADHP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCN1 ZINC000647546419 384730046 /nfs/dbraw/zinc/73/00/46/384730046.db2.gz JLEPFRWRSXTKPY-RVMXOQNASA-N 2 3 223.364 0.716 20 0 BCADHP C[N@H+](CCCC1CC[NH2+]CC1)C[C@H](O)CN ZINC000647987577 386276050 /nfs/dbraw/zinc/27/60/50/386276050.db2.gz FNDNDOZQZFLGTQ-GFCCVEGCSA-N 2 3 229.368 0.018 20 0 BCADHP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H](O)CN ZINC000647987577 386276056 /nfs/dbraw/zinc/27/60/56/386276056.db2.gz FNDNDOZQZFLGTQ-GFCCVEGCSA-N 2 3 229.368 0.018 20 0 BCADHP CN(CCCC1CC[NH2+]CC1)C[C@H](O)C[NH3+] ZINC000647987577 386276062 /nfs/dbraw/zinc/27/60/62/386276062.db2.gz FNDNDOZQZFLGTQ-GFCCVEGCSA-N 2 3 229.368 0.018 20 0 BCADHP C[C@]1(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[NH2+]C1 ZINC000415008955 386396447 /nfs/dbraw/zinc/39/64/47/386396447.db2.gz NMCJWAOFCZLYHQ-MJBXVCDLSA-N 2 3 237.391 0.964 20 0 BCADHP C[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1[NH3+] ZINC000414760229 386413615 /nfs/dbraw/zinc/41/36/15/386413615.db2.gz GUUMQBUJJWONIS-KKOKHZNYSA-N 2 3 211.353 0.654 20 0 BCADHP [NH3+]CCCN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774745 386470478 /nfs/dbraw/zinc/47/04/78/386470478.db2.gz FWJXRFOGCQDXQF-NWDGAFQWSA-N 2 3 211.353 0.657 20 0 BCADHP NCCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774745 386470484 /nfs/dbraw/zinc/47/04/84/386470484.db2.gz FWJXRFOGCQDXQF-NWDGAFQWSA-N 2 3 211.353 0.657 20 0 BCADHP NCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774745 386470489 /nfs/dbraw/zinc/47/04/89/386470489.db2.gz FWJXRFOGCQDXQF-NWDGAFQWSA-N 2 3 211.353 0.657 20 0 BCADHP C([NH2+]C[C@@H]1CCCNC1)C1CC[NH2+]CC1 ZINC000414837204 386735885 /nfs/dbraw/zinc/73/58/85/386735885.db2.gz VSKYECSSWFMLPS-GFCCVEGCSA-N 2 3 211.353 0.575 20 0 BCADHP CNC[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423281594 388063909 /nfs/dbraw/zinc/06/39/09/388063909.db2.gz VUQBHAWDTGSWSD-QWRGUYRKSA-N 2 3 201.358 0.949 20 0 BCADHP [NH3+]CCCN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707518 410338088 /nfs/dbraw/zinc/33/80/88/410338088.db2.gz HTQHPTFOMOLBMU-AVGNSLFASA-N 2 3 241.379 0.554 20 0 BCADHP NCCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707518 410338094 /nfs/dbraw/zinc/33/80/94/410338094.db2.gz HTQHPTFOMOLBMU-AVGNSLFASA-N 2 3 241.379 0.554 20 0 BCADHP NCCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707518 410338100 /nfs/dbraw/zinc/33/81/00/410338100.db2.gz HTQHPTFOMOLBMU-AVGNSLFASA-N 2 3 241.379 0.554 20 0 BCADHP C[C@@H]1CCCN(CCOCC[NH3+])[C@@H]1CC[NH3+] ZINC000652355975 411215363 /nfs/dbraw/zinc/21/53/63/411215363.db2.gz OIPUSRZBZGEIRO-VXGBXAGGSA-N 2 3 229.368 0.411 20 0 BCADHP CC[N@@H+]1CC[C@H](N(C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073355 170018404 /nfs/dbraw/zinc/01/84/04/170018404.db2.gz LHANYNIRJFECJS-OLZOCXBDSA-N 2 3 243.395 0.624 20 0 BCADHP CC[N@H+]1CC[C@H](N(C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073355 170018406 /nfs/dbraw/zinc/01/84/06/170018406.db2.gz LHANYNIRJFECJS-OLZOCXBDSA-N 2 3 243.395 0.624 20 0 BCADHP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C12CC(C1)CN2 ZINC000663501472 411685962 /nfs/dbraw/zinc/68/59/62/411685962.db2.gz WBHMYYPYIOAYGA-XLICRZQSSA-N 2 3 235.375 0.716 20 0 BCADHP C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000663501472 411685967 /nfs/dbraw/zinc/68/59/67/411685967.db2.gz WBHMYYPYIOAYGA-XLICRZQSSA-N 2 3 235.375 0.716 20 0 BCADHP C[C@H]1CC2(C[N@@H+]1CCCN)CC[NH2+]CC2 ZINC000335276513 177068136 /nfs/dbraw/zinc/06/81/36/177068136.db2.gz FDNNNYGCLQRXSO-NSHDSACASA-N 2 3 211.353 0.799 20 0 BCADHP C[C@H]1CC2(C[N@H+]1CCCN)CC[NH2+]CC2 ZINC000335276513 177068138 /nfs/dbraw/zinc/06/81/38/177068138.db2.gz FDNNNYGCLQRXSO-NSHDSACASA-N 2 3 211.353 0.799 20 0 BCADHP C[NH2+]C1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000567893090 326277912 /nfs/dbraw/zinc/27/79/12/326277912.db2.gz VLURURQHNIKCHJ-LLVKDONJSA-N 2 3 211.353 0.670 20 0 BCADHP CNC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000567893090 326277913 /nfs/dbraw/zinc/27/79/13/326277913.db2.gz VLURURQHNIKCHJ-LLVKDONJSA-N 2 3 211.353 0.670 20 0 BCADHP C[C@H]1CCNCC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490791 584618105 /nfs/dbraw/zinc/61/81/05/584618105.db2.gz VRBDQYCLHCTAOT-FIQHERPVSA-N 2 3 211.353 0.701 20 0 BCADHP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCCCN1 ZINC000902481602 584623842 /nfs/dbraw/zinc/62/38/42/584623842.db2.gz FNIAIDMPHYVKDF-CHWSQXEVSA-N 2 3 243.395 0.862 20 0 BCADHP C[C@H]([NH3+])C1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903422846 584764711 /nfs/dbraw/zinc/76/47/11/584764711.db2.gz JXXIFZDVLIUZFG-MDZLAQPJSA-N 2 3 225.380 0.901 20 0 BCADHP C[C@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460842 584766419 /nfs/dbraw/zinc/76/64/19/584766419.db2.gz JTOPBZDNRNYUEG-USZNOCQGSA-N 2 3 211.353 0.925 20 0 BCADHP C[C@H]1C[C@@H](N)CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460842 584766420 /nfs/dbraw/zinc/76/64/20/584766420.db2.gz JTOPBZDNRNYUEG-USZNOCQGSA-N 2 3 211.353 0.925 20 0 BCADHP C[C@H]1C[C@@H](N)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460842 584766421 /nfs/dbraw/zinc/76/64/21/584766421.db2.gz JTOPBZDNRNYUEG-USZNOCQGSA-N 2 3 211.353 0.925 20 0 BCADHP C[C@H](N)[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903447596 584770604 /nfs/dbraw/zinc/77/06/04/584770604.db2.gz YWPWNWWFZAZTGY-USZNOCQGSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@H](N)[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903447596 584770605 /nfs/dbraw/zinc/77/06/05/584770605.db2.gz YWPWNWWFZAZTGY-USZNOCQGSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H]1CN(C[C@H]2CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903494953 584780887 /nfs/dbraw/zinc/78/08/87/584780887.db2.gz SHMITKQRIDHPNB-GRYCIOLGSA-N 2 3 211.353 0.513 20 0 BCADHP N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000903842965 584807670 /nfs/dbraw/zinc/80/76/70/584807670.db2.gz YWHJGLPTXDOVSE-XQHKEYJVSA-N 2 3 223.364 0.798 20 0 BCADHP N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000903842965 584807671 /nfs/dbraw/zinc/80/76/71/584807671.db2.gz YWHJGLPTXDOVSE-XQHKEYJVSA-N 2 3 223.364 0.798 20 0 BCADHP N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000903842962 584807687 /nfs/dbraw/zinc/80/76/87/584807687.db2.gz YWHJGLPTXDOVSE-CYDGBPFRSA-N 2 3 223.364 0.798 20 0 BCADHP N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000903842962 584807688 /nfs/dbraw/zinc/80/76/88/584807688.db2.gz YWHJGLPTXDOVSE-CYDGBPFRSA-N 2 3 223.364 0.798 20 0 BCADHP C[C@H]1[C@@H]([NH3+])CCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903916137 584827322 /nfs/dbraw/zinc/82/73/22/584827322.db2.gz FMXBCXRBSDJNNS-ZZIFITQXSA-N 2 3 223.364 0.939 20 0 BCADHP C[C@@H]1CNC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903964617 584833916 /nfs/dbraw/zinc/83/39/16/584833916.db2.gz RWBXCNMIDPFHBY-JVGWCMFKSA-N 2 3 223.364 0.715 20 0 BCADHP [NH3+]CCN1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000904353041 584869911 /nfs/dbraw/zinc/86/99/11/584869911.db2.gz GTWSBWRZBDWLOB-CYBMUJFWSA-N 2 3 240.395 0.141 20 0 BCADHP C[C@H](C[NH3+])CNCc1ccc(C[NH3+])cc1 ZINC000904354039 584870472 /nfs/dbraw/zinc/87/04/72/584870472.db2.gz URKZWXAWYMIFEH-SNVBAGLBSA-N 2 3 207.321 0.830 20 0 BCADHP CC1(C)CNCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904354803 584870844 /nfs/dbraw/zinc/87/08/44/584870844.db2.gz GTPVGFOHWCXAKX-OUAUKWLOSA-N 2 3 211.353 0.701 20 0 BCADHP CCC1([NH3+])CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904385713 584878020 /nfs/dbraw/zinc/87/80/20/584878020.db2.gz CLHUCVSAOKENGR-PHIMTYICSA-N 2 3 211.353 0.927 20 0 BCADHP C[C@]1(CN2CC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000904405954 584878395 /nfs/dbraw/zinc/87/83/95/584878395.db2.gz BIGIBZPWFUIRNF-NEPJUHHUSA-N 2 3 211.353 0.657 20 0 BCADHP C[C@@]1(CN2CC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000904405957 584878558 /nfs/dbraw/zinc/87/85/58/584878558.db2.gz BIGIBZPWFUIRNF-VXGBXAGGSA-N 2 3 211.353 0.657 20 0 BCADHP C[C@@H]1CN(C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1[NH3+] ZINC000904415385 584880044 /nfs/dbraw/zinc/88/00/44/584880044.db2.gz GUUMQBUJJWONIS-NOOOWODRSA-N 2 3 211.353 0.654 20 0 BCADHP C[C@@H]1CN(C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1[NH3+] ZINC000904415386 584880086 /nfs/dbraw/zinc/88/00/86/584880086.db2.gz GUUMQBUJJWONIS-WISYIIOYSA-N 2 3 211.353 0.654 20 0 BCADHP CC(C)[C@@H](C[NH3+])CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420738 584881921 /nfs/dbraw/zinc/88/19/21/584881921.db2.gz VNYLEMHRWNZWMK-RWMBFGLXSA-N 2 3 225.380 0.759 20 0 BCADHP [NH3+]CCCCCC[NH+]1CCC(NCCO)CC1 ZINC000866682183 589511315 /nfs/dbraw/zinc/51/13/15/589511315.db2.gz JKZWLLVHWZLDOT-UHFFFAOYSA-N 2 3 243.395 0.552 20 0 BCADHP CC(C)(C)[C@@]1(C[NH3+])CCN(CCOCC[NH3+])C1 ZINC000866706221 589514186 /nfs/dbraw/zinc/51/41/86/589514186.db2.gz GPDGIDPKLUZHRV-CYBMUJFWSA-N 2 3 243.395 0.659 20 0 BCADHP C[C@@H]([NH2+]CC12CC(C1)CN2)C1CC[NH2+]CC1 ZINC000873219956 589999096 /nfs/dbraw/zinc/99/90/96/589999096.db2.gz HVXMHUNTCHXLLO-XSRFYTQQSA-N 2 3 223.364 0.716 20 0 BCADHP C[C@@H](NCC12CC(C1)C[NH2+]2)C1CC[NH2+]CC1 ZINC000873219956 589999097 /nfs/dbraw/zinc/99/90/97/589999097.db2.gz HVXMHUNTCHXLLO-XSRFYTQQSA-N 2 3 223.364 0.716 20 0 BCADHP C[C@H]1CCNCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250900 590008696 /nfs/dbraw/zinc/00/86/96/590008696.db2.gz RJMRALJIXPPOII-YFKTTZPYSA-N 2 3 211.353 0.701 20 0 BCADHP C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC[NH2+]CC1 ZINC000925730584 634559657 /nfs/dbraw/zinc/55/96/57/634559657.db2.gz XEKSWFFTIJHCKF-BMJAIKTRSA-N 2 3 249.402 0.961 20 0 BCADHP [NH3+][C@H]1C[C@H](NCC2=CC[NH2+]CC2)C12CCC2 ZINC000925696782 634357293 /nfs/dbraw/zinc/35/72/93/634357293.db2.gz AUOATNHNANCBQN-RYUDHWBXSA-N 2 3 221.348 0.766 20 0 BCADHP N[C@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)C12CCC2 ZINC000925696782 634357301 /nfs/dbraw/zinc/35/73/01/634357301.db2.gz AUOATNHNANCBQN-RYUDHWBXSA-N 2 3 221.348 0.766 20 0 BCADHP N[C@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C12CCC2 ZINC000925696779 634358671 /nfs/dbraw/zinc/35/86/71/634358671.db2.gz AUOATNHNANCBQN-NWDGAFQWSA-N 2 3 221.348 0.766 20 0 BCADHP [NH3+][C@H]1C[C@@H](NCC2=CC[NH2+]CC2)C12CCC2 ZINC000925696779 634358670 /nfs/dbraw/zinc/35/86/70/634358670.db2.gz AUOATNHNANCBQN-NWDGAFQWSA-N 2 3 221.348 0.766 20 0 BCADHP [NH3+]C1CCN(CCN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000925817409 635386582 /nfs/dbraw/zinc/38/65/82/635386582.db2.gz RNDSNJQXUDWWJT-CYBMUJFWSA-N 2 3 240.395 0.141 20 0 BCADHP N[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000906519301 638187815 /nfs/dbraw/zinc/18/78/15/638187815.db2.gz XVSPKPSUHZJDHM-LZQZFOIKSA-N 2 3 209.337 0.454 20 0 BCADHP N[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000906519305 638189693 /nfs/dbraw/zinc/18/96/93/638189693.db2.gz XVSPKPSUHZJDHM-NGDQXYMTSA-N 2 3 209.337 0.454 20 0 BCADHP CN(C[C@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)C[NH3+] ZINC000923294427 644332968 /nfs/dbraw/zinc/33/29/68/644332968.db2.gz LNWKIUCOJLFOBU-LLVKDONJSA-N 2 3 241.379 0.282 20 0 BCADHP C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923330357 644348435 /nfs/dbraw/zinc/34/84/35/644348435.db2.gz CSKWZPSFUATFIK-TUAOUCFPSA-N 2 3 239.363 0.034 20 0 BCADHP [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923383309 644394880 /nfs/dbraw/zinc/39/48/80/644394880.db2.gz YUJVNMIYLYSINW-QJPTWQEYSA-N 2 3 239.363 0.224 20 0 BCADHP CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923422367 644418393 /nfs/dbraw/zinc/41/83/93/644418393.db2.gz QMELLYIFTLZILA-HBNTYKKESA-N 2 3 239.363 0.080 20 0 BCADHP CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923422367 644418389 /nfs/dbraw/zinc/41/83/89/644418389.db2.gz QMELLYIFTLZILA-HBNTYKKESA-N 2 3 239.363 0.080 20 0 BCADHP C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923499848 644473065 /nfs/dbraw/zinc/47/30/65/644473065.db2.gz MMDINTJWVPOXNK-IJLUTSLNSA-N 2 3 211.353 0.513 20 0 BCADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCNC1 ZINC000925694402 646419982 /nfs/dbraw/zinc/41/99/82/646419982.db2.gz UDZHUHRPAQARAD-TZMBILIQSA-N 2 3 209.337 0.454 20 0 BCADHP C[NH+](C)[C@H]1C[C@@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925702639 646427300 /nfs/dbraw/zinc/42/73/00/646427300.db2.gz QAQFVQDOJFLUIF-GALFJALPSA-N 2 3 249.402 0.913 20 0 BCADHP C[C@@H]1NCC[C@H]1[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925719452 646443681 /nfs/dbraw/zinc/44/36/81/646443681.db2.gz RXWQCCABKFGXKL-NURVWSNCSA-N 2 3 239.363 0.079 20 0 BCADHP CNC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000381786699 710715848 /nfs/dbraw/zinc/71/58/48/710715848.db2.gz YYMKAVZYSQNJKS-WOPDTQHZSA-N 2 3 211.353 0.798 20 0 BCADHP CNC[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000381786699 710715853 /nfs/dbraw/zinc/71/58/53/710715853.db2.gz YYMKAVZYSQNJKS-WOPDTQHZSA-N 2 3 211.353 0.798 20 0 BCADHP [NH3+]CC[C@@H]1CC[N@H+](CCCNC2CC2)C1 ZINC000923479154 712334516 /nfs/dbraw/zinc/33/45/16/712334516.db2.gz MSPCNOGZSNUXER-LLVKDONJSA-N 2 3 211.353 0.799 20 0 BCADHP [NH3+]CC[C@@H]1CC[N@@H+](CCCNC2CC2)C1 ZINC000923479154 712334518 /nfs/dbraw/zinc/33/45/18/712334518.db2.gz MSPCNOGZSNUXER-LLVKDONJSA-N 2 3 211.353 0.799 20 0 BCADHP [NH3+]CC[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923479154 712334519 /nfs/dbraw/zinc/33/45/19/712334519.db2.gz MSPCNOGZSNUXER-LLVKDONJSA-N 2 3 211.353 0.799 20 0 BCADHP [NH3+]CC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000336516680 347057519 /nfs/dbraw/zinc/05/75/19/347057519.db2.gz AZYYVUOHOZHBLC-LBPRGKRZSA-N 2 3 211.353 0.657 20 0 BCADHP [NH3+]CC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000336516680 347057522 /nfs/dbraw/zinc/05/75/22/347057522.db2.gz AZYYVUOHOZHBLC-LBPRGKRZSA-N 2 3 211.353 0.657 20 0 BCADHP CC[NH2+][C@H](C)CNC[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414952075 352371948 /nfs/dbraw/zinc/37/19/48/352371948.db2.gz HZSREWBUWFWHEI-QJPTWQEYSA-N 2 3 213.369 0.962 20 0 BCADHP [NH3+]C[C@H]1CCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420292668 192203265 /nfs/dbraw/zinc/20/32/65/192203265.db2.gz PUQANGORTNXRLO-VXGBXAGGSA-N 2 3 211.353 0.799 20 0 BCADHP C[NH2+]CCCN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337367 192214718 /nfs/dbraw/zinc/21/47/18/192214718.db2.gz WUAOEDCKQNFIIO-STQMWFEESA-N 2 3 225.380 0.917 20 0 BCADHP CNCCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337367 192214721 /nfs/dbraw/zinc/21/47/21/192214721.db2.gz WUAOEDCKQNFIIO-STQMWFEESA-N 2 3 225.380 0.917 20 0 BCADHP CNCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337367 192214723 /nfs/dbraw/zinc/21/47/23/192214723.db2.gz WUAOEDCKQNFIIO-STQMWFEESA-N 2 3 225.380 0.917 20 0 BCADHP COCC1(CN[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000583143550 357493711 /nfs/dbraw/zinc/49/37/11/357493711.db2.gz PPUCMHAUWAQFAS-GFCCVEGCSA-N 2 3 241.379 0.344 20 0 BCADHP CC[C@@H]1NCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000629527727 361133697 /nfs/dbraw/zinc/13/36/97/361133697.db2.gz DDMRKQBKUQKXDA-MMVSWEMESA-N 2 3 211.353 0.986 20 0 BCADHP C[NH2+]CCOCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000629528493 361136563 /nfs/dbraw/zinc/13/65/63/361136563.db2.gz AMYXYVDGDCGVHG-NEPJUHHUSA-N 2 3 229.368 0.295 20 0 BCADHP C[NH2+]CCOCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000629528493 361136568 /nfs/dbraw/zinc/13/65/68/361136568.db2.gz AMYXYVDGDCGVHG-NEPJUHHUSA-N 2 3 229.368 0.295 20 0 BCADHP C[C@H]1CC[NH2+]CC[C@@H]1NCCOCCC[NH3+] ZINC000629539439 361405964 /nfs/dbraw/zinc/40/59/64/361405964.db2.gz RFZLJSOFTUPEQV-RYUDHWBXSA-N 2 3 229.368 0.330 20 0 BCADHP CC[N@@H+]1CC[C@@H](NCCOCCC[NH3+])[C@H](C)C1 ZINC000629541599 361416481 /nfs/dbraw/zinc/41/64/81/361416481.db2.gz RVJVSKZFMJTSRG-CHWSQXEVSA-N 2 3 243.395 0.672 20 0 BCADHP CC[N@H+]1CC[C@@H](NCCOCCC[NH3+])[C@H](C)C1 ZINC000629541599 361416483 /nfs/dbraw/zinc/41/64/83/361416483.db2.gz RVJVSKZFMJTSRG-CHWSQXEVSA-N 2 3 243.395 0.672 20 0 BCADHP C[C@H](C[C@@H]1CCC[NH2+]1)NCCOCCC[NH3+] ZINC000629677873 361600264 /nfs/dbraw/zinc/60/02/64/361600264.db2.gz IKJDCLRDKKVMNP-NEPJUHHUSA-N 2 3 229.368 0.472 20 0 BCADHP C[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000629672229 361614000 /nfs/dbraw/zinc/61/40/00/361614000.db2.gz OQNZSFJGBMZTPL-WRWGMCAJSA-N 2 3 211.353 0.715 20 0 BCADHP C[NH2+]C[C@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000573445393 364835065 /nfs/dbraw/zinc/83/50/65/364835065.db2.gz VEIBTKZVHDWSEP-CHWSQXEVSA-N 2 3 225.380 0.917 20 0 BCADHP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000631837961 369108111 /nfs/dbraw/zinc/10/81/11/369108111.db2.gz HQUPWYBXXMZMDQ-FRRDWIJNSA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000631837961 369108116 /nfs/dbraw/zinc/10/81/16/369108116.db2.gz HQUPWYBXXMZMDQ-FRRDWIJNSA-N 2 3 225.380 0.903 20 0 BCADHP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCN1 ZINC000647546418 384730266 /nfs/dbraw/zinc/73/02/66/384730266.db2.gz JLEPFRWRSXTKPY-LPWJVIDDSA-N 2 3 223.364 0.716 20 0 BCADHP CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546796 384733234 /nfs/dbraw/zinc/73/32/34/384733234.db2.gz BTIAGDVDDZHGRM-FDYHWXHSSA-N 2 3 225.380 0.962 20 0 BCADHP C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547115 384736433 /nfs/dbraw/zinc/73/64/33/384736433.db2.gz OHHIPMLNGUZNJW-KSTCHIGDSA-N 2 3 237.391 0.962 20 0 BCADHP C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547114 384737093 /nfs/dbraw/zinc/73/70/93/384737093.db2.gz OHHIPMLNGUZNJW-ITGHMWBKSA-N 2 3 237.391 0.962 20 0 BCADHP C1[NH2+]C[C@@H]2[C@H]1[C@H]2N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547435 384737187 /nfs/dbraw/zinc/73/71/87/384737187.db2.gz WKWFATIMAPTBBG-ISFYIQIJSA-N 2 3 221.348 0.182 20 0 BCADHP C[C@H](CN)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547509 384739716 /nfs/dbraw/zinc/73/97/16/384739716.db2.gz YCVCZHRHQZBOEM-DDHJBXDOSA-N 2 3 211.353 0.559 20 0 BCADHP C[C@]1(CN[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000647548058 384750771 /nfs/dbraw/zinc/75/07/71/384750771.db2.gz UAONZJUIJTTWGU-NEPJUHHUSA-N 2 3 223.364 0.718 20 0 BCADHP C[C@@]1(CN[C@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000647548059 384751472 /nfs/dbraw/zinc/75/14/72/384751472.db2.gz UAONZJUIJTTWGU-NWDGAFQWSA-N 2 3 223.364 0.718 20 0 BCADHP C[C@H](N)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309509226 384762218 /nfs/dbraw/zinc/76/22/18/384762218.db2.gz WVNVYWRJNIDZGF-CMPLNLGQSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@H](N)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309509226 384762225 /nfs/dbraw/zinc/76/22/25/384762225.db2.gz WVNVYWRJNIDZGF-CMPLNLGQSA-N 2 3 211.353 0.655 20 0 BCADHP NC[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647829671 385878957 /nfs/dbraw/zinc/87/89/57/385878957.db2.gz KNGQIDRSXUURNM-RYUDHWBXSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647829671 385878961 /nfs/dbraw/zinc/87/89/61/385878961.db2.gz KNGQIDRSXUURNM-RYUDHWBXSA-N 2 3 211.353 0.657 20 0 BCADHP [NH3+]CC1(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000414662522 386100353 /nfs/dbraw/zinc/10/03/53/386100353.db2.gz AGBICAHENZGLII-QJPTWQEYSA-N 2 3 223.364 0.785 20 0 BCADHP C[C@@]1(C[NH2+]CC2CC[NH2+]CC2)CCCNC1 ZINC000414902739 386332927 /nfs/dbraw/zinc/33/29/27/386332927.db2.gz HNPOJNLCOLVQHU-CYBMUJFWSA-N 2 3 225.380 0.965 20 0 BCADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCNC2)CC1 ZINC000415025471 386514280 /nfs/dbraw/zinc/51/42/80/386514280.db2.gz QCKYTCHBAWKRBT-SRVKXCTJSA-N 2 3 211.353 0.703 20 0 BCADHP C[C@@H]1CNCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335448345 386518117 /nfs/dbraw/zinc/51/81/17/386518117.db2.gz NFTMWWJIAKWHEW-PWSUYJOCSA-N 2 3 211.353 0.574 20 0 BCADHP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415056532 386536662 /nfs/dbraw/zinc/53/66/62/386536662.db2.gz QYPBQKUWGPTRCQ-YFKTTZPYSA-N 2 3 211.353 0.796 20 0 BCADHP C[NH2+]CCCN(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415129373 386635235 /nfs/dbraw/zinc/63/52/35/386635235.db2.gz UNTBKIHPARXERB-NEPJUHHUSA-N 2 3 213.369 0.916 20 0 BCADHP CNCCC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415129373 386635241 /nfs/dbraw/zinc/63/52/41/386635241.db2.gz UNTBKIHPARXERB-NEPJUHHUSA-N 2 3 213.369 0.916 20 0 BCADHP CNCCC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415129373 386635244 /nfs/dbraw/zinc/63/52/44/386635244.db2.gz UNTBKIHPARXERB-NEPJUHHUSA-N 2 3 213.369 0.916 20 0 BCADHP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCN2)CC[NH2+]1 ZINC000414821514 386677596 /nfs/dbraw/zinc/67/75/96/386677596.db2.gz CIECSPCQWSYGRK-WOPDTQHZSA-N 2 3 211.353 0.716 20 0 BCADHP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000647907743 386699102 /nfs/dbraw/zinc/69/91/02/386699102.db2.gz NYCYNNIHSJQHON-UMSGYPCISA-N 2 3 223.364 0.655 20 0 BCADHP CNC[C@@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000414830337 386706097 /nfs/dbraw/zinc/70/60/97/386706097.db2.gz AXCLFDHQJFUADX-VOMCLLRMSA-N 2 3 213.369 0.949 20 0 BCADHP C[C@]1(CNCC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000414837494 386734911 /nfs/dbraw/zinc/73/49/11/386734911.db2.gz KGAVLDYMIXNRPM-CHWSQXEVSA-N 2 3 225.380 0.965 20 0 BCADHP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1CN ZINC000334817919 386944717 /nfs/dbraw/zinc/94/47/17/386944717.db2.gz ADYRUYNGEQSTPX-WCQYABFASA-N 2 3 225.380 0.903 20 0 BCADHP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1CN ZINC000334817919 386944725 /nfs/dbraw/zinc/94/47/25/386944725.db2.gz ADYRUYNGEQSTPX-WCQYABFASA-N 2 3 225.380 0.903 20 0 BCADHP [NH3+][C@H]1CCCCC[C@H]1NCCN1CC[NH2+]CC1 ZINC000332398934 386977064 /nfs/dbraw/zinc/97/70/64/386977064.db2.gz ZIRTUEKBBQXYCQ-QWHCGFSZSA-N 2 3 240.395 0.141 20 0 BCADHP C[C@@H]1C[C@@H](C)N(CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000422636571 387610203 /nfs/dbraw/zinc/61/02/03/387610203.db2.gz NCZGCUWIHLBNOJ-IJLUTSLNSA-N 2 3 229.368 0.267 20 0 BCADHP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC000565658738 388960876 /nfs/dbraw/zinc/96/08/76/388960876.db2.gz QSIDNHFVPLMJLV-DGCLKSJQSA-N 2 3 225.380 0.964 20 0 BCADHP [NH3+]CCOCCN1CCCC[C@H]1CC[NH3+] ZINC000261564172 135205766 /nfs/dbraw/zinc/20/57/66/135205766.db2.gz CIPONYBJCYJONS-NSHDSACASA-N 2 3 215.341 0.165 20 0 BCADHP C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266328 409565576 /nfs/dbraw/zinc/56/55/76/409565576.db2.gz LZKVBSZIELGXRV-TUAOUCFPSA-N 2 3 239.363 0.177 20 0 BCADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748103 410388261 /nfs/dbraw/zinc/38/82/61/410388261.db2.gz MZVXVJNVJCDSPJ-QWRGUYRKSA-N 2 3 211.353 0.832 20 0 BCADHP C[C@H]([NH2+]CCC1CC[NH2+]CC1)C1CNC1 ZINC000650761528 410410309 /nfs/dbraw/zinc/41/03/09/410410309.db2.gz BIKIBQTZVNRYPN-JTQLQIEISA-N 2 3 211.353 0.574 20 0 BCADHP CCO[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1CN ZINC000652356076 411215558 /nfs/dbraw/zinc/21/55/58/411215558.db2.gz RKFZXDLGNZEMEA-YNEHKIRRSA-N 2 3 241.379 0.282 20 0 BCADHP CCO[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1CN ZINC000652356076 411215561 /nfs/dbraw/zinc/21/55/61/411215561.db2.gz RKFZXDLGNZEMEA-YNEHKIRRSA-N 2 3 241.379 0.282 20 0 BCADHP CCO[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652356076 411215566 /nfs/dbraw/zinc/21/55/66/411215566.db2.gz RKFZXDLGNZEMEA-YNEHKIRRSA-N 2 3 241.379 0.282 20 0 BCADHP [NH3+]CCC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000652358745 411216314 /nfs/dbraw/zinc/21/63/14/411216314.db2.gz RSGPEJLPRHSUKD-LBPRGKRZSA-N 2 3 211.353 0.657 20 0 BCADHP C[NH2+]CC1CCN(C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663494277 411672750 /nfs/dbraw/zinc/67/27/50/411672750.db2.gz HNTQEFLZMALKFI-QWHCGFSZSA-N 2 3 223.364 0.527 20 0 BCADHP C(CNC[C@@]12C[C@@H]1C[NH2+]C2)C[C@@H]1CCC[NH2+]1 ZINC000663497438 411678363 /nfs/dbraw/zinc/67/83/63/411678363.db2.gz OLNTZNBXJQMMQX-JHJVBQTASA-N 2 3 223.364 0.718 20 0 BCADHP OCC1(NCC[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000662286838 412077645 /nfs/dbraw/zinc/07/76/45/412077645.db2.gz MWQWCRHFKUXNAB-GFCCVEGCSA-N 2 3 241.379 0.080 20 0 BCADHP C[C@@H](CCCC[NH3+])[NH2+]CC12CC(C1)CN2 ZINC000665279637 412222920 /nfs/dbraw/zinc/22/29/20/412222920.db2.gz ICNDLMYRDBJAPY-UNXYVOJBSA-N 2 3 211.353 0.846 20 0 BCADHP C[NH2+]C[C@@H](C)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000665295225 412243330 /nfs/dbraw/zinc/24/33/30/412243330.db2.gz ALBVPIUYSWQXBA-MNOVXSKESA-N 2 3 213.369 0.914 20 0 BCADHP [NH3+]CC1CC(NCC2([NH3+])CCCCC2)C1 ZINC000904353050 584869915 /nfs/dbraw/zinc/86/99/15/584869915.db2.gz GYFGNNHKBKGZLN-UHFFFAOYSA-N 2 3 211.353 0.975 20 0 BCADHP [NH3+]CCOCCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000566244390 326021618 /nfs/dbraw/zinc/02/16/18/326021618.db2.gz YCIOWYXUFCWCDF-TUAOUCFPSA-N 2 3 227.352 0.021 20 0 BCADHP [NH3+]CCOCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000566244388 326021691 /nfs/dbraw/zinc/02/16/91/326021691.db2.gz YCIOWYXUFCWCDF-SDDRHHMPSA-N 2 3 227.352 0.021 20 0 BCADHP C(N1CCC2(C1)CC[NH2+]CC2)[C@]12C[C@H]1C[NH2+]C2 ZINC000853246745 588728531 /nfs/dbraw/zinc/72/85/31/588728531.db2.gz RSNLOVOIQHIESG-GXTWGEPZSA-N 2 3 235.375 0.671 20 0 BCADHP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCCN1 ZINC000902481604 584623971 /nfs/dbraw/zinc/62/39/71/584623971.db2.gz FNIAIDMPHYVKDF-QWHCGFSZSA-N 2 3 243.395 0.862 20 0 BCADHP [NH3+][C@@H]1CC[C@H](CN2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000903464914 584767222 /nfs/dbraw/zinc/76/72/22/584767222.db2.gz ZOENCKIJKKNECR-UMSGYPCISA-N 2 3 223.364 0.927 20 0 BCADHP [NH3+][C@@H]1CC[C@H](CN2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000903464916 584767359 /nfs/dbraw/zinc/76/73/59/584767359.db2.gz ZOENCKIJKKNECR-WUHRBBMRSA-N 2 3 223.364 0.927 20 0 BCADHP C[C@@H](N)[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903447595 584770815 /nfs/dbraw/zinc/77/08/15/584770815.db2.gz YWPWNWWFZAZTGY-KKOKHZNYSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H](N)[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903447595 584770816 /nfs/dbraw/zinc/77/08/16/584770816.db2.gz YWPWNWWFZAZTGY-KKOKHZNYSA-N 2 3 211.353 0.783 20 0 BCADHP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000903472951 584775998 /nfs/dbraw/zinc/77/59/98/584775998.db2.gz XRWLLRGULDMLCR-QJPTWQEYSA-N 2 3 223.364 0.988 20 0 BCADHP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903978845 584833143 /nfs/dbraw/zinc/83/31/43/584833143.db2.gz YSPXDRVVNGFNFA-UPJWGTAASA-N 2 3 225.380 0.903 20 0 BCADHP CC[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000904302063 584861820 /nfs/dbraw/zinc/86/18/20/584861820.db2.gz UNQOULOQJNUJCH-YFKTTZPYSA-N 2 3 211.353 0.783 20 0 BCADHP CC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1N ZINC000904302063 584861821 /nfs/dbraw/zinc/86/18/21/584861821.db2.gz UNQOULOQJNUJCH-YFKTTZPYSA-N 2 3 211.353 0.783 20 0 BCADHP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1N ZINC000904302063 584861822 /nfs/dbraw/zinc/86/18/22/584861822.db2.gz UNQOULOQJNUJCH-YFKTTZPYSA-N 2 3 211.353 0.783 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000904350102 584869198 /nfs/dbraw/zinc/86/91/98/584869198.db2.gz IAAOXPDNYIXSIS-XQQFMLRXSA-N 2 3 223.364 0.799 20 0 BCADHP [NH3+]CCN1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000904353042 584869805 /nfs/dbraw/zinc/86/98/05/584869805.db2.gz GTWSBWRZBDWLOB-ZDUSSCGKSA-N 2 3 240.395 0.141 20 0 BCADHP N[C@H]1CCC[C@H]([NH2+]C2CCN(CC[NH3+])CC2)C1 ZINC000904356079 584871277 /nfs/dbraw/zinc/87/12/77/584871277.db2.gz SVGJLOOMPHHRKV-AAEUAGOBSA-N 2 3 240.395 0.269 20 0 BCADHP C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CN ZINC000904371331 584873460 /nfs/dbraw/zinc/87/34/60/584873460.db2.gz MSEMUFGYVAHBCE-NNYUYHANSA-N 2 3 211.353 0.640 20 0 BCADHP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CN ZINC000904371331 584873461 /nfs/dbraw/zinc/87/34/61/584873461.db2.gz MSEMUFGYVAHBCE-NNYUYHANSA-N 2 3 211.353 0.640 20 0 BCADHP C[C@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000904371331 584873462 /nfs/dbraw/zinc/87/34/62/584873462.db2.gz MSEMUFGYVAHBCE-NNYUYHANSA-N 2 3 211.353 0.640 20 0 BCADHP [NH3+]CCCOCCNCc1ccc(C[NH3+])cc1 ZINC000904381201 584876661 /nfs/dbraw/zinc/87/66/61/584876661.db2.gz LIPOUGCWXPDKMS-UHFFFAOYSA-N 2 3 237.347 0.600 20 0 BCADHP C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904383573 584877110 /nfs/dbraw/zinc/87/71/10/584877110.db2.gz CBGHTIHZCLCBFH-NNYUYHANSA-N 2 3 209.337 0.265 20 0 BCADHP CCC1([NH3+])CCN(C2CC(C[NH3+])C2)CC1 ZINC000904385774 584878067 /nfs/dbraw/zinc/87/80/67/584878067.db2.gz FDEXJRGOFVHTNH-UHFFFAOYSA-N 2 3 211.353 0.927 20 0 BCADHP CCO[C@@H]1CN(CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000846225453 588261630 /nfs/dbraw/zinc/26/16/30/588261630.db2.gz BQZWSQOXXOYQPD-CHWSQXEVSA-N 2 3 243.395 0.801 20 0 BCADHP C[C@]12C[NH2+]C[C@H]1CN(CCC1CC[NH2+]CC1)C2 ZINC000872154142 589886423 /nfs/dbraw/zinc/88/64/23/589886423.db2.gz OTVSLWQKAXMEAS-UONOGXRCSA-N 2 3 237.391 0.917 20 0 BCADHP C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000873248687 590007549 /nfs/dbraw/zinc/00/75/49/590007549.db2.gz DOJLAMDPNRNJCK-WISYIIOYSA-N 2 3 211.353 0.844 20 0 BCADHP C[C@H]1CCNCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250891 590008573 /nfs/dbraw/zinc/00/85/73/590008573.db2.gz RJMRALJIXPPOII-NNYUYHANSA-N 2 3 211.353 0.701 20 0 BCADHP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000873255972 590010844 /nfs/dbraw/zinc/01/08/44/590010844.db2.gz KGLJNMWLYHXWJE-ZDEQEGDKSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000873255972 590010847 /nfs/dbraw/zinc/01/08/47/590010847.db2.gz KGLJNMWLYHXWJE-ZDEQEGDKSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000873255972 590010849 /nfs/dbraw/zinc/01/08/49/590010849.db2.gz KGLJNMWLYHXWJE-ZDEQEGDKSA-N 2 3 223.364 0.940 20 0 BCADHP C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256949 590011608 /nfs/dbraw/zinc/01/16/08/590011608.db2.gz RJMRALJIXPPOII-KKOKHZNYSA-N 2 3 211.353 0.701 20 0 BCADHP C[C@H]1CCNCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256948 590011894 /nfs/dbraw/zinc/01/18/94/590011894.db2.gz RJMRALJIXPPOII-FIQHERPVSA-N 2 3 211.353 0.701 20 0 BCADHP [NH3+][C@@H]1C[C@H](N[C@H]2CC23CC[NH2+]CC3)C12CCC2 ZINC000925709732 634406515 /nfs/dbraw/zinc/40/65/15/634406515.db2.gz QCZXZNQTYCGKIS-WOPDTQHZSA-N 2 3 235.375 0.988 20 0 BCADHP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC23CC[NH2+]CC3)C12CCC2 ZINC000925709728 634407016 /nfs/dbraw/zinc/40/70/16/634407016.db2.gz QCZXZNQTYCGKIS-IJLUTSLNSA-N 2 3 235.375 0.988 20 0 BCADHP C[NH+]1CCC(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000328568832 633778200 /nfs/dbraw/zinc/77/82/00/633778200.db2.gz PUASLRMYKKLRDM-BTFPBAQTSA-N 2 3 249.402 0.914 20 0 BCADHP N[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000906519300 638187078 /nfs/dbraw/zinc/18/70/78/638187078.db2.gz XVSPKPSUHZJDHM-IYKVGLELSA-N 2 3 209.337 0.454 20 0 BCADHP [NH3+]CCCN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453027 644441963 /nfs/dbraw/zinc/44/19/63/644441963.db2.gz YGSGETQQEJYQBE-NSHDSACASA-N 2 3 227.352 0.165 20 0 BCADHP [NH3+]C[C@H]1CC[C@H](CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925699024 646423817 /nfs/dbraw/zinc/42/38/17/646423817.db2.gz IJAXWSVFHZMPPS-JHJVBQTASA-N 2 3 241.379 0.330 20 0 BCADHP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000925709690 646434567 /nfs/dbraw/zinc/43/45/67/646434567.db2.gz PSSQIRDJGJWCPP-UTUOFQBUSA-N 2 3 223.364 0.988 20 0 BCADHP C[C@H]1NCCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816873 646491385 /nfs/dbraw/zinc/49/13/85/646491385.db2.gz KKTKGEPXFCFNQF-YPMHNXCESA-N 2 3 240.395 0.140 20 0 BCADHP C[C@@H]1NCCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816872 646492635 /nfs/dbraw/zinc/49/26/35/646492635.db2.gz KKTKGEPXFCFNQF-WCQYABFASA-N 2 3 240.395 0.140 20 0 BCADHP [NH3+][C@@H]1CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925879974 646529155 /nfs/dbraw/zinc/52/91/55/646529155.db2.gz NLDFQWBUFDSZHB-BUWWMVEJSA-N 2 3 235.375 0.700 20 0 BCADHP C([C@@H]1CC[NH2+]C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647986635 398228521 /nfs/dbraw/zinc/22/85/21/398228521.db2.gz WJMKPSKUQBKSMF-MCIONIFRSA-N 2 3 237.391 0.917 20 0 BCADHP COC[C@@H](CCC[NH3+])NCC[C@H](C)[NH3+] ZINC000622044460 344228392 /nfs/dbraw/zinc/22/83/92/344228392.db2.gz GMGLDLHOYGFKJM-VHSXEESVSA-N 2 3 203.330 0.067 20 0 BCADHP C[C@H]1C[C@H]([NH3+])CCN1CC1CC[NH2+]CC1 ZINC000309464902 347069532 /nfs/dbraw/zinc/06/95/32/347069532.db2.gz PTDCCCMWGCWDMM-CMPLNLGQSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@H]1C[C@H](N)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000309464902 347069534 /nfs/dbraw/zinc/06/95/34/347069534.db2.gz PTDCCCMWGCWDMM-CMPLNLGQSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@H]1C[C@H](N)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000309464902 347069537 /nfs/dbraw/zinc/06/95/37/347069537.db2.gz PTDCCCMWGCWDMM-CMPLNLGQSA-N 2 3 211.353 0.798 20 0 BCADHP CC(C)[C@H](CN)C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000634995059 345183824 /nfs/dbraw/zinc/18/38/24/345183824.db2.gz TXPVZFDZEUKJGB-NWDGAFQWSA-N 2 3 213.369 0.807 20 0 BCADHP [NH3+]C[C@@H]1CC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000634995979 345186115 /nfs/dbraw/zinc/18/61/15/345186115.db2.gz VJYWNDZBVHZBMN-ZYGVAYEYSA-N 2 3 209.337 0.455 20 0 BCADHP [NH3+]C[C@@H]1CC[C@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000634995979 345186117 /nfs/dbraw/zinc/18/61/17/345186117.db2.gz VJYWNDZBVHZBMN-ZYGVAYEYSA-N 2 3 209.337 0.455 20 0 BCADHP [NH3+][C@@H]1CCC[C@H](NCC2=CC[NH2+]CC2)C1 ZINC000580212463 346686093 /nfs/dbraw/zinc/68/60/93/346686093.db2.gz MNWCSQGITQEYJX-NEPJUHHUSA-N 2 3 209.337 0.766 20 0 BCADHP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CC[NH2+]CC1 ZINC000336538216 188032631 /nfs/dbraw/zinc/03/26/31/188032631.db2.gz PXMIKUDERNDWND-BETUJISGSA-N 2 3 223.364 0.527 20 0 BCADHP C[NH2+]CCCN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337362 192214677 /nfs/dbraw/zinc/21/46/77/192214677.db2.gz WUAOEDCKQNFIIO-OLZOCXBDSA-N 2 3 225.380 0.917 20 0 BCADHP CNCCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337362 192214680 /nfs/dbraw/zinc/21/46/80/192214680.db2.gz WUAOEDCKQNFIIO-OLZOCXBDSA-N 2 3 225.380 0.917 20 0 BCADHP CNCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337362 192214681 /nfs/dbraw/zinc/21/46/81/192214681.db2.gz WUAOEDCKQNFIIO-OLZOCXBDSA-N 2 3 225.380 0.917 20 0 BCADHP C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1CN ZINC000420415821 192241270 /nfs/dbraw/zinc/24/12/70/192241270.db2.gz VIKCKHBHBULERH-JHJVBQTASA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1CN ZINC000420415821 192241273 /nfs/dbraw/zinc/24/12/73/192241273.db2.gz VIKCKHBHBULERH-JHJVBQTASA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000420415821 192241275 /nfs/dbraw/zinc/24/12/75/192241275.db2.gz VIKCKHBHBULERH-JHJVBQTASA-N 2 3 225.380 0.903 20 0 BCADHP CC[N@@H+]1CC[C@H](NCCOCC[NH2+]C)[C@@H](C)C1 ZINC000629528920 361138291 /nfs/dbraw/zinc/13/82/91/361138291.db2.gz MYTDZTBYENLHDG-STQMWFEESA-N 2 3 243.395 0.542 20 0 BCADHP CC[N@H+]1CC[C@H](NCCOCC[NH2+]C)[C@@H](C)C1 ZINC000629528920 361138295 /nfs/dbraw/zinc/13/82/95/361138295.db2.gz MYTDZTBYENLHDG-STQMWFEESA-N 2 3 243.395 0.542 20 0 BCADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCCOCCC[NH3+] ZINC000629539437 361406664 /nfs/dbraw/zinc/40/66/64/361406664.db2.gz RFZLJSOFTUPEQV-NEPJUHHUSA-N 2 3 229.368 0.330 20 0 BCADHP C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629544094 361412795 /nfs/dbraw/zinc/41/27/95/361412795.db2.gz FANNLEBYRSIRGW-KIJLLGNVSA-N 2 3 223.364 0.715 20 0 BCADHP C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629544095 361422049 /nfs/dbraw/zinc/42/20/49/361422049.db2.gz FANNLEBYRSIRGW-OBPIAQAESA-N 2 3 223.364 0.715 20 0 BCADHP C[C@@H]1C[C@@H](NCCOCCC[NH3+])CC[N@@H+]1C ZINC000629542475 361418942 /nfs/dbraw/zinc/41/89/42/361418942.db2.gz YVXWCXNAJSNMAT-NEPJUHHUSA-N 2 3 229.368 0.424 20 0 BCADHP C[C@@H]1C[C@@H](NCCOCCC[NH3+])CC[N@H+]1C ZINC000629542475 361418946 /nfs/dbraw/zinc/41/89/46/361418946.db2.gz YVXWCXNAJSNMAT-NEPJUHHUSA-N 2 3 229.368 0.424 20 0 BCADHP C[C@H]1C[C@H](NCCOCCC[NH3+])CC[N@@H+]1C ZINC000629542476 361419165 /nfs/dbraw/zinc/41/91/65/361419165.db2.gz YVXWCXNAJSNMAT-NWDGAFQWSA-N 2 3 229.368 0.424 20 0 BCADHP C[C@H]1C[C@H](NCCOCCC[NH3+])CC[N@H+]1C ZINC000629542476 361419169 /nfs/dbraw/zinc/41/91/69/361419169.db2.gz YVXWCXNAJSNMAT-NWDGAFQWSA-N 2 3 229.368 0.424 20 0 BCADHP C[C@@H](C[C@@H]1CCC[NH2+]1)NCCOCCC[NH3+] ZINC000629677875 361600864 /nfs/dbraw/zinc/60/08/64/361600864.db2.gz IKJDCLRDKKVMNP-RYUDHWBXSA-N 2 3 229.368 0.472 20 0 BCADHP [NH3+]C1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000309589175 181343637 /nfs/dbraw/zinc/34/36/37/181343637.db2.gz XZDFFEBTPUQSRX-UHFFFAOYSA-N 2 3 211.353 0.799 20 0 BCADHP N[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000574219095 365013191 /nfs/dbraw/zinc/01/31/91/365013191.db2.gz NFCODETUVVFJGK-UTUOFQBUSA-N 2 3 211.353 0.846 20 0 BCADHP OCCNC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000631862824 372665289 /nfs/dbraw/zinc/66/52/89/372665289.db2.gz OHHWUPLWZNIUOX-GFCCVEGCSA-N 2 3 241.379 0.032 20 0 BCADHP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000631867671 372669676 /nfs/dbraw/zinc/66/96/76/372669676.db2.gz YQZGNRZUZMEVLO-XQQFMLRXSA-N 2 3 223.364 0.718 20 0 BCADHP C[C@@H]1C[NH2+]C[C@@H](NCC[C@@H]2CC[NH2+]C2)C1 ZINC000647546641 384733511 /nfs/dbraw/zinc/73/35/11/384733511.db2.gz TUJVLDPSDZZTQA-SRVKXCTJSA-N 2 3 211.353 0.574 20 0 BCADHP C[C@H](CCN)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546908 384733621 /nfs/dbraw/zinc/73/36/21/384733621.db2.gz GZTDDHPGCWPBMJ-DDHJBXDOSA-N 2 3 211.353 0.701 20 0 BCADHP CC(C)([NH3+])CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647547163 384737211 /nfs/dbraw/zinc/73/72/11/384737211.db2.gz PMEBJKVVWZXUQM-WDEREUQCSA-N 2 3 211.353 0.701 20 0 BCADHP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CNC1 ZINC000647799294 385799474 /nfs/dbraw/zinc/79/94/74/385799474.db2.gz CYGOZOHEAYZHMG-GRYCIOLGSA-N 2 3 209.337 0.184 20 0 BCADHP [NH3+]CC1(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000414662524 386099807 /nfs/dbraw/zinc/09/98/07/386099807.db2.gz AGBICAHENZGLII-SRVKXCTJSA-N 2 3 223.364 0.785 20 0 BCADHP C[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1[NH3+] ZINC000414760227 386412729 /nfs/dbraw/zinc/41/27/29/386412729.db2.gz GUUMQBUJJWONIS-DDHJBXDOSA-N 2 3 211.353 0.654 20 0 BCADHP C[C@@H]1C[C@@H](CN)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000647905023 386584196 /nfs/dbraw/zinc/58/41/96/386584196.db2.gz LLTMALKATFMWDJ-UTUOFQBUSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@@H](CN)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000647905023 386584202 /nfs/dbraw/zinc/58/42/02/386584202.db2.gz LLTMALKATFMWDJ-UTUOFQBUSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@@H](C[NH3+])CN1CC[C@H]1CC[NH2+]C1 ZINC000647905023 386584207 /nfs/dbraw/zinc/58/42/07/386584207.db2.gz LLTMALKATFMWDJ-UTUOFQBUSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@]1(CNCC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000414837498 386736027 /nfs/dbraw/zinc/73/60/27/386736027.db2.gz KGAVLDYMIXNRPM-QWHCGFSZSA-N 2 3 225.380 0.965 20 0 BCADHP C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000414842041 386748926 /nfs/dbraw/zinc/74/89/26/386748926.db2.gz OSSLPOQBMOSACT-RYUDHWBXSA-N 2 3 211.353 0.718 20 0 BCADHP CNC[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309547995 388367425 /nfs/dbraw/zinc/36/74/25/388367425.db2.gz CNEMKGABMCXDNI-GFCCVEGCSA-N 2 3 211.353 0.527 20 0 BCADHP CNC[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309547995 388367426 /nfs/dbraw/zinc/36/74/26/388367426.db2.gz CNEMKGABMCXDNI-GFCCVEGCSA-N 2 3 211.353 0.527 20 0 BCADHP NC[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000336268342 388456067 /nfs/dbraw/zinc/45/60/67/388456067.db2.gz XMGSIBNCRHBOED-GFCCVEGCSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000336268342 388456070 /nfs/dbraw/zinc/45/60/70/388456070.db2.gz XMGSIBNCRHBOED-GFCCVEGCSA-N 2 3 211.353 0.657 20 0 BCADHP [NH3+]C[C@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000336268342 388456072 /nfs/dbraw/zinc/45/60/72/388456072.db2.gz XMGSIBNCRHBOED-GFCCVEGCSA-N 2 3 211.353 0.657 20 0 BCADHP [NH3+]CCCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243671 388639156 /nfs/dbraw/zinc/63/91/56/388639156.db2.gz YREKAOXADWTEJH-ZDUSSCGKSA-N 2 3 241.379 0.426 20 0 BCADHP N[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000261579185 135220011 /nfs/dbraw/zinc/22/00/11/135220011.db2.gz MEIMACNNJLUJSD-LBPRGKRZSA-N 2 3 211.353 0.799 20 0 BCADHP N[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000261579185 135220013 /nfs/dbraw/zinc/22/00/13/135220013.db2.gz MEIMACNNJLUJSD-LBPRGKRZSA-N 2 3 211.353 0.799 20 0 BCADHP C[NH2+]C[C@H](C)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000663512628 410282361 /nfs/dbraw/zinc/28/23/61/410282361.db2.gz GVQQRLYRZZIEJZ-NNYUYHANSA-N 2 3 211.353 0.572 20 0 BCADHP C[C@H]1C[NH2+]C[C@H](NCCC2(C[NH3+])CC2)C1 ZINC000650714244 410348642 /nfs/dbraw/zinc/34/86/42/410348642.db2.gz WZCIIPOMJCKCDX-GHMZBOCLSA-N 2 3 211.353 0.703 20 0 BCADHP C(CC1CC[NH2+]CC1)[NH2+]C1CCNCC1 ZINC000650762241 410412682 /nfs/dbraw/zinc/41/26/82/410412682.db2.gz XSLBXBUDMSDBRZ-UHFFFAOYSA-N 2 3 211.353 0.718 20 0 BCADHP [NH3+]CCC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000652358744 411216194 /nfs/dbraw/zinc/21/61/94/411216194.db2.gz RSGPEJLPRHSUKD-GFCCVEGCSA-N 2 3 211.353 0.657 20 0 BCADHP [NH3+]CC1(CCNC[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663496510 411669162 /nfs/dbraw/zinc/66/91/62/411669162.db2.gz HGOFBZJHFQMQSW-ZYHUDNBSSA-N 2 3 209.337 0.315 20 0 BCADHP [NH3+]CC[C@@H]1CCCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663492681 411671546 /nfs/dbraw/zinc/67/15/46/411671546.db2.gz AZNMAYDATAOPPR-RWMBFGLXSA-N 2 3 223.364 0.657 20 0 BCADHP [NH3+]CC12CC(C1)CN2CC1CC[NH2+]CC1 ZINC000662304380 412089258 /nfs/dbraw/zinc/08/92/58/412089258.db2.gz PZDZERMMFLWVRH-UHFFFAOYSA-N 2 3 209.337 0.409 20 0 BCADHP COC[C@H](CCC[NH3+])[NH2+]CC1(N)CCCC1 ZINC000665247249 412193689 /nfs/dbraw/zinc/19/36/89/412193689.db2.gz YLSCKTPUZYNDJY-NSHDSACASA-N 2 3 229.368 0.601 20 0 BCADHP COC[C@H](CCC[NH3+])NCC1([NH3+])CCCC1 ZINC000665247249 412193692 /nfs/dbraw/zinc/19/36/92/412193692.db2.gz YLSCKTPUZYNDJY-NSHDSACASA-N 2 3 229.368 0.601 20 0 BCADHP C[C@H](CCCC[NH3+])[NH2+]CC12CC(C1)CN2 ZINC000665279638 412223621 /nfs/dbraw/zinc/22/36/21/412223621.db2.gz ICNDLMYRDBJAPY-VOMCLLRMSA-N 2 3 211.353 0.846 20 0 BCADHP C[C@H]1CN(CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000309771423 177245973 /nfs/dbraw/zinc/24/59/73/177245973.db2.gz KNVPLRFXWKCQTQ-CMPLNLGQSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1N ZINC000309771423 177245975 /nfs/dbraw/zinc/24/59/75/177245975.db2.gz KNVPLRFXWKCQTQ-CMPLNLGQSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1N ZINC000309771423 177245977 /nfs/dbraw/zinc/24/59/77/177245977.db2.gz KNVPLRFXWKCQTQ-CMPLNLGQSA-N 2 3 211.353 0.655 20 0 BCADHP [NH3+]C[C@@H]1CC[C@H](NC[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663498837 488047492 /nfs/dbraw/zinc/04/74/92/488047492.db2.gz UGTVLFZRMDHCMJ-WYUUTHIRSA-N 2 3 209.337 0.313 20 0 BCADHP CC1(C)CNC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000902447254 584604852 /nfs/dbraw/zinc/60/48/52/584604852.db2.gz XOMKJMYJSBTVEL-RVMXOQNASA-N 2 3 237.391 0.962 20 0 BCADHP NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487101 584625869 /nfs/dbraw/zinc/62/58/69/584625869.db2.gz IMIDJEYKZILYMQ-FIQHERPVSA-N 2 3 211.353 0.831 20 0 BCADHP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](C[NH3+])C1)[NH2+]2 ZINC000902487536 584626042 /nfs/dbraw/zinc/62/60/42/584626042.db2.gz JRMBEVVDXBYPRZ-LYUGOTMTSA-N 2 3 223.364 0.842 20 0 BCADHP CNC[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903422427 584764726 /nfs/dbraw/zinc/76/47/26/584764726.db2.gz CHKWVWFQZYQSDP-UTUOFQBUSA-N 2 3 211.353 0.655 20 0 BCADHP CNC[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903422427 584764728 /nfs/dbraw/zinc/76/47/28/584764728.db2.gz CHKWVWFQZYQSDP-UTUOFQBUSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460844 584766669 /nfs/dbraw/zinc/76/66/69/584766669.db2.gz JTOPBZDNRNYUEG-WYUUTHIRSA-N 2 3 211.353 0.925 20 0 BCADHP C[C@@H]1C[C@@H](N)CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460844 584766671 /nfs/dbraw/zinc/76/66/71/584766671.db2.gz JTOPBZDNRNYUEG-WYUUTHIRSA-N 2 3 211.353 0.925 20 0 BCADHP C[C@@H]1C[C@@H](N)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460844 584766673 /nfs/dbraw/zinc/76/66/73/584766673.db2.gz JTOPBZDNRNYUEG-WYUUTHIRSA-N 2 3 211.353 0.925 20 0 BCADHP C[C@@H](N)[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903447597 584770732 /nfs/dbraw/zinc/77/07/32/584770732.db2.gz YWPWNWWFZAZTGY-WYUUTHIRSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H](N)[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903447597 584770733 /nfs/dbraw/zinc/77/07/33/584770733.db2.gz YWPWNWWFZAZTGY-WYUUTHIRSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](CC[NH3+])C1 ZINC000903449857 584771186 /nfs/dbraw/zinc/77/11/86/584771186.db2.gz IWVNRENEQWVBSP-AGIUHOORSA-N 2 3 225.380 0.903 20 0 BCADHP N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC[NH2+]CC1)C2 ZINC000903843365 584807692 /nfs/dbraw/zinc/80/76/92/584807692.db2.gz JKWOURWODYQSKZ-XQQFMLRXSA-N 2 3 223.364 0.798 20 0 BCADHP N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000903843365 584807693 /nfs/dbraw/zinc/80/76/93/584807693.db2.gz JKWOURWODYQSKZ-XQQFMLRXSA-N 2 3 223.364 0.798 20 0 BCADHP CC[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000904302061 584861871 /nfs/dbraw/zinc/86/18/71/584861871.db2.gz UNQOULOQJNUJCH-WISYIIOYSA-N 2 3 211.353 0.783 20 0 BCADHP CC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1N ZINC000904302061 584861873 /nfs/dbraw/zinc/86/18/73/584861873.db2.gz UNQOULOQJNUJCH-WISYIIOYSA-N 2 3 211.353 0.783 20 0 BCADHP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1N ZINC000904302061 584861875 /nfs/dbraw/zinc/86/18/75/584861875.db2.gz UNQOULOQJNUJCH-WISYIIOYSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H](N)C[C@@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904374769 584874013 /nfs/dbraw/zinc/87/40/13/584874013.db2.gz WPZKZEXCGLVMJF-GHMZBOCLSA-N 2 3 228.384 0.125 20 0 BCADHP COCC[NH2+]C1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904374157 584874131 /nfs/dbraw/zinc/87/41/31/584874131.db2.gz NYSWOOHRMUQTPK-TXEJJXNPSA-N 2 3 241.379 0.424 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[NH2+][C@]23CCC[C@H]2NCC3)C1 ZINC000904384693 584877223 /nfs/dbraw/zinc/87/72/23/584877223.db2.gz MEBUZRGPAKAOEN-KXNHARMFSA-N 2 3 209.337 0.598 20 0 BCADHP [NH3+]CC[C@@H]1CCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000904407594 584878938 /nfs/dbraw/zinc/87/89/38/584878938.db2.gz XDEZAWGLLQZOLC-GRYCIOLGSA-N 2 3 209.337 0.267 20 0 BCADHP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3CCNC[C@@H]3C2)CC[NH2+]1 ZINC000904420503 584881981 /nfs/dbraw/zinc/88/19/81/584881981.db2.gz QVLCJRVHZZFPTH-RFQIPJPRSA-N 2 3 237.391 0.916 20 0 BCADHP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3CCNC[C@@H]3C2)CC[NH2+]1 ZINC000904420503 584881982 /nfs/dbraw/zinc/88/19/82/584881982.db2.gz QVLCJRVHZZFPTH-RFQIPJPRSA-N 2 3 237.391 0.916 20 0 BCADHP C[C@]12C[NH2+]C[C@H]1CN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC000872154150 589885776 /nfs/dbraw/zinc/88/57/76/589885776.db2.gz PDFICPXOGYVCRX-MELADBBJSA-N 2 3 237.391 0.917 20 0 BCADHP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000873255971 590011109 /nfs/dbraw/zinc/01/11/09/590011109.db2.gz KGLJNMWLYHXWJE-LPWJVIDDSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000873255971 590011112 /nfs/dbraw/zinc/01/11/12/590011112.db2.gz KGLJNMWLYHXWJE-LPWJVIDDSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000873255971 590011115 /nfs/dbraw/zinc/01/11/15/590011115.db2.gz KGLJNMWLYHXWJE-LPWJVIDDSA-N 2 3 223.364 0.940 20 0 BCADHP C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256947 590011706 /nfs/dbraw/zinc/01/17/06/590011706.db2.gz RJMRALJIXPPOII-DDHJBXDOSA-N 2 3 211.353 0.701 20 0 BCADHP CC[C@@H](NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000873257764 590012042 /nfs/dbraw/zinc/01/20/42/590012042.db2.gz XBTBGHSHSSDCID-KKOKHZNYSA-N 2 3 211.353 0.844 20 0 BCADHP CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCN1 ZINC000873257764 590012044 /nfs/dbraw/zinc/01/20/44/590012044.db2.gz XBTBGHSHSSDCID-KKOKHZNYSA-N 2 3 211.353 0.844 20 0 BCADHP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)C1CNC1 ZINC000873269038 590015461 /nfs/dbraw/zinc/01/54/61/590015461.db2.gz CEWNCIHQMXRUKR-NXEZZACHSA-N 2 3 211.353 0.572 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925726705 634523477 /nfs/dbraw/zinc/52/34/77/634523477.db2.gz KCXLXWKAKQRDRB-NTZHIAQWSA-N 2 3 221.348 0.310 20 0 BCADHP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC[NH2+]CC1 ZINC000925687717 634303782 /nfs/dbraw/zinc/30/37/82/634303782.db2.gz AFJQWHZAEOBSSB-YHQUGGNUSA-N 2 3 235.375 0.572 20 0 BCADHP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC[NH2+]CC1 ZINC000925687715 634304333 /nfs/dbraw/zinc/30/43/33/634304333.db2.gz AFJQWHZAEOBSSB-QSLWVIQJSA-N 2 3 235.375 0.572 20 0 BCADHP [NH3+]CCCCCC[NH+]1CCNCCNCC1 ZINC000923459224 644440550 /nfs/dbraw/zinc/44/05/50/644440550.db2.gz FGDLDKDFVCLWPD-UHFFFAOYSA-N 2 3 228.384 0.000 20 0 BCADHP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000925709691 646434990 /nfs/dbraw/zinc/43/49/90/646434990.db2.gz PSSQIRDJGJWCPP-WOPDTQHZSA-N 2 3 223.364 0.988 20 0 BCADHP COC[C@H](CCC[NH3+])NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925783010 646479398 /nfs/dbraw/zinc/47/93/98/646479398.db2.gz APLLTWWRXFQZMD-WOPDTQHZSA-N 2 3 229.368 0.185 20 0 BCADHP NC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000381567798 710657305 /nfs/dbraw/zinc/65/73/05/710657305.db2.gz UFFAKPYZXHGIFC-WOPDTQHZSA-N 2 3 211.353 0.785 20 0 BCADHP NC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000381567798 710657307 /nfs/dbraw/zinc/65/73/07/710657307.db2.gz UFFAKPYZXHGIFC-WOPDTQHZSA-N 2 3 211.353 0.785 20 0 BCADHP CC(C)[C@H](CN)C[NH2+][C@@H](C)CCC[NH3+] ZINC000634995385 345184536 /nfs/dbraw/zinc/18/45/36/345184536.db2.gz CFUDIZNZAHUSBL-WDEREUQCSA-N 2 3 201.358 0.934 20 0 BCADHP CC(C)[C@H](C[NH3+])CNCCOCCC[NH3+] ZINC000634997911 345202953 /nfs/dbraw/zinc/20/29/53/345202953.db2.gz WCEGSDRAEMGSCG-LLVKDONJSA-N 2 3 217.357 0.172 20 0 BCADHP CC(C)[C@H](CN)C[NH2+]CCOCCC[NH3+] ZINC000634997911 345202955 /nfs/dbraw/zinc/20/29/55/345202955.db2.gz WCEGSDRAEMGSCG-LLVKDONJSA-N 2 3 217.357 0.172 20 0 BCADHP C(C[C@@H]1CCC[NH2+]C1)[NH2+]C[C@H]1CCCNC1 ZINC000580715339 346663303 /nfs/dbraw/zinc/66/33/03/346663303.db2.gz YFOOLTZGXQSPOZ-STQMWFEESA-N 2 3 225.380 0.965 20 0 BCADHP CC[NH2+][C@H](C)CNC[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952073 352371896 /nfs/dbraw/zinc/37/18/96/352371896.db2.gz HZSREWBUWFWHEI-IJLUTSLNSA-N 2 3 213.369 0.962 20 0 BCADHP C(C1CC[NH2+]CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309906079 188346900 /nfs/dbraw/zinc/34/69/00/188346900.db2.gz KGZNOWLYRSPSGH-TXEJJXNPSA-N 2 3 209.337 0.137 20 0 BCADHP N[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334588778 354216204 /nfs/dbraw/zinc/21/62/04/354216204.db2.gz XKCRJJJICXLCLX-NWDGAFQWSA-N 2 3 211.353 0.799 20 0 BCADHP N[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334588778 354216206 /nfs/dbraw/zinc/21/62/06/354216206.db2.gz XKCRJJJICXLCLX-NWDGAFQWSA-N 2 3 211.353 0.799 20 0 BCADHP CN(CCC1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000420331875 192214072 /nfs/dbraw/zinc/21/40/72/192214072.db2.gz MQGCAIYSLGZLFA-UHFFFAOYSA-N 2 3 211.353 0.798 20 0 BCADHP C[N@H+](CCC1CC[NH2+]CC1)C1CC(N)C1 ZINC000420331875 192214074 /nfs/dbraw/zinc/21/40/74/192214074.db2.gz MQGCAIYSLGZLFA-UHFFFAOYSA-N 2 3 211.353 0.798 20 0 BCADHP C[N@@H+](CCC1CC[NH2+]CC1)C1CC(N)C1 ZINC000420331875 192214076 /nfs/dbraw/zinc/21/40/76/192214076.db2.gz MQGCAIYSLGZLFA-UHFFFAOYSA-N 2 3 211.353 0.798 20 0 BCADHP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000629531811 361150487 /nfs/dbraw/zinc/15/04/87/361150487.db2.gz YWRVLSHXLWZZML-NWDGAFQWSA-N 2 3 229.368 0.330 20 0 BCADHP C[NH2+]CCOCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000629531811 361150489 /nfs/dbraw/zinc/15/04/89/361150489.db2.gz YWRVLSHXLWZZML-NWDGAFQWSA-N 2 3 229.368 0.330 20 0 BCADHP C[C@@H]([NH2+]CCOCCC[NH3+])[C@H]1CCCCN1 ZINC000629536270 361398631 /nfs/dbraw/zinc/39/86/31/361398631.db2.gz FTYLBYBJFSKZPF-VXGBXAGGSA-N 2 3 229.368 0.472 20 0 BCADHP C[C@@H]1C[C@H](NCCOCCC[NH3+])CC[N@@H+]1C ZINC000629542478 361419784 /nfs/dbraw/zinc/41/97/84/361419784.db2.gz YVXWCXNAJSNMAT-VXGBXAGGSA-N 2 3 229.368 0.424 20 0 BCADHP C[C@@H]1C[C@H](NCCOCCC[NH3+])CC[N@H+]1C ZINC000629542478 361419789 /nfs/dbraw/zinc/41/97/89/361419789.db2.gz YVXWCXNAJSNMAT-VXGBXAGGSA-N 2 3 229.368 0.424 20 0 BCADHP C[NH2+]C[C@@](C)(O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000573379508 364816625 /nfs/dbraw/zinc/81/66/25/364816625.db2.gz KGSIPURPXXJCDZ-ZYHUDNBSSA-N 2 3 229.368 0.016 20 0 BCADHP CNC[C@@](C)(O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000573379508 364816628 /nfs/dbraw/zinc/81/66/28/364816628.db2.gz KGSIPURPXXJCDZ-ZYHUDNBSSA-N 2 3 229.368 0.016 20 0 BCADHP CC[NH2+]CC1CC[NH+](C[C@@](C)(O)CNC)CC1 ZINC000574091458 364981379 /nfs/dbraw/zinc/98/13/79/364981379.db2.gz GKHMUXIKKXXGFD-ZDUSSCGKSA-N 2 3 243.395 0.278 20 0 BCADHP C[C@@]1(CNCC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000575123283 365212733 /nfs/dbraw/zinc/21/27/33/365212733.db2.gz ARFRSKOKRKELFU-NEPJUHHUSA-N 2 3 211.353 0.575 20 0 BCADHP CNC[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000581309960 367337753 /nfs/dbraw/zinc/33/77/53/367337753.db2.gz AIDILBIFBIOVTJ-AGIUHOORSA-N 2 3 225.380 0.916 20 0 BCADHP CNC[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000581309960 367337757 /nfs/dbraw/zinc/33/77/57/367337757.db2.gz AIDILBIFBIOVTJ-AGIUHOORSA-N 2 3 225.380 0.916 20 0 BCADHP N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000581954426 368021070 /nfs/dbraw/zinc/02/10/70/368021070.db2.gz WZSQQXICQHRIOT-WYUUTHIRSA-N 2 3 211.353 0.973 20 0 BCADHP C1[NH2+]C[C@@H]2C[C@H]([NH2+]C3CCNCC3)CC[C@@H]12 ZINC000647546402 384730410 /nfs/dbraw/zinc/73/04/10/384730410.db2.gz IUAYSMIJXGCGLM-GMXVVIOVSA-N 2 3 223.364 0.716 20 0 BCADHP CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546797 384734801 /nfs/dbraw/zinc/73/48/01/384734801.db2.gz BTIAGDVDDZHGRM-FVCCEPFGSA-N 2 3 225.380 0.962 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000647548076 384750397 /nfs/dbraw/zinc/75/03/97/384750397.db2.gz USRXDWRQKSGOIO-FIQHERPVSA-N 2 3 211.353 0.701 20 0 BCADHP CCNCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647799981 385802251 /nfs/dbraw/zinc/80/22/51/385802251.db2.gz VWWORJNWFXPBMW-JHJVBQTASA-N 2 3 225.380 0.964 20 0 BCADHP CC[NH2+][C@H](C)CNC[C@H]1CC[NH2+][C@H](C)C1 ZINC000414952079 385824656 /nfs/dbraw/zinc/82/46/56/385824656.db2.gz HZSREWBUWFWHEI-UTUOFQBUSA-N 2 3 213.369 0.962 20 0 BCADHP C[C@H]([NH3+])CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335275724 386336525 /nfs/dbraw/zinc/33/65/25/386336525.db2.gz CUHODPOUFLMUKJ-WDEREUQCSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1CC2(C[N@@H+]1CCCN)CC[NH2+]CC2 ZINC000335276511 386339433 /nfs/dbraw/zinc/33/94/33/386339433.db2.gz FDNNNYGCLQRXSO-LLVKDONJSA-N 2 3 211.353 0.799 20 0 BCADHP C[C@@H]1CC2(C[N@H+]1CCCN)CC[NH2+]CC2 ZINC000335276511 386339437 /nfs/dbraw/zinc/33/94/37/386339437.db2.gz FDNNNYGCLQRXSO-LLVKDONJSA-N 2 3 211.353 0.799 20 0 BCADHP C[C@@]1(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[NH2+]C1 ZINC000415008951 386397516 /nfs/dbraw/zinc/39/75/16/386397516.db2.gz NMCJWAOFCZLYHQ-BFHYXJOUSA-N 2 3 237.391 0.964 20 0 BCADHP C[C@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1[NH3+] ZINC000414760230 386413524 /nfs/dbraw/zinc/41/35/24/386413524.db2.gz GUUMQBUJJWONIS-QCNOEVLYSA-N 2 3 211.353 0.654 20 0 BCADHP [NH3+]CCCN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774746 386472254 /nfs/dbraw/zinc/47/22/54/386472254.db2.gz FWJXRFOGCQDXQF-RYUDHWBXSA-N 2 3 211.353 0.657 20 0 BCADHP NCCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774746 386472260 /nfs/dbraw/zinc/47/22/60/386472260.db2.gz FWJXRFOGCQDXQF-RYUDHWBXSA-N 2 3 211.353 0.657 20 0 BCADHP NCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774746 386472264 /nfs/dbraw/zinc/47/22/64/386472264.db2.gz FWJXRFOGCQDXQF-RYUDHWBXSA-N 2 3 211.353 0.657 20 0 BCADHP CC1(C)CNCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335447635 386514052 /nfs/dbraw/zinc/51/40/52/386514052.db2.gz FLDCJWBPYRELAT-GFCCVEGCSA-N 2 3 225.380 0.964 20 0 BCADHP C[NH2+]CCC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647906388 386625404 /nfs/dbraw/zinc/62/54/04/386625404.db2.gz ZTVJPRKWJCPKTJ-ZDUSSCGKSA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@H](C)C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414832880 386719261 /nfs/dbraw/zinc/71/92/61/386719261.db2.gz FDRMUTSSOFNFIQ-SDDRHHMPSA-N 2 3 213.369 0.820 20 0 BCADHP CNC[C@H](C)C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414832878 386720888 /nfs/dbraw/zinc/72/08/88/386720888.db2.gz FDRMUTSSOFNFIQ-QJPTWQEYSA-N 2 3 213.369 0.820 20 0 BCADHP C[C@H]1CC[NH2+]C[C@H]1NCCC1=CC[NH2+]CC1 ZINC000423546998 387370224 /nfs/dbraw/zinc/37/02/24/387370224.db2.gz ZWBCXAWOUQGCPV-WCQYABFASA-N 2 3 223.364 0.884 20 0 BCADHP [NH3+]C[C@H]1CCCN1CCC1CC[NH2+]CC1 ZINC000261591771 135233031 /nfs/dbraw/zinc/23/30/31/135233031.db2.gz VPJFDIFFUSVZIA-GFCCVEGCSA-N 2 3 211.353 0.799 20 0 BCADHP [NH3+]C1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000335383601 136088018 /nfs/dbraw/zinc/08/80/18/136088018.db2.gz BBGSMLLTTITGDZ-NSHDSACASA-N 2 3 211.353 0.799 20 0 BCADHP [NH3+]CCCN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707520 410337824 /nfs/dbraw/zinc/33/78/24/410337824.db2.gz HTQHPTFOMOLBMU-XQQFMLRXSA-N 2 3 241.379 0.554 20 0 BCADHP NCCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707520 410337827 /nfs/dbraw/zinc/33/78/27/410337827.db2.gz HTQHPTFOMOLBMU-XQQFMLRXSA-N 2 3 241.379 0.554 20 0 BCADHP NCCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707520 410337832 /nfs/dbraw/zinc/33/78/32/410337832.db2.gz HTQHPTFOMOLBMU-XQQFMLRXSA-N 2 3 241.379 0.554 20 0 BCADHP [NH3+]CCCN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707521 410337850 /nfs/dbraw/zinc/33/78/50/410337850.db2.gz HTQHPTFOMOLBMU-YNEHKIRRSA-N 2 3 241.379 0.554 20 0 BCADHP NCCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707521 410337854 /nfs/dbraw/zinc/33/78/54/410337854.db2.gz HTQHPTFOMOLBMU-YNEHKIRRSA-N 2 3 241.379 0.554 20 0 BCADHP NCCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707521 410337858 /nfs/dbraw/zinc/33/78/58/410337858.db2.gz HTQHPTFOMOLBMU-YNEHKIRRSA-N 2 3 241.379 0.554 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H](NCCC2(C[NH3+])CC2)C1 ZINC000650714247 410346694 /nfs/dbraw/zinc/34/66/94/410346694.db2.gz WZCIIPOMJCKCDX-WDEREUQCSA-N 2 3 211.353 0.703 20 0 BCADHP CCO[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1CN ZINC000650714471 410348613 /nfs/dbraw/zinc/34/86/13/410348613.db2.gz HGZSJFGEKCMQLA-CHWSQXEVSA-N 2 3 241.379 0.282 20 0 BCADHP CCO[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1CN ZINC000650714471 410348620 /nfs/dbraw/zinc/34/86/20/410348620.db2.gz HGZSJFGEKCMQLA-CHWSQXEVSA-N 2 3 241.379 0.282 20 0 BCADHP NC[C@H]1CCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748102 410386831 /nfs/dbraw/zinc/38/68/31/410386831.db2.gz MZVXVJNVJCDSPJ-MNOVXSKESA-N 2 3 211.353 0.832 20 0 BCADHP NC[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000309612126 411185469 /nfs/dbraw/zinc/18/54/69/411185469.db2.gz MWAPJSTYLWJNAH-GFCCVEGCSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000309612126 411185473 /nfs/dbraw/zinc/18/54/73/411185473.db2.gz MWAPJSTYLWJNAH-GFCCVEGCSA-N 2 3 211.353 0.657 20 0 BCADHP N[C@@H]1CCC[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000656193084 411198564 /nfs/dbraw/zinc/19/85/64/411198564.db2.gz MBRBAMNOFNYWSI-WOPDTQHZSA-N 2 3 223.364 0.988 20 0 BCADHP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000656193084 411198566 /nfs/dbraw/zinc/19/85/66/411198566.db2.gz MBRBAMNOFNYWSI-WOPDTQHZSA-N 2 3 223.364 0.988 20 0 BCADHP CC[N@@H+]1CC[C@@H](N(C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073358 170009769 /nfs/dbraw/zinc/00/97/69/170009769.db2.gz LHANYNIRJFECJS-QWHCGFSZSA-N 2 3 243.395 0.624 20 0 BCADHP CC[N@H+]1CC[C@@H](N(C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073358 170009771 /nfs/dbraw/zinc/00/97/71/170009771.db2.gz LHANYNIRJFECJS-QWHCGFSZSA-N 2 3 243.395 0.624 20 0 BCADHP C[C@@H]1C[NH2+]CC[C@@H]1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000663496693 411671845 /nfs/dbraw/zinc/67/18/45/411671845.db2.gz HXMKUNNOKWYEGL-JCIQBVFBSA-N 2 3 209.337 0.039 20 0 BCADHP CC[NH2+]CC1CCN(C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663494615 411674255 /nfs/dbraw/zinc/67/42/55/411674255.db2.gz JQFOKEBNTXPMIE-UONOGXRCSA-N 2 3 237.391 0.917 20 0 BCADHP C[C@H]1C[C@@H](C[NH2+]CC23CC(C2)CN3)CC[NH2+]1 ZINC000663501576 411686521 /nfs/dbraw/zinc/68/65/21/411686521.db2.gz XSAQCDDAFYGPDW-ZSVAQUKISA-N 2 3 223.364 0.716 20 0 BCADHP C[C@H]1C[C@@H](CNCC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663501576 411686524 /nfs/dbraw/zinc/68/65/24/411686524.db2.gz XSAQCDDAFYGPDW-ZSVAQUKISA-N 2 3 223.364 0.716 20 0 BCADHP C[NH2+]C[C@H](C)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000665295226 412243236 /nfs/dbraw/zinc/24/32/36/412243236.db2.gz ALBVPIUYSWQXBA-QWRGUYRKSA-N 2 3 213.369 0.914 20 0 BCADHP C(N[C@H]1CC12CC[NH2+]CC2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663217986 487876803 /nfs/dbraw/zinc/87/68/03/487876803.db2.gz UZVJOVHJUNKMSR-MDZLAQPJSA-N 2 3 221.348 0.328 20 0 BCADHP [NH3+]CCOCCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352366 487929646 /nfs/dbraw/zinc/92/96/46/487929646.db2.gz KYOQBFAJKVQCHZ-RYUDHWBXSA-N 2 3 227.352 0.023 20 0 BCADHP C[C@H](N)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363662 487932508 /nfs/dbraw/zinc/93/25/08/487932508.db2.gz KOMNAMJLGPDRNB-WUHRBBMRSA-N 2 3 241.379 0.694 20 0 BCADHP C[C@H](N)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363662 487932510 /nfs/dbraw/zinc/93/25/10/487932510.db2.gz KOMNAMJLGPDRNB-WUHRBBMRSA-N 2 3 241.379 0.694 20 0 BCADHP [NH3+]CCCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243670 324554697 /nfs/dbraw/zinc/55/46/97/324554697.db2.gz YREKAOXADWTEJH-CYBMUJFWSA-N 2 3 241.379 0.426 20 0 BCADHP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC000565658740 325939426 /nfs/dbraw/zinc/93/94/26/325939426.db2.gz QSIDNHFVPLMJLV-WCQYABFASA-N 2 3 225.380 0.964 20 0 BCADHP [NH3+]C1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000236203101 490192513 /nfs/dbraw/zinc/19/25/13/490192513.db2.gz WAEQMJVOAXDCFZ-MCIGGMRASA-N 2 3 211.353 0.988 20 0 BCADHP [NH3+]CCCCCCNC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853247026 588727182 /nfs/dbraw/zinc/72/71/82/588727182.db2.gz ZNRQRZPGZJALAN-VXGBXAGGSA-N 2 3 211.353 0.705 20 0 BCADHP CC1(C)C[NH2+]CC[C@H](NCCOCCC[NH3+])C1 ZINC000902395479 584584805 /nfs/dbraw/zinc/58/48/05/584584805.db2.gz FUFADGVYOAPZAZ-LBPRGKRZSA-N 2 3 243.395 0.720 20 0 BCADHP CC1(C)CNC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902447255 584604708 /nfs/dbraw/zinc/60/47/08/584604708.db2.gz XOMKJMYJSBTVEL-XQHKEYJVSA-N 2 3 237.391 0.962 20 0 BCADHP C[C@H]1CCNCC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490788 584618443 /nfs/dbraw/zinc/61/84/43/584618443.db2.gz VRBDQYCLHCTAOT-BJDJZHNGSA-N 2 3 211.353 0.701 20 0 BCADHP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCCCN1 ZINC000902481603 584624359 /nfs/dbraw/zinc/62/43/59/584624359.db2.gz FNIAIDMPHYVKDF-OLZOCXBDSA-N 2 3 243.395 0.862 20 0 BCADHP C[C@H]1C[C@H]([NH3+])CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460843 584766412 /nfs/dbraw/zinc/76/64/12/584766412.db2.gz JTOPBZDNRNYUEG-WHOHXGKFSA-N 2 3 211.353 0.925 20 0 BCADHP C[C@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460843 584766413 /nfs/dbraw/zinc/76/64/13/584766413.db2.gz JTOPBZDNRNYUEG-WHOHXGKFSA-N 2 3 211.353 0.925 20 0 BCADHP C[C@H]1C[C@H](N)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460843 584766414 /nfs/dbraw/zinc/76/64/14/584766414.db2.gz JTOPBZDNRNYUEG-WHOHXGKFSA-N 2 3 211.353 0.925 20 0 BCADHP [NH3+][C@@H]1CC[C@H](CN2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000903464909 584767312 /nfs/dbraw/zinc/76/73/12/584767312.db2.gz ZOENCKIJKKNECR-LOWDOPEQSA-N 2 3 223.364 0.927 20 0 BCADHP [NH3+][C@@H]1CC[C@H](CN2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000903464912 584767645 /nfs/dbraw/zinc/76/76/45/584767645.db2.gz ZOENCKIJKKNECR-RVMXOQNASA-N 2 3 223.364 0.927 20 0 BCADHP C[C@@H]1C[N@H+](C[C@H]2CCCNC2)C[C@H]1CC[NH3+] ZINC000903494306 584780754 /nfs/dbraw/zinc/78/07/54/584780754.db2.gz BOAAAEKTUWGPDE-FRRDWIJNSA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1C[N@@H+](C[C@H]2CCCNC2)C[C@H]1CC[NH3+] ZINC000903494306 584780755 /nfs/dbraw/zinc/78/07/55/584780755.db2.gz BOAAAEKTUWGPDE-FRRDWIJNSA-N 2 3 225.380 0.903 20 0 BCADHP N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC[NH2+]CC1)C2 ZINC000903843364 584807699 /nfs/dbraw/zinc/80/76/99/584807699.db2.gz JKWOURWODYQSKZ-AVGNSLFASA-N 2 3 223.364 0.798 20 0 BCADHP N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000903843364 584807700 /nfs/dbraw/zinc/80/77/00/584807700.db2.gz JKWOURWODYQSKZ-AVGNSLFASA-N 2 3 223.364 0.798 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CCNC[C@]12C[C@H]1C[NH2+]C2 ZINC000903979253 584833347 /nfs/dbraw/zinc/83/33/47/584833347.db2.gz ZLWSVYYXVYSOTC-NDBYEHHHSA-N 2 3 223.364 0.431 20 0 BCADHP C[C@@H]1CNC[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000903963702 584833595 /nfs/dbraw/zinc/83/35/95/584833595.db2.gz GLFBJNFFACWDBB-DDHJBXDOSA-N 2 3 211.353 0.572 20 0 BCADHP C[NH2+]C[C@@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299472 584860720 /nfs/dbraw/zinc/86/07/20/584860720.db2.gz FKPGNAUKMZZHKE-SDDRHHMPSA-N 2 3 211.353 0.655 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)C1 ZINC000904321903 584864968 /nfs/dbraw/zinc/86/49/68/584864968.db2.gz JVHPEHUGPTUCAV-NNYUYHANSA-N 2 3 209.337 0.408 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)C1 ZINC000904321903 584864971 /nfs/dbraw/zinc/86/49/71/584864971.db2.gz JVHPEHUGPTUCAV-NNYUYHANSA-N 2 3 209.337 0.408 20 0 BCADHP N[C@@H]1CCC[C@H]([NH2+]C2CCN(CC[NH3+])CC2)C1 ZINC000904356082 584871251 /nfs/dbraw/zinc/87/12/51/584871251.db2.gz SVGJLOOMPHHRKV-YPMHNXCESA-N 2 3 240.395 0.269 20 0 BCADHP C[C@@H]1[NH2+]CCC[C@@H]1NC1CCN(CC[NH3+])CC1 ZINC000904356599 584871255 /nfs/dbraw/zinc/87/12/55/584871255.db2.gz XAUTYIOVTBFSPK-AAEUAGOBSA-N 2 3 240.395 0.140 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000904357757 584872075 /nfs/dbraw/zinc/87/20/75/584872075.db2.gz AWENCCJXZFOWHU-GRYCIOLGSA-N 2 3 223.364 0.988 20 0 BCADHP [NH3+]CC1CC([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000904358956 584872294 /nfs/dbraw/zinc/87/22/94/584872294.db2.gz VMBGKEFSDHLTDV-CXQJBGSLSA-N 2 3 223.364 0.988 20 0 BCADHP [NH3+]CC1CC([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000904358957 584872326 /nfs/dbraw/zinc/87/23/26/584872326.db2.gz VMBGKEFSDHLTDV-MOENNCHZSA-N 2 3 223.364 0.988 20 0 BCADHP CN(CCOCC[NH3+])Cc1ccc(C[NH3+])cc1 ZINC000904381165 584876581 /nfs/dbraw/zinc/87/65/81/584876581.db2.gz KZWNNTPSFWTKGA-UHFFFAOYSA-N 2 3 237.347 0.552 20 0 BCADHP CC(C)[C@@H](CN)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407101 584878637 /nfs/dbraw/zinc/87/86/37/584878637.db2.gz NIJKLFFJXXCCQK-RYUDHWBXSA-N 2 3 213.369 0.888 20 0 BCADHP CC(C)[C@@H](CN)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407101 584878638 /nfs/dbraw/zinc/87/86/38/584878638.db2.gz NIJKLFFJXXCCQK-RYUDHWBXSA-N 2 3 213.369 0.888 20 0 BCADHP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCNC[C@@H]3C2)CC[NH2+]1 ZINC000904420506 584882008 /nfs/dbraw/zinc/88/20/08/584882008.db2.gz QVLCJRVHZZFPTH-ZOBORPQBSA-N 2 3 237.391 0.916 20 0 BCADHP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CCNC[C@@H]3C2)CC[NH2+]1 ZINC000904420506 584882009 /nfs/dbraw/zinc/88/20/09/584882009.db2.gz QVLCJRVHZZFPTH-ZOBORPQBSA-N 2 3 237.391 0.916 20 0 BCADHP CNC[C@@](C)(O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846220476 588261090 /nfs/dbraw/zinc/26/10/90/588261090.db2.gz QIMNGOLBYIBTAG-GFCCVEGCSA-N 2 3 241.379 0.032 20 0 BCADHP CNC[C@@](C)(O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846220476 588261091 /nfs/dbraw/zinc/26/10/91/588261091.db2.gz QIMNGOLBYIBTAG-GFCCVEGCSA-N 2 3 241.379 0.032 20 0 BCADHP C[NH2+]C[C@@](C)(O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000846220476 588261092 /nfs/dbraw/zinc/26/10/92/588261092.db2.gz QIMNGOLBYIBTAG-GFCCVEGCSA-N 2 3 241.379 0.032 20 0 BCADHP [NH3+]CCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000846220481 588261302 /nfs/dbraw/zinc/26/13/02/588261302.db2.gz QOPJIQPMIQMMGM-TXEJJXNPSA-N 2 3 211.353 0.657 20 0 BCADHP C[C@H]([NH2+]CC12CC(C1)CN2)C1CC[NH2+]CC1 ZINC000873219957 589999039 /nfs/dbraw/zinc/99/90/39/589999039.db2.gz HVXMHUNTCHXLLO-ZBOXLXRLSA-N 2 3 223.364 0.716 20 0 BCADHP C[C@H](NCC12CC(C1)C[NH2+]2)C1CC[NH2+]CC1 ZINC000873219957 589999040 /nfs/dbraw/zinc/99/90/40/589999040.db2.gz HVXMHUNTCHXLLO-ZBOXLXRLSA-N 2 3 223.364 0.716 20 0 BCADHP CCC1([NH3+])CCN([C@H](CCC[NH3+])COC)CC1 ZINC000925761054 635159676 /nfs/dbraw/zinc/15/96/76/635159676.db2.gz TYMLUEPXMREZOX-GFCCVEGCSA-N 2 3 243.395 0.944 20 0 BCADHP C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC[NH2+]CC1 ZINC000925730586 634560580 /nfs/dbraw/zinc/56/05/80/634560580.db2.gz XEKSWFFTIJHCKF-VUJLMQJESA-N 2 3 249.402 0.961 20 0 BCADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CNC1 ZINC000925697000 634356637 /nfs/dbraw/zinc/35/66/37/634356637.db2.gz CTTWVBDXDVKRMJ-ZYANWLCNSA-N 2 3 209.337 0.311 20 0 BCADHP [NH3+]CC1(CCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925701949 634376395 /nfs/dbraw/zinc/37/63/95/634376395.db2.gz INDJKDICRJUOMX-OBPIAQAESA-N 2 3 235.375 0.701 20 0 BCADHP NC1CC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000906511496 638186322 /nfs/dbraw/zinc/18/63/22/638186322.db2.gz XVSPKPSUHZJDHM-HBUVQDDESA-N 2 3 209.337 0.454 20 0 BCADHP C[C@](C[NH3+])(NC[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923295969 644332853 /nfs/dbraw/zinc/33/28/53/644332853.db2.gz LQSJXTVJQNJFRQ-VXGBXAGGSA-N 2 3 239.363 0.082 20 0 BCADHP CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923369108 644379988 /nfs/dbraw/zinc/37/99/88/644379988.db2.gz VXSNTQOERVERFT-QWRGUYRKSA-N 2 3 241.379 0.328 20 0 BCADHP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923422368 644420213 /nfs/dbraw/zinc/42/02/13/644420213.db2.gz QMELLYIFTLZILA-MXWKQRLJSA-N 2 3 239.363 0.080 20 0 BCADHP CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923422368 644420220 /nfs/dbraw/zinc/42/02/20/644420220.db2.gz QMELLYIFTLZILA-MXWKQRLJSA-N 2 3 239.363 0.080 20 0 BCADHP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925709689 646434454 /nfs/dbraw/zinc/43/44/54/646434454.db2.gz PSSQIRDJGJWCPP-IJLUTSLNSA-N 2 3 223.364 0.988 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000925798418 646486378 /nfs/dbraw/zinc/48/63/78/646486378.db2.gz WPKRXWMAZLKBLJ-FDYHWXHSSA-N 2 3 225.380 0.949 20 0 BCADHP C[C@H]1NCCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816871 646492865 /nfs/dbraw/zinc/49/28/65/646492865.db2.gz KKTKGEPXFCFNQF-DGCLKSJQSA-N 2 3 240.395 0.140 20 0 BCADHP [NH3+]C[C@H]1CCC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925817743 646494288 /nfs/dbraw/zinc/49/42/88/646494288.db2.gz WHJHLHYALAEEAO-YPMHNXCESA-N 2 3 240.395 0.127 20 0 BCADHP C[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000381381810 710630397 /nfs/dbraw/zinc/63/03/97/710630397.db2.gz KSXPDBGFSXBKMN-WISYIIOYSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1N ZINC000381381810 710630399 /nfs/dbraw/zinc/63/03/99/710630399.db2.gz KSXPDBGFSXBKMN-WISYIIOYSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1N ZINC000381381810 710630402 /nfs/dbraw/zinc/63/04/02/710630402.db2.gz KSXPDBGFSXBKMN-WISYIIOYSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000381381821 710630783 /nfs/dbraw/zinc/63/07/83/710630783.db2.gz KSXPDBGFSXBKMN-WYUUTHIRSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1N ZINC000381381821 710630786 /nfs/dbraw/zinc/63/07/86/710630786.db2.gz KSXPDBGFSXBKMN-WYUUTHIRSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1N ZINC000381381821 710630788 /nfs/dbraw/zinc/63/07/88/710630788.db2.gz KSXPDBGFSXBKMN-WYUUTHIRSA-N 2 3 211.353 0.783 20 0 BCADHP CC[NH2+]CCN[C@@H](C)C1CC[NH+](C)CC1 ZINC000643505393 398213602 /nfs/dbraw/zinc/21/36/02/398213602.db2.gz WSKYACBCFCQRCH-NSHDSACASA-N 2 3 213.369 0.916 20 0 BCADHP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000634733750 344114006 /nfs/dbraw/zinc/11/40/06/344114006.db2.gz MUNPLJPMZNVAEF-SYQHCUMBSA-N 2 3 237.391 0.964 20 0 BCADHP [NH3+]C[C@H]1CC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000634995977 345186019 /nfs/dbraw/zinc/18/60/19/345186019.db2.gz VJYWNDZBVHZBMN-UZEXVOJHSA-N 2 3 209.337 0.455 20 0 BCADHP [NH3+]C[C@H]1CC[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000634995977 345186024 /nfs/dbraw/zinc/18/60/24/345186024.db2.gz VJYWNDZBVHZBMN-UZEXVOJHSA-N 2 3 209.337 0.455 20 0 BCADHP CC(C)[C@H](CN)C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000634996089 345186970 /nfs/dbraw/zinc/18/69/70/345186970.db2.gz ZDRCMUVDMSDUPI-IJLUTSLNSA-N 2 3 213.369 0.934 20 0 BCADHP [NH3+]C[C@@H]1CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420292665 192202658 /nfs/dbraw/zinc/20/26/58/192202658.db2.gz PUQANGORTNXRLO-RYUDHWBXSA-N 2 3 211.353 0.799 20 0 BCADHP CN(CC[C@@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000420338543 192216811 /nfs/dbraw/zinc/21/68/11/192216811.db2.gz RWMDWIIDTOFZAC-UNXYVOJBSA-N 2 3 211.353 0.798 20 0 BCADHP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CC(N)C1 ZINC000420338543 192216813 /nfs/dbraw/zinc/21/68/13/192216813.db2.gz RWMDWIIDTOFZAC-UNXYVOJBSA-N 2 3 211.353 0.798 20 0 BCADHP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC(N)C1 ZINC000420338543 192216814 /nfs/dbraw/zinc/21/68/14/192216814.db2.gz RWMDWIIDTOFZAC-UNXYVOJBSA-N 2 3 211.353 0.798 20 0 BCADHP [NH3+]CCOCCN[C@H](C[NH3+])C1CCCCC1 ZINC000420364661 192223302 /nfs/dbraw/zinc/22/33/02/192223302.db2.gz KKEHSMYHRYFDPW-GFCCVEGCSA-N 2 3 229.368 0.459 20 0 BCADHP C[NH2+]CCCN(C)CC[C@H]1CCC[NH2+]C1 ZINC000420393668 192237021 /nfs/dbraw/zinc/23/70/21/192237021.db2.gz YLZIUTPSGAYIHV-GFCCVEGCSA-N 2 3 213.369 0.917 20 0 BCADHP CNCCC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420393668 192237022 /nfs/dbraw/zinc/23/70/22/192237022.db2.gz YLZIUTPSGAYIHV-GFCCVEGCSA-N 2 3 213.369 0.917 20 0 BCADHP CNCCC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420393668 192237023 /nfs/dbraw/zinc/23/70/23/192237023.db2.gz YLZIUTPSGAYIHV-GFCCVEGCSA-N 2 3 213.369 0.917 20 0 BCADHP C[NH2+]CCOCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000629528496 361136932 /nfs/dbraw/zinc/13/69/32/361136932.db2.gz AMYXYVDGDCGVHG-VXGBXAGGSA-N 2 3 229.368 0.295 20 0 BCADHP C[NH2+]CCOCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000629528496 361136939 /nfs/dbraw/zinc/13/69/39/361136939.db2.gz AMYXYVDGDCGVHG-VXGBXAGGSA-N 2 3 229.368 0.295 20 0 BCADHP CC[N@@H+]1CC[C@@H](NCCOCC[NH2+]C)[C@@H](C)C1 ZINC000629528919 361138772 /nfs/dbraw/zinc/13/87/72/361138772.db2.gz MYTDZTBYENLHDG-QWHCGFSZSA-N 2 3 243.395 0.542 20 0 BCADHP CC[N@H+]1CC[C@@H](NCCOCC[NH2+]C)[C@@H](C)C1 ZINC000629528919 361138778 /nfs/dbraw/zinc/13/87/78/361138778.db2.gz MYTDZTBYENLHDG-QWHCGFSZSA-N 2 3 243.395 0.542 20 0 BCADHP C[NH2+]CCOCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000629531402 361149009 /nfs/dbraw/zinc/14/90/09/361149009.db2.gz KBVBBLUIOHNLET-GHMZBOCLSA-N 2 3 215.341 0.082 20 0 BCADHP C[C@H](N)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000622044476 370676952 /nfs/dbraw/zinc/67/69/52/370676952.db2.gz HMXXYZBBUNHFIW-WHOHXGKFSA-N 2 3 211.353 0.701 20 0 BCADHP C[C@H](N)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000622044473 370677200 /nfs/dbraw/zinc/67/72/00/370677200.db2.gz HMXXYZBBUNHFIW-FIQHERPVSA-N 2 3 211.353 0.701 20 0 BCADHP [NH3+]CCCOCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000629541314 361416851 /nfs/dbraw/zinc/41/68/51/361416851.db2.gz YHWZGLMFKHTRCY-QWRGUYRKSA-N 2 3 215.341 0.069 20 0 BCADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629541314 361416856 /nfs/dbraw/zinc/41/68/56/361416856.db2.gz YHWZGLMFKHTRCY-QWRGUYRKSA-N 2 3 215.341 0.069 20 0 BCADHP CC(C)C[C@@H](N)C[NH2+]CCOCCC[NH3+] ZINC000629681829 361603121 /nfs/dbraw/zinc/60/31/21/361603121.db2.gz VJGKOLAIGURQDE-LLVKDONJSA-N 2 3 217.357 0.315 20 0 BCADHP CC(C)C[C@H](N)C[NH2+]CCOCCC[NH3+] ZINC000629681920 361603311 /nfs/dbraw/zinc/60/33/11/361603311.db2.gz VJGKOLAIGURQDE-NSHDSACASA-N 2 3 217.357 0.315 20 0 BCADHP C[C@H]1CC[C@@H](NC2CCC([NH3+])CC2)C[NH2+]1 ZINC000398951102 364279088 /nfs/dbraw/zinc/27/90/88/364279088.db2.gz CALNDIXVCQKWJW-WNYYMSAVSA-N 2 3 211.353 0.986 20 0 BCADHP C[NH2+]CC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000573966043 364955793 /nfs/dbraw/zinc/95/57/93/364955793.db2.gz OAZSEFSWOZBHQP-CYBMUJFWSA-N 2 3 225.380 0.917 20 0 BCADHP CC[NH2+]CC1CC[NH+](C[C@](C)(O)CNC)CC1 ZINC000574091456 364986061 /nfs/dbraw/zinc/98/60/61/364986061.db2.gz GKHMUXIKKXXGFD-CYBMUJFWSA-N 2 3 243.395 0.278 20 0 BCADHP CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000579602893 366901139 /nfs/dbraw/zinc/90/11/39/366901139.db2.gz XHGMVVNSVTXQRM-NWDGAFQWSA-N 2 3 229.368 0.018 20 0 BCADHP CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000579602893 366901143 /nfs/dbraw/zinc/90/11/43/366901143.db2.gz XHGMVVNSVTXQRM-NWDGAFQWSA-N 2 3 229.368 0.018 20 0 BCADHP C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000579602893 366901149 /nfs/dbraw/zinc/90/11/49/366901149.db2.gz XHGMVVNSVTXQRM-NWDGAFQWSA-N 2 3 229.368 0.018 20 0 BCADHP CNC[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000581309963 367338494 /nfs/dbraw/zinc/33/84/94/367338494.db2.gz AIDILBIFBIOVTJ-XQQFMLRXSA-N 2 3 225.380 0.916 20 0 BCADHP CNC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000581309963 367338502 /nfs/dbraw/zinc/33/85/02/367338502.db2.gz AIDILBIFBIOVTJ-XQQFMLRXSA-N 2 3 225.380 0.916 20 0 BCADHP N[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000581954424 368021183 /nfs/dbraw/zinc/02/11/83/368021183.db2.gz WZSQQXICQHRIOT-KXNHARMFSA-N 2 3 211.353 0.973 20 0 BCADHP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1CN ZINC000631838807 369121796 /nfs/dbraw/zinc/12/17/96/369121796.db2.gz VMWGJAGQEDUCEM-WCQYABFASA-N 2 3 225.380 0.903 20 0 BCADHP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1CN ZINC000631838807 369121803 /nfs/dbraw/zinc/12/18/03/369121803.db2.gz VMWGJAGQEDUCEM-WCQYABFASA-N 2 3 225.380 0.903 20 0 BCADHP CC[NH2+]CCN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546373 384728884 /nfs/dbraw/zinc/72/88/84/384728884.db2.gz HTBKSEKWYLKKFK-QJPTWQEYSA-N 2 3 211.353 0.574 20 0 BCADHP CNCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546351 384730585 /nfs/dbraw/zinc/73/05/85/384730585.db2.gz HBDCNUZVEUQSTQ-QJPTWQEYSA-N 2 3 211.353 0.574 20 0 BCADHP C(NC[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000647546440 384731047 /nfs/dbraw/zinc/73/10/47/384731047.db2.gz KHCDHFUHAHOZIH-LBPRGKRZSA-N 2 3 211.353 0.718 20 0 BCADHP CCC[NH2+]CCN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546971 384733673 /nfs/dbraw/zinc/73/36/73/384733673.db2.gz IPRGBBRYBXFALX-FRRDWIJNSA-N 2 3 225.380 0.964 20 0 BCADHP C[C@H](CCN)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546910 384733812 /nfs/dbraw/zinc/73/38/12/384733812.db2.gz GZTDDHPGCWPBMJ-WISYIIOYSA-N 2 3 211.353 0.701 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H](NCC[C@H]2CC[NH2+]C2)C1 ZINC000647546639 384734233 /nfs/dbraw/zinc/73/42/33/384734233.db2.gz TUJVLDPSDZZTQA-QJPTWQEYSA-N 2 3 211.353 0.574 20 0 BCADHP C[C@H](CN)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547511 384740707 /nfs/dbraw/zinc/74/07/07/384740707.db2.gz YCVCZHRHQZBOEM-WISYIIOYSA-N 2 3 211.353 0.559 20 0 BCADHP C[C@H](N)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309509227 384762330 /nfs/dbraw/zinc/76/23/30/384762330.db2.gz WVNVYWRJNIDZGF-JQWIXIFHSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@H](N)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309509227 384762337 /nfs/dbraw/zinc/76/23/37/384762337.db2.gz WVNVYWRJNIDZGF-JQWIXIFHSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H](N)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309509228 384762355 /nfs/dbraw/zinc/76/23/55/384762355.db2.gz WVNVYWRJNIDZGF-PWSUYJOCSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H](N)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000309509228 384762364 /nfs/dbraw/zinc/76/23/64/384762364.db2.gz WVNVYWRJNIDZGF-PWSUYJOCSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](CN)C2)CC[NH2+]1 ZINC000647490235 385281509 /nfs/dbraw/zinc/28/15/09/385281509.db2.gz HHAPCEPBYBLBHZ-GRYCIOLGSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](CN)C2)CC[NH2+]1 ZINC000647490235 385281518 /nfs/dbraw/zinc/28/15/18/385281518.db2.gz HHAPCEPBYBLBHZ-GRYCIOLGSA-N 2 3 211.353 0.655 20 0 BCADHP [NH3+]CC1CCC([NH2+]C[C@H]2CCCN2)CC1 ZINC000414853276 385685809 /nfs/dbraw/zinc/68/58/09/385685809.db2.gz XIFJGGXBJQWPJT-HTAVTVPLSA-N 2 3 211.353 0.846 20 0 BCADHP [NH3+]CCCOC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647859048 385916967 /nfs/dbraw/zinc/91/69/67/385916967.db2.gz IKRNFKKYBJAZSY-LBPRGKRZSA-N 2 3 241.379 0.426 20 0 BCADHP C[NH2+]C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000647836741 385879822 /nfs/dbraw/zinc/87/98/22/385879822.db2.gz OREPBVOCMINYTF-OLZOCXBDSA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647836741 385879823 /nfs/dbraw/zinc/87/98/23/385879823.db2.gz OREPBVOCMINYTF-OLZOCXBDSA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647836741 385879830 /nfs/dbraw/zinc/87/98/30/385879830.db2.gz OREPBVOCMINYTF-OLZOCXBDSA-N 2 3 225.380 0.917 20 0 BCADHP [NH3+]CCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000414656496 386085430 /nfs/dbraw/zinc/08/54/30/386085430.db2.gz NBJYMOYULXDEBL-GFCCVEGCSA-N 2 3 211.353 0.799 20 0 BCADHP C[N@H+](CCCC1CC[NH2+]CC1)C[C@@H](O)CN ZINC000647987578 386274589 /nfs/dbraw/zinc/27/45/89/386274589.db2.gz FNDNDOZQZFLGTQ-LBPRGKRZSA-N 2 3 229.368 0.018 20 0 BCADHP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H](O)CN ZINC000647987578 386274598 /nfs/dbraw/zinc/27/45/98/386274598.db2.gz FNDNDOZQZFLGTQ-LBPRGKRZSA-N 2 3 229.368 0.018 20 0 BCADHP CN(CCCC1CC[NH2+]CC1)C[C@@H](O)C[NH3+] ZINC000647987578 386274603 /nfs/dbraw/zinc/27/46/03/386274603.db2.gz FNDNDOZQZFLGTQ-LBPRGKRZSA-N 2 3 229.368 0.018 20 0 BCADHP C[C@H]1C[C@H](C[NH+]2CCC(N)CC2)CC[NH2+]1 ZINC000335447258 386514590 /nfs/dbraw/zinc/51/45/90/386514590.db2.gz BFSSXUKCRBIFMR-WDEREUQCSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@H]1C[C@H](CN2CCC([NH3+])CC2)CC[NH2+]1 ZINC000335447258 386514596 /nfs/dbraw/zinc/51/45/96/386514596.db2.gz BFSSXUKCRBIFMR-WDEREUQCSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1C[C@H](C[NH+]2CCC(N)CC2)CC[NH2+]1 ZINC000335447255 386514890 /nfs/dbraw/zinc/51/48/90/386514890.db2.gz BFSSXUKCRBIFMR-GHMZBOCLSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1C[C@H](CN2CCC([NH3+])CC2)CC[NH2+]1 ZINC000335447255 386514895 /nfs/dbraw/zinc/51/48/95/386514895.db2.gz BFSSXUKCRBIFMR-GHMZBOCLSA-N 2 3 211.353 0.798 20 0 BCADHP N[C@@H]1CCC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000335448393 386517204 /nfs/dbraw/zinc/51/72/04/386517204.db2.gz PLADRHMXQQUAPB-NEPJUHHUSA-N 2 3 211.353 0.846 20 0 BCADHP C[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CCN1 ZINC000335448766 386517632 /nfs/dbraw/zinc/51/76/32/386517632.db2.gz RZMPJRNAERBYRV-JQWIXIFHSA-N 2 3 211.353 0.716 20 0 BCADHP N[C@H]1CCC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000335448394 386517969 /nfs/dbraw/zinc/51/79/69/386517969.db2.gz PLADRHMXQQUAPB-NWDGAFQWSA-N 2 3 211.353 0.846 20 0 BCADHP C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415056528 386537536 /nfs/dbraw/zinc/53/75/36/386537536.db2.gz QYPBQKUWGPTRCQ-BJDJZHNGSA-N 2 3 211.353 0.796 20 0 BCADHP C([NH2+]C[C@H]1CCCNC1)C1CC[NH2+]CC1 ZINC000414837205 386734338 /nfs/dbraw/zinc/73/43/38/386734338.db2.gz VSKYECSSWFMLPS-LBPRGKRZSA-N 2 3 211.353 0.575 20 0 BCADHP C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000414842042 386747919 /nfs/dbraw/zinc/74/79/19/386747919.db2.gz OSSLPOQBMOSACT-VXGBXAGGSA-N 2 3 211.353 0.718 20 0 BCADHP C[NH2+]C[C@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000572243108 387286492 /nfs/dbraw/zinc/28/64/92/387286492.db2.gz MBYKMUJQKQGDAT-CYBMUJFWSA-N 2 3 225.380 0.917 20 0 BCADHP C[C@@H]1CC[NH2+]C[C@H]1NCCC1=CC[NH2+]CC1 ZINC000423546997 387371063 /nfs/dbraw/zinc/37/10/63/387371063.db2.gz ZWBCXAWOUQGCPV-DGCLKSJQSA-N 2 3 223.364 0.884 20 0 BCADHP C[C@H]1CC[NH2+]C[C@@H]1NCCC1=CC[NH2+]CC1 ZINC000423546996 387371500 /nfs/dbraw/zinc/37/15/00/387371500.db2.gz ZWBCXAWOUQGCPV-AAEUAGOBSA-N 2 3 223.364 0.884 20 0 BCADHP C([NH2+][C@@H]1CCNC12CCC2)C1CC[NH2+]CC1 ZINC000527531326 387601938 /nfs/dbraw/zinc/60/19/38/387601938.db2.gz DWCRGRJSQWVDFH-GFCCVEGCSA-N 2 3 223.364 0.860 20 0 BCADHP C[C@@H]1C[C@H](C)N(CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000422636569 387612698 /nfs/dbraw/zinc/61/26/98/387612698.db2.gz NCZGCUWIHLBNOJ-GRYCIOLGSA-N 2 3 229.368 0.267 20 0 BCADHP CNC[C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423281592 388063422 /nfs/dbraw/zinc/06/34/22/388063422.db2.gz VUQBHAWDTGSWSD-MNOVXSKESA-N 2 3 201.358 0.949 20 0 BCADHP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCNC1 ZINC000565658722 388960577 /nfs/dbraw/zinc/96/05/77/388960577.db2.gz QSIDNHFVPLMJLV-AAEUAGOBSA-N 2 3 225.380 0.964 20 0 BCADHP C(N[C@@H]1CCCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000335640824 533368378 /nfs/dbraw/zinc/36/83/78/533368378.db2.gz AKHZZDPXCZBEHQ-GFCCVEGCSA-N 2 3 211.353 0.718 20 0 BCADHP C[C@@H]1C[C@H](C[NH3+])CN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662263400 409555349 /nfs/dbraw/zinc/55/53/49/409555349.db2.gz ARNAOUXCCJMYKQ-IJLUTSLNSA-N 2 3 239.363 0.177 20 0 BCADHP C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266321 409564065 /nfs/dbraw/zinc/56/40/65/409564065.db2.gz LZKVBSZIELGXRV-QJPTWQEYSA-N 2 3 239.363 0.177 20 0 BCADHP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CNC1 ZINC000656200134 411205125 /nfs/dbraw/zinc/20/51/25/411205125.db2.gz KAALENXZAJDGBC-FOGDFJRCSA-N 2 3 211.353 0.524 20 0 BCADHP CN(C[C@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)C[NH3+] ZINC000662248113 412047612 /nfs/dbraw/zinc/04/76/12/412047612.db2.gz UBMPHNYTDVGOHM-LLVKDONJSA-N 2 3 241.379 0.424 20 0 BCADHP [NH3+]CC12CC(C1)CN2CC[C@@H]1CC[NH2+]C1 ZINC000662306246 412091266 /nfs/dbraw/zinc/09/12/66/412091266.db2.gz PPVTUFQRXJGJPB-UNXYVOJBSA-N 2 3 209.337 0.409 20 0 BCADHP NCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652364130 487933347 /nfs/dbraw/zinc/93/33/47/487933347.db2.gz ZBIBWFNUHDGDTP-IJLUTSLNSA-N 2 3 227.352 0.306 20 0 BCADHP NCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652364130 487933350 /nfs/dbraw/zinc/93/33/50/487933350.db2.gz ZBIBWFNUHDGDTP-IJLUTSLNSA-N 2 3 227.352 0.306 20 0 BCADHP C(N1CCC2(CC[NH2+]C2)CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663494488 488044355 /nfs/dbraw/zinc/04/43/55/488044355.db2.gz OSZZQSMULGEDRA-GXTWGEPZSA-N 2 3 235.375 0.671 20 0 BCADHP C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843344329 582534845 /nfs/dbraw/zinc/53/48/45/582534845.db2.gz WDXNILDWSUFZKC-AVGNSLFASA-N 2 3 243.395 0.847 20 0 BCADHP CN(C[C@]12C[C@H]1C[NH2+]C2)C1CCC([NH3+])CC1 ZINC000853245761 588728633 /nfs/dbraw/zinc/72/86/33/588728633.db2.gz CJGIEMFRNGQSAA-YWPUVAFDSA-N 2 3 223.364 0.798 20 0 BCADHP C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843344331 582534642 /nfs/dbraw/zinc/53/46/42/582534642.db2.gz WDXNILDWSUFZKC-XQQFMLRXSA-N 2 3 243.395 0.847 20 0 BCADHP CC1(C)CNC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000902445232 584599081 /nfs/dbraw/zinc/59/90/81/584599081.db2.gz PIKNECUBWMUQTK-ILDUYXDCSA-N 2 3 211.353 0.844 20 0 BCADHP [NH3+]C[C@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000902487187 584626077 /nfs/dbraw/zinc/62/60/77/584626077.db2.gz JKOFUNPLSSFXBF-NAKRPEOUSA-N 2 3 209.337 0.583 20 0 BCADHP NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487099 584626114 /nfs/dbraw/zinc/62/61/14/584626114.db2.gz IMIDJEYKZILYMQ-DDHJBXDOSA-N 2 3 211.353 0.831 20 0 BCADHP C[C@@H]([NH3+])C1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903422847 584764707 /nfs/dbraw/zinc/76/47/07/584764707.db2.gz JXXIFZDVLIUZFG-WZRBSPASSA-N 2 3 225.380 0.901 20 0 BCADHP C([NH2+][C@@H]1CCNC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918567 584822576 /nfs/dbraw/zinc/82/25/76/584822576.db2.gz BULVFLRPDOKVCO-FGNRJIRKSA-N 2 3 209.337 0.469 20 0 BCADHP C[C@H](CN)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920724 584823383 /nfs/dbraw/zinc/82/33/83/584823383.db2.gz WWYIAGXLBODBGD-WAAKLRNESA-N 2 3 211.353 0.701 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CCNC[C@]1(C)CC[NH2+]C1 ZINC000903979002 584832949 /nfs/dbraw/zinc/83/29/49/584832949.db2.gz RQHBKVDKBJGBQU-UPJWGTAASA-N 2 3 225.380 0.821 20 0 BCADHP C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000903964748 584834730 /nfs/dbraw/zinc/83/47/30/584834730.db2.gz POLDFPNEWQJIQX-NZEXEKPDSA-N 2 3 223.364 0.572 20 0 BCADHP C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000903964750 584834749 /nfs/dbraw/zinc/83/47/49/584834749.db2.gz POLDFPNEWQJIQX-UJPOAAIJSA-N 2 3 223.364 0.572 20 0 BCADHP C[NH2+]C[C@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299473 584860477 /nfs/dbraw/zinc/86/04/77/584860477.db2.gz FKPGNAUKMZZHKE-UTUOFQBUSA-N 2 3 211.353 0.655 20 0 BCADHP CC[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000904302062 584862281 /nfs/dbraw/zinc/86/22/81/584862281.db2.gz UNQOULOQJNUJCH-WYUUTHIRSA-N 2 3 211.353 0.783 20 0 BCADHP CC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1N ZINC000904302062 584862283 /nfs/dbraw/zinc/86/22/83/584862283.db2.gz UNQOULOQJNUJCH-WYUUTHIRSA-N 2 3 211.353 0.783 20 0 BCADHP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1N ZINC000904302062 584862285 /nfs/dbraw/zinc/86/22/85/584862285.db2.gz UNQOULOQJNUJCH-WYUUTHIRSA-N 2 3 211.353 0.783 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCCNC3)C1 ZINC000904334389 584866347 /nfs/dbraw/zinc/86/63/47/584866347.db2.gz UTFSWKXPEIUKTK-XQQFMLRXSA-N 2 3 223.364 0.799 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCCNC3)C1 ZINC000904334389 584866348 /nfs/dbraw/zinc/86/63/48/584866348.db2.gz UTFSWKXPEIUKTK-XQQFMLRXSA-N 2 3 223.364 0.799 20 0 BCADHP C[C@H]([NH2+]C1CC(C[NH3+])C1)[C@@H]1CCCNC1 ZINC000904353181 584869718 /nfs/dbraw/zinc/86/97/18/584869718.db2.gz HVDVRYINFLCNSV-UZEXVOJHSA-N 2 3 211.353 0.701 20 0 BCADHP C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904354285 584870141 /nfs/dbraw/zinc/87/01/41/584870141.db2.gz DKXHFJOEMKNENF-ZJUUUORDSA-N 2 3 207.321 0.971 20 0 BCADHP C[C@@]1(C[NH2+]CC[C@@H]2CC[NH2+]C2)CCCNC1 ZINC000904353856 584870377 /nfs/dbraw/zinc/87/03/77/584870377.db2.gz SVNPWKRQDWNQJC-QWHCGFSZSA-N 2 3 225.380 0.965 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000904380132 584876600 /nfs/dbraw/zinc/87/66/00/584876600.db2.gz IQRQAANOVLTQTI-WISYIIOYSA-N 2 3 209.337 0.537 20 0 BCADHP C[C@@H]1CN(CC2(C[NH3+])CC2)CC[C@H]1C[NH3+] ZINC000904410584 584878924 /nfs/dbraw/zinc/87/89/24/584878924.db2.gz PAXIPLQQJDAOOW-MNOVXSKESA-N 2 3 211.353 0.642 20 0 BCADHP C[C@H]1CN(CC2(C[NH3+])CC2)CC[C@H]1C[NH3+] ZINC000904410585 584879197 /nfs/dbraw/zinc/87/91/97/584879197.db2.gz PAXIPLQQJDAOOW-QWRGUYRKSA-N 2 3 211.353 0.642 20 0 BCADHP C[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@H]1C[NH3+] ZINC000904411715 584879885 /nfs/dbraw/zinc/87/98/85/584879885.db2.gz WVTPQNCETFJIEJ-XQHKEYJVSA-N 2 3 223.364 0.513 20 0 BCADHP C[C@@H]([NH2+]CC1(CN)CC1)C1CC[NH2+]CC1 ZINC000873220765 589998973 /nfs/dbraw/zinc/99/89/73/589998973.db2.gz SKVSNFHSECFUKH-SNVBAGLBSA-N 2 3 211.353 0.703 20 0 BCADHP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)C1CNC1 ZINC000873270914 590016356 /nfs/dbraw/zinc/01/63/56/590016356.db2.gz CEWNCIHQMXRUKR-VHSXEESVSA-N 2 3 211.353 0.572 20 0 BCADHP [NH3+]C1CC(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925729524 634544034 /nfs/dbraw/zinc/54/40/34/634544034.db2.gz KCXLXWKAKQRDRB-UARPKCRYSA-N 2 3 221.348 0.310 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCCCN3)C1 ZINC000904429474 637397954 /nfs/dbraw/zinc/39/79/54/637397954.db2.gz ITBLWIOGOHPZJV-XQQFMLRXSA-N 2 3 223.364 0.942 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCCCN3)C1 ZINC000904429474 637397964 /nfs/dbraw/zinc/39/79/64/637397964.db2.gz ITBLWIOGOHPZJV-XQQFMLRXSA-N 2 3 223.364 0.942 20 0 BCADHP C[C@@H]1C[C@H](C[NH2+][C@@H]2CNCC2(C)C)CC[NH2+]1 ZINC000904461393 637407222 /nfs/dbraw/zinc/40/72/22/637407222.db2.gz IXIXJAKCWSOUFG-IJLUTSLNSA-N 2 3 225.380 0.962 20 0 BCADHP C[NH+](C)CC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923322543 644352879 /nfs/dbraw/zinc/35/28/79/644352879.db2.gz XRERUFSVKOYWSB-AVGNSLFASA-N 2 3 241.379 0.111 20 0 BCADHP [NH3+]CCCCCCC[NH+]1CCNCCNCC1 ZINC000923462590 644445867 /nfs/dbraw/zinc/44/58/67/644445867.db2.gz LQPHKBFYMAWMDY-UHFFFAOYSA-N 2 3 242.411 0.390 20 0 BCADHP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1CNC1 ZINC000925803623 646488901 /nfs/dbraw/zinc/48/89/01/646488901.db2.gz SDPPELXGDUFVIA-OUAUKWLOSA-N 2 3 211.353 0.430 20 0 BCADHP C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390534646 711124370 /nfs/dbraw/zinc/12/43/70/711124370.db2.gz JTOPBZDNRNYUEG-WISYIIOYSA-N 2 3 211.353 0.925 20 0 BCADHP C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390534646 711124373 /nfs/dbraw/zinc/12/43/73/711124373.db2.gz JTOPBZDNRNYUEG-WISYIIOYSA-N 2 3 211.353 0.925 20 0 BCADHP C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390534646 711124376 /nfs/dbraw/zinc/12/43/76/711124376.db2.gz JTOPBZDNRNYUEG-WISYIIOYSA-N 2 3 211.353 0.925 20 0 BCADHP C[C@H]1[NH2+]CCC[C@H]1NCCCN1CC[NH2+]CC1 ZINC000925689146 711709388 /nfs/dbraw/zinc/70/93/88/711709388.db2.gz GYRKDFWETJLFGB-CHWSQXEVSA-N 2 3 240.395 0.012 20 0 BCADHP C[C@H]1[NH2+]CCC[C@@H]1NCCCN1CC[NH2+]CC1 ZINC000925689148 711709524 /nfs/dbraw/zinc/70/95/24/711709524.db2.gz GYRKDFWETJLFGB-OLZOCXBDSA-N 2 3 240.395 0.012 20 0 BCADHP COC[C@@]1(CNCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000576992494 365745749 /nfs/dbraw/zinc/74/57/49/365745749.db2.gz QFEYUOKDSQJDEG-ZDUSSCGKSA-N 2 3 241.379 0.344 20 0 BCADHP [NH3+]CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000336516679 347057542 /nfs/dbraw/zinc/05/75/42/347057542.db2.gz AZYYVUOHOZHBLC-GFCCVEGCSA-N 2 3 211.353 0.657 20 0 BCADHP [NH3+]CC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000336516679 347057545 /nfs/dbraw/zinc/05/75/45/347057545.db2.gz AZYYVUOHOZHBLC-GFCCVEGCSA-N 2 3 211.353 0.657 20 0 BCADHP CC(C)[C@@H](C[NH3+])CN(C)CCN1CC[NH2+]CC1 ZINC000634990759 345173270 /nfs/dbraw/zinc/17/32/70/345173270.db2.gz BEAQKYCQJPAQCW-ZDUSSCGKSA-N 2 3 242.411 0.054 20 0 BCADHP NCC1(C[NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000634995835 345185812 /nfs/dbraw/zinc/18/58/12/345185812.db2.gz QFBBIFVQUWQMCE-SNVBAGLBSA-N 2 3 209.337 0.457 20 0 BCADHP [NH3+]CC1(CN[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000634995835 345185815 /nfs/dbraw/zinc/18/58/15/345185815.db2.gz QFBBIFVQUWQMCE-SNVBAGLBSA-N 2 3 209.337 0.457 20 0 BCADHP NCC1(C[NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000634995834 345186032 /nfs/dbraw/zinc/18/60/32/345186032.db2.gz QFBBIFVQUWQMCE-JTQLQIEISA-N 2 3 209.337 0.457 20 0 BCADHP [NH3+]CC1(CN[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000634995834 345186035 /nfs/dbraw/zinc/18/60/35/345186035.db2.gz QFBBIFVQUWQMCE-JTQLQIEISA-N 2 3 209.337 0.457 20 0 BCADHP CC(C)[C@H](CN)C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000634996090 345186569 /nfs/dbraw/zinc/18/65/69/345186569.db2.gz ZDRCMUVDMSDUPI-QJPTWQEYSA-N 2 3 213.369 0.934 20 0 BCADHP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C1CNC1 ZINC000635005403 345209390 /nfs/dbraw/zinc/20/93/90/345209390.db2.gz NEAXWBURYYDLNW-CKYFFXLPSA-N 2 3 211.353 0.701 20 0 BCADHP C[C@@H]1C[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000580075098 346511043 /nfs/dbraw/zinc/51/10/43/346511043.db2.gz ULXXYTLNLAVZOH-LPWJVIDDSA-N 2 3 223.364 0.526 20 0 BCADHP C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1CN ZINC000420415820 192240458 /nfs/dbraw/zinc/24/04/58/192240458.db2.gz VIKCKHBHBULERH-FRRDWIJNSA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1CN ZINC000420415820 192240460 /nfs/dbraw/zinc/24/04/60/192240460.db2.gz VIKCKHBHBULERH-FRRDWIJNSA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000420415820 192240463 /nfs/dbraw/zinc/24/04/63/192240463.db2.gz VIKCKHBHBULERH-FRRDWIJNSA-N 2 3 225.380 0.903 20 0 BCADHP C[NH2+]CCOCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000629531810 361149964 /nfs/dbraw/zinc/14/99/64/361149964.db2.gz YWRVLSHXLWZZML-NEPJUHHUSA-N 2 3 229.368 0.330 20 0 BCADHP C[NH2+]CCOCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000629531810 361149967 /nfs/dbraw/zinc/14/99/67/361149967.db2.gz YWRVLSHXLWZZML-NEPJUHHUSA-N 2 3 229.368 0.330 20 0 BCADHP [NH3+]CCCOCCN[C@H]1CCC[NH2+]CC1 ZINC000629539316 361404561 /nfs/dbraw/zinc/40/45/61/361404561.db2.gz PQGIZYIWDDNMBM-NSHDSACASA-N 2 3 215.341 0.084 20 0 BCADHP C[C@@H]([NH3+])C[C@H](C)NCCOCCC[NH3+] ZINC000629534602 361407394 /nfs/dbraw/zinc/40/73/94/361407394.db2.gz AHDGTHAIUCBEBD-ZJUUUORDSA-N 2 3 203.330 0.067 20 0 BCADHP C[C@@H]1C[C@@H](N)CC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000579607614 366905290 /nfs/dbraw/zinc/90/52/90/366905290.db2.gz HEJJKKAMYXUJPR-UTUOFQBUSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1C[C@@H](N)CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000579607614 366905293 /nfs/dbraw/zinc/90/52/93/366905293.db2.gz HEJJKKAMYXUJPR-UTUOFQBUSA-N 2 3 211.353 0.798 20 0 BCADHP [NH3+]CCOCCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000566244389 326021459 /nfs/dbraw/zinc/02/14/59/326021459.db2.gz YCIOWYXUFCWCDF-SRVKXCTJSA-N 2 3 227.352 0.021 20 0 BCADHP CNC[C@@](C)(O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000567478544 326200760 /nfs/dbraw/zinc/20/07/60/326200760.db2.gz YEDXCHFBFQEJRF-CYBMUJFWSA-N 2 3 243.395 0.278 20 0 BCADHP C[NH2+]C1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000567893091 326278022 /nfs/dbraw/zinc/27/80/22/326278022.db2.gz VLURURQHNIKCHJ-NSHDSACASA-N 2 3 211.353 0.670 20 0 BCADHP CNC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000567893091 326278024 /nfs/dbraw/zinc/27/80/24/326278024.db2.gz VLURURQHNIKCHJ-NSHDSACASA-N 2 3 211.353 0.670 20 0 BCADHP C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C[NH3+] ZINC000631837047 372627321 /nfs/dbraw/zinc/62/73/21/372627321.db2.gz MBMZHCABLGBHHQ-UTUOFQBUSA-N 2 3 239.363 0.034 20 0 BCADHP COC[C@@H](CCC[NH3+])N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424381697 206039426 /nfs/dbraw/zinc/03/94/26/206039426.db2.gz ZJWMAHZVEYAGRV-IJLUTSLNSA-N 2 3 229.368 0.600 20 0 BCADHP C[C@@H]1C[NH2+]C[C@@H](NCC[C@H]2CC[NH2+]C2)C1 ZINC000647546642 384732827 /nfs/dbraw/zinc/73/28/27/384732827.db2.gz TUJVLDPSDZZTQA-TUAOUCFPSA-N 2 3 211.353 0.574 20 0 BCADHP CC[NH2+][C@H](C)CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546798 384734361 /nfs/dbraw/zinc/73/43/61/384734361.db2.gz BTIAGDVDDZHGRM-MROQNXINSA-N 2 3 225.380 0.962 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H](NCC[C@@H]2CC[NH2+]C2)C1 ZINC000647546640 384734380 /nfs/dbraw/zinc/73/43/80/384734380.db2.gz TUJVLDPSDZZTQA-SDDRHHMPSA-N 2 3 211.353 0.574 20 0 BCADHP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CNC1 ZINC000647799301 385800502 /nfs/dbraw/zinc/80/05/02/385800502.db2.gz CYGOZOHEAYZHMG-SDDRHHMPSA-N 2 3 209.337 0.184 20 0 BCADHP CCNCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647799982 385802391 /nfs/dbraw/zinc/80/23/91/385802391.db2.gz VWWORJNWFXPBMW-RWMBFGLXSA-N 2 3 225.380 0.964 20 0 BCADHP CC1([NH3+])CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000647924153 385939736 /nfs/dbraw/zinc/93/97/36/385939736.db2.gz JAKQNUBYYAOWSD-LLVKDONJSA-N 2 3 211.353 0.799 20 0 BCADHP C[C@H]1C[C@@H](C[NH+]2CCC(N)CC2)CC[NH2+]1 ZINC000335447257 386513583 /nfs/dbraw/zinc/51/35/83/386513583.db2.gz BFSSXUKCRBIFMR-QWRGUYRKSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@H]1C[C@@H](CN2CCC([NH3+])CC2)CC[NH2+]1 ZINC000335447257 386513587 /nfs/dbraw/zinc/51/35/87/386513587.db2.gz BFSSXUKCRBIFMR-QWRGUYRKSA-N 2 3 211.353 0.798 20 0 BCADHP CC1([NH2+]CC2CC[NH2+]CC2)CCNCC1 ZINC000335447273 386514218 /nfs/dbraw/zinc/51/42/18/386514218.db2.gz BZUVFHYKFFLNLN-UHFFFAOYSA-N 2 3 211.353 0.718 20 0 BCADHP C[C@H]1CNCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335448344 386516573 /nfs/dbraw/zinc/51/65/73/386516573.db2.gz NFTMWWJIAKWHEW-JQWIXIFHSA-N 2 3 211.353 0.574 20 0 BCADHP C[C@@H]1C[C@H](CN)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000647905021 386583427 /nfs/dbraw/zinc/58/34/27/386583427.db2.gz LLTMALKATFMWDJ-GRYCIOLGSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@H](CN)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000647905021 386583431 /nfs/dbraw/zinc/58/34/31/386583431.db2.gz LLTMALKATFMWDJ-GRYCIOLGSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@H](C[NH3+])CN1CC[C@@H]1CC[NH2+]C1 ZINC000647905021 386583435 /nfs/dbraw/zinc/58/34/35/386583435.db2.gz LLTMALKATFMWDJ-GRYCIOLGSA-N 2 3 211.353 0.655 20 0 BCADHP C[NH2+]CCC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647906387 386626768 /nfs/dbraw/zinc/62/67/68/386626768.db2.gz ZTVJPRKWJCPKTJ-CYBMUJFWSA-N 2 3 225.380 0.917 20 0 BCADHP C[NH2+]CCCN(C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415129374 386635647 /nfs/dbraw/zinc/63/56/47/386635647.db2.gz UNTBKIHPARXERB-NWDGAFQWSA-N 2 3 213.369 0.916 20 0 BCADHP CNCCC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415129374 386635650 /nfs/dbraw/zinc/63/56/50/386635650.db2.gz UNTBKIHPARXERB-NWDGAFQWSA-N 2 3 213.369 0.916 20 0 BCADHP CNCCC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415129374 386635654 /nfs/dbraw/zinc/63/56/54/386635654.db2.gz UNTBKIHPARXERB-NWDGAFQWSA-N 2 3 213.369 0.916 20 0 BCADHP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCN2)CC[NH2+]1 ZINC000414821510 386678286 /nfs/dbraw/zinc/67/82/86/386678286.db2.gz CIECSPCQWSYGRK-IJLUTSLNSA-N 2 3 211.353 0.716 20 0 BCADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCNC12CCC2 ZINC000530216143 388630524 /nfs/dbraw/zinc/63/05/24/388630524.db2.gz MWLBXMSQZHACCF-GHMZBOCLSA-N 2 3 211.353 0.988 20 0 BCADHP C[C@H](N)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240789 388637714 /nfs/dbraw/zinc/63/77/14/388637714.db2.gz NVNYPRPDQIVRCI-AAEUAGOBSA-N 2 3 241.379 0.424 20 0 BCADHP C[C@@H]1C[C@@H](C[NH3+])CN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662263403 409555990 /nfs/dbraw/zinc/55/59/90/409555990.db2.gz ARNAOUXCCJMYKQ-WOPDTQHZSA-N 2 3 239.363 0.177 20 0 BCADHP [NH3+]CC1(CC[NH2+][C@H]2CCCNCC2)CC1 ZINC000650714220 410347174 /nfs/dbraw/zinc/34/71/74/410347174.db2.gz WGRFIJWWRJWIQU-NSHDSACASA-N 2 3 211.353 0.847 20 0 BCADHP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CNC1 ZINC000656200135 411203820 /nfs/dbraw/zinc/20/38/20/411203820.db2.gz KAALENXZAJDGBC-JBLDHEPKSA-N 2 3 211.353 0.524 20 0 BCADHP C[C@@H]1CCCN(CCOCC[NH3+])[C@H]1CC[NH3+] ZINC000652355972 411215050 /nfs/dbraw/zinc/21/50/50/411215050.db2.gz OIPUSRZBZGEIRO-NEPJUHHUSA-N 2 3 229.368 0.411 20 0 BCADHP CC[N@@H+]1CC[C@@H](N(C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073352 170009903 /nfs/dbraw/zinc/00/99/03/170009903.db2.gz LHANYNIRJFECJS-CHWSQXEVSA-N 2 3 243.395 0.624 20 0 BCADHP CC[N@H+]1CC[C@@H](N(C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073352 170009904 /nfs/dbraw/zinc/00/99/04/170009904.db2.gz LHANYNIRJFECJS-CHWSQXEVSA-N 2 3 243.395 0.624 20 0 BCADHP CC[NH2+]CC1CCN(CCC[NH2+]C)CC1 ZINC000336716772 170111194 /nfs/dbraw/zinc/11/11/94/170111194.db2.gz WLBBWGGOOQOORZ-UHFFFAOYSA-N 2 3 213.369 0.917 20 0 BCADHP C[C@@H]1C[NH2+]CC[C@H]1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000663496696 411670686 /nfs/dbraw/zinc/67/06/86/411670686.db2.gz HXMKUNNOKWYEGL-LVEVGFFFSA-N 2 3 209.337 0.039 20 0 BCADHP C([NH2+]CC12CC(C1)CN2)C1CC[NH2+]CC1 ZINC000663497610 411678859 /nfs/dbraw/zinc/67/88/59/411678859.db2.gz IHJRLINDUKMYAY-UHFFFAOYSA-N 2 3 209.337 0.328 20 0 BCADHP C(NCC12CC(C1)C[NH2+]2)C1CC[NH2+]CC1 ZINC000663497610 411678862 /nfs/dbraw/zinc/67/88/62/411678862.db2.gz IHJRLINDUKMYAY-UHFFFAOYSA-N 2 3 209.337 0.328 20 0 BCADHP CC(C)[C@H](N)CC[NH2+]CC1CC[NH2+]CC1 ZINC000663499693 411683522 /nfs/dbraw/zinc/68/35/22/411683522.db2.gz KUOPAHQLGULHRC-GFCCVEGCSA-N 2 3 213.369 0.949 20 0 BCADHP [NH3+]CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662236522 412034800 /nfs/dbraw/zinc/03/48/00/412034800.db2.gz ZHNMRBUKTXYUPA-LBPRGKRZSA-N 2 3 239.363 0.178 20 0 BCADHP OCC1(NCCC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000662285984 412076480 /nfs/dbraw/zinc/07/64/80/412076480.db2.gz DPAMQVJJOPBJNW-UHFFFAOYSA-N 2 3 241.379 0.080 20 0 BCADHP COC[C@H](CCC[NH3+])NCC[C@@H]([NH3+])C(C)C ZINC000665281652 412225780 /nfs/dbraw/zinc/22/57/80/412225780.db2.gz JGJJONHETBHXHJ-NWDGAFQWSA-N 2 3 231.384 0.703 20 0 BCADHP COC[C@@H](CCC[NH3+])NCC[C@@H]([NH3+])C(C)C ZINC000665281653 412226446 /nfs/dbraw/zinc/22/64/46/412226446.db2.gz JGJJONHETBHXHJ-VXGBXAGGSA-N 2 3 231.384 0.703 20 0 BCADHP C[C@@H]1CN(CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000309771426 176285681 /nfs/dbraw/zinc/28/56/81/176285681.db2.gz KNVPLRFXWKCQTQ-PWSUYJOCSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1N ZINC000309771426 176285682 /nfs/dbraw/zinc/28/56/82/176285682.db2.gz KNVPLRFXWKCQTQ-PWSUYJOCSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1N ZINC000309771426 176285684 /nfs/dbraw/zinc/28/56/84/176285684.db2.gz KNVPLRFXWKCQTQ-PWSUYJOCSA-N 2 3 211.353 0.655 20 0 BCADHP C(N[C@H]1CC12CC[NH2+]CC2)[C@]12C[C@H]1C[NH2+]C2 ZINC000663217980 487877084 /nfs/dbraw/zinc/87/70/84/487877084.db2.gz UZVJOVHJUNKMSR-GMXVVIOVSA-N 2 3 221.348 0.328 20 0 BCADHP C[C@H](N)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363661 487932773 /nfs/dbraw/zinc/93/27/73/487932773.db2.gz KOMNAMJLGPDRNB-UMSGYPCISA-N 2 3 241.379 0.694 20 0 BCADHP C[C@H](N)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363661 487932776 /nfs/dbraw/zinc/93/27/76/487932776.db2.gz KOMNAMJLGPDRNB-UMSGYPCISA-N 2 3 241.379 0.694 20 0 BCADHP [NH3+]CCOCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000566244387 326021536 /nfs/dbraw/zinc/02/15/36/326021536.db2.gz YCIOWYXUFCWCDF-QJPTWQEYSA-N 2 3 227.352 0.021 20 0 BCADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461222 584611769 /nfs/dbraw/zinc/61/17/69/584611769.db2.gz MQXPLNJSYQAOPR-LTHFHKMSSA-N 2 3 235.375 0.985 20 0 BCADHP C[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000903424896 584765450 /nfs/dbraw/zinc/76/54/50/584765450.db2.gz KSXPDBGFSXBKMN-WHOHXGKFSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1N ZINC000903424896 584765452 /nfs/dbraw/zinc/76/54/52/584765452.db2.gz KSXPDBGFSXBKMN-WHOHXGKFSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1N ZINC000903424896 584765453 /nfs/dbraw/zinc/76/54/53/584765453.db2.gz KSXPDBGFSXBKMN-WHOHXGKFSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000903447324 584770864 /nfs/dbraw/zinc/77/08/64/584770864.db2.gz OKUHIPSJKSECEI-HTOAHKCRSA-N 2 3 237.391 0.901 20 0 BCADHP [NH3+][C@@H]1CC[C@H](CN2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903449981 584771843 /nfs/dbraw/zinc/77/18/43/584771843.db2.gz ZBRPCPIYEZFNBY-XQQFMLRXSA-N 2 3 223.364 0.799 20 0 BCADHP N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903839454 584807201 /nfs/dbraw/zinc/80/72/01/584807201.db2.gz LCZYFXGNAJOBBQ-YYHQMBLXSA-N 2 3 223.364 0.925 20 0 BCADHP N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903839454 584807202 /nfs/dbraw/zinc/80/72/02/584807202.db2.gz LCZYFXGNAJOBBQ-YYHQMBLXSA-N 2 3 223.364 0.925 20 0 BCADHP NC[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873511 584816235 /nfs/dbraw/zinc/81/62/35/584816235.db2.gz IZEIIAIFIDDISW-ODWCKFRGSA-N 2 3 223.364 0.798 20 0 BCADHP NC[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873511 584816236 /nfs/dbraw/zinc/81/62/36/584816236.db2.gz IZEIIAIFIDDISW-ODWCKFRGSA-N 2 3 223.364 0.798 20 0 BCADHP [NH3+]C[C@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873511 584816237 /nfs/dbraw/zinc/81/62/37/584816237.db2.gz IZEIIAIFIDDISW-ODWCKFRGSA-N 2 3 223.364 0.798 20 0 BCADHP CN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC([NH3+])C1 ZINC000903918406 584822280 /nfs/dbraw/zinc/82/22/80/584822280.db2.gz YSWYQDCIMHZGMV-ACDMLXGOSA-N 2 3 223.364 0.939 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CCNC[C@@]1(C)CC[NH2+]C1 ZINC000903979001 584833232 /nfs/dbraw/zinc/83/32/32/584833232.db2.gz RQHBKVDKBJGBQU-JHJVBQTASA-N 2 3 225.380 0.821 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CCNC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000903979250 584833544 /nfs/dbraw/zinc/83/35/44/584833544.db2.gz ZLWSVYYXVYSOTC-FDYHWXHSSA-N 2 3 223.364 0.431 20 0 BCADHP C[C@@H]1CNC[C@H]1[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000903963703 584833630 /nfs/dbraw/zinc/83/36/30/584833630.db2.gz GLFBJNFFACWDBB-NOOOWODRSA-N 2 3 211.353 0.572 20 0 BCADHP C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000903964747 584834059 /nfs/dbraw/zinc/83/40/59/584834059.db2.gz POLDFPNEWQJIQX-KSSYENDESA-N 2 3 223.364 0.572 20 0 BCADHP C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000903964749 584834555 /nfs/dbraw/zinc/83/45/55/584834555.db2.gz POLDFPNEWQJIQX-SYLRKERUSA-N 2 3 223.364 0.572 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000904350101 584868885 /nfs/dbraw/zinc/86/88/85/584868885.db2.gz IAAOXPDNYIXSIS-FRRDWIJNSA-N 2 3 223.364 0.799 20 0 BCADHP C[C@]1(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCCNC1 ZINC000904354935 584870654 /nfs/dbraw/zinc/87/06/54/584870654.db2.gz HHVBLIOZGLLECP-TUAOUCFPSA-N 2 3 211.353 0.703 20 0 BCADHP C[C@H]1C[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)CCN1 ZINC000904355398 584870841 /nfs/dbraw/zinc/87/08/41/584870841.db2.gz NBQNICMXBGLZIK-AAEUAGOBSA-N 2 3 240.395 0.140 20 0 BCADHP C[C@H](CC[NH3+])NCc1ccc(C[NH3+])cc1 ZINC000904355384 584870854 /nfs/dbraw/zinc/87/08/54/584870854.db2.gz MYFNGRKCINNVAI-SNVBAGLBSA-N 2 3 207.321 0.972 20 0 BCADHP C[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH3+])CC2)CCN1 ZINC000904355399 584871011 /nfs/dbraw/zinc/87/10/11/584871011.db2.gz NBQNICMXBGLZIK-DGCLKSJQSA-N 2 3 240.395 0.140 20 0 BCADHP C[C@H](N)C[C@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904374771 584874332 /nfs/dbraw/zinc/87/43/32/584874332.db2.gz WPZKZEXCGLVMJF-QWRGUYRKSA-N 2 3 228.384 0.125 20 0 BCADHP C[C@@]1(CNCCOCCC[NH3+])CCC[NH2+]C1 ZINC000904381882 584877142 /nfs/dbraw/zinc/87/71/42/584877142.db2.gz WXVAWKDJPIPWSN-GFCCVEGCSA-N 2 3 229.368 0.331 20 0 BCADHP C[C@@]1(C[NH2+]CCOCCC[NH3+])CCCNC1 ZINC000904381882 584877143 /nfs/dbraw/zinc/87/71/43/584877143.db2.gz WXVAWKDJPIPWSN-GFCCVEGCSA-N 2 3 229.368 0.331 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[NH2+][C@@]23CCC[C@H]2NCC3)C1 ZINC000904384696 584877440 /nfs/dbraw/zinc/87/74/40/584877440.db2.gz MEBUZRGPAKAOEN-WRWGMCAJSA-N 2 3 209.337 0.598 20 0 BCADHP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CN ZINC000904419415 584882103 /nfs/dbraw/zinc/88/21/03/584882103.db2.gz VDRZOBBTUJSSRH-MROQNXINSA-N 2 3 225.380 0.901 20 0 BCADHP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CN ZINC000904419415 584882105 /nfs/dbraw/zinc/88/21/05/584882105.db2.gz VDRZOBBTUJSSRH-MROQNXINSA-N 2 3 225.380 0.901 20 0 BCADHP C[C@]12C[NH2+]C[C@H]1CN(CC1CC[NH2+]CC1)C2 ZINC000872148859 589884895 /nfs/dbraw/zinc/88/48/95/589884895.db2.gz IKBUGRHTIXXMEG-QWHCGFSZSA-N 2 3 223.364 0.527 20 0 BCADHP C[C@]12C[NH2+]C[C@H]1CN(CC[C@H]1CC[NH2+]C1)C2 ZINC000872153639 589885053 /nfs/dbraw/zinc/88/50/53/589885053.db2.gz FNRNIUVCAJDIJV-FRRDWIJNSA-N 2 3 223.364 0.527 20 0 BCADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC12CC(C1)CN2 ZINC000873212646 589996981 /nfs/dbraw/zinc/99/69/81/589996981.db2.gz OBDRDTQVAJIBHL-HGVNPNRVSA-N 2 3 235.375 0.844 20 0 BCADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCC12CC(C1)C[NH2+]2 ZINC000873212646 589996984 /nfs/dbraw/zinc/99/69/84/589996984.db2.gz OBDRDTQVAJIBHL-HGVNPNRVSA-N 2 3 235.375 0.844 20 0 BCADHP C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000873248688 590007538 /nfs/dbraw/zinc/00/75/38/590007538.db2.gz DOJLAMDPNRNJCK-WYUUTHIRSA-N 2 3 211.353 0.844 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000873251209 590007932 /nfs/dbraw/zinc/00/79/32/590007932.db2.gz KGLJNMWLYHXWJE-XQHKEYJVSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000873251209 590007934 /nfs/dbraw/zinc/00/79/34/590007934.db2.gz KGLJNMWLYHXWJE-XQHKEYJVSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000873251209 590007936 /nfs/dbraw/zinc/00/79/36/590007936.db2.gz KGLJNMWLYHXWJE-XQHKEYJVSA-N 2 3 223.364 0.940 20 0 BCADHP C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250897 590008348 /nfs/dbraw/zinc/00/83/48/590008348.db2.gz RJMRALJIXPPOII-WYUUTHIRSA-N 2 3 211.353 0.701 20 0 BCADHP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CNC1 ZINC000873261720 590014426 /nfs/dbraw/zinc/01/44/26/590014426.db2.gz RBFHTKWWENWISM-VCDKRKBESA-N 2 3 223.364 0.715 20 0 BCADHP C[NH2+]CCOCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925717651 634455276 /nfs/dbraw/zinc/45/52/76/634455276.db2.gz CNOWFQXCZOZOGU-MNOVXSKESA-N 2 3 227.352 0.082 20 0 BCADHP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H](O)CN ZINC000923366131 644378959 /nfs/dbraw/zinc/37/89/59/644378959.db2.gz JSJBLWURQHWXJH-WVMKXHBISA-N 2 3 241.379 0.159 20 0 BCADHP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H](O)CN ZINC000923366131 644378966 /nfs/dbraw/zinc/37/89/66/644378966.db2.gz JSJBLWURQHWXJH-WVMKXHBISA-N 2 3 241.379 0.159 20 0 BCADHP CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H](O)C[NH3+] ZINC000923366131 644378970 /nfs/dbraw/zinc/37/89/70/644378970.db2.gz JSJBLWURQHWXJH-WVMKXHBISA-N 2 3 241.379 0.159 20 0 BCADHP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923422365 644420641 /nfs/dbraw/zinc/42/06/41/644420641.db2.gz QMELLYIFTLZILA-AXFHLTTASA-N 2 3 239.363 0.080 20 0 BCADHP CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923422365 644420642 /nfs/dbraw/zinc/42/06/42/644420642.db2.gz QMELLYIFTLZILA-AXFHLTTASA-N 2 3 239.363 0.080 20 0 BCADHP C[C@H](C[C@H](C)[NH3+])NCCN1CCC([NH3+])CC1 ZINC000925817456 646493308 /nfs/dbraw/zinc/49/33/08/646493308.db2.gz SMXHRCWOVRCGIY-WDEREUQCSA-N 2 3 228.384 0.125 20 0 BCADHP C[C@@H]([NH3+])C[C@@H](C)NCCN1CCC([NH3+])CC1 ZINC000925817453 646494212 /nfs/dbraw/zinc/49/42/12/646494212.db2.gz SMXHRCWOVRCGIY-GHMZBOCLSA-N 2 3 228.384 0.125 20 0 BCADHP CC(C)[C@H](CN)C[NH2+][C@H](C)CCC[NH3+] ZINC000634995382 345184454 /nfs/dbraw/zinc/18/44/54/345184454.db2.gz CFUDIZNZAHUSBL-GHMZBOCLSA-N 2 3 201.358 0.934 20 0 BCADHP C[NH2+]CCOCCN(C)C[C@@H](C[NH3+])C(C)C ZINC000634996973 345193569 /nfs/dbraw/zinc/19/35/69/345193569.db2.gz AHINEHMBRBZNMM-GFCCVEGCSA-N 2 3 231.384 0.385 20 0 BCADHP CC(C)[C@@H](C[NH3+])CN(C)CCOCC[NH3+] ZINC000634997333 345195756 /nfs/dbraw/zinc/19/57/56/345195756.db2.gz JGNZUENQMDUWSY-NSHDSACASA-N 2 3 217.357 0.124 20 0 BCADHP C[NH2+]CCCN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337366 192213761 /nfs/dbraw/zinc/21/37/61/192213761.db2.gz WUAOEDCKQNFIIO-QWHCGFSZSA-N 2 3 225.380 0.917 20 0 BCADHP CNCCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337366 192213763 /nfs/dbraw/zinc/21/37/63/192213763.db2.gz WUAOEDCKQNFIIO-QWHCGFSZSA-N 2 3 225.380 0.917 20 0 BCADHP CNCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337366 192213764 /nfs/dbraw/zinc/21/37/64/192213764.db2.gz WUAOEDCKQNFIIO-QWHCGFSZSA-N 2 3 225.380 0.917 20 0 BCADHP CN(CC[C@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000420338544 192216173 /nfs/dbraw/zinc/21/61/73/192216173.db2.gz RWMDWIIDTOFZAC-VOMCLLRMSA-N 2 3 211.353 0.798 20 0 BCADHP C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CC(N)C1 ZINC000420338544 192216175 /nfs/dbraw/zinc/21/61/75/192216175.db2.gz RWMDWIIDTOFZAC-VOMCLLRMSA-N 2 3 211.353 0.798 20 0 BCADHP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC(N)C1 ZINC000420338544 192216177 /nfs/dbraw/zinc/21/61/77/192216177.db2.gz RWMDWIIDTOFZAC-VOMCLLRMSA-N 2 3 211.353 0.798 20 0 BCADHP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000583084340 357475228 /nfs/dbraw/zinc/47/52/28/357475228.db2.gz OZHXXXKLLFUEFD-UTUOFQBUSA-N 2 3 209.337 0.137 20 0 BCADHP COC[C@H](CCC[NH3+])[NH2+]CCCN1CCCC1 ZINC000234782870 357829019 /nfs/dbraw/zinc/82/90/19/357829019.db2.gz LVSCWJBBIGJCIW-ZDUSSCGKSA-N 2 3 243.395 0.816 20 0 BCADHP COC[C@H](CCC[NH3+])NCCC[NH+]1CCCC1 ZINC000234782870 357829025 /nfs/dbraw/zinc/82/90/25/357829025.db2.gz LVSCWJBBIGJCIW-ZDUSSCGKSA-N 2 3 243.395 0.816 20 0 BCADHP CC[N@@H+]1CC[C@H](NCCOCC[NH2+]C)[C@H](C)C1 ZINC000629528918 361138241 /nfs/dbraw/zinc/13/82/41/361138241.db2.gz MYTDZTBYENLHDG-OLZOCXBDSA-N 2 3 243.395 0.542 20 0 BCADHP CC[N@H+]1CC[C@H](NCCOCC[NH2+]C)[C@H](C)C1 ZINC000629528918 361138245 /nfs/dbraw/zinc/13/82/45/361138245.db2.gz MYTDZTBYENLHDG-OLZOCXBDSA-N 2 3 243.395 0.542 20 0 BCADHP C[NH2+]CCOCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000629531404 361149303 /nfs/dbraw/zinc/14/93/03/361149303.db2.gz KBVBBLUIOHNLET-QWRGUYRKSA-N 2 3 215.341 0.082 20 0 BCADHP C[C@H](C[C@H]1CCC[NH2+]1)NCCOCCC[NH3+] ZINC000629677877 361601087 /nfs/dbraw/zinc/60/10/87/361601087.db2.gz IKJDCLRDKKVMNP-VXGBXAGGSA-N 2 3 229.368 0.472 20 0 BCADHP C[C@H]1CC[C@H](NC2CCC([NH3+])CC2)C[NH2+]1 ZINC000398951106 364279126 /nfs/dbraw/zinc/27/91/26/364279126.db2.gz CALNDIXVCQKWJW-XKGSQUFQSA-N 2 3 211.353 0.986 20 0 BCADHP C[NH2+]C[C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000573445404 364834906 /nfs/dbraw/zinc/83/49/06/364834906.db2.gz VEIBTKZVHDWSEP-OLZOCXBDSA-N 2 3 225.380 0.917 20 0 BCADHP C[NH2+]C[C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000573445407 364835446 /nfs/dbraw/zinc/83/54/46/364835446.db2.gz VEIBTKZVHDWSEP-STQMWFEESA-N 2 3 225.380 0.917 20 0 BCADHP C[NH2+]C[C@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000575312993 365285604 /nfs/dbraw/zinc/28/56/04/365285604.db2.gz RDIPTFSMVHCITG-CYBMUJFWSA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000575312993 365285609 /nfs/dbraw/zinc/28/56/09/365285609.db2.gz RDIPTFSMVHCITG-CYBMUJFWSA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000575312993 365285614 /nfs/dbraw/zinc/28/56/14/365285614.db2.gz RDIPTFSMVHCITG-CYBMUJFWSA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000581309961 367337986 /nfs/dbraw/zinc/33/79/86/367337986.db2.gz AIDILBIFBIOVTJ-AVGNSLFASA-N 2 3 225.380 0.916 20 0 BCADHP CNC[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000581309961 367337991 /nfs/dbraw/zinc/33/79/91/367337991.db2.gz AIDILBIFBIOVTJ-AVGNSLFASA-N 2 3 225.380 0.916 20 0 BCADHP C[C@H]([NH3+])[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000309833360 370259483 /nfs/dbraw/zinc/25/94/83/370259483.db2.gz ZFPMKYQWZAJWRZ-WDEREUQCSA-N 2 3 215.341 0.021 20 0 BCADHP [NH3+][C@]12CCC[C@@H]1CN(CC1CC[NH2+]CC1)C2 ZINC000621777483 370526870 /nfs/dbraw/zinc/52/68/70/370526870.db2.gz CYFWDHPMYWEGFW-OLZOCXBDSA-N 2 3 223.364 0.799 20 0 BCADHP CC[NH2+]CCN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546370 384731024 /nfs/dbraw/zinc/73/10/24/384731024.db2.gz HTBKSEKWYLKKFK-GRYCIOLGSA-N 2 3 211.353 0.574 20 0 BCADHP CC[NH2+]CCN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546374 384731694 /nfs/dbraw/zinc/73/16/94/384731694.db2.gz HTBKSEKWYLKKFK-SDDRHHMPSA-N 2 3 211.353 0.574 20 0 BCADHP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCNC1 ZINC000647546710 384733368 /nfs/dbraw/zinc/73/33/68/384733368.db2.gz XHASCUMQPLOKDT-AAVRWANBSA-N 2 3 237.391 0.964 20 0 BCADHP C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547113 384737075 /nfs/dbraw/zinc/73/70/75/384737075.db2.gz OHHIPMLNGUZNJW-HTOAHKCRSA-N 2 3 237.391 0.962 20 0 BCADHP C[C@H](CN)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547510 384739269 /nfs/dbraw/zinc/73/92/69/384739269.db2.gz YCVCZHRHQZBOEM-NOOOWODRSA-N 2 3 211.353 0.559 20 0 BCADHP C[C@@]1(CN[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000647548061 384750286 /nfs/dbraw/zinc/75/02/86/384750286.db2.gz UAONZJUIJTTWGU-VXGBXAGGSA-N 2 3 223.364 0.718 20 0 BCADHP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CNC1 ZINC000647799299 385800564 /nfs/dbraw/zinc/80/05/64/385800564.db2.gz CYGOZOHEAYZHMG-IJLUTSLNSA-N 2 3 209.337 0.184 20 0 BCADHP C[C@@H]([NH3+])CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335275672 386335978 /nfs/dbraw/zinc/33/59/78/386335978.db2.gz CUHODPOUFLMUKJ-GHMZBOCLSA-N 2 3 211.353 0.798 20 0 BCADHP [NH3+]CCCN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774744 386470614 /nfs/dbraw/zinc/47/06/14/386470614.db2.gz FWJXRFOGCQDXQF-NEPJUHHUSA-N 2 3 211.353 0.657 20 0 BCADHP NCCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774744 386470616 /nfs/dbraw/zinc/47/06/16/386470616.db2.gz FWJXRFOGCQDXQF-NEPJUHHUSA-N 2 3 211.353 0.657 20 0 BCADHP NCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774744 386470620 /nfs/dbraw/zinc/47/06/20/386470620.db2.gz FWJXRFOGCQDXQF-NEPJUHHUSA-N 2 3 211.353 0.657 20 0 BCADHP C[C@H]1CNCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335448343 386517514 /nfs/dbraw/zinc/51/75/14/386517514.db2.gz NFTMWWJIAKWHEW-CMPLNLGQSA-N 2 3 211.353 0.574 20 0 BCADHP C[C@]1(C[NH3+])CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000647954734 386682163 /nfs/dbraw/zinc/68/21/63/386682163.db2.gz UPHXJZGKZWLELD-VXGBXAGGSA-N 2 3 211.353 0.657 20 0 BCADHP C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000414842037 386748568 /nfs/dbraw/zinc/74/85/68/386748568.db2.gz OSSLPOQBMOSACT-NEPJUHHUSA-N 2 3 211.353 0.718 20 0 BCADHP C[C@H]1C[C@H](CN(C)C2CC([NH3+])C2)CC[NH2+]1 ZINC000334869593 386928305 /nfs/dbraw/zinc/92/83/05/386928305.db2.gz PMMKNUPFXMQKMH-DMOGRIERSA-N 2 3 211.353 0.796 20 0 BCADHP [NH3+]C[C@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000514603389 387010123 /nfs/dbraw/zinc/01/01/23/387010123.db2.gz HQJUVOBLPZUWBX-NWDGAFQWSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000514603389 387010127 /nfs/dbraw/zinc/01/01/27/387010127.db2.gz HQJUVOBLPZUWBX-NWDGAFQWSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000514603389 387010132 /nfs/dbraw/zinc/01/01/32/387010132.db2.gz HQJUVOBLPZUWBX-NWDGAFQWSA-N 2 3 211.353 0.657 20 0 BCADHP CN(C)CCOCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423072649 387873685 /nfs/dbraw/zinc/87/36/85/387873685.db2.gz QANFBUPJEUHGIJ-UHFFFAOYSA-N 2 3 243.395 0.672 20 0 BCADHP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1N ZINC000516868142 388522768 /nfs/dbraw/zinc/52/27/68/388522768.db2.gz UGPGFXZIKBXYCU-GRYCIOLGSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1N ZINC000516868142 388522769 /nfs/dbraw/zinc/52/27/69/388522769.db2.gz UGPGFXZIKBXYCU-GRYCIOLGSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@H](CCC[NH3+])[NH2+][C@H]1CCNC12CCC2 ZINC000530216144 388630536 /nfs/dbraw/zinc/63/05/36/388630536.db2.gz MWLBXMSQZHACCF-MNOVXSKESA-N 2 3 211.353 0.988 20 0 BCADHP C[C@H](N)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240791 388637698 /nfs/dbraw/zinc/63/76/98/388637698.db2.gz NVNYPRPDQIVRCI-WCQYABFASA-N 2 3 241.379 0.424 20 0 BCADHP [NH3+]CCOCCN1CCCC[C@@H]1CC[NH3+] ZINC000261564170 135206310 /nfs/dbraw/zinc/20/63/10/135206310.db2.gz CIPONYBJCYJONS-LLVKDONJSA-N 2 3 215.341 0.165 20 0 BCADHP C(C1CC[NH2+]CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334320824 135352399 /nfs/dbraw/zinc/35/23/99/135352399.db2.gz HEZWMCVVNYNXEO-CYBMUJFWSA-N 2 3 223.364 0.671 20 0 BCADHP [NH3+]CC1(CC[NH2+][C@@H]2CCCNCC2)CC1 ZINC000650714219 410347824 /nfs/dbraw/zinc/34/78/24/410347824.db2.gz WGRFIJWWRJWIQU-LLVKDONJSA-N 2 3 211.353 0.847 20 0 BCADHP [NH3+]CCCN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724765 410359786 /nfs/dbraw/zinc/35/97/86/410359786.db2.gz LXBQOUJTADYHNN-JHJVBQTASA-N 2 3 241.379 0.696 20 0 BCADHP NC[C@H]1CCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748101 410388238 /nfs/dbraw/zinc/38/82/38/410388238.db2.gz MZVXVJNVJCDSPJ-GHMZBOCLSA-N 2 3 211.353 0.832 20 0 BCADHP N[C@H]1CCC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000656193287 411200833 /nfs/dbraw/zinc/20/08/33/411200833.db2.gz DXOLBRLGCVSSQH-QWRGUYRKSA-N 2 3 211.353 0.975 20 0 BCADHP C[C@H]1CCCN(CCOCC[NH3+])[C@H]1CC[NH3+] ZINC000652355974 411215413 /nfs/dbraw/zinc/21/54/13/411215413.db2.gz OIPUSRZBZGEIRO-RYUDHWBXSA-N 2 3 229.368 0.411 20 0 BCADHP C[C@@H]1C[C@@H](C[NH2+]CC23CC(C2)CN3)CC[NH2+]1 ZINC000663501571 411685725 /nfs/dbraw/zinc/68/57/25/411685725.db2.gz XSAQCDDAFYGPDW-IALDZJHCSA-N 2 3 223.364 0.716 20 0 BCADHP C[C@@H]1C[C@@H](CNCC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663501571 411685728 /nfs/dbraw/zinc/68/57/28/411685728.db2.gz XSAQCDDAFYGPDW-IALDZJHCSA-N 2 3 223.364 0.716 20 0 BCADHP NCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652364132 487933101 /nfs/dbraw/zinc/93/31/01/487933101.db2.gz ZBIBWFNUHDGDTP-TUAOUCFPSA-N 2 3 227.352 0.306 20 0 BCADHP NCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652364132 487933108 /nfs/dbraw/zinc/93/31/08/487933108.db2.gz ZBIBWFNUHDGDTP-TUAOUCFPSA-N 2 3 227.352 0.306 20 0 BCADHP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCNC1 ZINC000565658741 325939592 /nfs/dbraw/zinc/93/95/92/325939592.db2.gz QSIDNHFVPLMJLV-YPMHNXCESA-N 2 3 225.380 0.964 20 0 BCADHP CNC[C@](C)(O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000567478545 326200539 /nfs/dbraw/zinc/20/05/39/326200539.db2.gz YEDXCHFBFQEJRF-ZDUSSCGKSA-N 2 3 243.395 0.278 20 0 BCADHP C[NH2+]CC1CCN(CC2(C[NH3+])CC2)CC1 ZINC000567865179 326273366 /nfs/dbraw/zinc/27/33/66/326273366.db2.gz JSSWBHOTASIUTL-UHFFFAOYSA-N 2 3 211.353 0.657 20 0 BCADHP CN(C[C@@]12C[C@@H]1C[NH2+]C2)C1CCC([NH3+])CC1 ZINC000853245760 588728564 /nfs/dbraw/zinc/72/85/64/588728564.db2.gz CJGIEMFRNGQSAA-XVSSEFHLSA-N 2 3 223.364 0.798 20 0 BCADHP CC1(C)CNC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000902447252 584604944 /nfs/dbraw/zinc/60/49/44/584604944.db2.gz XOMKJMYJSBTVEL-LOWDOPEQSA-N 2 3 237.391 0.962 20 0 BCADHP [NH3+]C[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000902485995 584625537 /nfs/dbraw/zinc/62/55/37/584625537.db2.gz DSKWPCYBTJRRGC-FDYHWXHSSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+]C[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000902485995 584625538 /nfs/dbraw/zinc/62/55/38/584625538.db2.gz DSKWPCYBTJRRGC-FDYHWXHSSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000902485995 584625539 /nfs/dbraw/zinc/62/55/39/584625539.db2.gz DSKWPCYBTJRRGC-FDYHWXHSSA-N 2 3 223.364 0.940 20 0 BCADHP C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](C[NH3+])C1)[NH2+]2 ZINC000902487537 584626246 /nfs/dbraw/zinc/62/62/46/584626246.db2.gz JRMBEVVDXBYPRZ-MCDVFOBDSA-N 2 3 223.364 0.842 20 0 BCADHP [NH3+]CC12CC(C1)CN2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464085 584767289 /nfs/dbraw/zinc/76/72/89/584767289.db2.gz YUFKSIADGNFTKW-ZYGVAYEYSA-N 2 3 209.337 0.537 20 0 BCADHP CC1(C)CNC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000903821277 584803838 /nfs/dbraw/zinc/80/38/38/584803838.db2.gz JABILLOLQAWFOI-LLVKDONJSA-N 2 3 211.353 0.574 20 0 BCADHP N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000903842964 584807514 /nfs/dbraw/zinc/80/75/14/584807514.db2.gz YWHJGLPTXDOVSE-VOAKCMCISA-N 2 3 223.364 0.798 20 0 BCADHP N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000903842964 584807515 /nfs/dbraw/zinc/80/75/15/584807515.db2.gz YWHJGLPTXDOVSE-VOAKCMCISA-N 2 3 223.364 0.798 20 0 BCADHP NC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903873877 584815771 /nfs/dbraw/zinc/81/57/71/584815771.db2.gz NAILQUXYDCTJQN-VGPLMAKISA-N 2 3 223.364 0.940 20 0 BCADHP C[N@H+](CCCN)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874222 584815893 /nfs/dbraw/zinc/81/58/93/584815893.db2.gz VNFAFLCLXVYREO-YOGCLGLASA-N 2 3 211.353 0.798 20 0 BCADHP C[N@@H+](CCCN)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874222 584815894 /nfs/dbraw/zinc/81/58/94/584815894.db2.gz VNFAFLCLXVYREO-YOGCLGLASA-N 2 3 211.353 0.798 20 0 BCADHP CN(CCC[NH3+])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874222 584815895 /nfs/dbraw/zinc/81/58/95/584815895.db2.gz VNFAFLCLXVYREO-YOGCLGLASA-N 2 3 211.353 0.798 20 0 BCADHP NC[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873512 584816047 /nfs/dbraw/zinc/81/60/47/584816047.db2.gz IZEIIAIFIDDISW-WODVXLOZSA-N 2 3 223.364 0.798 20 0 BCADHP NC[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873512 584816048 /nfs/dbraw/zinc/81/60/48/584816048.db2.gz IZEIIAIFIDDISW-WODVXLOZSA-N 2 3 223.364 0.798 20 0 BCADHP [NH3+]C[C@@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873512 584816050 /nfs/dbraw/zinc/81/60/50/584816050.db2.gz IZEIIAIFIDDISW-WODVXLOZSA-N 2 3 223.364 0.798 20 0 BCADHP C([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCN1 ZINC000903918408 584822335 /nfs/dbraw/zinc/82/23/35/584822335.db2.gz YVLNIQCQHSFREH-PSEXLTFBSA-N 2 3 223.364 0.859 20 0 BCADHP C[NH2+]C[C@@H](C)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932724 584824725 /nfs/dbraw/zinc/82/47/25/584824725.db2.gz GBLJLXKKQZJPPG-WAAKLRNESA-N 2 3 211.353 0.715 20 0 BCADHP CNCCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918104 584826933 /nfs/dbraw/zinc/82/69/33/584826933.db2.gz RVLLLKQQRDSCTI-YOGCLGLASA-N 2 3 211.353 0.716 20 0 BCADHP C[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1CC[NH3+] ZINC000903978097 584832897 /nfs/dbraw/zinc/83/28/97/584832897.db2.gz FJFWHCFTDVQIBU-LPWJVIDDSA-N 2 3 223.364 0.513 20 0 BCADHP C[C@@H]([NH3+])[C@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299899 584860437 /nfs/dbraw/zinc/86/04/37/584860437.db2.gz QWYALPGGHDZLFD-WYUUTHIRSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H](N)[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299899 584860438 /nfs/dbraw/zinc/86/04/38/584860438.db2.gz QWYALPGGHDZLFD-WYUUTHIRSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H](N)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299899 584860440 /nfs/dbraw/zinc/86/04/40/584860440.db2.gz QWYALPGGHDZLFD-WYUUTHIRSA-N 2 3 211.353 0.783 20 0 BCADHP CCN(C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326660 584865098 /nfs/dbraw/zinc/86/50/98/584865098.db2.gz PQKIPJZXFHFDSB-RWMBFGLXSA-N 2 3 225.380 0.997 20 0 BCADHP CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326660 584865100 /nfs/dbraw/zinc/86/51/00/584865100.db2.gz PQKIPJZXFHFDSB-RWMBFGLXSA-N 2 3 225.380 0.997 20 0 BCADHP CC[N@H+](C)C[C@@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326660 584865101 /nfs/dbraw/zinc/86/51/01/584865101.db2.gz PQKIPJZXFHFDSB-RWMBFGLXSA-N 2 3 225.380 0.997 20 0 BCADHP CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326660 584865104 /nfs/dbraw/zinc/86/51/04/584865104.db2.gz PQKIPJZXFHFDSB-RWMBFGLXSA-N 2 3 225.380 0.997 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000904351626 584869567 /nfs/dbraw/zinc/86/95/67/584869567.db2.gz ZVXROMFAWNNXOD-GRYCIOLGSA-N 2 3 209.337 0.409 20 0 BCADHP [NH3+]CC[C@@H]1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000904407596 584879270 /nfs/dbraw/zinc/87/92/70/584879270.db2.gz XDEZAWGLLQZOLC-UTUOFQBUSA-N 2 3 209.337 0.267 20 0 BCADHP [NH3+]CCCNCc1ccc(CC[NH3+])cc1 ZINC000841034118 587937217 /nfs/dbraw/zinc/93/72/17/587937217.db2.gz WDFFVTQPNKEGRI-UHFFFAOYSA-N 2 3 207.321 0.626 20 0 BCADHP C[C@@H]1C[C@H](CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]1 ZINC000873228997 590000872 /nfs/dbraw/zinc/00/08/72/590000872.db2.gz NAIURGVKBYRUCZ-YIYPIFLZSA-N 2 3 237.391 0.916 20 0 BCADHP NC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248427 590006901 /nfs/dbraw/zinc/00/69/01/590006901.db2.gz ACJQWYPENUOAIO-WYUUTHIRSA-N 2 3 211.353 0.831 20 0 BCADHP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000873255970 590010915 /nfs/dbraw/zinc/01/09/15/590010915.db2.gz KGLJNMWLYHXWJE-FDYHWXHSSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000873255970 590010918 /nfs/dbraw/zinc/01/09/18/590010918.db2.gz KGLJNMWLYHXWJE-FDYHWXHSSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000873255970 590010921 /nfs/dbraw/zinc/01/09/21/590010921.db2.gz KGLJNMWLYHXWJE-FDYHWXHSSA-N 2 3 223.364 0.940 20 0 BCADHP CC[C@H](NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000873257762 590012141 /nfs/dbraw/zinc/01/21/41/590012141.db2.gz XBTBGHSHSSDCID-BJDJZHNGSA-N 2 3 211.353 0.844 20 0 BCADHP CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCN1 ZINC000873257762 590012143 /nfs/dbraw/zinc/01/21/43/590012143.db2.gz XBTBGHSHSSDCID-BJDJZHNGSA-N 2 3 211.353 0.844 20 0 BCADHP [NH3+][C@@H]1C[C@@H](N[C@H]2CC23CC[NH2+]CC3)C12CCC2 ZINC000925709730 634408090 /nfs/dbraw/zinc/40/80/90/634408090.db2.gz QCZXZNQTYCGKIS-UTUOFQBUSA-N 2 3 235.375 0.988 20 0 BCADHP [NH3+][C@H]1C[C@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925726709 634522836 /nfs/dbraw/zinc/52/28/36/634522836.db2.gz KCXLXWKAKQRDRB-UJPLBGJFSA-N 2 3 221.348 0.310 20 0 BCADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCNCC1 ZINC000925688776 634306824 /nfs/dbraw/zinc/30/68/24/634306824.db2.gz FMBDDNDGAHWDRU-UYVFGJEYSA-N 2 3 223.364 0.844 20 0 BCADHP [NH3+][C@@H]1C[C@@H](NCC2=CC[NH2+]CC2)C12CCC2 ZINC000925696785 634357538 /nfs/dbraw/zinc/35/75/38/634357538.db2.gz AUOATNHNANCBQN-VXGBXAGGSA-N 2 3 221.348 0.766 20 0 BCADHP N[C@@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C12CCC2 ZINC000925696785 634357547 /nfs/dbraw/zinc/35/75/47/634357547.db2.gz AUOATNHNANCBQN-VXGBXAGGSA-N 2 3 221.348 0.766 20 0 BCADHP [NH3+]CC[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310523116 636266037 /nfs/dbraw/zinc/26/60/37/636266037.db2.gz MKBMVUHXDGADAK-CHWSQXEVSA-N 2 3 241.379 0.114 20 0 BCADHP NC1CC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000906511495 638186066 /nfs/dbraw/zinc/18/60/66/638186066.db2.gz XVSPKPSUHZJDHM-FYYRKSLSSA-N 2 3 209.337 0.454 20 0 BCADHP C[C@@](C[NH3+])(NC[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923295966 644332227 /nfs/dbraw/zinc/33/22/27/644332227.db2.gz LQSJXTVJQNJFRQ-NEPJUHHUSA-N 2 3 239.363 0.082 20 0 BCADHP CC(C)(C)[C@@H](C[NH3+])NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923369105 644380541 /nfs/dbraw/zinc/38/05/41/644380541.db2.gz VXSNTQOERVERFT-GHMZBOCLSA-N 2 3 241.379 0.328 20 0 BCADHP C[NH+](C)[C@H]1C[C@@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925702640 646426299 /nfs/dbraw/zinc/42/62/99/646426299.db2.gz QAQFVQDOJFLUIF-KQBRZWLDSA-N 2 3 249.402 0.913 20 0 BCADHP [NH3+]C[C@@H]1CC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925707673 646432287 /nfs/dbraw/zinc/43/22/87/646432287.db2.gz MHWBPJQCECHYEP-VWBGDHHKSA-N 2 3 235.375 0.700 20 0 BCADHP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925709688 646435048 /nfs/dbraw/zinc/43/50/48/646435048.db2.gz PSSQIRDJGJWCPP-GRYCIOLGSA-N 2 3 223.364 0.988 20 0 BCADHP [NH3+][C@@H]1CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925879975 646529960 /nfs/dbraw/zinc/52/99/60/646529960.db2.gz NLDFQWBUFDSZHB-ISCIKXKRSA-N 2 3 235.375 0.700 20 0 BCADHP C([C@@H]1CC[NH2+]C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647986637 398228196 /nfs/dbraw/zinc/22/81/96/398228196.db2.gz WJMKPSKUQBKSMF-RDBSUJKOSA-N 2 3 237.391 0.917 20 0 BCADHP C([C@H]1CC[NH2+]C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647986636 398228472 /nfs/dbraw/zinc/22/84/72/398228472.db2.gz WJMKPSKUQBKSMF-MJBXVCDLSA-N 2 3 237.391 0.917 20 0 BCADHP C[C@@H]([NH3+])C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000381708830 398270613 /nfs/dbraw/zinc/27/06/13/398270613.db2.gz JXVFPKCMAOZGIJ-MNOVXSKESA-N 2 3 211.353 0.655 20 0 BCADHP CC1(C)NCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335646122 136243950 /nfs/dbraw/zinc/24/39/50/136243950.db2.gz LSZIBYSBAZSGTG-NSHDSACASA-N 2 3 211.353 0.716 20 0 BCADHP CNC[C@](C)(O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000584177652 343769615 /nfs/dbraw/zinc/76/96/15/343769615.db2.gz IAICKTWMZCUTKV-LBPRGKRZSA-N 2 3 241.379 0.032 20 0 BCADHP C[NH2+]C[C@](C)(O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000584177652 343769617 /nfs/dbraw/zinc/76/96/17/343769617.db2.gz IAICKTWMZCUTKV-LBPRGKRZSA-N 2 3 241.379 0.032 20 0 BCADHP [NH3+][C@]12CCC[C@@H]1CN(CC[C@@H]1CC[NH2+]C1)C2 ZINC000621784313 343909087 /nfs/dbraw/zinc/90/90/87/343909087.db2.gz MXHMIKYVOSEVRB-XQQFMLRXSA-N 2 3 223.364 0.799 20 0 BCADHP COCC1(C[NH2+]CC2(CN)CC2)CC[NH2+]CC1 ZINC000634995591 345185445 /nfs/dbraw/zinc/18/54/45/345185445.db2.gz JSGIJAGVGHVJAN-UHFFFAOYSA-N 2 3 241.379 0.331 20 0 BCADHP CC1(C[NH2+]CC23CC(C2)CN3)CC[NH2+]CC1 ZINC000634995879 345186062 /nfs/dbraw/zinc/18/60/62/345186062.db2.gz RSXFQQGVFSXIHM-UHFFFAOYSA-N 2 3 223.364 0.718 20 0 BCADHP CC(C)[C@@H](CN)C[NH2+]CCC1(C[NH3+])CC1 ZINC000634996300 345187661 /nfs/dbraw/zinc/18/76/61/345187661.db2.gz GAMBBVFKTJDKMU-NSHDSACASA-N 2 3 213.369 0.936 20 0 BCADHP C(C[C@H]1CCC[NH2+]C1)[NH2+]C[C@H]1CCCNC1 ZINC000580715337 346663581 /nfs/dbraw/zinc/66/35/81/346663581.db2.gz YFOOLTZGXQSPOZ-OLZOCXBDSA-N 2 3 225.380 0.965 20 0 BCADHP [NH3+][C@H]1CCC[C@H](NCC2=CC[NH2+]CC2)C1 ZINC000580212465 346686049 /nfs/dbraw/zinc/68/60/49/346686049.db2.gz MNWCSQGITQEYJX-RYUDHWBXSA-N 2 3 209.337 0.766 20 0 BCADHP C[C@H]([NH2+][C@H]1CCNC1)C1CC[NH+](C)CC1 ZINC000396453148 538034683 /nfs/dbraw/zinc/03/46/83/538034683.db2.gz KSAPQFGJIOEMIJ-JQWIXIFHSA-N 2 3 211.353 0.668 20 0 BCADHP N[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000334588777 354216152 /nfs/dbraw/zinc/21/61/52/354216152.db2.gz XKCRJJJICXLCLX-NEPJUHHUSA-N 2 3 211.353 0.799 20 0 BCADHP N[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000334588777 354216155 /nfs/dbraw/zinc/21/61/55/354216155.db2.gz XKCRJJJICXLCLX-NEPJUHHUSA-N 2 3 211.353 0.799 20 0 BCADHP C[NH2+]CCCN(C)CC[C@@H]1CCC[NH2+]C1 ZINC000420393669 192236514 /nfs/dbraw/zinc/23/65/14/192236514.db2.gz YLZIUTPSGAYIHV-LBPRGKRZSA-N 2 3 213.369 0.917 20 0 BCADHP CNCCC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420393669 192236516 /nfs/dbraw/zinc/23/65/16/192236516.db2.gz YLZIUTPSGAYIHV-LBPRGKRZSA-N 2 3 213.369 0.917 20 0 BCADHP CNCCC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420393669 192236518 /nfs/dbraw/zinc/23/65/18/192236518.db2.gz YLZIUTPSGAYIHV-LBPRGKRZSA-N 2 3 213.369 0.917 20 0 BCADHP CC[N@@H+]1CC[C@@H](NCCOCC[NH2+]C)[C@H](C)C1 ZINC000629528917 361137961 /nfs/dbraw/zinc/13/79/61/361137961.db2.gz MYTDZTBYENLHDG-CHWSQXEVSA-N 2 3 243.395 0.542 20 0 BCADHP CC[N@H+]1CC[C@@H](NCCOCC[NH2+]C)[C@H](C)C1 ZINC000629528917 361137963 /nfs/dbraw/zinc/13/79/63/361137963.db2.gz MYTDZTBYENLHDG-CHWSQXEVSA-N 2 3 243.395 0.542 20 0 BCADHP [NH3+]CCCOCCN[C@@H]1CCC[NH2+]CC1 ZINC000629539310 361404777 /nfs/dbraw/zinc/40/47/77/361404777.db2.gz PQGIZYIWDDNMBM-LLVKDONJSA-N 2 3 215.341 0.084 20 0 BCADHP NC[C@H]1CCCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629539226 361404931 /nfs/dbraw/zinc/40/49/31/361404931.db2.gz PADIDZZLWMSGFV-VXGBXAGGSA-N 2 3 229.368 0.459 20 0 BCADHP [NH3+]CCCOCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000629539226 361404934 /nfs/dbraw/zinc/40/49/34/361404934.db2.gz PADIDZZLWMSGFV-VXGBXAGGSA-N 2 3 229.368 0.459 20 0 BCADHP C[C@H]([NH3+])C[C@H](C)NCCOCCC[NH3+] ZINC000629534600 361407220 /nfs/dbraw/zinc/40/72/20/361407220.db2.gz AHDGTHAIUCBEBD-UWVGGRQHSA-N 2 3 203.330 0.067 20 0 BCADHP [NH3+]CCCOCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000629541312 361416624 /nfs/dbraw/zinc/41/66/24/361416624.db2.gz YHWZGLMFKHTRCY-MNOVXSKESA-N 2 3 215.341 0.069 20 0 BCADHP NC[C@H]1CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629541312 361416628 /nfs/dbraw/zinc/41/66/28/361416628.db2.gz YHWZGLMFKHTRCY-MNOVXSKESA-N 2 3 215.341 0.069 20 0 BCADHP C[C@H]1C[C@@H](NCCOCCC[NH3+])CC[N@@H+]1C ZINC000629542477 361419384 /nfs/dbraw/zinc/41/93/84/361419384.db2.gz YVXWCXNAJSNMAT-RYUDHWBXSA-N 2 3 229.368 0.424 20 0 BCADHP C[C@H]1C[C@@H](NCCOCCC[NH3+])CC[N@H+]1C ZINC000629542477 361419390 /nfs/dbraw/zinc/41/93/90/361419390.db2.gz YVXWCXNAJSNMAT-RYUDHWBXSA-N 2 3 229.368 0.424 20 0 BCADHP C[C@]12C[NH2+]C[C@@]1(C)CN(CC1CC[NH2+]CC1)C2 ZINC000629583690 361467857 /nfs/dbraw/zinc/46/78/57/361467857.db2.gz JLAYYLUUMWPLFQ-OKILXGFUSA-N 2 3 237.391 0.917 20 0 BCADHP C[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000629672228 361614308 /nfs/dbraw/zinc/61/43/08/361614308.db2.gz OQNZSFJGBMZTPL-NOOOWODRSA-N 2 3 211.353 0.715 20 0 BCADHP NCCC[N@H+](CCOCC[NH3+])CC1CCCC1 ZINC000357080004 181379907 /nfs/dbraw/zinc/37/99/07/181379907.db2.gz DZWMYGNVWMPDAD-UHFFFAOYSA-N 2 3 243.395 0.803 20 0 BCADHP NCCC[N@@H+](CCOCC[NH3+])CC1CCCC1 ZINC000357080004 181379910 /nfs/dbraw/zinc/37/99/10/181379910.db2.gz DZWMYGNVWMPDAD-UHFFFAOYSA-N 2 3 243.395 0.803 20 0 BCADHP N[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000574219092 365013140 /nfs/dbraw/zinc/01/31/40/365013140.db2.gz NFCODETUVVFJGK-IJLUTSLNSA-N 2 3 211.353 0.846 20 0 BCADHP [NH3+][C@]12CCC[C@H]1CN(CC1CC[NH2+]CC1)C2 ZINC000621777485 370527267 /nfs/dbraw/zinc/52/72/67/370527267.db2.gz CYFWDHPMYWEGFW-STQMWFEESA-N 2 3 223.364 0.799 20 0 BCADHP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1CN ZINC000631838371 372628042 /nfs/dbraw/zinc/62/80/42/372628042.db2.gz NEQAOBYSCUDFFD-CMPLNLGQSA-N 2 3 211.353 0.513 20 0 BCADHP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1CN ZINC000631838371 372628045 /nfs/dbraw/zinc/62/80/45/372628045.db2.gz NEQAOBYSCUDFFD-CMPLNLGQSA-N 2 3 211.353 0.513 20 0 BCADHP CNCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546350 384729028 /nfs/dbraw/zinc/72/90/28/384729028.db2.gz HBDCNUZVEUQSTQ-IJLUTSLNSA-N 2 3 211.353 0.574 20 0 BCADHP CNCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546352 384730463 /nfs/dbraw/zinc/73/04/63/384730463.db2.gz HBDCNUZVEUQSTQ-SDDRHHMPSA-N 2 3 211.353 0.574 20 0 BCADHP C1[NH2+]C[C@H]2CC[C@@H]([NH2+]C3CCNCC3)C[C@@H]12 ZINC000647546404 384731117 /nfs/dbraw/zinc/73/11/17/384731117.db2.gz IUAYSMIJXGCGLM-NTZNESFSSA-N 2 3 223.364 0.716 20 0 BCADHP C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CN1 ZINC000647546792 384733859 /nfs/dbraw/zinc/73/38/59/384733859.db2.gz BMVSODYCIXCVSY-QCNOEVLYSA-N 2 3 209.337 0.326 20 0 BCADHP CCC[NH2+]CCN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546972 384734397 /nfs/dbraw/zinc/73/43/97/384734397.db2.gz IPRGBBRYBXFALX-JHJVBQTASA-N 2 3 225.380 0.964 20 0 BCADHP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCN2)CC1 ZINC000414853279 385686137 /nfs/dbraw/zinc/68/61/37/385686137.db2.gz XIFJGGXBJQWPJT-MCIGGMRASA-N 2 3 211.353 0.846 20 0 BCADHP CCNCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647799983 385802639 /nfs/dbraw/zinc/80/26/39/385802639.db2.gz VWWORJNWFXPBMW-YNEHKIRRSA-N 2 3 225.380 0.964 20 0 BCADHP [NH3+]CCOCC[N@H+](C1CC1)C1CCNCC1 ZINC000647815156 385868354 /nfs/dbraw/zinc/86/83/54/385868354.db2.gz RJXJRQWTEZVZSV-UHFFFAOYSA-N 2 3 227.352 0.178 20 0 BCADHP [NH3+]CCOCC[N@@H+](C1CC1)C1CCNCC1 ZINC000647815156 385868362 /nfs/dbraw/zinc/86/83/62/385868362.db2.gz RJXJRQWTEZVZSV-UHFFFAOYSA-N 2 3 227.352 0.178 20 0 BCADHP NC[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647829669 385878915 /nfs/dbraw/zinc/87/89/15/385878915.db2.gz KNGQIDRSXUURNM-NEPJUHHUSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647829669 385878918 /nfs/dbraw/zinc/87/89/18/385878918.db2.gz KNGQIDRSXUURNM-NEPJUHHUSA-N 2 3 211.353 0.657 20 0 BCADHP CC1([NH3+])CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000647924154 385941218 /nfs/dbraw/zinc/94/12/18/385941218.db2.gz JAKQNUBYYAOWSD-NSHDSACASA-N 2 3 211.353 0.799 20 0 BCADHP C[C@H]([NH3+])CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335275705 386334856 /nfs/dbraw/zinc/33/48/56/386334856.db2.gz CUHODPOUFLMUKJ-QWRGUYRKSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CCN1 ZINC000335448765 386516436 /nfs/dbraw/zinc/51/64/36/386516436.db2.gz RZMPJRNAERBYRV-CMPLNLGQSA-N 2 3 211.353 0.716 20 0 BCADHP CC(C)(C)NCC[NH2+]CCCN1CC[NH2+]CC1 ZINC000414803298 386599386 /nfs/dbraw/zinc/59/93/86/386599386.db2.gz WLGFJJLLTLACGQ-UHFFFAOYSA-N 2 3 242.411 0.259 20 0 BCADHP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC000647907742 386696862 /nfs/dbraw/zinc/69/68/62/386696862.db2.gz NYCYNNIHSJQHON-QNWHQSFQSA-N 2 3 223.364 0.655 20 0 BCADHP C(C[C@H]1CC[NH2+]C1)[NH2+]C[C@H]1CCCNC1 ZINC000414828691 386703079 /nfs/dbraw/zinc/70/30/79/386703079.db2.gz JHQCFXQSRFOIIU-NEPJUHHUSA-N 2 3 211.353 0.575 20 0 BCADHP C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000414842040 386749175 /nfs/dbraw/zinc/74/91/75/386749175.db2.gz OSSLPOQBMOSACT-NWDGAFQWSA-N 2 3 211.353 0.718 20 0 BCADHP [NH3+]CCCN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650724767 410361442 /nfs/dbraw/zinc/36/14/42/410361442.db2.gz LXBQOUJTADYHNN-XQQFMLRXSA-N 2 3 241.379 0.696 20 0 BCADHP N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000656193082 411198285 /nfs/dbraw/zinc/19/82/85/411198285.db2.gz MBRBAMNOFNYWSI-IJLUTSLNSA-N 2 3 223.364 0.988 20 0 BCADHP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000656193082 411198288 /nfs/dbraw/zinc/19/82/88/411198288.db2.gz MBRBAMNOFNYWSI-IJLUTSLNSA-N 2 3 223.364 0.988 20 0 BCADHP C(N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494287 411673280 /nfs/dbraw/zinc/67/32/80/411673280.db2.gz NJAFIEPGRQASNG-BARDWOONSA-N 2 3 249.402 0.917 20 0 BCADHP CC[NH2+]CC1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663494613 411675350 /nfs/dbraw/zinc/67/53/50/411675350.db2.gz JQFOKEBNTXPMIE-KGLIPLIRSA-N 2 3 237.391 0.917 20 0 BCADHP OCC1(NCC[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000662286839 412078636 /nfs/dbraw/zinc/07/86/36/412078636.db2.gz MWQWCRHFKUXNAB-LBPRGKRZSA-N 2 3 241.379 0.080 20 0 BCADHP [NH3+]CC12CC(C1)CN2CC[C@H]1CC[NH2+]C1 ZINC000662306249 412090533 /nfs/dbraw/zinc/09/05/33/412090533.db2.gz PPVTUFQRXJGJPB-VOMCLLRMSA-N 2 3 209.337 0.409 20 0 BCADHP C[C@@H]1C[C@@H](CN(C)C2CC([NH3+])C2)CC[NH2+]1 ZINC000334869595 176367863 /nfs/dbraw/zinc/36/78/63/176367863.db2.gz PMMKNUPFXMQKMH-QKEWWQLBSA-N 2 3 211.353 0.796 20 0 BCADHP C[NH2+]CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000563958161 323331875 /nfs/dbraw/zinc/33/18/75/323331875.db2.gz SBWJZGKBRBYRGG-CYBMUJFWSA-N 2 3 225.380 0.917 20 0 BCADHP C[NH2+]CC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000563958161 323331878 /nfs/dbraw/zinc/33/18/78/323331878.db2.gz SBWJZGKBRBYRGG-CYBMUJFWSA-N 2 3 225.380 0.917 20 0 BCADHP [NH3+]C[C@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000902487192 584625954 /nfs/dbraw/zinc/62/59/54/584625954.db2.gz JKOFUNPLSSFXBF-XWLWVQCSSA-N 2 3 209.337 0.583 20 0 BCADHP [NH3+][C@@H]1CC[C@H](CN2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903449982 584772240 /nfs/dbraw/zinc/77/22/40/584772240.db2.gz ZBRPCPIYEZFNBY-YNEHKIRRSA-N 2 3 223.364 0.799 20 0 BCADHP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CCNC12CCC2 ZINC000903471293 584775580 /nfs/dbraw/zinc/77/55/80/584775580.db2.gz IECDIQYWNHQILO-VXGBXAGGSA-N 2 3 223.364 0.860 20 0 BCADHP C(C[C@H]1CC[NH2+]C1)[NH2+][C@H]1CCNC12CCC2 ZINC000903471290 584775669 /nfs/dbraw/zinc/77/56/69/584775669.db2.gz IECDIQYWNHQILO-NEPJUHHUSA-N 2 3 223.364 0.860 20 0 BCADHP C([NH2+]C1CCNCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918234 584827126 /nfs/dbraw/zinc/82/71/26/584827126.db2.gz VMSHZIIQGGYHRE-VGPLMAKISA-N 2 3 223.364 0.859 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CCN[C@H]1CCC[NH2+]C1 ZINC000903978691 584833169 /nfs/dbraw/zinc/83/31/69/584833169.db2.gz KQEXLBXKAIIHKC-UTUOFQBUSA-N 2 3 211.353 0.574 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC12CC(C1)CN2 ZINC000903979242 584833554 /nfs/dbraw/zinc/83/35/54/584833554.db2.gz ZEVSEQLXTHRCTN-CQLXCSJHSA-N 2 3 223.364 0.574 20 0 BCADHP C[C@@H]([NH3+])[C@@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299897 584860918 /nfs/dbraw/zinc/86/09/18/584860918.db2.gz QWYALPGGHDZLFD-KKOKHZNYSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H](N)[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299897 584860919 /nfs/dbraw/zinc/86/09/19/584860919.db2.gz QWYALPGGHDZLFD-KKOKHZNYSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H](N)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299897 584860920 /nfs/dbraw/zinc/86/09/20/584860920.db2.gz QWYALPGGHDZLFD-KKOKHZNYSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H]([NH2+]C1CC(C[NH3+])C1)[C@H]1CCCNC1 ZINC000904353183 584870051 /nfs/dbraw/zinc/87/00/51/584870051.db2.gz HVDVRYINFLCNSV-ZYGVAYEYSA-N 2 3 211.353 0.701 20 0 BCADHP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)CCN1 ZINC000904355401 584870980 /nfs/dbraw/zinc/87/09/80/584870980.db2.gz NBQNICMXBGLZIK-YPMHNXCESA-N 2 3 240.395 0.140 20 0 BCADHP NC1(C[NH2+]C2CCN(CC[NH3+])CC2)CCCC1 ZINC000904376800 584876091 /nfs/dbraw/zinc/87/60/91/584876091.db2.gz FTXJGFKJMVESPW-UHFFFAOYSA-N 2 3 240.395 0.271 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000904380133 584876772 /nfs/dbraw/zinc/87/67/72/584876772.db2.gz IQRQAANOVLTQTI-WYUUTHIRSA-N 2 3 209.337 0.537 20 0 BCADHP C[C@@]1(CN2CC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000904405955 584878201 /nfs/dbraw/zinc/87/82/01/584878201.db2.gz BIGIBZPWFUIRNF-NWDGAFQWSA-N 2 3 211.353 0.657 20 0 BCADHP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CN ZINC000904419417 584881985 /nfs/dbraw/zinc/88/19/85/584881985.db2.gz VDRZOBBTUJSSRH-YVECIDJPSA-N 2 3 225.380 0.901 20 0 BCADHP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CN ZINC000904419417 584881986 /nfs/dbraw/zinc/88/19/86/584881986.db2.gz VDRZOBBTUJSSRH-YVECIDJPSA-N 2 3 225.380 0.901 20 0 BCADHP CC(C)[C@H](C[NH3+])CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420739 584882266 /nfs/dbraw/zinc/88/22/66/584882266.db2.gz VNYLEMHRWNZWMK-YNEHKIRRSA-N 2 3 225.380 0.759 20 0 BCADHP C[C@H]([NH2+]C1CCNCC1)C1CC[NH2+]CC1 ZINC000873220920 589999281 /nfs/dbraw/zinc/99/92/81/589999281.db2.gz WVDSPWMJYICXOZ-JTQLQIEISA-N 2 3 211.353 0.716 20 0 BCADHP C([NH2+][C@@]12CCC[C@H]1NCC2)C1CC[NH2+]CC1 ZINC000873229786 590002146 /nfs/dbraw/zinc/00/21/46/590002146.db2.gz FZLILNFPHUWCEF-CHWSQXEVSA-N 2 3 223.364 0.860 20 0 BCADHP C[C@H](NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000873255041 590010065 /nfs/dbraw/zinc/01/00/65/590010065.db2.gz DOJLAMDPNRNJCK-FIQHERPVSA-N 2 3 211.353 0.844 20 0 BCADHP C[C@H]1CCNCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256946 590011836 /nfs/dbraw/zinc/01/18/36/590011836.db2.gz RJMRALJIXPPOII-BJDJZHNGSA-N 2 3 211.353 0.701 20 0 BCADHP [NH3+][C@H]1C[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925726703 634522797 /nfs/dbraw/zinc/52/27/97/634522797.db2.gz KCXLXWKAKQRDRB-CCKSWGLSSA-N 2 3 221.348 0.310 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925726708 634523547 /nfs/dbraw/zinc/52/35/47/634523547.db2.gz KCXLXWKAKQRDRB-QMNVILFCSA-N 2 3 221.348 0.310 20 0 BCADHP C[C@H](N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC[NH2+]CC1 ZINC000925730585 634560886 /nfs/dbraw/zinc/56/08/86/634560886.db2.gz XEKSWFFTIJHCKF-SVJDTZHWSA-N 2 3 249.402 0.961 20 0 BCADHP [NH3+]CC[C@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310523119 632758098 /nfs/dbraw/zinc/75/80/98/632758098.db2.gz MKBMVUHXDGADAK-QWHCGFSZSA-N 2 3 241.379 0.114 20 0 BCADHP [NH3+]CC1(CCN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925701947 634375630 /nfs/dbraw/zinc/37/56/30/634375630.db2.gz INDJKDICRJUOMX-JZRPKSSGSA-N 2 3 235.375 0.701 20 0 BCADHP [NH3+]CC1(CCN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925701948 634376921 /nfs/dbraw/zinc/37/69/21/634376921.db2.gz INDJKDICRJUOMX-NWBUJAPZSA-N 2 3 235.375 0.701 20 0 BCADHP CCC1([NH3+])CCN([C@@H](CCC[NH3+])COC)CC1 ZINC000925761055 635160568 /nfs/dbraw/zinc/16/05/68/635160568.db2.gz TYMLUEPXMREZOX-LBPRGKRZSA-N 2 3 243.395 0.944 20 0 BCADHP C[C@@H]1C[C@H](C[NH2+][C@H]2CNCC2(C)C)CC[NH2+]1 ZINC000904461395 637406658 /nfs/dbraw/zinc/40/66/58/637406658.db2.gz IXIXJAKCWSOUFG-UTUOFQBUSA-N 2 3 225.380 0.962 20 0 BCADHP NC1CC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000906511498 638185850 /nfs/dbraw/zinc/18/58/50/638185850.db2.gz XVSPKPSUHZJDHM-TZMBILIQSA-N 2 3 209.337 0.454 20 0 BCADHP N[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000906519303 638187436 /nfs/dbraw/zinc/18/74/36/638187436.db2.gz XVSPKPSUHZJDHM-MJDLHHQISA-N 2 3 209.337 0.454 20 0 BCADHP [NH3+]C1CC(C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925729808 646454660 /nfs/dbraw/zinc/45/46/60/646454660.db2.gz MERRBGXJKKGQAB-VQXHTEKXSA-N 2 3 209.337 0.598 20 0 BCADHP C[C@@H]1NCCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816870 646491895 /nfs/dbraw/zinc/49/18/95/646491895.db2.gz KKTKGEPXFCFNQF-AAEUAGOBSA-N 2 3 240.395 0.140 20 0 BCADHP [NH3+]C[C@@H]1CCC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925817740 646493867 /nfs/dbraw/zinc/49/38/67/646493867.db2.gz WHJHLHYALAEEAO-AAEUAGOBSA-N 2 3 240.395 0.127 20 0 BCADHP C[C@@H]1[NH2+]CCC[C@@H]1NCCCN1CC[NH2+]CC1 ZINC000925689152 711709626 /nfs/dbraw/zinc/70/96/26/711709626.db2.gz GYRKDFWETJLFGB-STQMWFEESA-N 2 3 240.395 0.012 20 0 BCADHP NC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879381 711762086 /nfs/dbraw/zinc/76/20/86/711762086.db2.gz CQYKPBAWAJDZKC-WISYIIOYSA-N 2 3 211.353 0.831 20 0 BCADHP CC(C)[C@H](CN)C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000634995478 345185120 /nfs/dbraw/zinc/18/51/20/345185120.db2.gz GGZGGJMGDPQNNK-VXGBXAGGSA-N 2 3 225.380 0.949 20 0 BCADHP NCC1(C[NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000634996113 345186989 /nfs/dbraw/zinc/18/69/89/345186989.db2.gz ZORPTKVMOWTILO-LLVKDONJSA-N 2 3 211.353 0.847 20 0 BCADHP CC(C)[C@H](CN)C[NH2+]CCC1(C[NH3+])CC1 ZINC000634996299 345187501 /nfs/dbraw/zinc/18/75/01/345187501.db2.gz GAMBBVFKTJDKMU-LLVKDONJSA-N 2 3 213.369 0.936 20 0 BCADHP C[NH2+]CCOCCN(C)C[C@H](C[NH3+])C(C)C ZINC000634996974 345193315 /nfs/dbraw/zinc/19/33/15/345193315.db2.gz AHINEHMBRBZNMM-LBPRGKRZSA-N 2 3 231.384 0.385 20 0 BCADHP CC(C)[C@H](C[NH3+])CN(C)CCOCC[NH3+] ZINC000634997332 345195236 /nfs/dbraw/zinc/19/52/36/345195236.db2.gz JGNZUENQMDUWSY-LLVKDONJSA-N 2 3 217.357 0.124 20 0 BCADHP C[C@@H]1C[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000580075100 346511075 /nfs/dbraw/zinc/51/10/75/346511075.db2.gz ULXXYTLNLAVZOH-XQHKEYJVSA-N 2 3 223.364 0.526 20 0 BCADHP C(C[C@H]1CCC[NH2+]C1)[NH2+]C[C@@H]1CCCNC1 ZINC000580715336 346663296 /nfs/dbraw/zinc/66/32/96/346663296.db2.gz YFOOLTZGXQSPOZ-CHWSQXEVSA-N 2 3 225.380 0.965 20 0 BCADHP N[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000334588780 354216315 /nfs/dbraw/zinc/21/63/15/354216315.db2.gz XKCRJJJICXLCLX-VXGBXAGGSA-N 2 3 211.353 0.799 20 0 BCADHP N[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000334588780 354216318 /nfs/dbraw/zinc/21/63/18/354216318.db2.gz XKCRJJJICXLCLX-VXGBXAGGSA-N 2 3 211.353 0.799 20 0 BCADHP C[NH2+]CCOCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000629528494 361137354 /nfs/dbraw/zinc/13/73/54/361137354.db2.gz AMYXYVDGDCGVHG-NWDGAFQWSA-N 2 3 229.368 0.295 20 0 BCADHP C[NH2+]CCOCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000629528494 361137359 /nfs/dbraw/zinc/13/73/59/361137359.db2.gz AMYXYVDGDCGVHG-NWDGAFQWSA-N 2 3 229.368 0.295 20 0 BCADHP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000629531813 361150408 /nfs/dbraw/zinc/15/04/08/361150408.db2.gz YWRVLSHXLWZZML-VXGBXAGGSA-N 2 3 229.368 0.330 20 0 BCADHP C[NH2+]CCOCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000629531813 361150412 /nfs/dbraw/zinc/15/04/12/361150412.db2.gz YWRVLSHXLWZZML-VXGBXAGGSA-N 2 3 229.368 0.330 20 0 BCADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629539224 361404944 /nfs/dbraw/zinc/40/49/44/361404944.db2.gz PADIDZZLWMSGFV-NWDGAFQWSA-N 2 3 229.368 0.459 20 0 BCADHP [NH3+]CCCOCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000629539224 361404949 /nfs/dbraw/zinc/40/49/49/361404949.db2.gz PADIDZZLWMSGFV-NWDGAFQWSA-N 2 3 229.368 0.459 20 0 BCADHP C[C@H]1CC[NH2+]CC[C@H]1NCCOCCC[NH3+] ZINC000629539438 361406156 /nfs/dbraw/zinc/40/61/56/361406156.db2.gz RFZLJSOFTUPEQV-NWDGAFQWSA-N 2 3 229.368 0.330 20 0 BCADHP C[C@@H]1CC[NH2+]CC[C@H]1NCCOCCC[NH3+] ZINC000629539440 361406320 /nfs/dbraw/zinc/40/63/20/361406320.db2.gz RFZLJSOFTUPEQV-VXGBXAGGSA-N 2 3 229.368 0.330 20 0 BCADHP CC[N@@H+]1CC[C@H](NCCOCCC[NH3+])[C@@H](C)C1 ZINC000629541604 361416684 /nfs/dbraw/zinc/41/66/84/361416684.db2.gz RVJVSKZFMJTSRG-STQMWFEESA-N 2 3 243.395 0.672 20 0 BCADHP CC[N@H+]1CC[C@H](NCCOCCC[NH3+])[C@@H](C)C1 ZINC000629541604 361416687 /nfs/dbraw/zinc/41/66/87/361416687.db2.gz RVJVSKZFMJTSRG-STQMWFEESA-N 2 3 243.395 0.672 20 0 BCADHP C[C@]1(CNCC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000575123284 365212650 /nfs/dbraw/zinc/21/26/50/365212650.db2.gz ARFRSKOKRKELFU-NWDGAFQWSA-N 2 3 211.353 0.575 20 0 BCADHP CNC[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000575989076 365436671 /nfs/dbraw/zinc/43/66/71/365436671.db2.gz NOONYBGDYKDEAC-NWDGAFQWSA-N 2 3 211.353 0.527 20 0 BCADHP CNC[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000575989076 365436676 /nfs/dbraw/zinc/43/66/76/365436676.db2.gz NOONYBGDYKDEAC-NWDGAFQWSA-N 2 3 211.353 0.527 20 0 BCADHP C[NH2+]C[C@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000575989076 365436683 /nfs/dbraw/zinc/43/66/83/365436683.db2.gz NOONYBGDYKDEAC-NWDGAFQWSA-N 2 3 211.353 0.527 20 0 BCADHP CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000579602894 366901305 /nfs/dbraw/zinc/90/13/05/366901305.db2.gz XHGMVVNSVTXQRM-RYUDHWBXSA-N 2 3 229.368 0.018 20 0 BCADHP CNC[C@](C)(O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000579602894 366901311 /nfs/dbraw/zinc/90/13/11/366901311.db2.gz XHGMVVNSVTXQRM-RYUDHWBXSA-N 2 3 229.368 0.018 20 0 BCADHP C[NH2+]C[C@](C)(O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000579602894 366901314 /nfs/dbraw/zinc/90/13/14/366901314.db2.gz XHGMVVNSVTXQRM-RYUDHWBXSA-N 2 3 229.368 0.018 20 0 BCADHP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1CN ZINC000631836949 372625597 /nfs/dbraw/zinc/62/55/97/372625597.db2.gz KCDNXTGIEVPUGD-IJLUTSLNSA-N 2 3 211.353 0.513 20 0 BCADHP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1CN ZINC000631836949 372625601 /nfs/dbraw/zinc/62/56/01/372625601.db2.gz KCDNXTGIEVPUGD-IJLUTSLNSA-N 2 3 211.353 0.513 20 0 BCADHP C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631836949 372625603 /nfs/dbraw/zinc/62/56/03/372625603.db2.gz KCDNXTGIEVPUGD-IJLUTSLNSA-N 2 3 211.353 0.513 20 0 BCADHP C[C@@H]1C[C@H](CN)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000335605245 384375945 /nfs/dbraw/zinc/37/59/45/384375945.db2.gz HTQPASBDBAWNGE-ZYHUDNBSSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@H](CN)C[N@H+]1CC1CC[NH2+]CC1 ZINC000335605245 384375948 /nfs/dbraw/zinc/37/59/48/384375948.db2.gz HTQPASBDBAWNGE-ZYHUDNBSSA-N 2 3 211.353 0.655 20 0 BCADHP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCN1 ZINC000647546417 384729976 /nfs/dbraw/zinc/72/99/76/384729976.db2.gz JLEPFRWRSXTKPY-LOWDOPEQSA-N 2 3 223.364 0.716 20 0 BCADHP CCC[NH2+]CCN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546973 384732682 /nfs/dbraw/zinc/73/26/82/384732682.db2.gz IPRGBBRYBXFALX-RWMBFGLXSA-N 2 3 225.380 0.964 20 0 BCADHP C1[NH2+]C[C@@H]2[C@H]1[C@H]2N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547438 384736301 /nfs/dbraw/zinc/73/63/01/384736301.db2.gz WKWFATIMAPTBBG-USTYEKHQSA-N 2 3 221.348 0.182 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000647548077 384751294 /nfs/dbraw/zinc/75/12/94/384751294.db2.gz USRXDWRQKSGOIO-IRCOFANPSA-N 2 3 211.353 0.701 20 0 BCADHP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CNC1 ZINC000647799300 385799517 /nfs/dbraw/zinc/79/95/17/385799517.db2.gz CYGOZOHEAYZHMG-QJPTWQEYSA-N 2 3 209.337 0.184 20 0 BCADHP [NH3+]CCCOC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647859047 385916221 /nfs/dbraw/zinc/91/62/21/385916221.db2.gz IKRNFKKYBJAZSY-GFCCVEGCSA-N 2 3 241.379 0.426 20 0 BCADHP [NH3+]C1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000335266638 386304977 /nfs/dbraw/zinc/30/49/77/386304977.db2.gz BWQWFPBVRYCUDQ-HTAVTVPLSA-N 2 3 211.353 0.988 20 0 BCADHP CNC[C@](C)(O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000519544393 386481518 /nfs/dbraw/zinc/48/15/18/386481518.db2.gz JGTKUIBSOAVGNM-ZDUSSCGKSA-N 2 3 243.395 0.230 20 0 BCADHP C[C@@H]1C[C@@H](CN)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000647905024 386585064 /nfs/dbraw/zinc/58/50/64/386585064.db2.gz LLTMALKATFMWDJ-WOPDTQHZSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@@H](CN)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000647905024 386585071 /nfs/dbraw/zinc/58/50/71/386585071.db2.gz LLTMALKATFMWDJ-WOPDTQHZSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@@H](C[NH3+])CN1CC[C@@H]1CC[NH2+]C1 ZINC000647905024 386585072 /nfs/dbraw/zinc/58/50/72/386585072.db2.gz LLTMALKATFMWDJ-WOPDTQHZSA-N 2 3 211.353 0.655 20 0 BCADHP C(CC1CC[NH2+]CC1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647949422 386648577 /nfs/dbraw/zinc/64/85/77/386648577.db2.gz XXIICJIAWICDSU-OKILXGFUSA-N 2 3 237.391 0.917 20 0 BCADHP CNC[C@H](C)C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414832883 386721553 /nfs/dbraw/zinc/72/15/53/386721553.db2.gz FDRMUTSSOFNFIQ-TUAOUCFPSA-N 2 3 213.369 0.820 20 0 BCADHP C[C@@H]1C[C@H](CN(C)C2CC([NH3+])C2)CC[NH2+]1 ZINC000334869596 386928383 /nfs/dbraw/zinc/92/83/83/386928383.db2.gz PMMKNUPFXMQKMH-QYNFOATHSA-N 2 3 211.353 0.796 20 0 BCADHP [NH3+]C[C@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000514603391 256681308 /nfs/dbraw/zinc/68/13/08/256681308.db2.gz HQJUVOBLPZUWBX-VXGBXAGGSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000514603391 256681309 /nfs/dbraw/zinc/68/13/09/256681309.db2.gz HQJUVOBLPZUWBX-VXGBXAGGSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000514603391 256681310 /nfs/dbraw/zinc/68/13/10/256681310.db2.gz HQJUVOBLPZUWBX-VXGBXAGGSA-N 2 3 211.353 0.657 20 0 BCADHP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1N ZINC000516868144 388520026 /nfs/dbraw/zinc/52/00/26/388520026.db2.gz UGPGFXZIKBXYCU-UTUOFQBUSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1N ZINC000516868144 388520029 /nfs/dbraw/zinc/52/00/29/388520029.db2.gz UGPGFXZIKBXYCU-UTUOFQBUSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCNC12CCC2 ZINC000530216146 388629947 /nfs/dbraw/zinc/62/99/47/388629947.db2.gz MWLBXMSQZHACCF-WDEREUQCSA-N 2 3 211.353 0.988 20 0 BCADHP C[C@@H]1C[C@H](C[NH3+])CN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662263402 409555690 /nfs/dbraw/zinc/55/56/90/409555690.db2.gz ARNAOUXCCJMYKQ-UTUOFQBUSA-N 2 3 239.363 0.177 20 0 BCADHP C[NH2+]C[C@H](C)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000663512623 410283257 /nfs/dbraw/zinc/28/32/57/410283257.db2.gz GVQQRLYRZZIEJZ-FIQHERPVSA-N 2 3 211.353 0.572 20 0 BCADHP [NH3+]CCCN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707519 410337934 /nfs/dbraw/zinc/33/79/34/410337934.db2.gz HTQHPTFOMOLBMU-RWMBFGLXSA-N 2 3 241.379 0.554 20 0 BCADHP NCCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707519 410337939 /nfs/dbraw/zinc/33/79/39/410337939.db2.gz HTQHPTFOMOLBMU-RWMBFGLXSA-N 2 3 241.379 0.554 20 0 BCADHP NCCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707519 410337942 /nfs/dbraw/zinc/33/79/42/410337942.db2.gz HTQHPTFOMOLBMU-RWMBFGLXSA-N 2 3 241.379 0.554 20 0 BCADHP C[C@H]1C[NH2+]C[C@@H](NCCC2(C[NH3+])CC2)C1 ZINC000650714245 410346910 /nfs/dbraw/zinc/34/69/10/410346910.db2.gz WZCIIPOMJCKCDX-MNOVXSKESA-N 2 3 211.353 0.703 20 0 BCADHP N[C@H]1CCC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000656193288 411200802 /nfs/dbraw/zinc/20/08/02/411200802.db2.gz DXOLBRLGCVSSQH-WDEREUQCSA-N 2 3 211.353 0.975 20 0 BCADHP N[C@@H]1CCC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000656193285 411201090 /nfs/dbraw/zinc/20/10/90/411201090.db2.gz DXOLBRLGCVSSQH-GHMZBOCLSA-N 2 3 211.353 0.975 20 0 BCADHP CCO[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1CN ZINC000652356075 411214787 /nfs/dbraw/zinc/21/47/87/411214787.db2.gz RKFZXDLGNZEMEA-JHJVBQTASA-N 2 3 241.379 0.282 20 0 BCADHP CCO[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1CN ZINC000652356075 411214790 /nfs/dbraw/zinc/21/47/90/411214790.db2.gz RKFZXDLGNZEMEA-JHJVBQTASA-N 2 3 241.379 0.282 20 0 BCADHP CCO[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652356075 411214793 /nfs/dbraw/zinc/21/47/93/411214793.db2.gz RKFZXDLGNZEMEA-JHJVBQTASA-N 2 3 241.379 0.282 20 0 BCADHP CC[N@@H+]1CC[C@H](N(C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073360 170017828 /nfs/dbraw/zinc/01/78/28/170017828.db2.gz LHANYNIRJFECJS-STQMWFEESA-N 2 3 243.395 0.624 20 0 BCADHP CC[N@H+]1CC[C@H](N(C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073360 170017829 /nfs/dbraw/zinc/01/78/29/170017829.db2.gz LHANYNIRJFECJS-STQMWFEESA-N 2 3 243.395 0.624 20 0 BCADHP C[NH2+]CCC1CCN(C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663496836 411677942 /nfs/dbraw/zinc/67/79/42/411677942.db2.gz ZOMKPBCJZSQXJE-UONOGXRCSA-N 2 3 237.391 0.917 20 0 BCADHP [NH3+]CC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662236521 412034996 /nfs/dbraw/zinc/03/49/96/412034996.db2.gz ZHNMRBUKTXYUPA-GFCCVEGCSA-N 2 3 239.363 0.178 20 0 BCADHP C[C@@H]1CNCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335448346 176328141 /nfs/dbraw/zinc/32/81/41/176328141.db2.gz NFTMWWJIAKWHEW-ZYHUDNBSSA-N 2 3 211.353 0.574 20 0 BCADHP CNC[C@@](C)(O)C[N@H+](C)CCCCCC[NH3+] ZINC000872155339 589886073 /nfs/dbraw/zinc/88/60/73/589886073.db2.gz JLFUYJSTURCPAK-GFCCVEGCSA-N 2 3 231.384 0.408 20 0 BCADHP CNC[C@@](C)(O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155339 589886076 /nfs/dbraw/zinc/88/60/76/589886076.db2.gz JLFUYJSTURCPAK-GFCCVEGCSA-N 2 3 231.384 0.408 20 0 BCADHP C[C@H](N)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363659 487932655 /nfs/dbraw/zinc/93/26/55/487932655.db2.gz KOMNAMJLGPDRNB-LOWDOPEQSA-N 2 3 241.379 0.694 20 0 BCADHP C[C@H](N)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363659 487932659 /nfs/dbraw/zinc/93/26/59/487932659.db2.gz KOMNAMJLGPDRNB-LOWDOPEQSA-N 2 3 241.379 0.694 20 0 BCADHP C(CNC1CC1)C[NH2+]CC1CC[NH2+]CC1 ZINC000563135490 323094687 /nfs/dbraw/zinc/09/46/87/323094687.db2.gz NSBONPXNRUXXQX-UHFFFAOYSA-N 2 3 211.353 0.718 20 0 BCADHP [NH3+]CCCCCCNC[C@]12C[C@H]1C[NH2+]C2 ZINC000853247025 588729181 /nfs/dbraw/zinc/72/91/81/588729181.db2.gz ZNRQRZPGZJALAN-RYUDHWBXSA-N 2 3 211.353 0.705 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000903979209 584833550 /nfs/dbraw/zinc/83/35/50/584833550.db2.gz YPWFMLHQAPUHDW-LPWJVIDDSA-N 2 3 225.380 0.820 20 0 BCADHP CC[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000904302060 584862230 /nfs/dbraw/zinc/86/22/30/584862230.db2.gz UNQOULOQJNUJCH-NNYUYHANSA-N 2 3 211.353 0.783 20 0 BCADHP CC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1N ZINC000904302060 584862232 /nfs/dbraw/zinc/86/22/32/584862232.db2.gz UNQOULOQJNUJCH-NNYUYHANSA-N 2 3 211.353 0.783 20 0 BCADHP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1N ZINC000904302060 584862233 /nfs/dbraw/zinc/86/22/33/584862233.db2.gz UNQOULOQJNUJCH-NNYUYHANSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@@H]([NH2+]C1CC(C[NH3+])C1)[C@@H]1CCCNC1 ZINC000904353180 584869904 /nfs/dbraw/zinc/86/99/04/584869904.db2.gz HVDVRYINFLCNSV-QTAHKJALSA-N 2 3 211.353 0.701 20 0 BCADHP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H](C)N ZINC000904354284 584870342 /nfs/dbraw/zinc/87/03/42/584870342.db2.gz DKXHFJOEMKNENF-VHSXEESVSA-N 2 3 207.321 0.971 20 0 BCADHP C[C@@]1(C[NH2+]CC[C@H]2CC[NH2+]C2)CCCNC1 ZINC000904353854 584870464 /nfs/dbraw/zinc/87/04/64/584870464.db2.gz SVNPWKRQDWNQJC-CHWSQXEVSA-N 2 3 225.380 0.965 20 0 BCADHP CC(C)C[C@@H](C[NH3+])NC1CCN(CC[NH3+])CC1 ZINC000904354468 584870469 /nfs/dbraw/zinc/87/04/69/584870469.db2.gz ZEPIEWZPRLFGNG-ZDUSSCGKSA-N 2 3 242.411 0.373 20 0 BCADHP C[C@@]1(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCCNC1 ZINC000904354934 584871020 /nfs/dbraw/zinc/87/10/20/584871020.db2.gz HHVBLIOZGLLECP-GRYCIOLGSA-N 2 3 211.353 0.703 20 0 BCADHP CC(C)[C@H](CN)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407102 584878613 /nfs/dbraw/zinc/87/86/13/584878613.db2.gz NIJKLFFJXXCCQK-VXGBXAGGSA-N 2 3 213.369 0.888 20 0 BCADHP CC(C)[C@H](CN)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407102 584878614 /nfs/dbraw/zinc/87/86/14/584878614.db2.gz NIJKLFFJXXCCQK-VXGBXAGGSA-N 2 3 213.369 0.888 20 0 BCADHP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000904410956 584878854 /nfs/dbraw/zinc/87/88/54/584878854.db2.gz RWSVXDQUECZGPO-AGIUHOORSA-N 2 3 225.380 0.903 20 0 BCADHP C[NH2+]C[C@@](C)(O)CN(C)CCCCCC[NH3+] ZINC000872155339 589886071 /nfs/dbraw/zinc/88/60/71/589886071.db2.gz JLFUYJSTURCPAK-GFCCVEGCSA-N 2 3 231.384 0.408 20 0 BCADHP C([NH2+][C@]12CCC[C@H]1NCC2)C1CC[NH2+]CC1 ZINC000873229787 590002084 /nfs/dbraw/zinc/00/20/84/590002084.db2.gz FZLILNFPHUWCEF-OLZOCXBDSA-N 2 3 223.364 0.860 20 0 BCADHP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCNC1 ZINC000873251195 590008026 /nfs/dbraw/zinc/00/80/26/590008026.db2.gz VABSXFHYJJPABO-NNYUYHANSA-N 2 3 211.353 0.701 20 0 BCADHP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCNC1 ZINC000873251193 590008379 /nfs/dbraw/zinc/00/83/79/590008379.db2.gz VABSXFHYJJPABO-FIQHERPVSA-N 2 3 211.353 0.701 20 0 BCADHP NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873254674 590010172 /nfs/dbraw/zinc/01/01/72/590010172.db2.gz ACJQWYPENUOAIO-BJDJZHNGSA-N 2 3 211.353 0.831 20 0 BCADHP C[NH2+]CCOCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925717650 634454712 /nfs/dbraw/zinc/45/47/12/634454712.db2.gz CNOWFQXCZOZOGU-GHMZBOCLSA-N 2 3 227.352 0.082 20 0 BCADHP C[C@](C[NH3+])(NC[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923295967 644333486 /nfs/dbraw/zinc/33/34/86/644333486.db2.gz LQSJXTVJQNJFRQ-NWDGAFQWSA-N 2 3 239.363 0.082 20 0 BCADHP CC1(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC[NH2+]CC1 ZINC000925700357 646425572 /nfs/dbraw/zinc/42/55/72/646425572.db2.gz SFRCNNCCWHYNHB-YHQUGGNUSA-N 2 3 249.402 0.962 20 0 BCADHP [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)C1 ZINC000925707670 646432601 /nfs/dbraw/zinc/43/26/01/646432601.db2.gz MHWBPJQCECHYEP-VTAXGKEESA-N 2 3 235.375 0.700 20 0 BCADHP [NH3+]CCCOCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925719734 646444584 /nfs/dbraw/zinc/44/45/84/646444584.db2.gz VIOFEKIWCJQQQH-WDEREUQCSA-N 2 3 227.352 0.211 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000925798423 646486932 /nfs/dbraw/zinc/48/69/32/646486932.db2.gz WPKRXWMAZLKBLJ-YVECIDJPSA-N 2 3 225.380 0.949 20 0 BCADHP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1CNC1 ZINC000925803622 646487885 /nfs/dbraw/zinc/48/78/85/646487885.db2.gz SDPPELXGDUFVIA-GMTAPVOTSA-N 2 3 211.353 0.430 20 0 BCADHP [NH3+][C@@H]1CC[C@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925879977 646528727 /nfs/dbraw/zinc/52/87/27/646528727.db2.gz NLDFQWBUFDSZHB-XVZUFCMUSA-N 2 3 235.375 0.700 20 0 BCADHP C[C@@H]1[NH2+]CCC[C@H]1NCCCN1CC[NH2+]CC1 ZINC000925689149 711709607 /nfs/dbraw/zinc/70/96/07/711709607.db2.gz GYRKDFWETJLFGB-QWHCGFSZSA-N 2 3 240.395 0.012 20 0 BCADHP C([C@H]1CC[NH2+]C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647986634 398228422 /nfs/dbraw/zinc/22/84/22/398228422.db2.gz WJMKPSKUQBKSMF-IHRRRGAJSA-N 2 3 237.391 0.917 20 0 BCADHP [NH3+]CC[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000381278000 398249546 /nfs/dbraw/zinc/24/95/46/398249546.db2.gz XKARINXHBGLUFQ-VXGBXAGGSA-N 2 3 211.353 0.657 20 0 BCADHP [NH3+]CC[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000381277994 398249937 /nfs/dbraw/zinc/24/99/37/398249937.db2.gz XKARINXHBGLUFQ-NEPJUHHUSA-N 2 3 211.353 0.657 20 0 BCADHP CC1([NH3+])CCN(CC2CC[NH2+]CC2)CC1 ZINC000381663367 398269147 /nfs/dbraw/zinc/26/91/47/398269147.db2.gz GKGNVNCBPBZUGH-UHFFFAOYSA-N 2 3 211.353 0.799 20 0 BCADHP CC(C)[C@H](C[NH3+])CN(C)CCN1CC[NH2+]CC1 ZINC000634990758 345173188 /nfs/dbraw/zinc/17/31/88/345173188.db2.gz BEAQKYCQJPAQCW-CYBMUJFWSA-N 2 3 242.411 0.054 20 0 BCADHP CC(C)[C@H](CN)C[NH+]1CCC(C[NH3+])CC1 ZINC000634991110 345174334 /nfs/dbraw/zinc/17/43/34/345174334.db2.gz QDUJUSCYTFSGKN-GFCCVEGCSA-N 2 3 213.369 0.888 20 0 BCADHP CC(C)[C@H](C[NH3+])CN1CCC(C[NH3+])CC1 ZINC000634991110 345174338 /nfs/dbraw/zinc/17/43/38/345174338.db2.gz QDUJUSCYTFSGKN-GFCCVEGCSA-N 2 3 213.369 0.888 20 0 BCADHP CC(C)[C@@H](CN)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000634996852 345184522 /nfs/dbraw/zinc/18/45/22/345184522.db2.gz XBLOMSJFLULAHY-NSHDSACASA-N 2 3 229.368 0.003 20 0 BCADHP CC(C)[C@H](CN)C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000634996092 345186918 /nfs/dbraw/zinc/18/69/18/345186918.db2.gz ZDRCMUVDMSDUPI-UTUOFQBUSA-N 2 3 213.369 0.934 20 0 BCADHP CC(C)[C@@H](C[NH3+])CNCCOCCC[NH3+] ZINC000634997912 345202946 /nfs/dbraw/zinc/20/29/46/345202946.db2.gz WCEGSDRAEMGSCG-NSHDSACASA-N 2 3 217.357 0.172 20 0 BCADHP CC(C)[C@@H](CN)C[NH2+]CCOCCC[NH3+] ZINC000634997912 345202948 /nfs/dbraw/zinc/20/29/48/345202948.db2.gz WCEGSDRAEMGSCG-NSHDSACASA-N 2 3 217.357 0.172 20 0 BCADHP C[C@H]([NH2+][C@@H]1CCNC1)C1CC[NH+](C)CC1 ZINC000396453146 362821320 /nfs/dbraw/zinc/82/13/20/362821320.db2.gz KSAPQFGJIOEMIJ-CMPLNLGQSA-N 2 3 211.353 0.668 20 0 BCADHP CC[NH+](CC)CCO[C@H]1CCN(CCC[NH3+])C1 ZINC000414748499 191559823 /nfs/dbraw/zinc/55/98/23/191559823.db2.gz URCHUXKULFNJKK-ZDUSSCGKSA-N 2 3 243.395 0.768 20 0 BCADHP C[NH2+]CCCN(C)CCC1CC[NH2+]CC1 ZINC000420391377 192236913 /nfs/dbraw/zinc/23/69/13/192236913.db2.gz SGRUVOUJKRYSRS-UHFFFAOYSA-N 2 3 213.369 0.917 20 0 BCADHP C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1CN ZINC000420415822 192240633 /nfs/dbraw/zinc/24/06/33/192240633.db2.gz VIKCKHBHBULERH-UPJWGTAASA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1CN ZINC000420415822 192240635 /nfs/dbraw/zinc/24/06/35/192240635.db2.gz VIKCKHBHBULERH-UPJWGTAASA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000420415822 192240638 /nfs/dbraw/zinc/24/06/38/192240638.db2.gz VIKCKHBHBULERH-UPJWGTAASA-N 2 3 225.380 0.903 20 0 BCADHP COCC1(CN[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000583143551 357494067 /nfs/dbraw/zinc/49/40/67/357494067.db2.gz PPUCMHAUWAQFAS-LBPRGKRZSA-N 2 3 241.379 0.344 20 0 BCADHP C[C@H](N)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000622044475 370677500 /nfs/dbraw/zinc/67/75/00/370677500.db2.gz HMXXYZBBUNHFIW-NNYUYHANSA-N 2 3 211.353 0.701 20 0 BCADHP C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCCCN1 ZINC000629536256 361398720 /nfs/dbraw/zinc/39/87/20/361398720.db2.gz FTYLBYBJFSKZPF-NEPJUHHUSA-N 2 3 229.368 0.472 20 0 BCADHP CC[N@@H+]1CC[C@H](NCCOCCC[NH3+])[C@H](C)C1 ZINC000629541602 361416607 /nfs/dbraw/zinc/41/66/07/361416607.db2.gz RVJVSKZFMJTSRG-OLZOCXBDSA-N 2 3 243.395 0.672 20 0 BCADHP CC[N@H+]1CC[C@H](NCCOCCC[NH3+])[C@H](C)C1 ZINC000629541602 361416613 /nfs/dbraw/zinc/41/66/13/361416613.db2.gz RVJVSKZFMJTSRG-OLZOCXBDSA-N 2 3 243.395 0.672 20 0 BCADHP C[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000629672227 361614693 /nfs/dbraw/zinc/61/46/93/361614693.db2.gz OQNZSFJGBMZTPL-NNYUYHANSA-N 2 3 211.353 0.715 20 0 BCADHP CNC[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000575989078 365437125 /nfs/dbraw/zinc/43/71/25/365437125.db2.gz NOONYBGDYKDEAC-VXGBXAGGSA-N 2 3 211.353 0.527 20 0 BCADHP CNC[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000575989078 365437128 /nfs/dbraw/zinc/43/71/28/365437128.db2.gz NOONYBGDYKDEAC-VXGBXAGGSA-N 2 3 211.353 0.527 20 0 BCADHP C[NH2+]C[C@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000575989078 365437131 /nfs/dbraw/zinc/43/71/31/365437131.db2.gz NOONYBGDYKDEAC-VXGBXAGGSA-N 2 3 211.353 0.527 20 0 BCADHP CNC[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000581309962 367338013 /nfs/dbraw/zinc/33/80/13/367338013.db2.gz AIDILBIFBIOVTJ-UPJWGTAASA-N 2 3 225.380 0.916 20 0 BCADHP CNC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000581309962 367338018 /nfs/dbraw/zinc/33/80/18/367338018.db2.gz AIDILBIFBIOVTJ-UPJWGTAASA-N 2 3 225.380 0.916 20 0 BCADHP N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000581954423 368020711 /nfs/dbraw/zinc/02/07/11/368020711.db2.gz WZSQQXICQHRIOT-KKOKHZNYSA-N 2 3 211.353 0.973 20 0 BCADHP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1CN ZINC000631838806 369122172 /nfs/dbraw/zinc/12/21/72/369122172.db2.gz VMWGJAGQEDUCEM-DGCLKSJQSA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1CN ZINC000631838806 369122185 /nfs/dbraw/zinc/12/21/85/369122185.db2.gz VMWGJAGQEDUCEM-DGCLKSJQSA-N 2 3 225.380 0.903 20 0 BCADHP NCC1(C[NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000568007306 326294839 /nfs/dbraw/zinc/29/48/39/326294839.db2.gz GENAAAHCYHKJQX-UHFFFAOYSA-N 2 3 211.353 0.786 20 0 BCADHP C[C@@H]([NH3+])[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000309833357 370265985 /nfs/dbraw/zinc/26/59/85/370265985.db2.gz ZFPMKYQWZAJWRZ-GHMZBOCLSA-N 2 3 215.341 0.021 20 0 BCADHP C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C[NH3+] ZINC000631837046 372627729 /nfs/dbraw/zinc/62/77/29/372627729.db2.gz MBMZHCABLGBHHQ-IJLUTSLNSA-N 2 3 239.363 0.034 20 0 BCADHP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3CCNCC3)CC[C@H]12 ZINC000647546403 384730680 /nfs/dbraw/zinc/73/06/80/384730680.db2.gz IUAYSMIJXGCGLM-NQBHXWOUSA-N 2 3 223.364 0.716 20 0 BCADHP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3CCNCC3)CC[C@@H]12 ZINC000647546401 384731517 /nfs/dbraw/zinc/73/15/17/384731517.db2.gz IUAYSMIJXGCGLM-DMDPSCGWSA-N 2 3 223.364 0.716 20 0 BCADHP C[C@H](CCN)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546909 384733650 /nfs/dbraw/zinc/73/36/50/384733650.db2.gz GZTDDHPGCWPBMJ-NOOOWODRSA-N 2 3 211.353 0.701 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000647548079 384749603 /nfs/dbraw/zinc/74/96/03/384749603.db2.gz USRXDWRQKSGOIO-WHOHXGKFSA-N 2 3 211.353 0.701 20 0 BCADHP NC[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000336268343 385502411 /nfs/dbraw/zinc/50/24/11/385502411.db2.gz XMGSIBNCRHBOED-LBPRGKRZSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000336268343 385502414 /nfs/dbraw/zinc/50/24/14/385502414.db2.gz XMGSIBNCRHBOED-LBPRGKRZSA-N 2 3 211.353 0.657 20 0 BCADHP [NH3+]C[C@@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000336268343 385502416 /nfs/dbraw/zinc/50/24/16/385502416.db2.gz XMGSIBNCRHBOED-LBPRGKRZSA-N 2 3 211.353 0.657 20 0 BCADHP [NH3+]C1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000335266646 386305774 /nfs/dbraw/zinc/30/57/74/386305774.db2.gz BWQWFPBVRYCUDQ-MCIGGMRASA-N 2 3 211.353 0.988 20 0 BCADHP C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415056530 386536594 /nfs/dbraw/zinc/53/65/94/386536594.db2.gz QYPBQKUWGPTRCQ-RHYQMDGZSA-N 2 3 211.353 0.796 20 0 BCADHP C[NH2+]CCCN(C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415129376 386636186 /nfs/dbraw/zinc/63/61/86/386636186.db2.gz UNTBKIHPARXERB-RYUDHWBXSA-N 2 3 213.369 0.916 20 0 BCADHP CNCCC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415129376 386636193 /nfs/dbraw/zinc/63/61/93/386636193.db2.gz UNTBKIHPARXERB-RYUDHWBXSA-N 2 3 213.369 0.916 20 0 BCADHP CNCCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415129376 386636198 /nfs/dbraw/zinc/63/61/98/386636198.db2.gz UNTBKIHPARXERB-RYUDHWBXSA-N 2 3 213.369 0.916 20 0 BCADHP C[C@@]1(CNCC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000414837496 386733348 /nfs/dbraw/zinc/73/33/48/386733348.db2.gz KGAVLDYMIXNRPM-OLZOCXBDSA-N 2 3 225.380 0.965 20 0 BCADHP [NH3+][C@@H]1CCCCC[C@H]1NCCN1CC[NH2+]CC1 ZINC000332398925 386977512 /nfs/dbraw/zinc/97/75/12/386977512.db2.gz ZIRTUEKBBQXYCQ-CHWSQXEVSA-N 2 3 240.395 0.141 20 0 BCADHP [NH3+]C[C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000514603387 387009516 /nfs/dbraw/zinc/00/95/16/387009516.db2.gz HQJUVOBLPZUWBX-NEPJUHHUSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000514603387 387009521 /nfs/dbraw/zinc/00/95/21/387009521.db2.gz HQJUVOBLPZUWBX-NEPJUHHUSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000514603387 387009527 /nfs/dbraw/zinc/00/95/27/387009527.db2.gz HQJUVOBLPZUWBX-NEPJUHHUSA-N 2 3 211.353 0.657 20 0 BCADHP [NH3+]C[C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000514603390 387009591 /nfs/dbraw/zinc/00/95/91/387009591.db2.gz HQJUVOBLPZUWBX-RYUDHWBXSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000514603390 387009598 /nfs/dbraw/zinc/00/95/98/387009598.db2.gz HQJUVOBLPZUWBX-RYUDHWBXSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000514603390 387009603 /nfs/dbraw/zinc/00/96/03/387009603.db2.gz HQJUVOBLPZUWBX-RYUDHWBXSA-N 2 3 211.353 0.657 20 0 BCADHP CCC[N@H+](CCOCC[NH3+])C1CCNCC1 ZINC000571882569 387191518 /nfs/dbraw/zinc/19/15/18/387191518.db2.gz IPRYZEHTLISMKT-UHFFFAOYSA-N 2 3 229.368 0.426 20 0 BCADHP CCC[N@@H+](CCOCC[NH3+])C1CCNCC1 ZINC000571882569 387191520 /nfs/dbraw/zinc/19/15/20/387191520.db2.gz IPRYZEHTLISMKT-UHFFFAOYSA-N 2 3 229.368 0.426 20 0 BCADHP CCCN(CCOCC[NH3+])C1CC[NH2+]CC1 ZINC000571882569 387191521 /nfs/dbraw/zinc/19/15/21/387191521.db2.gz IPRYZEHTLISMKT-UHFFFAOYSA-N 2 3 229.368 0.426 20 0 BCADHP C([NH2+][C@H]1CCNC12CCC2)C1CC[NH2+]CC1 ZINC000527531327 387601818 /nfs/dbraw/zinc/60/18/18/387601818.db2.gz DWCRGRJSQWVDFH-LBPRGKRZSA-N 2 3 223.364 0.860 20 0 BCADHP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCNC12CCC2 ZINC000530216145 388630787 /nfs/dbraw/zinc/63/07/87/388630787.db2.gz MWLBXMSQZHACCF-QWRGUYRKSA-N 2 3 211.353 0.988 20 0 BCADHP C(CN1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC000335391809 533364720 /nfs/dbraw/zinc/36/47/20/533364720.db2.gz JCURTFLEXLQYAX-CHWSQXEVSA-N 2 3 223.364 0.671 20 0 BCADHP C(CN1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC000335391813 533365478 /nfs/dbraw/zinc/36/54/78/533365478.db2.gz JCURTFLEXLQYAX-QWHCGFSZSA-N 2 3 223.364 0.671 20 0 BCADHP N[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000261579184 135219645 /nfs/dbraw/zinc/21/96/45/135219645.db2.gz MEIMACNNJLUJSD-GFCCVEGCSA-N 2 3 211.353 0.799 20 0 BCADHP N[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000261579184 135219646 /nfs/dbraw/zinc/21/96/46/135219646.db2.gz MEIMACNNJLUJSD-GFCCVEGCSA-N 2 3 211.353 0.799 20 0 BCADHP C(C1CC[NH2+]CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000334320826 135352321 /nfs/dbraw/zinc/35/23/21/135352321.db2.gz HEZWMCVVNYNXEO-ZDUSSCGKSA-N 2 3 223.364 0.671 20 0 BCADHP C(CN1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC000335391811 136090796 /nfs/dbraw/zinc/09/07/96/136090796.db2.gz JCURTFLEXLQYAX-OLZOCXBDSA-N 2 3 223.364 0.671 20 0 BCADHP NC[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000309612129 411185603 /nfs/dbraw/zinc/18/56/03/411185603.db2.gz MWAPJSTYLWJNAH-LBPRGKRZSA-N 2 3 211.353 0.657 20 0 BCADHP NC[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000309612129 411185607 /nfs/dbraw/zinc/18/56/07/411185607.db2.gz MWAPJSTYLWJNAH-LBPRGKRZSA-N 2 3 211.353 0.657 20 0 BCADHP C(N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663494289 411672968 /nfs/dbraw/zinc/67/29/68/411672968.db2.gz NJAFIEPGRQASNG-CBBWQLFWSA-N 2 3 249.402 0.917 20 0 BCADHP [NH3+]C1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000663500649 411683005 /nfs/dbraw/zinc/68/30/05/411683005.db2.gz MNZGHTXAQUCYNP-UHFFFAOYSA-N 2 3 209.337 0.598 20 0 BCADHP [NH3+]C1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000663500649 411683010 /nfs/dbraw/zinc/68/30/10/411683010.db2.gz MNZGHTXAQUCYNP-UHFFFAOYSA-N 2 3 209.337 0.598 20 0 BCADHP C[C@H](CCCC[NH3+])NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663500298 411684052 /nfs/dbraw/zinc/68/40/52/411684052.db2.gz ZYMSEDFEHOJYAQ-GRYCIOLGSA-N 2 3 211.353 0.703 20 0 BCADHP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C12CC(C1)CN2 ZINC000663501469 411686243 /nfs/dbraw/zinc/68/62/43/411686243.db2.gz WBHMYYPYIOAYGA-ANNIKCPVSA-N 2 3 235.375 0.716 20 0 BCADHP C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000663501469 411686246 /nfs/dbraw/zinc/68/62/46/411686246.db2.gz WBHMYYPYIOAYGA-ANNIKCPVSA-N 2 3 235.375 0.716 20 0 BCADHP C[C@H]1C[C@@H](CN)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000335605243 177323733 /nfs/dbraw/zinc/32/37/33/177323733.db2.gz HTQPASBDBAWNGE-JQWIXIFHSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@H]1C[C@@H](CN)C[N@H+]1CC1CC[NH2+]CC1 ZINC000335605243 177323734 /nfs/dbraw/zinc/32/37/34/177323734.db2.gz HTQPASBDBAWNGE-JQWIXIFHSA-N 2 3 211.353 0.655 20 0 BCADHP C[NH2+]C[C@](C)(O)CN(C)CCCCCC[NH3+] ZINC000872155340 589885654 /nfs/dbraw/zinc/88/56/54/589885654.db2.gz JLFUYJSTURCPAK-LBPRGKRZSA-N 2 3 231.384 0.408 20 0 BCADHP CNC[C@](C)(O)C[N@H+](C)CCCCCC[NH3+] ZINC000872155340 589885656 /nfs/dbraw/zinc/88/56/56/589885656.db2.gz JLFUYJSTURCPAK-LBPRGKRZSA-N 2 3 231.384 0.408 20 0 BCADHP CNC[C@](C)(O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155340 589885657 /nfs/dbraw/zinc/88/56/57/589885657.db2.gz JLFUYJSTURCPAK-LBPRGKRZSA-N 2 3 231.384 0.408 20 0 BCADHP C[C@H](N)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363660 487933387 /nfs/dbraw/zinc/93/33/87/487933387.db2.gz KOMNAMJLGPDRNB-RVMXOQNASA-N 2 3 241.379 0.694 20 0 BCADHP C[C@H](N)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363660 487933390 /nfs/dbraw/zinc/93/33/90/487933390.db2.gz KOMNAMJLGPDRNB-RVMXOQNASA-N 2 3 241.379 0.694 20 0 BCADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843344330 582534869 /nfs/dbraw/zinc/53/48/69/582534869.db2.gz WDXNILDWSUFZKC-RWMBFGLXSA-N 2 3 243.395 0.847 20 0 BCADHP C[NH2+]CCOCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902397627 584585275 /nfs/dbraw/zinc/58/52/75/584585275.db2.gz NLSVZAAYGIXWSU-GFCCVEGCSA-N 2 3 243.395 0.590 20 0 BCADHP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](C[NH3+])C1)[NH2+]2 ZINC000902487538 584625780 /nfs/dbraw/zinc/62/57/80/584625780.db2.gz JRMBEVVDXBYPRZ-OJEZURLMSA-N 2 3 223.364 0.842 20 0 BCADHP [NH3+]C[C@@H]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903716543 584791867 /nfs/dbraw/zinc/79/18/67/584791867.db2.gz OPTYMLYEQAUGHK-YNEHKIRRSA-N 2 3 239.363 0.036 20 0 BCADHP [NH3+]C[C@@H]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903716541 584791915 /nfs/dbraw/zinc/79/19/15/584791915.db2.gz OPTYMLYEQAUGHK-RWMBFGLXSA-N 2 3 239.363 0.036 20 0 BCADHP N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000903842963 584807768 /nfs/dbraw/zinc/80/77/68/584807768.db2.gz YWHJGLPTXDOVSE-RVMXOQNASA-N 2 3 223.364 0.798 20 0 BCADHP N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000903842963 584807769 /nfs/dbraw/zinc/80/77/69/584807769.db2.gz YWHJGLPTXDOVSE-RVMXOQNASA-N 2 3 223.364 0.798 20 0 BCADHP C[C@@H](CN)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920728 584823113 /nfs/dbraw/zinc/82/31/13/584823113.db2.gz WWYIAGXLBODBGD-YEJSDXFRSA-N 2 3 211.353 0.701 20 0 BCADHP C[NH2+]C[C@H](C)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932726 584824898 /nfs/dbraw/zinc/82/48/98/584824898.db2.gz GBLJLXKKQZJPPG-YEJSDXFRSA-N 2 3 211.353 0.715 20 0 BCADHP C[C@@H]1CN(C[C@]23C[C@H]2C[NH2+]C3)C[C@H]1CC[NH3+] ZINC000903978094 584832908 /nfs/dbraw/zinc/83/29/08/584832908.db2.gz FJFWHCFTDVQIBU-FVCCEPFGSA-N 2 3 223.364 0.513 20 0 BCADHP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903978844 584832964 /nfs/dbraw/zinc/83/29/64/584832964.db2.gz YSPXDRVVNGFNFA-JHJVBQTASA-N 2 3 225.380 0.903 20 0 BCADHP C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299898 584860466 /nfs/dbraw/zinc/86/04/66/584860466.db2.gz QWYALPGGHDZLFD-NNYUYHANSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@H](N)[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299898 584860468 /nfs/dbraw/zinc/86/04/68/584860468.db2.gz QWYALPGGHDZLFD-NNYUYHANSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@H](N)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299898 584860469 /nfs/dbraw/zinc/86/04/69/584860469.db2.gz QWYALPGGHDZLFD-NNYUYHANSA-N 2 3 211.353 0.783 20 0 BCADHP C[C@H]([NH2+]C1CC(C[NH3+])C1)[C@H]1CCCNC1 ZINC000904353182 584869990 /nfs/dbraw/zinc/86/99/90/584869990.db2.gz HVDVRYINFLCNSV-VOBJUBJWSA-N 2 3 211.353 0.701 20 0 BCADHP CC(C)C[C@H](C[NH3+])NC1CCN(CC[NH3+])CC1 ZINC000904354467 584870301 /nfs/dbraw/zinc/87/03/01/584870301.db2.gz ZEPIEWZPRLFGNG-CYBMUJFWSA-N 2 3 242.411 0.373 20 0 BCADHP CC1(C)CNCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904354802 584870725 /nfs/dbraw/zinc/87/07/25/584870725.db2.gz GTPVGFOHWCXAKX-AXFHLTTASA-N 2 3 211.353 0.701 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCNC[C@@H]3C2)C1 ZINC000904420365 584882311 /nfs/dbraw/zinc/88/23/11/584882311.db2.gz LYQHZUHRLZTKJT-NNYUYHANSA-N 2 3 209.337 0.265 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCNC[C@@H]3C2)C1 ZINC000904420365 584882313 /nfs/dbraw/zinc/88/23/13/584882313.db2.gz LYQHZUHRLZTKJT-NNYUYHANSA-N 2 3 209.337 0.265 20 0 BCADHP CC(C)(C)[C@]1(C[NH3+])CCN(CCOCC[NH3+])C1 ZINC000866706238 589514809 /nfs/dbraw/zinc/51/48/09/589514809.db2.gz GPDGIDPKLUZHRV-ZDUSSCGKSA-N 2 3 243.395 0.659 20 0 BCADHP NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248425 590007004 /nfs/dbraw/zinc/00/70/04/590007004.db2.gz ACJQWYPENUOAIO-NNYUYHANSA-N 2 3 211.353 0.831 20 0 BCADHP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCNC1 ZINC000873251196 590008375 /nfs/dbraw/zinc/00/83/75/590008375.db2.gz VABSXFHYJJPABO-WYUUTHIRSA-N 2 3 211.353 0.701 20 0 BCADHP NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873254676 590010002 /nfs/dbraw/zinc/01/00/02/590010002.db2.gz ACJQWYPENUOAIO-FIQHERPVSA-N 2 3 211.353 0.831 20 0 BCADHP C[NH2+]CCOCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925717653 634454460 /nfs/dbraw/zinc/45/44/60/634454460.db2.gz CNOWFQXCZOZOGU-WDEREUQCSA-N 2 3 227.352 0.082 20 0 BCADHP CN(C[C@@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)C[NH3+] ZINC000923294428 644332183 /nfs/dbraw/zinc/33/21/83/644332183.db2.gz LNWKIUCOJLFOBU-NSHDSACASA-N 2 3 241.379 0.282 20 0 BCADHP [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923383308 644393824 /nfs/dbraw/zinc/39/38/24/644393824.db2.gz YUJVNMIYLYSINW-IJLUTSLNSA-N 2 3 239.363 0.224 20 0 BCADHP C[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923499851 644472847 /nfs/dbraw/zinc/47/28/47/644472847.db2.gz MMDINTJWVPOXNK-WOPDTQHZSA-N 2 3 211.353 0.513 20 0 BCADHP [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)C1 ZINC000925707664 646432715 /nfs/dbraw/zinc/43/27/15/646432715.db2.gz MHWBPJQCECHYEP-LZRJYULZSA-N 2 3 235.375 0.700 20 0 BCADHP [NH3+]CCCOCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925719733 646444576 /nfs/dbraw/zinc/44/45/76/646444576.db2.gz VIOFEKIWCJQQQH-QWRGUYRKSA-N 2 3 227.352 0.211 20 0 BCADHP COC[C@@H](CCC[NH3+])NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925783009 646479484 /nfs/dbraw/zinc/47/94/84/646479484.db2.gz APLLTWWRXFQZMD-GRYCIOLGSA-N 2 3 229.368 0.185 20 0 BCADHP NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879380 711761998 /nfs/dbraw/zinc/76/19/98/711761998.db2.gz CQYKPBAWAJDZKC-RHYQMDGZSA-N 2 3 211.353 0.831 20 0 BCADHP C[C@H]([NH3+])C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000381708835 398270550 /nfs/dbraw/zinc/27/05/50/398270550.db2.gz JXVFPKCMAOZGIJ-WDEREUQCSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@H]1C[NH2+]CC[C@@H]1C[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000634733747 344113770 /nfs/dbraw/zinc/11/37/70/344113770.db2.gz MUNPLJPMZNVAEF-DGAVXFQQSA-N 2 3 237.391 0.964 20 0 BCADHP C[C@@H]1C[C@@H]([NH3+])CCN1CC1CC[NH2+]CC1 ZINC000309464907 347069545 /nfs/dbraw/zinc/06/95/45/347069545.db2.gz PTDCCCMWGCWDMM-PWSUYJOCSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1C[C@@H](N)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000309464907 347069547 /nfs/dbraw/zinc/06/95/47/347069547.db2.gz PTDCCCMWGCWDMM-PWSUYJOCSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1C[C@@H](N)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000309464907 347069550 /nfs/dbraw/zinc/06/95/50/347069550.db2.gz PTDCCCMWGCWDMM-PWSUYJOCSA-N 2 3 211.353 0.798 20 0 BCADHP [NH3+]C[C@@H]1CN(CCC2CC[NH2+]CC2)CCCO1 ZINC000580328745 347166046 /nfs/dbraw/zinc/16/60/46/347166046.db2.gz CXHHIZMXWNIKEY-CYBMUJFWSA-N 2 3 241.379 0.426 20 0 BCADHP C(CN[C@H]1CCC[NH2+]C1)C[C@H]1CCC[NH2+]1 ZINC000414957905 352378679 /nfs/dbraw/zinc/37/86/79/352378679.db2.gz CDCHIDAVXSRUFW-NEPJUHHUSA-N 2 3 211.353 0.860 20 0 BCADHP [NH3+]CCOCCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420364662 192224802 /nfs/dbraw/zinc/22/48/02/192224802.db2.gz KKEHSMYHRYFDPW-LBPRGKRZSA-N 2 3 229.368 0.459 20 0 BCADHP C[NH2+]CCOCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000629531405 361149316 /nfs/dbraw/zinc/14/93/16/361149316.db2.gz KBVBBLUIOHNLET-WDEREUQCSA-N 2 3 215.341 0.082 20 0 BCADHP C[NH2+]CCOCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000629531812 361150144 /nfs/dbraw/zinc/15/01/44/361150144.db2.gz YWRVLSHXLWZZML-RYUDHWBXSA-N 2 3 229.368 0.330 20 0 BCADHP C[NH2+]CCOCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000629531812 361150148 /nfs/dbraw/zinc/15/01/48/361150148.db2.gz YWRVLSHXLWZZML-RYUDHWBXSA-N 2 3 229.368 0.330 20 0 BCADHP NC[C@H]1CCCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629539223 361405254 /nfs/dbraw/zinc/40/52/54/361405254.db2.gz PADIDZZLWMSGFV-NEPJUHHUSA-N 2 3 229.368 0.459 20 0 BCADHP [NH3+]CCCOCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000629539223 361405259 /nfs/dbraw/zinc/40/52/59/361405259.db2.gz PADIDZZLWMSGFV-NEPJUHHUSA-N 2 3 229.368 0.459 20 0 BCADHP C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CN1 ZINC000629553615 361438878 /nfs/dbraw/zinc/43/88/78/361438878.db2.gz BMVSODYCIXCVSY-WRWGMCAJSA-N 2 3 209.337 0.326 20 0 BCADHP C[C@]12C[NH2+]C[C@@]1(C)CN(CC[C@@H]1CC[NH2+]C1)C2 ZINC000629593188 361484948 /nfs/dbraw/zinc/48/49/48/361484948.db2.gz HQRBVDUVWNBVEJ-MELADBBJSA-N 2 3 237.391 0.917 20 0 BCADHP C[C@@H]1CC[C@@H](NCC2CC[NH2+]CC2)C[NH2+]1 ZINC000629660313 361565854 /nfs/dbraw/zinc/56/58/54/361565854.db2.gz RJRRLUUTVOSUDB-ZYHUDNBSSA-N 2 3 211.353 0.716 20 0 BCADHP N[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000574219094 365013707 /nfs/dbraw/zinc/01/37/07/365013707.db2.gz NFCODETUVVFJGK-TUAOUCFPSA-N 2 3 211.353 0.846 20 0 BCADHP C[C@@H]1C[C@H](N)CC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000579607612 366906262 /nfs/dbraw/zinc/90/62/62/366906262.db2.gz HEJJKKAMYXUJPR-GRYCIOLGSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1C[C@H](N)CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000579607612 366906270 /nfs/dbraw/zinc/90/62/70/366906270.db2.gz HEJJKKAMYXUJPR-GRYCIOLGSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000631837962 369107563 /nfs/dbraw/zinc/10/75/63/369107563.db2.gz HQUPWYBXXMZMDQ-JHJVBQTASA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1CN ZINC000631837962 369107565 /nfs/dbraw/zinc/10/75/65/369107565.db2.gz HQUPWYBXXMZMDQ-JHJVBQTASA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]([NH3+])[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000309833358 370259372 /nfs/dbraw/zinc/25/93/72/370259372.db2.gz ZFPMKYQWZAJWRZ-MNOVXSKESA-N 2 3 215.341 0.021 20 0 BCADHP [NH3+][C@@]12CCC[C@@H]1CN(CC1CC[NH2+]CC1)C2 ZINC000621777482 370527358 /nfs/dbraw/zinc/52/73/58/370527358.db2.gz CYFWDHPMYWEGFW-CHWSQXEVSA-N 2 3 223.364 0.799 20 0 BCADHP OCC[NH2+]C1CCN(CC2CC[NH2+]CC2)CC1 ZINC000631862000 372663225 /nfs/dbraw/zinc/66/32/25/372663225.db2.gz CUVNJJLLDMQZLX-UHFFFAOYSA-N 2 3 241.379 0.032 20 0 BCADHP [NH3+]CCCOC1CCN(CCC[NH3+])CC1 ZINC000647506361 384296269 /nfs/dbraw/zinc/29/62/69/384296269.db2.gz NBDABWJJGOHCTC-UHFFFAOYSA-N 2 3 215.341 0.165 20 0 BCADHP CC[NH2+]CCN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546371 384731176 /nfs/dbraw/zinc/73/11/76/384731176.db2.gz HTBKSEKWYLKKFK-IJLUTSLNSA-N 2 3 211.353 0.574 20 0 BCADHP CNCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546346 384731779 /nfs/dbraw/zinc/73/17/79/384731779.db2.gz HBDCNUZVEUQSTQ-GRYCIOLGSA-N 2 3 211.353 0.574 20 0 BCADHP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCNC1 ZINC000647546713 384732793 /nfs/dbraw/zinc/73/27/93/384732793.db2.gz XHASCUMQPLOKDT-ZOBORPQBSA-N 2 3 237.391 0.964 20 0 BCADHP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCNC1 ZINC000647546711 384733181 /nfs/dbraw/zinc/73/31/81/384733181.db2.gz XHASCUMQPLOKDT-XJFOESAGSA-N 2 3 237.391 0.964 20 0 BCADHP [NH3+]Cc1ccc(CNCC2(C[NH3+])CC2)cc1 ZINC000647553182 384769252 /nfs/dbraw/zinc/76/92/52/384769252.db2.gz GQMWDGHOHDGHJP-UHFFFAOYSA-N 2 3 219.332 0.974 20 0 BCADHP CC[NH2+]CC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647854913 385910548 /nfs/dbraw/zinc/91/05/48/385910548.db2.gz JCZPFWSBFUQTSH-CYBMUJFWSA-N 2 3 225.380 0.917 20 0 BCADHP C[NH2+]C[C@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000647836740 385880017 /nfs/dbraw/zinc/88/00/17/385880017.db2.gz OREPBVOCMINYTF-CHWSQXEVSA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647836740 385880020 /nfs/dbraw/zinc/88/00/20/385880020.db2.gz OREPBVOCMINYTF-CHWSQXEVSA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647836740 385880023 /nfs/dbraw/zinc/88/00/23/385880023.db2.gz OREPBVOCMINYTF-CHWSQXEVSA-N 2 3 225.380 0.917 20 0 BCADHP C[NH2+]C[C@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647836742 385880975 /nfs/dbraw/zinc/88/09/75/385880975.db2.gz OREPBVOCMINYTF-QWHCGFSZSA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647836742 385880978 /nfs/dbraw/zinc/88/09/78/385880978.db2.gz OREPBVOCMINYTF-QWHCGFSZSA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647836742 385880982 /nfs/dbraw/zinc/88/09/82/385880982.db2.gz OREPBVOCMINYTF-QWHCGFSZSA-N 2 3 225.380 0.917 20 0 BCADHP [NH3+]CC1(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000414662525 386099099 /nfs/dbraw/zinc/09/90/99/386099099.db2.gz AGBICAHENZGLII-TUAOUCFPSA-N 2 3 223.364 0.785 20 0 BCADHP CC[NH+](CC)CCO[C@@H]1CCN(CCC[NH3+])C1 ZINC000414748495 386350939 /nfs/dbraw/zinc/35/09/39/386350939.db2.gz URCHUXKULFNJKK-CYBMUJFWSA-N 2 3 243.395 0.768 20 0 BCADHP [NH3+]CCCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000414767882 386443730 /nfs/dbraw/zinc/44/37/30/386443730.db2.gz JNYDVADGRGQFEC-LBPRGKRZSA-N 2 3 211.353 0.657 20 0 BCADHP C[C@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1[NH3+] ZINC000414760228 386413593 /nfs/dbraw/zinc/41/35/93/386413593.db2.gz GUUMQBUJJWONIS-IRCOFANPSA-N 2 3 211.353 0.654 20 0 BCADHP [NH3+]CCCN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774747 386472682 /nfs/dbraw/zinc/47/26/82/386472682.db2.gz FWJXRFOGCQDXQF-VXGBXAGGSA-N 2 3 211.353 0.657 20 0 BCADHP NCCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774747 386472687 /nfs/dbraw/zinc/47/26/87/386472687.db2.gz FWJXRFOGCQDXQF-VXGBXAGGSA-N 2 3 211.353 0.657 20 0 BCADHP NCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774747 386472692 /nfs/dbraw/zinc/47/26/92/386472692.db2.gz FWJXRFOGCQDXQF-VXGBXAGGSA-N 2 3 211.353 0.657 20 0 BCADHP CNC[C@@](C)(O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000519544371 386481490 /nfs/dbraw/zinc/48/14/90/386481490.db2.gz JGTKUIBSOAVGNM-CYBMUJFWSA-N 2 3 243.395 0.230 20 0 BCADHP C[C@@H]1C[C@H](CN)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000647905022 386583152 /nfs/dbraw/zinc/58/31/52/386583152.db2.gz LLTMALKATFMWDJ-IJLUTSLNSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@H](CN)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000647905022 386583154 /nfs/dbraw/zinc/58/31/54/386583154.db2.gz LLTMALKATFMWDJ-IJLUTSLNSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@H](C[NH3+])CN1CC[C@H]1CC[NH2+]C1 ZINC000647905022 386583160 /nfs/dbraw/zinc/58/31/60/386583160.db2.gz LLTMALKATFMWDJ-IJLUTSLNSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414791761 386549760 /nfs/dbraw/zinc/54/97/60/386549760.db2.gz QYPBQKUWGPTRCQ-KXNHARMFSA-N 2 3 211.353 0.796 20 0 BCADHP C[NH2+]CCCN(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415129377 386635632 /nfs/dbraw/zinc/63/56/32/386635632.db2.gz UNTBKIHPARXERB-VXGBXAGGSA-N 2 3 213.369 0.916 20 0 BCADHP CNCCC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415129377 386635636 /nfs/dbraw/zinc/63/56/36/386635636.db2.gz UNTBKIHPARXERB-VXGBXAGGSA-N 2 3 213.369 0.916 20 0 BCADHP CNCCC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415129377 386635638 /nfs/dbraw/zinc/63/56/38/386635638.db2.gz UNTBKIHPARXERB-VXGBXAGGSA-N 2 3 213.369 0.916 20 0 BCADHP C[C@@]1(C[NH3+])CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000647954731 386681550 /nfs/dbraw/zinc/68/15/50/386681550.db2.gz UPHXJZGKZWLELD-NEPJUHHUSA-N 2 3 211.353 0.657 20 0 BCADHP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC000647907741 386699054 /nfs/dbraw/zinc/69/90/54/386699054.db2.gz NYCYNNIHSJQHON-FVCCEPFGSA-N 2 3 223.364 0.655 20 0 BCADHP C(C[C@@H]1CC[NH2+]C1)[NH2+]C[C@H]1CCCNC1 ZINC000414828693 386701261 /nfs/dbraw/zinc/70/12/61/386701261.db2.gz JHQCFXQSRFOIIU-RYUDHWBXSA-N 2 3 211.353 0.575 20 0 BCADHP C(C[C@@H]1CC[NH2+]C1)[NH2+]C[C@@H]1CCCNC1 ZINC000414828692 386702016 /nfs/dbraw/zinc/70/20/16/386702016.db2.gz JHQCFXQSRFOIIU-NWDGAFQWSA-N 2 3 211.353 0.575 20 0 BCADHP C[C@@]1(CNCC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000414837500 386733358 /nfs/dbraw/zinc/73/33/58/386733358.db2.gz KGAVLDYMIXNRPM-STQMWFEESA-N 2 3 225.380 0.965 20 0 BCADHP NCC1(C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000334849348 386898641 /nfs/dbraw/zinc/89/86/41/386898641.db2.gz PROHMCBSVJYNIM-UHFFFAOYSA-N 2 3 223.364 0.801 20 0 BCADHP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1CN ZINC000334817922 386945436 /nfs/dbraw/zinc/94/54/36/386945436.db2.gz ADYRUYNGEQSTPX-YPMHNXCESA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1CN ZINC000334817922 386945441 /nfs/dbraw/zinc/94/54/41/386945441.db2.gz ADYRUYNGEQSTPX-YPMHNXCESA-N 2 3 225.380 0.903 20 0 BCADHP C[NH2+]C[C@@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000572243109 387286166 /nfs/dbraw/zinc/28/61/66/387286166.db2.gz MBYKMUJQKQGDAT-ZDUSSCGKSA-N 2 3 225.380 0.917 20 0 BCADHP C[C@@H]1CC[NH2+]C[C@@H]1NCCC1=CC[NH2+]CC1 ZINC000423546999 387369819 /nfs/dbraw/zinc/36/98/19/387369819.db2.gz ZWBCXAWOUQGCPV-YPMHNXCESA-N 2 3 223.364 0.884 20 0 BCADHP N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000656193081 411198502 /nfs/dbraw/zinc/19/85/02/411198502.db2.gz MBRBAMNOFNYWSI-GRYCIOLGSA-N 2 3 223.364 0.988 20 0 BCADHP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000656193081 411198504 /nfs/dbraw/zinc/19/85/04/411198504.db2.gz MBRBAMNOFNYWSI-GRYCIOLGSA-N 2 3 223.364 0.988 20 0 BCADHP [NH3+]CC[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663492682 411671322 /nfs/dbraw/zinc/67/13/22/411671322.db2.gz AZNMAYDATAOPPR-XQQFMLRXSA-N 2 3 223.364 0.657 20 0 BCADHP C(C[C@H]1CC[NH2+]C1)NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495602 411675675 /nfs/dbraw/zinc/67/56/75/411675675.db2.gz ZQHJFCWPKKTEGW-IJLUTSLNSA-N 2 3 209.337 0.185 20 0 BCADHP [NH3+]CC1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000663501500 411685685 /nfs/dbraw/zinc/68/56/85/411685685.db2.gz WROTYMUEECGMQV-UHFFFAOYSA-N 2 3 223.364 0.846 20 0 BCADHP [NH3+]CC1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000663501500 411685688 /nfs/dbraw/zinc/68/56/88/411685688.db2.gz WROTYMUEECGMQV-UHFFFAOYSA-N 2 3 223.364 0.846 20 0 BCADHP C[C@@H]1C[C@@H](CN)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000335605244 176367819 /nfs/dbraw/zinc/36/78/19/176367819.db2.gz HTQPASBDBAWNGE-PWSUYJOCSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@@H]1C[C@@H](CN)C[N@H+]1CC1CC[NH2+]CC1 ZINC000335605244 176367820 /nfs/dbraw/zinc/36/78/20/176367820.db2.gz HTQPASBDBAWNGE-PWSUYJOCSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@H]1CN(CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000309771425 177246002 /nfs/dbraw/zinc/24/60/02/177246002.db2.gz KNVPLRFXWKCQTQ-JQWIXIFHSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1N ZINC000309771425 177246003 /nfs/dbraw/zinc/24/60/03/177246003.db2.gz KNVPLRFXWKCQTQ-JQWIXIFHSA-N 2 3 211.353 0.655 20 0 BCADHP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1N ZINC000309771425 177246005 /nfs/dbraw/zinc/24/60/05/177246005.db2.gz KNVPLRFXWKCQTQ-JQWIXIFHSA-N 2 3 211.353 0.655 20 0 BCADHP C[NH+](C)CCC1CCN(CCC[NH3+])CC1 ZINC000414696815 487818112 /nfs/dbraw/zinc/81/81/12/487818112.db2.gz WCSAMZMGWAKRRD-UHFFFAOYSA-N 2 3 213.369 0.999 20 0 BCADHP NCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652364133 487933243 /nfs/dbraw/zinc/93/32/43/487933243.db2.gz ZBIBWFNUHDGDTP-UTUOFQBUSA-N 2 3 227.352 0.306 20 0 BCADHP NCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652364133 487933247 /nfs/dbraw/zinc/93/32/47/487933247.db2.gz ZBIBWFNUHDGDTP-UTUOFQBUSA-N 2 3 227.352 0.306 20 0 BCADHP C(N1CCC2(CC[NH2+]C2)CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494497 488044146 /nfs/dbraw/zinc/04/41/46/488044146.db2.gz OSZZQSMULGEDRA-OCCSQVGLSA-N 2 3 235.375 0.671 20 0 BCADHP [NH3+]C[C@@H]1CC[C@H](NC[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663498834 488047505 /nfs/dbraw/zinc/04/75/05/488047505.db2.gz UGTVLFZRMDHCMJ-NOOOWODRSA-N 2 3 209.337 0.313 20 0 BCADHP C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843344332 582534729 /nfs/dbraw/zinc/53/47/29/582534729.db2.gz WDXNILDWSUFZKC-YNEHKIRRSA-N 2 3 243.395 0.847 20 0 BCADHP C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490789 584617899 /nfs/dbraw/zinc/61/78/99/584617899.db2.gz VRBDQYCLHCTAOT-DDHJBXDOSA-N 2 3 211.353 0.701 20 0 BCADHP [NH3+]C[C@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000902487183 584625983 /nfs/dbraw/zinc/62/59/83/584625983.db2.gz JKOFUNPLSSFXBF-GWOFURMSSA-N 2 3 209.337 0.583 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C[NH3+])CC1 ZINC000903420977 584763807 /nfs/dbraw/zinc/76/38/07/584763807.db2.gz ITOFYYHYKWPYKL-PWSUYJOCSA-N 2 3 211.353 0.513 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC(CC[NH3+])CC1 ZINC000903461009 584766487 /nfs/dbraw/zinc/76/64/87/584766487.db2.gz LVWJJDWNXDJFOL-YPMHNXCESA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000903447327 584770527 /nfs/dbraw/zinc/77/05/27/584770527.db2.gz OKUHIPSJKSECEI-QMVSFRDZSA-N 2 3 237.391 0.901 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](CC[NH3+])C1 ZINC000903449858 584771050 /nfs/dbraw/zinc/77/10/50/584771050.db2.gz IWVNRENEQWVBSP-UPJWGTAASA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1C[N@H+](C[C@@H]2CCCNC2)C[C@H]1CC[NH3+] ZINC000903494307 584780925 /nfs/dbraw/zinc/78/09/25/584780925.db2.gz BOAAAEKTUWGPDE-JHJVBQTASA-N 2 3 225.380 0.903 20 0 BCADHP C[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)C[C@H]1CC[NH3+] ZINC000903494307 584780927 /nfs/dbraw/zinc/78/09/27/584780927.db2.gz BOAAAEKTUWGPDE-JHJVBQTASA-N 2 3 225.380 0.903 20 0 BCADHP [NH3+]C[C@@H]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903716542 584791631 /nfs/dbraw/zinc/79/16/31/584791631.db2.gz OPTYMLYEQAUGHK-XQQFMLRXSA-N 2 3 239.363 0.036 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCNCC1 ZINC000903979110 584833145 /nfs/dbraw/zinc/83/31/45/584833145.db2.gz VWTXXEBXXJSAMJ-JHJVBQTASA-N 2 3 225.380 0.964 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CCN[C@H]1C[NH2+]C[C@H](C)C1 ZINC000903979207 584833675 /nfs/dbraw/zinc/83/36/75/584833675.db2.gz YPWFMLHQAPUHDW-FDYHWXHSSA-N 2 3 225.380 0.820 20 0 BCADHP [NH3+]Cc1ccc(CN2CC[C@H](C[NH3+])C2)cc1 ZINC000904299804 584860580 /nfs/dbraw/zinc/86/05/80/584860580.db2.gz OSMUJEZOCOFWHM-CYBMUJFWSA-N 2 3 219.332 0.926 20 0 BCADHP C[C@H](N)[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904354283 584870245 /nfs/dbraw/zinc/87/02/45/584870245.db2.gz DKXHFJOEMKNENF-UWVGGRQHSA-N 2 3 207.321 0.971 20 0 BCADHP C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904354282 584870346 /nfs/dbraw/zinc/87/03/46/584870346.db2.gz DKXHFJOEMKNENF-NXEZZACHSA-N 2 3 207.321 0.971 20 0 BCADHP C[C@@]1(C[NH2+]C2CC(C[NH3+])C2)CCCNC1 ZINC000904355001 584870679 /nfs/dbraw/zinc/87/06/79/584870679.db2.gz JMCRESOHUTZIFE-HTAVTVPLSA-N 2 3 211.353 0.703 20 0 BCADHP [NH3+]CCN1CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000904355196 584870717 /nfs/dbraw/zinc/87/07/17/584870717.db2.gz LLXURZYDFQYTMJ-LBPRGKRZSA-N 2 3 240.395 0.141 20 0 BCADHP C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1CN ZINC000904371332 584873054 /nfs/dbraw/zinc/87/30/54/584873054.db2.gz MSEMUFGYVAHBCE-WYUUTHIRSA-N 2 3 211.353 0.640 20 0 BCADHP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1CN ZINC000904371332 584873055 /nfs/dbraw/zinc/87/30/55/584873055.db2.gz MSEMUFGYVAHBCE-WYUUTHIRSA-N 2 3 211.353 0.640 20 0 BCADHP C[C@@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000904371332 584873056 /nfs/dbraw/zinc/87/30/56/584873056.db2.gz MSEMUFGYVAHBCE-WYUUTHIRSA-N 2 3 211.353 0.640 20 0 BCADHP C[C@@H](N)C[C@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904374770 584874560 /nfs/dbraw/zinc/87/45/60/584874560.db2.gz WPZKZEXCGLVMJF-MNOVXSKESA-N 2 3 228.384 0.125 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000904380134 584876646 /nfs/dbraw/zinc/87/66/46/584876646.db2.gz IQRQAANOVLTQTI-YFKTTZPYSA-N 2 3 209.337 0.537 20 0 BCADHP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000904410960 584879061 /nfs/dbraw/zinc/87/90/61/584879061.db2.gz RWSVXDQUECZGPO-JHJVBQTASA-N 2 3 225.380 0.903 20 0 BCADHP C[C@]12C[NH2+]C[C@H]1CN(CC[C@H]1CCC[NH2+]C1)C2 ZINC000872154149 589886026 /nfs/dbraw/zinc/88/60/26/589886026.db2.gz PDFICPXOGYVCRX-HZSPNIEDSA-N 2 3 237.391 0.917 20 0 BCADHP NC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248426 590006341 /nfs/dbraw/zinc/00/63/41/590006341.db2.gz ACJQWYPENUOAIO-WISYIIOYSA-N 2 3 211.353 0.831 20 0 BCADHP C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000873248686 590007217 /nfs/dbraw/zinc/00/72/17/590007217.db2.gz DOJLAMDPNRNJCK-NNYUYHANSA-N 2 3 211.353 0.844 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000873251208 590008642 /nfs/dbraw/zinc/00/86/42/590008642.db2.gz KGLJNMWLYHXWJE-RNJOBUHISA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000873251208 590008645 /nfs/dbraw/zinc/00/86/45/590008645.db2.gz KGLJNMWLYHXWJE-RNJOBUHISA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000873251208 590008647 /nfs/dbraw/zinc/00/86/47/590008647.db2.gz KGLJNMWLYHXWJE-RNJOBUHISA-N 2 3 223.364 0.940 20 0 BCADHP C[C@@H]([NH2+][C@@H](C)C1CNC1)C1CC[NH2+]CC1 ZINC000873269040 590009454 /nfs/dbraw/zinc/00/94/54/590009454.db2.gz CEWNCIHQMXRUKR-ZJUUUORDSA-N 2 3 211.353 0.572 20 0 BCADHP [NH3+]CCOCC[N@@H+]1CCNCCC12CCC2 ZINC000883459263 591674633 /nfs/dbraw/zinc/67/46/33/591674633.db2.gz QCDVPACHUVIGEI-UHFFFAOYSA-N 2 3 227.352 0.180 20 0 BCADHP [NH3+]CCOCC[N@H+]1CCNCCC12CCC2 ZINC000883459263 591674634 /nfs/dbraw/zinc/67/46/34/591674634.db2.gz QCDVPACHUVIGEI-UHFFFAOYSA-N 2 3 227.352 0.180 20 0 BCADHP [NH3+][C@H]1C[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925726710 634522711 /nfs/dbraw/zinc/52/27/11/634522711.db2.gz KCXLXWKAKQRDRB-XDQOZGBTSA-N 2 3 221.348 0.310 20 0 BCADHP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC[NH2+]CC1 ZINC000925687714 634303251 /nfs/dbraw/zinc/30/32/51/634303251.db2.gz AFJQWHZAEOBSSB-MEBFFEOJSA-N 2 3 235.375 0.572 20 0 BCADHP [NH3+]CCCOCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925719732 646443933 /nfs/dbraw/zinc/44/39/33/646443933.db2.gz VIOFEKIWCJQQQH-MNOVXSKESA-N 2 3 227.352 0.211 20 0 BCADHP C[C@@H]1NCC[C@H]1[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925719453 646444629 /nfs/dbraw/zinc/44/46/29/646444629.db2.gz RXWQCCABKFGXKL-WTHWOGDNSA-N 2 3 239.363 0.079 20 0 BCADHP C[C@@H]1NCC[C@H]1[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925719450 646444954 /nfs/dbraw/zinc/44/49/54/646444954.db2.gz RXWQCCABKFGXKL-ASHHDVGLSA-N 2 3 239.363 0.079 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925726967 646452418 /nfs/dbraw/zinc/45/24/18/646452418.db2.gz MERRBGXJKKGQAB-OUAUKWLOSA-N 2 3 209.337 0.598 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000925798420 646486506 /nfs/dbraw/zinc/48/65/06/646486506.db2.gz WPKRXWMAZLKBLJ-LPWJVIDDSA-N 2 3 225.380 0.949 20 0 BCADHP [NH3+]C[C@@H]1CCC[C@H]1NCCN1CCC([NH3+])CC1 ZINC000925817742 646493682 /nfs/dbraw/zinc/49/36/82/646493682.db2.gz WHJHLHYALAEEAO-WCQYABFASA-N 2 3 240.395 0.127 20 0 BCADHP C[C@@H]([NH3+])C[C@H](C)NCCN1CCC([NH3+])CC1 ZINC000925817454 646494418 /nfs/dbraw/zinc/49/44/18/646494418.db2.gz SMXHRCWOVRCGIY-MNOVXSKESA-N 2 3 228.384 0.125 20 0 BCADHP [NH3+]CC[C@H]1CC[N@H+](CCCNC2CC2)C1 ZINC000923479155 712334369 /nfs/dbraw/zinc/33/43/69/712334369.db2.gz MSPCNOGZSNUXER-NSHDSACASA-N 2 3 211.353 0.799 20 0 BCADHP [NH3+]CC[C@H]1CC[N@@H+](CCCNC2CC2)C1 ZINC000923479155 712334371 /nfs/dbraw/zinc/33/43/71/712334371.db2.gz MSPCNOGZSNUXER-NSHDSACASA-N 2 3 211.353 0.799 20 0 BCADHP [NH3+]CC[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923479155 712334372 /nfs/dbraw/zinc/33/43/72/712334372.db2.gz MSPCNOGZSNUXER-NSHDSACASA-N 2 3 211.353 0.799 20 0 BCADHP COC[C@]1(CNCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000576992493 365745828 /nfs/dbraw/zinc/74/58/28/365745828.db2.gz QFEYUOKDSQJDEG-CYBMUJFWSA-N 2 3 241.379 0.344 20 0 BCADHP C(CN1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000582122920 344425365 /nfs/dbraw/zinc/42/53/65/344425365.db2.gz QRUSLXBAWZADBS-RWMBFGLXSA-N 2 3 223.364 0.527 20 0 BCADHP CC(C)[C@@H](CN)C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000634995060 345183803 /nfs/dbraw/zinc/18/38/03/345183803.db2.gz TXPVZFDZEUKJGB-RYUDHWBXSA-N 2 3 213.369 0.807 20 0 BCADHP NCC1(C[NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000634996114 345186959 /nfs/dbraw/zinc/18/69/59/345186959.db2.gz ZORPTKVMOWTILO-NSHDSACASA-N 2 3 211.353 0.847 20 0 BCADHP [NH3+][C@H]1CCC[C@@H](NCC2=CC[NH2+]CC2)C1 ZINC000580212464 346685972 /nfs/dbraw/zinc/68/59/72/346685972.db2.gz MNWCSQGITQEYJX-NWDGAFQWSA-N 2 3 209.337 0.766 20 0 BCADHP [NH3+]C[C@H]1CN(CCC2CC[NH2+]CC2)CCCO1 ZINC000580328746 347166012 /nfs/dbraw/zinc/16/60/12/347166012.db2.gz CXHHIZMXWNIKEY-ZDUSSCGKSA-N 2 3 241.379 0.426 20 0 BCADHP N[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334588779 354216039 /nfs/dbraw/zinc/21/60/39/354216039.db2.gz XKCRJJJICXLCLX-RYUDHWBXSA-N 2 3 211.353 0.799 20 0 BCADHP N[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334588779 354216042 /nfs/dbraw/zinc/21/60/42/354216042.db2.gz XKCRJJJICXLCLX-RYUDHWBXSA-N 2 3 211.353 0.799 20 0 BCADHP CN(CC[C@H]1CC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000420291288 192204017 /nfs/dbraw/zinc/20/40/17/192204017.db2.gz NCNCBCKDGYTAEL-LLVKDONJSA-N 2 3 213.369 0.903 20 0 BCADHP C[NH2+]CCOCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000629528495 361137052 /nfs/dbraw/zinc/13/70/52/361137052.db2.gz AMYXYVDGDCGVHG-RYUDHWBXSA-N 2 3 229.368 0.295 20 0 BCADHP C[NH2+]CCOCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000629528495 361137060 /nfs/dbraw/zinc/13/70/60/361137060.db2.gz AMYXYVDGDCGVHG-RYUDHWBXSA-N 2 3 229.368 0.295 20 0 BCADHP C[NH2+]CCOCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000629531421 361148843 /nfs/dbraw/zinc/14/88/43/361148843.db2.gz KRUOTCANAVXHEP-NEPJUHHUSA-N 2 3 229.368 0.200 20 0 BCADHP [NH3+]CCCOCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000629539218 361403491 /nfs/dbraw/zinc/40/34/91/361403491.db2.gz OUIYWKGHCPGBOV-WDEREUQCSA-N 2 3 215.341 0.211 20 0 BCADHP CC[C@@H]1NCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000629563923 361458351 /nfs/dbraw/zinc/45/83/51/361458351.db2.gz IJRWJOBYLZDDGJ-NWDGAFQWSA-N 2 3 211.353 0.716 20 0 BCADHP C[C@H]1CC[C@@H](NCC2CC[NH2+]CC2)C[NH2+]1 ZINC000629660310 361565730 /nfs/dbraw/zinc/56/57/30/361565730.db2.gz RJRRLUUTVOSUDB-CMPLNLGQSA-N 2 3 211.353 0.716 20 0 BCADHP C[NH2+]C[C@@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000575312997 365285118 /nfs/dbraw/zinc/28/51/18/365285118.db2.gz RDIPTFSMVHCITG-ZDUSSCGKSA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000575312997 365285123 /nfs/dbraw/zinc/28/51/23/365285123.db2.gz RDIPTFSMVHCITG-ZDUSSCGKSA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000575312997 365285127 /nfs/dbraw/zinc/28/51/27/365285127.db2.gz RDIPTFSMVHCITG-ZDUSSCGKSA-N 2 3 225.380 0.917 20 0 BCADHP CNC[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000575989075 365437181 /nfs/dbraw/zinc/43/71/81/365437181.db2.gz NOONYBGDYKDEAC-NEPJUHHUSA-N 2 3 211.353 0.527 20 0 BCADHP CNC[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000575989075 365437184 /nfs/dbraw/zinc/43/71/84/365437184.db2.gz NOONYBGDYKDEAC-NEPJUHHUSA-N 2 3 211.353 0.527 20 0 BCADHP C[NH2+]C[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000575989075 365437189 /nfs/dbraw/zinc/43/71/89/365437189.db2.gz NOONYBGDYKDEAC-NEPJUHHUSA-N 2 3 211.353 0.527 20 0 BCADHP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1CN ZINC000631836948 372625891 /nfs/dbraw/zinc/62/58/91/372625891.db2.gz KCDNXTGIEVPUGD-GRYCIOLGSA-N 2 3 211.353 0.513 20 0 BCADHP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1CN ZINC000631836948 372625892 /nfs/dbraw/zinc/62/58/92/372625892.db2.gz KCDNXTGIEVPUGD-GRYCIOLGSA-N 2 3 211.353 0.513 20 0 BCADHP C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631836948 372625893 /nfs/dbraw/zinc/62/58/93/372625893.db2.gz KCDNXTGIEVPUGD-GRYCIOLGSA-N 2 3 211.353 0.513 20 0 BCADHP CCC[NH2+]CCN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546974 384733606 /nfs/dbraw/zinc/73/36/06/384733606.db2.gz IPRGBBRYBXFALX-YNEHKIRRSA-N 2 3 225.380 0.964 20 0 BCADHP C([NH2+][C@H]1CCCNCC1)C1CC[NH2+]CC1 ZINC000647547379 384735870 /nfs/dbraw/zinc/73/58/70/384735870.db2.gz UWBHDMSXELIRJT-LBPRGKRZSA-N 2 3 211.353 0.718 20 0 BCADHP C([NH2+][C@@H]1CCCNCC1)C1CC[NH2+]CC1 ZINC000647547378 384738089 /nfs/dbraw/zinc/73/80/89/384738089.db2.gz UWBHDMSXELIRJT-GFCCVEGCSA-N 2 3 211.353 0.718 20 0 BCADHP [NH3+]CC[C@H]1CCCN(CC2(C[NH3+])CC2)C1 ZINC000414732886 386292849 /nfs/dbraw/zinc/29/28/49/386292849.db2.gz IUVSVAWMPMDIDE-LLVKDONJSA-N 2 3 211.353 0.786 20 0 BCADHP C[C@@H]([NH3+])CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335275700 386335376 /nfs/dbraw/zinc/33/53/76/386335376.db2.gz CUHODPOUFLMUKJ-MNOVXSKESA-N 2 3 211.353 0.798 20 0 BCADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC2)CC1 ZINC000415025469 386514466 /nfs/dbraw/zinc/51/44/66/386514466.db2.gz QCKYTCHBAWKRBT-IJLUTSLNSA-N 2 3 211.353 0.703 20 0 BCADHP C[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CCN1 ZINC000335448768 386517641 /nfs/dbraw/zinc/51/76/41/386517641.db2.gz RZMPJRNAERBYRV-ZYHUDNBSSA-N 2 3 211.353 0.716 20 0 BCADHP C(N[C@H]1CCCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000335640825 386765337 /nfs/dbraw/zinc/76/53/37/386765337.db2.gz AKHZZDPXCZBEHQ-LBPRGKRZSA-N 2 3 211.353 0.718 20 0 BCADHP CC1(CN[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000334867067 386924305 /nfs/dbraw/zinc/92/43/05/386924305.db2.gz ZPLQNSZDLVCPIE-LLVKDONJSA-N 2 3 211.353 0.718 20 0 BCADHP CNC[C@@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423281591 388063158 /nfs/dbraw/zinc/06/31/58/388063158.db2.gz VUQBHAWDTGSWSD-GHMZBOCLSA-N 2 3 201.358 0.949 20 0 BCADHP C[NH2+]Cc1ccccc1CNCCC[NH3+] ZINC000650720326 410357367 /nfs/dbraw/zinc/35/73/67/410357367.db2.gz LNOKWEPTXJEAOM-UHFFFAOYSA-N 2 3 207.321 0.844 20 0 BCADHP [NH3+]CCCN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650724768 410360496 /nfs/dbraw/zinc/36/04/96/410360496.db2.gz LXBQOUJTADYHNN-YNEHKIRRSA-N 2 3 241.379 0.696 20 0 BCADHP C[NH2+]CC1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663494276 411673187 /nfs/dbraw/zinc/67/31/87/411673187.db2.gz HNTQEFLZMALKFI-OLZOCXBDSA-N 2 3 223.364 0.527 20 0 BCADHP C(N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493115 411673781 /nfs/dbraw/zinc/67/37/81/411673781.db2.gz FPHIGKSZWJENJS-RQJABVFESA-N 2 3 235.375 0.527 20 0 BCADHP C[NH2+]CCC1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663496835 411676857 /nfs/dbraw/zinc/67/68/57/411676857.db2.gz ZOMKPBCJZSQXJE-KGLIPLIRSA-N 2 3 237.391 0.917 20 0 BCADHP CC1(CNC[C@]23C[C@H]2C[NH2+]C3)CC[NH2+]CC1 ZINC000663495785 411677401 /nfs/dbraw/zinc/67/74/01/411677401.db2.gz BBNUXXUSNKJTER-WCQYABFASA-N 2 3 223.364 0.575 20 0 BCADHP C[C@@H]1C[C@H](C[NH2+]CC23CC(C2)CN3)CC[NH2+]1 ZINC000663501572 411685426 /nfs/dbraw/zinc/68/54/26/411685426.db2.gz XSAQCDDAFYGPDW-OKZRHMCRSA-N 2 3 223.364 0.716 20 0 BCADHP C[C@@H]1C[C@H](CNCC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663501572 411685429 /nfs/dbraw/zinc/68/54/29/411685429.db2.gz XSAQCDDAFYGPDW-OKZRHMCRSA-N 2 3 223.364 0.716 20 0 BCADHP C[NH2+]C[C@H](C)N[C@H](C)C1CC[NH+](C)CC1 ZINC000665295227 412242809 /nfs/dbraw/zinc/24/28/09/412242809.db2.gz ALBVPIUYSWQXBA-WDEREUQCSA-N 2 3 213.369 0.914 20 0 BCADHP C[NH2+]CCCN1CCC(CC[NH2+]C)CC1 ZINC000336657412 173347582 /nfs/dbraw/zinc/34/75/82/173347582.db2.gz AYMBTDOZWQZJTO-UHFFFAOYSA-N 2 3 213.369 0.917 20 0 BCADHP C[NH2+]CCOCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902397628 584585466 /nfs/dbraw/zinc/58/54/66/584585466.db2.gz NLSVZAAYGIXWSU-LBPRGKRZSA-N 2 3 243.395 0.590 20 0 BCADHP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCCN1 ZINC000902481605 584623712 /nfs/dbraw/zinc/62/37/12/584623712.db2.gz FNIAIDMPHYVKDF-STQMWFEESA-N 2 3 243.395 0.862 20 0 BCADHP [NH3+]C[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000902485997 584625176 /nfs/dbraw/zinc/62/51/76/584625176.db2.gz DSKWPCYBTJRRGC-ZDEQEGDKSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+]C[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000902485997 584625177 /nfs/dbraw/zinc/62/51/77/584625177.db2.gz DSKWPCYBTJRRGC-ZDEQEGDKSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000902485997 584625178 /nfs/dbraw/zinc/62/51/78/584625178.db2.gz DSKWPCYBTJRRGC-ZDEQEGDKSA-N 2 3 223.364 0.940 20 0 BCADHP NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487097 584625712 /nfs/dbraw/zinc/62/57/12/584625712.db2.gz IMIDJEYKZILYMQ-BJDJZHNGSA-N 2 3 211.353 0.831 20 0 BCADHP [NH3+]C[C@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000902487180 584625960 /nfs/dbraw/zinc/62/59/60/584625960.db2.gz JKOFUNPLSSFXBF-DBIOUOCHSA-N 2 3 209.337 0.583 20 0 BCADHP CNC[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425264 584761249 /nfs/dbraw/zinc/76/12/49/584761249.db2.gz YYMKAVZYSQNJKS-GRYCIOLGSA-N 2 3 211.353 0.798 20 0 BCADHP CNC[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425264 584761250 /nfs/dbraw/zinc/76/12/50/584761250.db2.gz YYMKAVZYSQNJKS-GRYCIOLGSA-N 2 3 211.353 0.798 20 0 BCADHP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CN ZINC000903476970 584777576 /nfs/dbraw/zinc/77/75/76/584777576.db2.gz PTQDECGIECSDID-KKOKHZNYSA-N 2 3 211.353 0.640 20 0 BCADHP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CN ZINC000903476970 584777578 /nfs/dbraw/zinc/77/75/78/584777578.db2.gz PTQDECGIECSDID-KKOKHZNYSA-N 2 3 211.353 0.640 20 0 BCADHP [NH3+]C[C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903716540 584791951 /nfs/dbraw/zinc/79/19/51/584791951.db2.gz OPTYMLYEQAUGHK-AVGNSLFASA-N 2 3 239.363 0.036 20 0 BCADHP [NH3+][C@@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872767 584815161 /nfs/dbraw/zinc/81/51/61/584815161.db2.gz BWUZUPCVMOPMOJ-RDFFEMEHSA-N 2 3 209.337 0.550 20 0 BCADHP C[C@H](CCN)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920973 584823101 /nfs/dbraw/zinc/82/31/01/584823101.db2.gz YYFRKAAHPQXPAO-WAAKLRNESA-N 2 3 211.353 0.844 20 0 BCADHP C([NH2+]CC12CC(C1)CN2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903933087 584824744 /nfs/dbraw/zinc/82/47/44/584824744.db2.gz KVFOZJVYCQMHGY-LJZITESISA-N 2 3 235.375 0.859 20 0 BCADHP C(NCC12CC(C1)C[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903933087 584824746 /nfs/dbraw/zinc/82/47/46/584824746.db2.gz KVFOZJVYCQMHGY-LJZITESISA-N 2 3 235.375 0.859 20 0 BCADHP C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000903979208 584833712 /nfs/dbraw/zinc/83/37/12/584833712.db2.gz YPWFMLHQAPUHDW-LOWDOPEQSA-N 2 3 225.380 0.820 20 0 BCADHP C[C@@H]1CNC[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000903963705 584833735 /nfs/dbraw/zinc/83/37/35/584833735.db2.gz GLFBJNFFACWDBB-WRWGMCAJSA-N 2 3 211.353 0.572 20 0 BCADHP C[C@@H]1CNC[C@H]1[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000903963704 584833767 /nfs/dbraw/zinc/83/37/67/584833767.db2.gz GLFBJNFFACWDBB-WISYIIOYSA-N 2 3 211.353 0.572 20 0 BCADHP CCN1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903967985 584835234 /nfs/dbraw/zinc/83/52/34/584835234.db2.gz ODTHHQHFLYUMJR-NEPJUHHUSA-N 2 3 225.380 0.916 20 0 BCADHP C[C@]1(C[NH2+]CC[C@@H]2CC[NH2+]C2)CCCNC1 ZINC000904353857 584870336 /nfs/dbraw/zinc/87/03/36/584870336.db2.gz SVNPWKRQDWNQJC-STQMWFEESA-N 2 3 225.380 0.965 20 0 BCADHP [NH3+]CCN1CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000904355195 584870974 /nfs/dbraw/zinc/87/09/74/584870974.db2.gz LLXURZYDFQYTMJ-GFCCVEGCSA-N 2 3 240.395 0.141 20 0 BCADHP N[C@H]1CCC[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)C1 ZINC000904356081 584871171 /nfs/dbraw/zinc/87/11/71/584871171.db2.gz SVGJLOOMPHHRKV-WCQYABFASA-N 2 3 240.395 0.269 20 0 BCADHP C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1CN ZINC000904371329 584873114 /nfs/dbraw/zinc/87/31/14/584873114.db2.gz MSEMUFGYVAHBCE-FIQHERPVSA-N 2 3 211.353 0.640 20 0 BCADHP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1CN ZINC000904371329 584873115 /nfs/dbraw/zinc/87/31/15/584873115.db2.gz MSEMUFGYVAHBCE-FIQHERPVSA-N 2 3 211.353 0.640 20 0 BCADHP C[C@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000904371329 584873116 /nfs/dbraw/zinc/87/31/16/584873116.db2.gz MSEMUFGYVAHBCE-FIQHERPVSA-N 2 3 211.353 0.640 20 0 BCADHP C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CN ZINC000904371330 584873154 /nfs/dbraw/zinc/87/31/54/584873154.db2.gz MSEMUFGYVAHBCE-KKOKHZNYSA-N 2 3 211.353 0.640 20 0 BCADHP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CN ZINC000904371330 584873156 /nfs/dbraw/zinc/87/31/56/584873156.db2.gz MSEMUFGYVAHBCE-KKOKHZNYSA-N 2 3 211.353 0.640 20 0 BCADHP C[C@@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000904371330 584873158 /nfs/dbraw/zinc/87/31/58/584873158.db2.gz MSEMUFGYVAHBCE-KKOKHZNYSA-N 2 3 211.353 0.640 20 0 BCADHP NC[C@]12CCC[C@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904374358 584873816 /nfs/dbraw/zinc/87/38/16/584873816.db2.gz QPWUGPNQVZBOIC-RVMXOQNASA-N 2 3 223.364 0.785 20 0 BCADHP NC[C@]12CCC[C@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904374358 584873818 /nfs/dbraw/zinc/87/38/18/584873818.db2.gz QPWUGPNQVZBOIC-RVMXOQNASA-N 2 3 223.364 0.785 20 0 BCADHP [NH3+]Cc1ccc(CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000904373288 584873959 /nfs/dbraw/zinc/87/39/59/584873959.db2.gz OBUXMAGCZKFLAD-UHFFFAOYSA-N 2 3 249.358 0.431 20 0 BCADHP C[C@H](C[C@H](C)N)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904374772 584874357 /nfs/dbraw/zinc/87/43/57/584874357.db2.gz WPZKZEXCGLVMJF-WDEREUQCSA-N 2 3 228.384 0.125 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[NH2+][C@@]23CCC[C@@H]2NCC3)C1 ZINC000904384695 584877528 /nfs/dbraw/zinc/87/75/28/584877528.db2.gz MEBUZRGPAKAOEN-WHOHXGKFSA-N 2 3 209.337 0.598 20 0 BCADHP CC(C)([NH3+])CCNC1CCN(CC[NH3+])CC1 ZINC000904385841 584877694 /nfs/dbraw/zinc/87/76/94/584877694.db2.gz HJNBJLCDGUKSKN-UHFFFAOYSA-N 2 3 228.384 0.127 20 0 BCADHP C[C@@H]1C[C@@H](CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]1 ZINC000873228998 590001235 /nfs/dbraw/zinc/00/12/35/590001235.db2.gz NAIURGVKBYRUCZ-ZOBORPQBSA-N 2 3 237.391 0.916 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000873251210 590008304 /nfs/dbraw/zinc/00/83/04/590008304.db2.gz KGLJNMWLYHXWJE-YVECIDJPSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000873251210 590008306 /nfs/dbraw/zinc/00/83/06/590008306.db2.gz KGLJNMWLYHXWJE-YVECIDJPSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000873251210 590008308 /nfs/dbraw/zinc/00/83/08/590008308.db2.gz KGLJNMWLYHXWJE-YVECIDJPSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000873251207 590008480 /nfs/dbraw/zinc/00/84/80/590008480.db2.gz KGLJNMWLYHXWJE-QNWHQSFQSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000873251207 590008483 /nfs/dbraw/zinc/00/84/83/590008483.db2.gz KGLJNMWLYHXWJE-QNWHQSFQSA-N 2 3 223.364 0.940 20 0 BCADHP [NH3+][C@H]1C[C@@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000873251207 590008486 /nfs/dbraw/zinc/00/84/86/590008486.db2.gz KGLJNMWLYHXWJE-QNWHQSFQSA-N 2 3 223.364 0.940 20 0 BCADHP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCNC1 ZINC000873251194 590008525 /nfs/dbraw/zinc/00/85/25/590008525.db2.gz VABSXFHYJJPABO-KKOKHZNYSA-N 2 3 211.353 0.701 20 0 BCADHP CC[C@H](NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000873251604 590009235 /nfs/dbraw/zinc/00/92/35/590009235.db2.gz XBTBGHSHSSDCID-USZNOCQGSA-N 2 3 211.353 0.844 20 0 BCADHP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCN1 ZINC000873251604 590009238 /nfs/dbraw/zinc/00/92/38/590009238.db2.gz XBTBGHSHSSDCID-USZNOCQGSA-N 2 3 211.353 0.844 20 0 BCADHP [NH3+]CC1(CC[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925703043 634379482 /nfs/dbraw/zinc/37/94/82/634379482.db2.gz SHMXBSAGPTXCHM-LLVKDONJSA-N 2 3 223.364 0.990 20 0 BCADHP C[NH2+]CCOCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925717652 634454879 /nfs/dbraw/zinc/45/48/79/634454879.db2.gz CNOWFQXCZOZOGU-QWRGUYRKSA-N 2 3 227.352 0.082 20 0 BCADHP [NH3+]CC[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310523117 632758024 /nfs/dbraw/zinc/75/80/24/632758024.db2.gz MKBMVUHXDGADAK-OLZOCXBDSA-N 2 3 241.379 0.114 20 0 BCADHP C[NH+]1CCC(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000328568833 633779267 /nfs/dbraw/zinc/77/92/67/633779267.db2.gz PUASLRMYKKLRDM-LXFSFDBISA-N 2 3 249.402 0.914 20 0 BCADHP [NH3+][C@@H]1C[C@H](NCC2=CC[NH2+]CC2)C12CCC2 ZINC000925696776 634356527 /nfs/dbraw/zinc/35/65/27/634356527.db2.gz AUOATNHNANCBQN-NEPJUHHUSA-N 2 3 221.348 0.766 20 0 BCADHP N[C@@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)C12CCC2 ZINC000925696776 634356534 /nfs/dbraw/zinc/35/65/34/634356534.db2.gz AUOATNHNANCBQN-NEPJUHHUSA-N 2 3 221.348 0.766 20 0 BCADHP NC1CC([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000906509910 638182528 /nfs/dbraw/zinc/18/25/28/638182528.db2.gz BNQCEZDKSIGFES-AWDSCPMSSA-N 2 3 209.337 0.596 20 0 BCADHP C[C@H]([NH3+])[C@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923330355 644350488 /nfs/dbraw/zinc/35/04/88/644350488.db2.gz CSKWZPSFUATFIK-SDDRHHMPSA-N 2 3 239.363 0.034 20 0 BCADHP CC(C)(C)[C@H](C[NH3+])NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923369107 644381914 /nfs/dbraw/zinc/38/19/14/644381914.db2.gz VXSNTQOERVERFT-MNOVXSKESA-N 2 3 241.379 0.328 20 0 BCADHP C[C@H](CCC[NH3+])N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925711848 646436841 /nfs/dbraw/zinc/43/68/41/646436841.db2.gz SRTSVHGUKZYKCI-HDLKOFKZSA-N 2 3 223.364 0.700 20 0 BCADHP [NH3+]CCCOCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925719731 646444338 /nfs/dbraw/zinc/44/43/38/646444338.db2.gz VIOFEKIWCJQQQH-GHMZBOCLSA-N 2 3 227.352 0.211 20 0 BCADHP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925726965 646451649 /nfs/dbraw/zinc/45/16/49/646451649.db2.gz MERRBGXJKKGQAB-DCAQKATOSA-N 2 3 209.337 0.598 20 0 BCADHP [NH3+]C1CC(C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925729806 646454248 /nfs/dbraw/zinc/45/42/48/646454248.db2.gz MERRBGXJKKGQAB-ILDUYXDCSA-N 2 3 209.337 0.598 20 0 BCADHP