smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2cccc(C[NH3+])c2)N1 ZINC000757210881 586438748 /nfs/dbraw/zinc/43/87/48/586438748.db2.gz HMRPGDSMKINLJG-JLUCKKNBSA-N 2 3 247.386 1.779 10 0 BDAEHP CCNCC[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063124134 170116725 /nfs/dbraw/zinc/11/67/25/170116725.db2.gz GBPHZGHZPCTZOS-CYBMUJFWSA-N 2 3 241.423 1.648 10 0 BDAEHP CCNCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063124134 170116726 /nfs/dbraw/zinc/11/67/26/170116726.db2.gz GBPHZGHZPCTZOS-CYBMUJFWSA-N 2 3 241.423 1.648 10 0 BDAEHP CCNCCC[NH2+][C@@H]1CCC[C@H]([NH3+])CC1 ZINC000026576652 170112280 /nfs/dbraw/zinc/11/22/80/170112280.db2.gz WOAWZQRVFAEPRV-NWDGAFQWSA-N 2 3 213.369 1.236 10 0 BDAEHP C[C@@H]1C[C@H]([C@@H]2[NH2+][C@H](C)C[C@@H](C)[C@@H]2CN)CC[NH2+]1 ZINC000757234065 586443004 /nfs/dbraw/zinc/44/30/04/586443004.db2.gz KHVCEHLRTIGJCQ-KJKVDNPUSA-N 2 3 239.407 1.336 10 0 BDAEHP CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335516253 355312152 /nfs/dbraw/zinc/31/21/52/355312152.db2.gz JOHSLXKOBZCJAC-CLRIEMFWSA-N 2 3 239.407 1.719 10 0 BDAEHP CC[C@H](C)[C@@H](N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042388634 171372991 /nfs/dbraw/zinc/37/29/91/171372991.db2.gz VRIIZXJZWXAYHU-JSGCOSHPSA-N 2 3 241.423 1.633 10 0 BDAEHP [NH3+]Cc1cccc([C@H]2CC[C@H](C[NH3+])CN2)c1 ZINC000757206503 586437412 /nfs/dbraw/zinc/43/74/12/586437412.db2.gz AFJZCGZKMUKAKQ-DGCLKSJQSA-N 2 3 219.332 1.145 10 0 BDAEHP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2ccc(C[NH3+])cc2)N1 ZINC000757207059 586437566 /nfs/dbraw/zinc/43/75/66/586437566.db2.gz AWENXXRQDMHJNW-JLUCKKNBSA-N 2 3 247.386 1.779 10 0 BDAEHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCNC1 ZINC000086724716 388107874 /nfs/dbraw/zinc/10/78/74/388107874.db2.gz SLKNLMABKPWFTA-STQMWFEESA-N 2 3 227.396 1.448 10 0 BDAEHP CC1(C)C[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1N ZINC000261690487 135245953 /nfs/dbraw/zinc/24/59/53/135245953.db2.gz KSHBJUVYLVGDEF-ZDUSSCGKSA-N 2 3 239.407 1.435 10 0 BDAEHP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1N ZINC000261690487 135245954 /nfs/dbraw/zinc/24/59/54/135245954.db2.gz KSHBJUVYLVGDEF-ZDUSSCGKSA-N 2 3 239.407 1.435 10 0 BDAEHP C[C@H]([NH2+][C@H]1CCC[C@H]1CN)C1CC[NH+](C)CC1 ZINC000396424345 410882877 /nfs/dbraw/zinc/88/28/77/410882877.db2.gz CAAOZUIBEUOVDB-UBHSHLNASA-N 2 3 239.407 1.434 10 0 BDAEHP CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335517331 398290332 /nfs/dbraw/zinc/29/03/32/398290332.db2.gz JOHSLXKOBZCJAC-NWINJMCUSA-N 2 3 239.407 1.719 10 0 BDAEHP CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335516255 136741684 /nfs/dbraw/zinc/74/16/84/136741684.db2.gz JOHSLXKOBZCJAC-HOAMVYINSA-N 2 3 239.407 1.719 10 0 BDAEHP CC[NH2+]CCCN[C@H]1C=C[C@H]([NH3+])CCC1 ZINC000029388515 170112790 /nfs/dbraw/zinc/11/27/90/170112790.db2.gz INPYDNOQRCNLPS-VXGBXAGGSA-N 2 3 211.353 1.012 10 0 BDAEHP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@@H](c2cccc(C[NH3+])c2)N1 ZINC000757210882 586438779 /nfs/dbraw/zinc/43/87/79/586438779.db2.gz HMRPGDSMKINLJG-RBDSIQFVSA-N 2 3 247.386 1.779 10 0 BDAEHP CC[NH2+]CCCN[C@@H]1C=C[C@@H]([NH3+])CCC1 ZINC000029388521 170112404 /nfs/dbraw/zinc/11/24/04/170112404.db2.gz INPYDNOQRCNLPS-RYUDHWBXSA-N 2 3 211.353 1.012 10 0 BDAEHP CC[NH2+]CCCN[C@@H]1C=C[C@H]([NH3+])CCC1 ZINC000029388518 170113076 /nfs/dbraw/zinc/11/30/76/170113076.db2.gz INPYDNOQRCNLPS-NEPJUHHUSA-N 2 3 211.353 1.012 10 0 BDAEHP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](C[C@@H]2CCN(C)C2)C1 ZINC000049666499 176329309 /nfs/dbraw/zinc/32/93/09/176329309.db2.gz PLRWBAXDEAATJT-MGPQQGTHSA-N 2 3 239.407 1.116 10 0 BDAEHP [NH3+]Cc1ccc([C@H]2NCCC[C@@H]2C[NH3+])cc1 ZINC000757217830 582561859 /nfs/dbraw/zinc/56/18/59/582561859.db2.gz SUYSEIQXWSAUBV-CHWSQXEVSA-N 2 3 219.332 1.145 10 0 BDAEHP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2ccc(C[NH3+])cc2)N1 ZINC000757207054 586437414 /nfs/dbraw/zinc/43/74/14/586437414.db2.gz AWENXXRQDMHJNW-IDTSFGKNSA-N 2 3 247.386 1.779 10 0 BDAEHP C[C@@H]1CC[C@H](C[NH3+])[C@H](c2cccc(C[NH3+])c2)N1 ZINC000757209283 586438538 /nfs/dbraw/zinc/43/85/38/586438538.db2.gz DOEFWJXAFDYFRO-HONMWMINSA-N 2 3 233.359 1.533 10 0 BDAEHP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2cccc(C[NH3+])c2)N1 ZINC000757210878 586438897 /nfs/dbraw/zinc/43/88/97/586438897.db2.gz HMRPGDSMKINLJG-DRABBMOASA-N 2 3 247.386 1.779 10 0 BDAEHP C[C@@H]1CC[C@H](CN)[C@H]([C@@H]2CC[NH2+][C@H](C)C2)[NH2+]1 ZINC000757228616 586442563 /nfs/dbraw/zinc/44/25/63/586442563.db2.gz DEZRIOFLGQIZCS-VEGXAWMVSA-N 2 3 225.380 1.090 10 0 BDAEHP [NH3+]Cc1cc([C@H]2CNCC[C@@H]2[NH3+])ccc1C1CC1 ZINC000757232594 586443230 /nfs/dbraw/zinc/44/32/30/586443230.db2.gz JBARQMYVQWGTBI-CABCVRRESA-N 2 3 245.370 1.427 10 0 BDAEHP CC[NH2+]CCCN[C@H]1C=C[C@@H]([NH3+])CCC1 ZINC000053150873 170113046 /nfs/dbraw/zinc/11/30/46/170113046.db2.gz INPYDNOQRCNLPS-NWDGAFQWSA-N 2 3 211.353 1.012 10 0 BDAEHP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCNC1 ZINC000566672534 326072354 /nfs/dbraw/zinc/07/23/54/326072354.db2.gz CFLVHZLTJIRMRI-OCCSQVGLSA-N 2 3 239.407 1.306 10 0 BDAEHP [NH3+]Cc1ccc([C@@H]2CC[C@@H](C[NH3+])CN2)cc1 ZINC000757217764 582561646 /nfs/dbraw/zinc/56/16/46/582561646.db2.gz SGZORAKFPPYCQD-AAEUAGOBSA-N 2 3 219.332 1.145 10 0 BDAEHP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCNC1 ZINC000566672532 326072451 /nfs/dbraw/zinc/07/24/51/326072451.db2.gz CFLVHZLTJIRMRI-GXTWGEPZSA-N 2 3 239.407 1.306 10 0 BDAEHP CCCN1CC[C@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000422966979 387815715 /nfs/dbraw/zinc/81/57/15/387815715.db2.gz AZNCUKGAOTWENV-IYXRBSQSSA-N 2 3 239.407 1.578 10 0 BDAEHP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@@H](c2ccc(C[NH3+])cc2)N1 ZINC000757207067 586437221 /nfs/dbraw/zinc/43/72/21/586437221.db2.gz AWENXXRQDMHJNW-RBDSIQFVSA-N 2 3 247.386 1.779 10 0 BDAEHP [NH3+]Cc1cccc([C@@H]2NCCC[C@H]2C[NH3+])c1 ZINC000757219337 586442370 /nfs/dbraw/zinc/44/23/70/586442370.db2.gz WWQPLEQMRRFRKS-STQMWFEESA-N 2 3 219.332 1.145 10 0 BDAEHP C[C@@H]1C[C@H]([C@@H]2[NH2+][C@@H](C)CC[C@H]2CN)CC[NH2+]1 ZINC000757228613 586442751 /nfs/dbraw/zinc/44/27/51/586442751.db2.gz DEZRIOFLGQIZCS-QWQWKMKNSA-N 2 3 225.380 1.090 10 0 BDAEHP CC(C)[N@H+](C)CCCC[NH+]1CCCNCC1 ZINC000041680492 188119424 /nfs/dbraw/zinc/11/94/24/188119424.db2.gz GPRMFNNRLJUWBL-UHFFFAOYSA-N 2 3 227.396 1.402 10 0 BDAEHP CC(C)[N@@H+](C)CCCC[NH+]1CCCNCC1 ZINC000041680492 188119425 /nfs/dbraw/zinc/11/94/25/188119425.db2.gz GPRMFNNRLJUWBL-UHFFFAOYSA-N 2 3 227.396 1.402 10 0 BDAEHP CC(C)[NH+](C)CCCC[N@@H+]1CCCNCC1 ZINC000041680492 188119426 /nfs/dbraw/zinc/11/94/26/188119426.db2.gz GPRMFNNRLJUWBL-UHFFFAOYSA-N 2 3 227.396 1.402 10 0 BDAEHP CC(C)[NH+](C)CCCC[N@H+]1CCCNCC1 ZINC000041680492 188119427 /nfs/dbraw/zinc/11/94/27/188119427.db2.gz GPRMFNNRLJUWBL-UHFFFAOYSA-N 2 3 227.396 1.402 10 0 BDAEHP CC1(C)C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1N ZINC000261690482 135246019 /nfs/dbraw/zinc/24/60/19/135246019.db2.gz KSHBJUVYLVGDEF-CYBMUJFWSA-N 2 3 239.407 1.435 10 0 BDAEHP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1N ZINC000261690482 135246020 /nfs/dbraw/zinc/24/60/20/135246020.db2.gz KSHBJUVYLVGDEF-CYBMUJFWSA-N 2 3 239.407 1.435 10 0 BDAEHP C[C@H]([NH2+]C[C@H]1CCCN(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000571669537 323177258 /nfs/dbraw/zinc/17/72/58/323177258.db2.gz VUZYGIJQSVIYCB-BFHYXJOUSA-N 2 3 239.407 1.306 10 0 BDAEHP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCNC1 ZINC000566672535 326072399 /nfs/dbraw/zinc/07/23/99/326072399.db2.gz CFLVHZLTJIRMRI-TZMCWYRMSA-N 2 3 239.407 1.306 10 0 BDAEHP [NH3+]Cc1cccc([C@H]2CC[C@@H](C[NH3+])CN2)c1 ZINC000757206515 586437377 /nfs/dbraw/zinc/43/73/77/586437377.db2.gz AFJZCGZKMUKAKQ-WCQYABFASA-N 2 3 219.332 1.145 10 0 BDAEHP C[C@@H]1C[C@H]([C@@H]2[NH2+][C@H](C)C[C@H](C)[C@@H]2CN)CC[NH2+]1 ZINC000757234071 586443290 /nfs/dbraw/zinc/44/32/90/586443290.db2.gz KHVCEHLRTIGJCQ-XOKHJRTDSA-N 2 3 239.407 1.336 10 0 BDAEHP C1CC[NH2+]CCCCNCCC[NH2+]CC1 ZINC000090755249 188130460 /nfs/dbraw/zinc/13/04/60/188130460.db2.gz CGQAORJOAXIFCI-UHFFFAOYSA-N 2 3 213.369 1.109 10 0 BDAEHP C1CCNCCC[NH2+]CCCC[NH2+]CC1 ZINC000090755249 188130462 /nfs/dbraw/zinc/13/04/62/188130462.db2.gz CGQAORJOAXIFCI-UHFFFAOYSA-N 2 3 213.369 1.109 10 0 BDAEHP C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000571669539 323177253 /nfs/dbraw/zinc/17/72/53/323177253.db2.gz VUZYGIJQSVIYCB-MELADBBJSA-N 2 3 239.407 1.306 10 0 BDAEHP C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2ccc(C[NH3+])cc2)N1 ZINC000757218716 582563903 /nfs/dbraw/zinc/56/39/03/582563903.db2.gz VXSBSPVGRFNKQJ-SWHYSGLUSA-N 2 3 233.359 1.533 10 0 BDAEHP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2cccc(C[NH3+])c2)N1 ZINC000757209275 586438355 /nfs/dbraw/zinc/43/83/55/586438355.db2.gz DOEFWJXAFDYFRO-DDTOSNHZSA-N 2 3 233.359 1.533 10 0 BDAEHP [NH3+]Cc1ccc([C@H]2CC[C@H](C[NH3+])CN2)cc1 ZINC000757217769 586441768 /nfs/dbraw/zinc/44/17/68/586441768.db2.gz SGZORAKFPPYCQD-DGCLKSJQSA-N 2 3 219.332 1.145 10 0 BDAEHP CCCC[C@H](N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042388777 169009137 /nfs/dbraw/zinc/00/91/37/169009137.db2.gz SCJXYVMHNJKDKN-AWEZNQCLSA-N 2 3 241.423 1.778 10 0 BDAEHP C[C@H]([NH2+][C@@H]1CCC[C@H]1CN)C1CC[NH+](C)CC1 ZINC000396424341 410881990 /nfs/dbraw/zinc/88/19/90/410881990.db2.gz CAAOZUIBEUOVDB-FPMFFAJLSA-N 2 3 239.407 1.434 10 0 BDAEHP [NH3+]Cc1cc([C@@H]2CNCC[C@H]2[NH3+])ccc1C1CC1 ZINC000757232633 586443010 /nfs/dbraw/zinc/44/30/10/586443010.db2.gz JBARQMYVQWGTBI-LSDHHAIUSA-N 2 3 245.370 1.427 10 0 BDAEHP CCC[NH2+]C[C@H]1CCN(CCCC[NH+](C)C)C1 ZINC000053034561 169264864 /nfs/dbraw/zinc/26/48/64/169264864.db2.gz JKPMTPRFDZPJKH-CQSZACIVSA-N 2 3 241.423 1.650 10 0 BDAEHP C[C@H]1C[NH2+]C[C@H](C)C[NH+](C[C@@H]2CCN(C)C2)C1 ZINC000049666498 177285857 /nfs/dbraw/zinc/28/58/57/177285857.db2.gz PLRWBAXDEAATJT-MELADBBJSA-N 2 3 239.407 1.116 10 0 BDAEHP [NH3+]Cc1cccc([C@H]2NCCC[C@@H]2C[NH3+])c1 ZINC000757219332 586442294 /nfs/dbraw/zinc/44/22/94/586442294.db2.gz WWQPLEQMRRFRKS-CHWSQXEVSA-N 2 3 219.332 1.145 10 0 BDAEHP C[C@H]([NH2+][C@H]1CCC[C@@H]1CN)C1CC[NH+](C)CC1 ZINC000396424346 410882370 /nfs/dbraw/zinc/88/23/70/410882370.db2.gz CAAOZUIBEUOVDB-YUTCNCBUSA-N 2 3 239.407 1.434 10 0 BDAEHP C[C@@H]1C[NH2+][C@@H](C)CCN(CCCC[NH+](C)C)C1 ZINC000041680485 177160728 /nfs/dbraw/zinc/16/07/28/177160728.db2.gz QGIIKYFNOUJIKJ-KGLIPLIRSA-N 2 3 241.423 1.648 10 0 BDAEHP [NH3+]Cc1cccc([C@@H]2NCCC[C@@H]2C[NH3+])c1 ZINC000757219333 586442029 /nfs/dbraw/zinc/44/20/29/586442029.db2.gz WWQPLEQMRRFRKS-OLZOCXBDSA-N 2 3 219.332 1.145 10 0 BDAEHP C[C@@H]1CC[C@@H](CN)[C@H]([C@@H]2CC[NH2+][C@H](C)C2)[NH2+]1 ZINC000757228609 586442805 /nfs/dbraw/zinc/44/28/05/586442805.db2.gz DEZRIOFLGQIZCS-KVSVUVNWSA-N 2 3 225.380 1.090 10 0 BDAEHP CC[C@H](C)[C@H](N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042388626 171396846 /nfs/dbraw/zinc/39/68/46/171396846.db2.gz VRIIZXJZWXAYHU-GXTWGEPZSA-N 2 3 241.423 1.633 10 0 BDAEHP [NH3+]Cc1cccc([C@@H]2CC[C@H](C[NH3+])CN2)c1 ZINC000757206530 586437217 /nfs/dbraw/zinc/43/72/17/586437217.db2.gz AFJZCGZKMUKAKQ-YPMHNXCESA-N 2 3 219.332 1.145 10 0 BDAEHP CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335517332 398290390 /nfs/dbraw/zinc/29/03/90/398290390.db2.gz JOHSLXKOBZCJAC-PQAZSJQKSA-N 2 3 239.407 1.719 10 0 BDAEHP C[C@H]1C[C@H]([NH3+])CCN1CC1CC[NH+](C)CC1 ZINC000044518810 177364428 /nfs/dbraw/zinc/36/44/28/177364428.db2.gz CQDAQLZPHNAMQF-WCQYABFASA-N 2 3 225.380 1.140 10 0 BDAEHP C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2cccc(C[NH3+])c2)N1 ZINC000757209293 582560294 /nfs/dbraw/zinc/56/02/94/582560294.db2.gz DOEFWJXAFDYFRO-LERXQTSPSA-N 2 3 233.359 1.533 10 0 BDAEHP CC[NH2+]C[C@@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC000053033596 170119761 /nfs/dbraw/zinc/11/97/61/170119761.db2.gz QMQGBVIYIFIABQ-AWEZNQCLSA-N 2 3 239.407 1.260 10 0 BDAEHP C[NH+]1CCC(CN2CCC[NH2+]CCC2)CC1 ZINC000044526829 172985473 /nfs/dbraw/zinc/98/54/73/172985473.db2.gz ZGOGRGOKHLYYDB-UHFFFAOYSA-N 2 3 225.380 1.014 10 0 BDAEHP C[C@H]1C[NH2+]C[C@@H]1CN1CCC(C[NH+](C)C)CC1 ZINC000104214955 177285929 /nfs/dbraw/zinc/28/59/29/177285929.db2.gz SYNADQUOVXWYMA-GXTWGEPZSA-N 2 3 239.407 1.116 10 0 BDAEHP [NH3+]Cc1ccc([C@@H]2CC[C@H](C[NH3+])CN2)cc1 ZINC000757217774 586441498 /nfs/dbraw/zinc/44/14/98/586441498.db2.gz SGZORAKFPPYCQD-YPMHNXCESA-N 2 3 219.332 1.145 10 0 BDAEHP [NH3+]Cc1ccc([C@H]2NCCC[C@H]2C[NH3+])cc1 ZINC000757217832 582561455 /nfs/dbraw/zinc/56/14/55/582561455.db2.gz SUYSEIQXWSAUBV-QWHCGFSZSA-N 2 3 219.332 1.145 10 0 BDAEHP CC[NH+]1CCC(C[NH2+][C@H]2CCCNCC2)CC1 ZINC000129199265 343176555 /nfs/dbraw/zinc/17/65/55/343176555.db2.gz CVPRPZQMIDLJBM-AWEZNQCLSA-N 2 3 239.407 1.450 10 0 BDAEHP CC(C)(CN)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000028521372 188283711 /nfs/dbraw/zinc/28/37/11/188283711.db2.gz ZFNKZZOTVBTFAO-UHFFFAOYSA-N 2 3 239.407 1.532 10 0 BDAEHP C[C@@H]1C[C@H]([C@@H]2[NH2+][C@@H](C)CC[C@@H]2CN)CC[NH2+]1 ZINC000757228603 586442774 /nfs/dbraw/zinc/44/27/74/586442774.db2.gz DEZRIOFLGQIZCS-CLPYTZEMSA-N 2 3 225.380 1.090 10 0 BDAEHP C[C@@H]1C[C@H]([C@@H]2[NH2+][C@H](C)C[C@H](C)[C@H]2CN)CC[NH2+]1 ZINC000757234067 586443417 /nfs/dbraw/zinc/44/34/17/586443417.db2.gz KHVCEHLRTIGJCQ-NFTYFPCCSA-N 2 3 239.407 1.336 10 0 BDAEHP C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)[C@H]1CCC[NH2+]C1 ZINC000571669538 323177234 /nfs/dbraw/zinc/17/72/34/323177234.db2.gz VUZYGIJQSVIYCB-IHRRRGAJSA-N 2 3 239.407 1.306 10 0 BDAEHP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)CN1CCCC1 ZINC000094088939 360296276 /nfs/dbraw/zinc/29/62/76/360296276.db2.gz NHHIXTWDHKNWHQ-HSBZDZAISA-N 2 3 239.407 1.578 10 0 BDAEHP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2cccc(C[NH3+])c2)N1 ZINC000757210880 586438804 /nfs/dbraw/zinc/43/88/04/586438804.db2.gz HMRPGDSMKINLJG-IDTSFGKNSA-N 2 3 247.386 1.779 10 0 BDAEHP CCC[NH2+]C[C@@H]1CCN(CCCC[NH+](C)C)C1 ZINC000053034558 169262342 /nfs/dbraw/zinc/26/23/42/169262342.db2.gz JKPMTPRFDZPJKH-AWEZNQCLSA-N 2 3 241.423 1.650 10 0 BDAEHP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)C1CC[NH+](C)CC1 ZINC000396424343 410883221 /nfs/dbraw/zinc/88/32/21/410883221.db2.gz CAAOZUIBEUOVDB-IACUBPJLSA-N 2 3 239.407 1.434 10 0 BDAEHP CCNCC[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063124136 170117410 /nfs/dbraw/zinc/11/74/10/170117410.db2.gz GBPHZGHZPCTZOS-ZDUSSCGKSA-N 2 3 241.423 1.648 10 0 BDAEHP CCNCC[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063124136 170117413 /nfs/dbraw/zinc/11/74/13/170117413.db2.gz GBPHZGHZPCTZOS-ZDUSSCGKSA-N 2 3 241.423 1.648 10 0 BDAEHP C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2ccc(C[NH3+])cc2)N1 ZINC000757218710 582563132 /nfs/dbraw/zinc/56/31/32/582563132.db2.gz VXSBSPVGRFNKQJ-LERXQTSPSA-N 2 3 233.359 1.533 10 0 BDAEHP NCCC[NH2+]CCCCCCCCC[NH3+] ZINC000116233240 342922577 /nfs/dbraw/zinc/92/25/77/342922577.db2.gz ZDVFQRGCMWBNDL-UHFFFAOYSA-N 2 3 215.385 1.614 10 0 BDAEHP CC[NH+]1CCC(C[NH2+][C@@H]2CCCNCC2)CC1 ZINC000129199031 343176686 /nfs/dbraw/zinc/17/66/86/343176686.db2.gz CVPRPZQMIDLJBM-CQSZACIVSA-N 2 3 239.407 1.450 10 0 BDAEHP C[C@@H]1C[C@@H]([NH3+])CCN1CC1CC[NH+](C)CC1 ZINC000044518811 176371733 /nfs/dbraw/zinc/37/17/33/176371733.db2.gz CQDAQLZPHNAMQF-YPMHNXCESA-N 2 3 225.380 1.140 10 0 BDAEHP [NH3+]Cc1cccc([C@H]2NCCC[C@H]2C[NH3+])c1 ZINC000757219335 586442108 /nfs/dbraw/zinc/44/21/08/586442108.db2.gz WWQPLEQMRRFRKS-QWHCGFSZSA-N 2 3 219.332 1.145 10 0 BDAEHP NCC1(C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000141480755 356464428 /nfs/dbraw/zinc/46/44/28/356464428.db2.gz ANBVVWACKQVQBD-UHFFFAOYSA-N 2 3 233.359 1.186 10 0 BDAEHP C[C@H](C[NH2+]C1CCC([NH3+])CC1)CN1CCCC1 ZINC000094088940 360296777 /nfs/dbraw/zinc/29/67/77/360296777.db2.gz NHHIXTWDHKNWHQ-IYXRBSQSSA-N 2 3 239.407 1.578 10 0 BDAEHP C[C@@H]1C[NH2+]C[C@@H]1CN1CCC(C[NH+](C)C)CC1 ZINC000104214951 176329061 /nfs/dbraw/zinc/32/90/61/176329061.db2.gz SYNADQUOVXWYMA-TZMCWYRMSA-N 2 3 239.407 1.116 10 0 BDAEHP C[C@@H]1C[C@H]([C@@H]2[NH2+][C@H](C)C[C@@H](C)[C@H]2CN)CC[NH2+]1 ZINC000757234069 586443293 /nfs/dbraw/zinc/44/32/93/586443293.db2.gz KHVCEHLRTIGJCQ-UQPQVDFHSA-N 2 3 239.407 1.336 10 0 BDAEHP NCCC[NH2+]CCCCCCCC[NH3+] ZINC000028770166 181374990 /nfs/dbraw/zinc/37/49/90/181374990.db2.gz USFCFZJCWYDXBQ-UHFFFAOYSA-N 2 3 201.358 1.224 10 0 BDAEHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCNC1 ZINC000086724706 388107473 /nfs/dbraw/zinc/10/74/73/388107473.db2.gz SLKNLMABKPWFTA-CHWSQXEVSA-N 2 3 227.396 1.448 10 0 BDAEHP CC(C)N(C)CCC[NH2+]C1CCC([NH3+])CC1 ZINC000226340577 134360790 /nfs/dbraw/zinc/36/07/90/134360790.db2.gz VLHGMRXHXFBCEJ-UHFFFAOYSA-N 2 3 227.396 1.576 10 0 BDAEHP C[C@H]1C[C@@H]([NH3+])CCN1CC1CC[NH+](C)CC1 ZINC000044518812 177326513 /nfs/dbraw/zinc/32/65/13/177326513.db2.gz CQDAQLZPHNAMQF-AAEUAGOBSA-N 2 3 225.380 1.140 10 0 BDAEHP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2ccc(C[NH3+])cc2)N1 ZINC000757207051 586437623 /nfs/dbraw/zinc/43/76/23/586437623.db2.gz AWENXXRQDMHJNW-DRABBMOASA-N 2 3 247.386 1.779 10 0 BDAEHP [NH3+]Cc1ccc([C@H]2CC[C@@H](C[NH3+])CN2)cc1 ZINC000757217771 586441911 /nfs/dbraw/zinc/44/19/11/586441911.db2.gz SGZORAKFPPYCQD-WCQYABFASA-N 2 3 219.332 1.145 10 0 BDAEHP [NH3+]CCC1CC[NH+](CCCN2CCCC2)CC1 ZINC000042427840 181371734 /nfs/dbraw/zinc/37/17/34/181371734.db2.gz HESPIIDMCZTTFZ-UHFFFAOYSA-N 2 3 239.407 1.533 10 0 BDAEHP CCCN1CC[C@@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000422966977 387816278 /nfs/dbraw/zinc/81/62/78/387816278.db2.gz AZNCUKGAOTWENV-HSBZDZAISA-N 2 3 239.407 1.578 10 0 BDAEHP CC[NH2+]C[C@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC000053033598 170122423 /nfs/dbraw/zinc/12/24/23/170122423.db2.gz QMQGBVIYIFIABQ-CQSZACIVSA-N 2 3 239.407 1.260 10 0 BDAEHP [NH3+]Cc1ccc([C@@H]2NCCC[C@H]2C[NH3+])cc1 ZINC000757217833 582561942 /nfs/dbraw/zinc/56/19/42/582561942.db2.gz SUYSEIQXWSAUBV-STQMWFEESA-N 2 3 219.332 1.145 10 0 BDAEHP [NH3+]Cc1ccc([C@@H]2NCCC[C@@H]2C[NH3+])cc1 ZINC000757217831 582562144 /nfs/dbraw/zinc/56/21/44/582562144.db2.gz SUYSEIQXWSAUBV-OLZOCXBDSA-N 2 3 219.332 1.145 10 0 BDAEHP [NH3+]Cc1cccc([C@@H]2CC[C@@H](C[NH3+])CN2)c1 ZINC000757206471 586437253 /nfs/dbraw/zinc/43/72/53/586437253.db2.gz AFJZCGZKMUKAKQ-AAEUAGOBSA-N 2 3 219.332 1.145 10 0 BDAEHP C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2cccc(C[NH3+])c2)N1 ZINC000757209300 586438602 /nfs/dbraw/zinc/43/86/02/586438602.db2.gz DOEFWJXAFDYFRO-SWHYSGLUSA-N 2 3 233.359 1.533 10 0 BDAEHP [NH3+]Cc1cc([C@@H]2CNCC[C@@H]2[NH3+])ccc1C1CC1 ZINC000757232606 586443143 /nfs/dbraw/zinc/44/31/43/586443143.db2.gz JBARQMYVQWGTBI-GJZGRUSLSA-N 2 3 245.370 1.427 10 0 BDAEHP [NH3+]Cc1cc([C@H]2CNCC[C@H]2[NH3+])ccc1C1CC1 ZINC000757232609 586443168 /nfs/dbraw/zinc/44/31/68/586443168.db2.gz JBARQMYVQWGTBI-HUUCEWRRSA-N 2 3 245.370 1.427 10 0 BDAEHP C[C@H]([NH2+]C[C@H]1CCCN(C)C1)[C@H]1CCC[NH2+]C1 ZINC000571669540 323177228 /nfs/dbraw/zinc/17/72/28/323177228.db2.gz VUZYGIJQSVIYCB-MJBXVCDLSA-N 2 3 239.407 1.306 10 0 BDAEHP C[C@H]1C[NH2+]C[C@H]1CN1CCC(C[NH+](C)C)CC1 ZINC000104214961 187804828 /nfs/dbraw/zinc/80/48/28/187804828.db2.gz SYNADQUOVXWYMA-JSGCOSHPSA-N 2 3 239.407 1.116 10 0 BDAEHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCNC1 ZINC000086724709 388107981 /nfs/dbraw/zinc/10/79/81/388107981.db2.gz SLKNLMABKPWFTA-QWHCGFSZSA-N 2 3 227.396 1.448 10 0 BDAEHP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](C[C@@H]2CCN(C)C2)C1 ZINC000049666496 177285919 /nfs/dbraw/zinc/28/59/19/177285919.db2.gz PLRWBAXDEAATJT-HZSPNIEDSA-N 2 3 239.407 1.116 10 0 BDAEHP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](C[C@@H]2CCN(C)C2)C1 ZINC000049666496 177285920 /nfs/dbraw/zinc/28/59/20/177285920.db2.gz PLRWBAXDEAATJT-HZSPNIEDSA-N 2 3 239.407 1.116 10 0 BDAEHP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2ccc(C[NH3+])cc2)N1 ZINC000757218704 582563743 /nfs/dbraw/zinc/56/37/43/582563743.db2.gz VXSBSPVGRFNKQJ-DDTOSNHZSA-N 2 3 233.359 1.533 10 0 BDAEHP CCN1CCC([NH+]2CCC([NH3+])(CC)CC2)CC1 ZINC000714754831 712497930 /nfs/dbraw/zinc/49/79/30/712497930.db2.gz YBUVJYHZYYGPHB-UHFFFAOYSA-N 2 3 239.407 1.674 10 0 BDAEHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCNC1 ZINC000086724712 388108372 /nfs/dbraw/zinc/10/83/72/388108372.db2.gz SLKNLMABKPWFTA-OLZOCXBDSA-N 2 3 227.396 1.448 10 0 BDAEHP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCNC1 ZINC000566672533 326072394 /nfs/dbraw/zinc/07/23/94/326072394.db2.gz CFLVHZLTJIRMRI-JSGCOSHPSA-N 2 3 239.407 1.306 10 0 BDAEHP C[C@@H]1CC[C@H](C[NH3+])[C@H](c2ccc(C[NH3+])cc2)N1 ZINC000757218706 582563573 /nfs/dbraw/zinc/56/35/73/582563573.db2.gz VXSBSPVGRFNKQJ-HONMWMINSA-N 2 3 233.359 1.533 10 0 BDAEHP