smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)C[C@@](CC)(CN)[N@@H+]1CCCC[C@@H]1C ZINC000019232966 171296940 /nfs/dbraw/zinc/29/69/40/171296940.db2.gz UQRQHADLTNLWHF-KKUMJFAQSA-N 2 0 240.435 3.405 10 0 BGAERP CC(C)C[C@@H](C)[NH2+]CC[NH2+][C@@H](C)CC(C)C ZINC000019359336 343561961 /nfs/dbraw/zinc/56/19/61/343561961.db2.gz LCKHBYOSKOUPOT-OKILXGFUSA-N 2 0 228.424 3.035 10 0 BGAERP CC(C)C[C@@H](C)[NH2+]CC[NH2+][C@H](C)CC(C)C ZINC000019359338 343561663 /nfs/dbraw/zinc/56/16/63/343561663.db2.gz LCKHBYOSKOUPOT-ZIAGYGMSSA-N 2 0 228.424 3.035 10 0 BGAERP CC(C)C[C@H](C)[NH2+]CC[NH2+][C@@H](C)CC(C)C ZINC000019363898 343561727 /nfs/dbraw/zinc/56/17/27/343561727.db2.gz LCKHBYOSKOUPOT-KBPBESRZSA-N 2 0 228.424 3.035 10 0 BGAERP C[NH+](C)[C@@H](CCC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000019673841 172519266 /nfs/dbraw/zinc/51/92/66/172519266.db2.gz HAGBWFQGIONEIM-HNNXBMFYSA-N 2 0 248.414 3.326 10 0 BGAERP C[NH+](C)[C@H](CCC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000019673843 172533725 /nfs/dbraw/zinc/53/37/25/172533725.db2.gz HAGBWFQGIONEIM-OAHLLOKOSA-N 2 0 248.414 3.326 10 0 BGAERP C[C@@H]1CCC[C@H](C)[N@H+]1[C@H](CN)c1cccs1 ZINC000019795937 177117613 /nfs/dbraw/zinc/11/76/13/177117613.db2.gz VTSYJYZZOKKKPD-GRYCIOLGSA-N 2 0 238.400 3.011 10 0 BGAERP C[C@H]1CCCC[N@@H+]1C1(CN)CCCCCCC1 ZINC000019807665 177073928 /nfs/dbraw/zinc/07/39/28/177073928.db2.gz RVWNTSCJIXJCIH-AWEZNQCLSA-N 2 0 238.419 3.303 10 0 BGAERP NCC1([NH+]2CCCCCC2)CCCCCCC1 ZINC000019807722 181360678 /nfs/dbraw/zinc/36/06/78/181360678.db2.gz NHVMAFAXUBBRNC-UHFFFAOYSA-N 2 0 238.419 3.304 10 0 BGAERP C[C@@H]1C[C@H](C)C[N@H+](C2(CN)CCCCCC2)C1 ZINC000019807798 177312005 /nfs/dbraw/zinc/31/20/05/177312005.db2.gz XFKHWSRYZQABNP-OKILXGFUSA-N 2 0 238.419 3.016 10 0 BGAERP C[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2ccccc2)C1 ZINC000019807905 176134224 /nfs/dbraw/zinc/13/42/24/176134224.db2.gz GEHWPHJSKLNXPA-GDBMZVCRSA-N 2 0 246.398 3.026 10 0 BGAERP C[C@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2ccccc2)C1 ZINC000019807906 177127906 /nfs/dbraw/zinc/12/79/06/177127906.db2.gz GEHWPHJSKLNXPA-GOEBONIOSA-N 2 0 246.398 3.026 10 0 BGAERP C[C@@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2ccccc2)C1 ZINC000019807908 176151490 /nfs/dbraw/zinc/15/14/90/176151490.db2.gz GEHWPHJSKLNXPA-ZBFHGGJFSA-N 2 0 246.398 3.026 10 0 BGAERP C[C@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2ccccc2)C1 ZINC000019807909 177143900 /nfs/dbraw/zinc/14/39/00/177143900.db2.gz GEHWPHJSKLNXPA-HOCLYGCPSA-N 2 0 246.398 3.026 10 0 BGAERP CC1CCC(C[NH3+])([N@H+](C)Cc2ccccc2)CC1 ZINC000019807910 168154065 /nfs/dbraw/zinc/15/40/65/168154065.db2.gz RZKZRXDAPQRZPE-UHFFFAOYSA-N 2 0 246.398 3.026 10 0 BGAERP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000019958233 411044830 /nfs/dbraw/zinc/04/48/30/411044830.db2.gz IFEXYFAVPGOELI-UONOGXRCSA-N 2 0 240.435 3.133 10 0 BGAERP C[NH+](C)CCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000019958237 411045660 /nfs/dbraw/zinc/04/56/60/411045660.db2.gz IFEXYFAVPGOELI-KBPBESRZSA-N 2 0 240.435 3.133 10 0 BGAERP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000019958240 411044590 /nfs/dbraw/zinc/04/45/90/411044590.db2.gz IFEXYFAVPGOELI-ZIAGYGMSSA-N 2 0 240.435 3.133 10 0 BGAERP C[NH+](C)CCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000019958244 411045649 /nfs/dbraw/zinc/04/56/49/411045649.db2.gz IFEXYFAVPGOELI-KGLIPLIRSA-N 2 0 240.435 3.133 10 0 BGAERP CCCCC[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020049128 168720621 /nfs/dbraw/zinc/72/06/21/168720621.db2.gz MBTMNQMHXPQCTJ-CQSZACIVSA-N 2 0 228.424 3.277 10 0 BGAERP CCC[NH+](CCC)CCCCCCC[NH3+] ZINC000020072274 169146934 /nfs/dbraw/zinc/14/69/34/169146934.db2.gz SQHMDVYBZHIWGR-UHFFFAOYSA-N 2 0 214.397 3.018 10 0 BGAERP [NH3+]CCC[NH+](C1CCCCC1)C1CCCCC1 ZINC000020072500 181379851 /nfs/dbraw/zinc/37/98/51/181379851.db2.gz DSGMGZHEVFYVES-UHFFFAOYSA-N 2 0 238.419 3.303 10 0 BGAERP CCC(CC)C[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128590 168362257 /nfs/dbraw/zinc/36/22/57/168362257.db2.gz POGPGFABJVHPIQ-UHFFFAOYSA-N 2 0 248.414 3.274 10 0 BGAERP CCC(CC)[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128622 168389803 /nfs/dbraw/zinc/38/98/03/168389803.db2.gz YZQCDNWQAGXEQO-UHFFFAOYSA-N 2 0 234.387 3.026 10 0 BGAERP CCC[C@@H](C)C[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128674 169360099 /nfs/dbraw/zinc/36/00/99/169360099.db2.gz HTZFNDVMPNVTFH-CQSZACIVSA-N 2 0 248.414 3.274 10 0 BGAERP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128681 171365382 /nfs/dbraw/zinc/36/53/82/171365382.db2.gz QITISNQAKVWLMX-UONOGXRCSA-N 2 0 248.414 3.272 10 0 BGAERP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128682 170791374 /nfs/dbraw/zinc/79/13/74/170791374.db2.gz QITISNQAKVWLMX-KGLIPLIRSA-N 2 0 248.414 3.272 10 0 BGAERP CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020128683 171389553 /nfs/dbraw/zinc/38/95/53/171389553.db2.gz QITISNQAKVWLMX-KBPBESRZSA-N 2 0 248.414 3.272 10 0 BGAERP CCC(CC)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020143280 168387525 /nfs/dbraw/zinc/38/75/25/168387525.db2.gz VLIMGHGZSORDPY-UHFFFAOYSA-N 2 0 226.408 3.074 10 0 BGAERP CCC[C@@H](C)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020143470 169358655 /nfs/dbraw/zinc/35/86/55/169358655.db2.gz DHZWBGUMZLSABO-GFCCVEGCSA-N 2 0 240.435 3.321 10 0 BGAERP Cc1ccc([C@H]([NH3+])CC[NH+]2CCCCCC2)cc1 ZINC000020273922 178907149 /nfs/dbraw/zinc/90/71/49/178907149.db2.gz HAOVJKLPJXTRHO-MRXNPFEDSA-N 2 0 246.398 3.261 10 0 BGAERP CCCCCC[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000020520503 168667177 /nfs/dbraw/zinc/66/71/77/168667177.db2.gz FSAOPPNJUBAYIR-OAHLLOKOSA-N 2 0 240.435 3.277 10 0 BGAERP NCC1([NH+]2CCCCCCC2)CCCCCC1 ZINC000020556527 181360945 /nfs/dbraw/zinc/36/09/45/181360945.db2.gz LJPZKWOAYRUDNJ-UHFFFAOYSA-N 2 0 238.419 3.304 10 0 BGAERP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]cc1 ZINC000021008800 343140316 /nfs/dbraw/zinc/14/03/16/343140316.db2.gz YWDMGEVSTYEXRO-CYBMUJFWSA-N 2 0 235.375 3.004 10 0 BGAERP CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]cc1 ZINC000021008801 343140384 /nfs/dbraw/zinc/14/03/84/343140384.db2.gz YWDMGEVSTYEXRO-ZDUSSCGKSA-N 2 0 235.375 3.004 10 0 BGAERP CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH+]1CCCCC1 ZINC000026443073 169282454 /nfs/dbraw/zinc/28/24/54/169282454.db2.gz WBHKZFZDAYFAAD-HUUCEWRRSA-N 2 0 238.419 3.031 10 0 BGAERP CCC[NH2+][C@H]1CCCC[C@@H]1C[NH+]1CCCCC1 ZINC000026443076 169290850 /nfs/dbraw/zinc/29/08/50/169290850.db2.gz WBHKZFZDAYFAAD-CABCVRRESA-N 2 0 238.419 3.031 10 0 BGAERP CCC[NH2+][C@@H]1CCCC[C@H]1C[NH+]1CCCCC1 ZINC000026443078 169282500 /nfs/dbraw/zinc/28/25/00/169282500.db2.gz WBHKZFZDAYFAAD-LSDHHAIUSA-N 2 0 238.419 3.031 10 0 BGAERP CCC[NH2+][C@H]1CCCC[C@H]1C[NH+]1CCCCC1 ZINC000026443081 169290384 /nfs/dbraw/zinc/29/03/84/169290384.db2.gz WBHKZFZDAYFAAD-GJZGRUSLSA-N 2 0 238.419 3.031 10 0 BGAERP CCC[C@](C)(C[NH3+])[N@H+](CC)Cc1ccccc1 ZINC000034958049 351364208 /nfs/dbraw/zinc/36/42/08/351364208.db2.gz UVEPJCJMYICHBD-OAHLLOKOSA-N 2 0 234.387 3.026 10 0 BGAERP C[C@@H]1CCCC[C@]1(CN)[N@H+](C)C1CCCCC1 ZINC000035176698 176090004 /nfs/dbraw/zinc/09/00/04/176090004.db2.gz ATXGGIFAJONNJQ-UKRRQHHQSA-N 2 0 238.419 3.159 10 0 BGAERP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)C2CCCCC2)C1 ZINC000035234767 176224503 /nfs/dbraw/zinc/22/45/03/176224503.db2.gz DQJNCQMSYUJVHJ-UMVBOHGHSA-N 2 0 238.419 3.014 10 0 BGAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)C2CCCCC2)C1 ZINC000035234769 176202503 /nfs/dbraw/zinc/20/25/03/176202503.db2.gz DQJNCQMSYUJVHJ-VNHYZAJKSA-N 2 0 238.419 3.014 10 0 BGAERP CCC[N@H+](CC1CC1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000035452121 169138822 /nfs/dbraw/zinc/13/88/22/169138822.db2.gz FUTALNPVEZXRFP-HUUCEWRRSA-N 2 0 238.419 3.016 10 0 BGAERP CCC[N@H+](CC1CC1)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000035452124 169137478 /nfs/dbraw/zinc/13/74/78/169137478.db2.gz FUTALNPVEZXRFP-CABCVRRESA-N 2 0 238.419 3.016 10 0 BGAERP CCC[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000036198723 169177091 /nfs/dbraw/zinc/17/70/91/169177091.db2.gz VUBYJOXLVDYNJM-HZPDHXFCSA-N 2 0 246.398 3.026 10 0 BGAERP CCC[N@H+](Cc1ccccc1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000036198725 169177575 /nfs/dbraw/zinc/17/75/75/169177575.db2.gz VUBYJOXLVDYNJM-CVEARBPZSA-N 2 0 246.398 3.026 10 0 BGAERP CCC[N@H+](Cc1ccccc1)[C@@H](CC)CC[NH3+] ZINC000036198745 169178018 /nfs/dbraw/zinc/17/80/18/169178018.db2.gz LQQRBYWCOZOZNY-HNNXBMFYSA-N 2 0 234.387 3.026 10 0 BGAERP CCC[N@H+](Cc1ccccc1)[C@H](CC)CC[NH3+] ZINC000036198747 169178135 /nfs/dbraw/zinc/17/81/35/169178135.db2.gz LQQRBYWCOZOZNY-OAHLLOKOSA-N 2 0 234.387 3.026 10 0 BGAERP CCC(CC)C[N@H+](CC)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000036198888 168351326 /nfs/dbraw/zinc/35/13/26/168351326.db2.gz HHACXJJCLGDARA-HUUCEWRRSA-N 2 0 240.435 3.262 10 0 BGAERP CCC(CC)C[N@H+](CC)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000036198890 168349734 /nfs/dbraw/zinc/34/97/34/168349734.db2.gz HHACXJJCLGDARA-CABCVRRESA-N 2 0 240.435 3.262 10 0 BGAERP CCC(CC)C[N@H+](CC)Cc1ccccc1C[NH3+] ZINC000036198925 168351427 /nfs/dbraw/zinc/35/14/27/168351427.db2.gz HBBTTWIXQCISIP-UHFFFAOYSA-N 2 0 248.414 3.403 10 0 BGAERP CCC(CC)C[N@H+](CC)Cc1ccc(C[NH3+])cc1 ZINC000036198927 168351353 /nfs/dbraw/zinc/35/13/53/168351353.db2.gz YPDBNQLVDJTFLO-UHFFFAOYSA-N 2 0 248.414 3.403 10 0 BGAERP [NH3+]CCC[N@H+](C1CCCC1)C1CCCCCC1 ZINC000036732268 181380124 /nfs/dbraw/zinc/38/01/24/181380124.db2.gz VWMWKIDXAJXRCK-UHFFFAOYSA-N 2 0 238.419 3.303 10 0 BGAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)[C@@H](C)C(C)C)C1 ZINC000036786619 171056151 /nfs/dbraw/zinc/05/61/51/171056151.db2.gz ZIIJTHGJZVFLHY-GBJTYRQASA-N 2 0 240.435 3.116 10 0 BGAERP CCC(CC)[N@H+](C)[C@@H]1C[C@H](CC)CC[C@@H]1C[NH3+] ZINC000036788547 168369295 /nfs/dbraw/zinc/36/92/95/168369295.db2.gz OYCBLXPFYIYJGZ-UMVBOHGHSA-N 2 0 240.435 3.260 10 0 BGAERP CCC(CC)[N@H+](C)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000036788548 168369104 /nfs/dbraw/zinc/36/91/04/168369104.db2.gz OYCBLXPFYIYJGZ-GZBFAFLISA-N 2 0 240.435 3.260 10 0 BGAERP CCC(CC)[N@H+](C)[C@@H]1C[C@H](CC)CC[C@H]1C[NH3+] ZINC000036788549 168369120 /nfs/dbraw/zinc/36/91/20/168369120.db2.gz OYCBLXPFYIYJGZ-VNHYZAJKSA-N 2 0 240.435 3.260 10 0 BGAERP CC[C@H](C)C[C@@](CC)(CN)[N@@H+]1CCC[C@H](C)C1 ZINC000036849301 171296654 /nfs/dbraw/zinc/29/66/54/171296654.db2.gz BTAFPCYAJAKMNO-KKUMJFAQSA-N 2 0 240.435 3.262 10 0 BGAERP CCC[N@H+](CC)[C@@H](CN)c1ccc(C)cc1C ZINC000037094649 169132295 /nfs/dbraw/zinc/13/22/95/169132295.db2.gz QEYSBGOTGAZDRA-HNNXBMFYSA-N 2 0 234.387 3.035 10 0 BGAERP CCC[N@H+](CC)[C@H](CN)c1ccc(C)cc1C ZINC000037094650 169131570 /nfs/dbraw/zinc/13/15/70/169131570.db2.gz QEYSBGOTGAZDRA-OAHLLOKOSA-N 2 0 234.387 3.035 10 0 BGAERP C[C@@H]1C[C@H](C)C[N@@H+](CC[C@H]([NH3+])c2ccccc2)C1 ZINC000037115996 177313654 /nfs/dbraw/zinc/31/36/54/177313654.db2.gz GBNMWQFQAYYVOF-LZWOXQAQSA-N 2 0 246.398 3.054 10 0 BGAERP C[C@@H]1C[C@@H](C)C[NH+](CC[C@H]([NH3+])c2ccccc2)C1 ZINC000037115998 176361420 /nfs/dbraw/zinc/36/14/20/176361420.db2.gz GBNMWQFQAYYVOF-FMKPAKJESA-N 2 0 246.398 3.054 10 0 BGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CC[C@H]([NH3+])c1ccccc1 ZINC000037116008 177116789 /nfs/dbraw/zinc/11/67/89/177116789.db2.gz MEVPIADOSBCKJL-LZWOXQAQSA-N 2 0 246.398 3.339 10 0 BGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CC[C@H]([NH3+])c1ccccc1 ZINC000037116010 176115218 /nfs/dbraw/zinc/11/52/18/176115218.db2.gz MEVPIADOSBCKJL-FMKPAKJESA-N 2 0 246.398 3.339 10 0 BGAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+]2CCCC[C@@H]2C)C1 ZINC000037157078 171056578 /nfs/dbraw/zinc/05/65/78/171056578.db2.gz GMAYGQKKMQOIJO-GBJTYRQASA-N 2 0 238.419 3.014 10 0 BGAERP CC(C)C[C@@H](CN(C)C)[NH2+]C1CCC(C)CC1 ZINC000037166722 188254916 /nfs/dbraw/zinc/25/49/16/188254916.db2.gz LWDMRFQFOKRYCB-NRXISQOPSA-N 2 0 240.435 3.131 10 0 BGAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C2CCCC2)CC1 ZINC000037208716 169191869 /nfs/dbraw/zinc/19/18/69/169191869.db2.gz XFWFZIJFQOKOTI-CYBMUJFWSA-N 2 0 238.419 3.029 10 0 BGAERP CCC[NH+]1CCC([C@H](C)[NH2+]C2CCCC2)CC1 ZINC000037208717 169190725 /nfs/dbraw/zinc/19/07/25/169190725.db2.gz XFWFZIJFQOKOTI-ZDUSSCGKSA-N 2 0 238.419 3.029 10 0 BGAERP CC[C@H](C)[NH2+]CCN1CCC[C@H]2CCCC[C@@H]21 ZINC000037617954 171340379 /nfs/dbraw/zinc/34/03/79/171340379.db2.gz ZXBVZMQEKBLMOC-ZNMIVQPWSA-N 2 0 238.419 3.029 10 0 BGAERP CC[N@H+](CC1CCC([NH3+])CC1)C1CCCCC1 ZINC000037630848 169812124 /nfs/dbraw/zinc/81/21/24/169812124.db2.gz CBFTZKYOSJIFKK-UHFFFAOYSA-N 2 0 238.419 3.159 10 0 BGAERP Cc1ccc(C[N@@H+](C)CCCC[NH2+]C(C)C)cc1 ZINC000037634927 188114230 /nfs/dbraw/zinc/11/42/30/188114230.db2.gz QYPSWNYEPMDNLU-UHFFFAOYSA-N 2 0 248.414 3.205 10 0 BGAERP CC(C)[NH2+]CCCC[N@H+](C)C1CCCCCC1 ZINC000037634953 167101464 /nfs/dbraw/zinc/10/14/64/167101464.db2.gz OPHHLONUXPQKFU-UHFFFAOYSA-N 2 0 240.435 3.419 10 0 BGAERP CCC[NH2+]C1CC[NH+](CCC2CCCC2)CC1 ZINC000037741407 169255733 /nfs/dbraw/zinc/25/57/33/169255733.db2.gz CFLSMYXQWTZEJG-UHFFFAOYSA-N 2 0 238.419 3.031 10 0 BGAERP CC[NH2+]C1CC[NH+](CCC2CCCCC2)CC1 ZINC000037741966 170108150 /nfs/dbraw/zinc/10/81/50/170108150.db2.gz MHDCFYOSQYJWHB-UHFFFAOYSA-N 2 0 238.419 3.031 10 0 BGAERP CCC[C@@H](C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000037786562 169358617 /nfs/dbraw/zinc/35/86/17/169358617.db2.gz IVPBBGSSJUPHEH-CYBMUJFWSA-N 2 0 240.435 3.275 10 0 BGAERP C[C@H]1CCC[N@@H+]1[C@]1(CN)C[C@H](C)CC(C)(C)C1 ZINC000037910502 177112342 /nfs/dbraw/zinc/11/23/42/177112342.db2.gz LMTZEQIMQIWEPV-VNHYZAJKSA-N 2 0 238.419 3.014 10 0 BGAERP CC[C@H](C)C[C@@](CC)(CN)[N@@H+]1CCC[C@H]1CC ZINC000037913430 171296140 /nfs/dbraw/zinc/29/61/40/171296140.db2.gz MPYGGJCPYUNTMI-ZNMIVQPWSA-N 2 0 240.435 3.405 10 0 BGAERP CC[C@H](C)C[C@@](CC)(CN)[N@@H+]1CCC[C@@H]1CC ZINC000037913431 171296379 /nfs/dbraw/zinc/29/63/79/171296379.db2.gz MPYGGJCPYUNTMI-KKUMJFAQSA-N 2 0 240.435 3.405 10 0 BGAERP CC(C)C[C@H](c1ccccc1)[N@@H+]1CCC[NH2+]CC1 ZINC000038086901 188116555 /nfs/dbraw/zinc/11/65/55/188116555.db2.gz DASYROHAEVDXIE-MRXNPFEDSA-N 2 0 246.398 3.069 10 0 BGAERP CC(C)[NH2+]CCCCCCCC[NH2+]C(C)C ZINC000038272303 343373092 /nfs/dbraw/zinc/37/30/92/343373092.db2.gz LWVDSBZSCCQWQY-UHFFFAOYSA-N 2 0 228.424 3.323 10 0 BGAERP CC[NH+](CC)CCCCCCCCCC[NH3+] ZINC000039019817 343113130 /nfs/dbraw/zinc/11/31/30/343113130.db2.gz DZDBMYBYNFWYBN-UHFFFAOYSA-N 2 0 228.424 3.408 10 0 BGAERP CC[NH2+]CCCCCCCCCC[NH2+]CC ZINC000039170408 343386736 /nfs/dbraw/zinc/38/67/36/343386736.db2.gz ZJZKKDSOLWKKKL-UHFFFAOYSA-N 2 0 228.424 3.326 10 0 BGAERP CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000040431890 188118646 /nfs/dbraw/zinc/11/86/46/188118646.db2.gz JQELSRZROWCWHY-JKSUJKDBSA-N 2 0 246.398 3.167 10 0 BGAERP CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000040431891 188117896 /nfs/dbraw/zinc/11/78/96/188117896.db2.gz JQELSRZROWCWHY-HOTGVXAUSA-N 2 0 246.398 3.167 10 0 BGAERP CCC1CCC([NH2+][C@@H]2CCCN(CC)C2)CC1 ZINC000040502067 358493218 /nfs/dbraw/zinc/49/32/18/358493218.db2.gz SWBGRVPDIAYEQW-YMAMQOFZSA-N 2 0 238.419 3.029 10 0 BGAERP CCC1CCC([NH2+][C@H]2CCCN(CC)C2)CC1 ZINC000040502068 358492894 /nfs/dbraw/zinc/49/28/94/358492894.db2.gz SWBGRVPDIAYEQW-NRXISQOPSA-N 2 0 238.419 3.029 10 0 BGAERP CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000040502155 358493239 /nfs/dbraw/zinc/49/32/39/358493239.db2.gz DLGKHQFRDMMGJZ-HOCLYGCPSA-N 2 0 246.398 3.130 10 0 BGAERP CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000040502156 358492888 /nfs/dbraw/zinc/49/28/88/358492888.db2.gz DLGKHQFRDMMGJZ-GOEBONIOSA-N 2 0 246.398 3.130 10 0 BGAERP CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccccc1 ZINC000040502157 358492795 /nfs/dbraw/zinc/49/27/95/358492795.db2.gz FUEOSHHCHOFEHP-CVEARBPZSA-N 2 0 246.398 3.212 10 0 BGAERP CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccccc1 ZINC000040502158 358492814 /nfs/dbraw/zinc/49/28/14/358492814.db2.gz FUEOSHHCHOFEHP-HZPDHXFCSA-N 2 0 246.398 3.212 10 0 BGAERP CC[C@H]([NH2+][C@H]1CCCN(CC)C1)c1ccccc1 ZINC000040502159 358492836 /nfs/dbraw/zinc/49/28/36/358492836.db2.gz FUEOSHHCHOFEHP-HOTGVXAUSA-N 2 0 246.398 3.212 10 0 BGAERP CC[C@@H]([NH2+][C@H]1CCCN(CC)C1)c1ccccc1 ZINC000040502160 358492848 /nfs/dbraw/zinc/49/28/48/358492848.db2.gz FUEOSHHCHOFEHP-JKSUJKDBSA-N 2 0 246.398 3.212 10 0 BGAERP CCN1CCC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000040502279 358492962 /nfs/dbraw/zinc/49/29/62/358492962.db2.gz DVKZRGIBANJWAR-GJZGRUSLSA-N 2 0 246.398 3.130 10 0 BGAERP CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000040502280 358492804 /nfs/dbraw/zinc/49/28/04/358492804.db2.gz DVKZRGIBANJWAR-LSDHHAIUSA-N 2 0 246.398 3.130 10 0 BGAERP CCC[NH2+]CCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000042409661 169256796 /nfs/dbraw/zinc/25/67/96/169256796.db2.gz SXQDRBSIQMDGIK-CABCVRRESA-N 2 0 238.419 3.031 10 0 BGAERP CCC[NH2+]CCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000042409662 169257431 /nfs/dbraw/zinc/25/74/31/169257431.db2.gz SXQDRBSIQMDGIK-GJZGRUSLSA-N 2 0 238.419 3.031 10 0 BGAERP Cc1ccccc1C[N@@H+](C)CCCC[NH2+]C(C)C ZINC000042436151 179269148 /nfs/dbraw/zinc/26/91/48/179269148.db2.gz DPLFBSUEKGELRI-UHFFFAOYSA-N 2 0 248.414 3.205 10 0 BGAERP C[C@@H]1CCC[C@H]([N@H+](C)CC2CCC([NH3+])CC2)C1 ZINC000042495868 176140237 /nfs/dbraw/zinc/14/02/37/176140237.db2.gz XYSZHGVPYBUFKB-URGYJCLVSA-N 2 0 238.419 3.014 10 0 BGAERP C[C@H]1CCC[C@H]([N@H+](C)CC2CCC([NH3+])CC2)C1 ZINC000042495870 177134096 /nfs/dbraw/zinc/13/40/96/177134096.db2.gz XYSZHGVPYBUFKB-PPWQZUPISA-N 2 0 238.419 3.014 10 0 BGAERP C[C@@H]1CCC[C@@H]([N@H+](C)CC2CCC([NH3+])CC2)C1 ZINC000042495872 176121236 /nfs/dbraw/zinc/12/12/36/176121236.db2.gz XYSZHGVPYBUFKB-XSCHDIRWSA-N 2 0 238.419 3.014 10 0 BGAERP C[C@H]1CCC[C@@H]([N@H+](C)CC2CCC([NH3+])CC2)C1 ZINC000042495874 177120077 /nfs/dbraw/zinc/12/00/77/177120077.db2.gz XYSZHGVPYBUFKB-VXGQWTEUSA-N 2 0 238.419 3.014 10 0 BGAERP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000042553251 171366994 /nfs/dbraw/zinc/36/69/94/171366994.db2.gz CIOKPZXCTQNSBH-LJISPDSOSA-N 2 0 240.435 3.131 10 0 BGAERP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000042553257 171390609 /nfs/dbraw/zinc/39/06/09/171390609.db2.gz CIOKPZXCTQNSBH-ZQDZILKHSA-N 2 0 240.435 3.131 10 0 BGAERP CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000042553278 170774273 /nfs/dbraw/zinc/77/42/73/170774273.db2.gz DPNJBBQRTVSSMQ-MCIONIFRSA-N 2 0 240.435 3.131 10 0 BGAERP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000042553281 171366828 /nfs/dbraw/zinc/36/68/28/171366828.db2.gz DPNJBBQRTVSSMQ-MJBXVCDLSA-N 2 0 240.435 3.131 10 0 BGAERP CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000042553284 170791932 /nfs/dbraw/zinc/79/19/32/170791932.db2.gz DPNJBBQRTVSSMQ-RDBSUJKOSA-N 2 0 240.435 3.131 10 0 BGAERP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000042553287 171390394 /nfs/dbraw/zinc/39/03/94/171390394.db2.gz DPNJBBQRTVSSMQ-IHRRRGAJSA-N 2 0 240.435 3.131 10 0 BGAERP CC(C)C[C@H](C)[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000042562666 188120685 /nfs/dbraw/zinc/12/06/85/188120685.db2.gz CTRCOZQWLXETHS-ZDUSSCGKSA-N 2 0 234.387 3.012 10 0 BGAERP CC(C)C[C@@H](C)[N@H+](C)Cc1ccccc1C[NH3+] ZINC000042562668 188121057 /nfs/dbraw/zinc/12/10/57/188121057.db2.gz LQIZRAGFEGHWHW-CYBMUJFWSA-N 2 0 234.387 3.012 10 0 BGAERP CC(C)C[C@@H](C)[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000042562692 188293416 /nfs/dbraw/zinc/29/34/16/188293416.db2.gz DHRBXCLAIMGOMW-CYBMUJFWSA-N 2 0 234.387 3.012 10 0 BGAERP CC(C)C[C@H](C)[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000042562694 188294199 /nfs/dbraw/zinc/29/41/99/188294199.db2.gz DHRBXCLAIMGOMW-ZDUSSCGKSA-N 2 0 234.387 3.012 10 0 BGAERP CC(C)C[C@H](C)[N@H+](C)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000042562785 188294028 /nfs/dbraw/zinc/29/40/28/188294028.db2.gz JWTPFGCTKZYMKO-RRFJBIMHSA-N 2 0 240.435 3.260 10 0 BGAERP CC(C)[N@H+](CC1CC1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000042563278 188120487 /nfs/dbraw/zinc/12/04/87/188120487.db2.gz ANWAFPWELPPMLJ-HUUCEWRRSA-N 2 0 238.419 3.014 10 0 BGAERP CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2CC)CC1 ZINC000042580602 170109805 /nfs/dbraw/zinc/10/98/05/170109805.db2.gz HFETVMSHBAECQG-HIFRSBDPSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2CC)CC1 ZINC000042580605 170109927 /nfs/dbraw/zinc/10/99/27/170109927.db2.gz HFETVMSHBAECQG-ZFWWWQNUSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2CC)CC1 ZINC000042580608 170109343 /nfs/dbraw/zinc/10/93/43/170109343.db2.gz HFETVMSHBAECQG-UKRRQHHQSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2CC)CC1 ZINC000042580611 170109277 /nfs/dbraw/zinc/10/92/77/170109277.db2.gz HFETVMSHBAECQG-DZGCQCFKSA-N 2 0 238.419 3.029 10 0 BGAERP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2CC)C1 ZINC000042580653 169282697 /nfs/dbraw/zinc/28/26/97/169282697.db2.gz NJAQNCGXNYNZBA-RRFJBIMHSA-N 2 0 238.419 3.029 10 0 BGAERP CCC[NH2+][C@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2CC)C1 ZINC000042580656 169291418 /nfs/dbraw/zinc/29/14/18/169291418.db2.gz NJAQNCGXNYNZBA-SOUVJXGZSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+]C1CC[NH+](C2CCC(CC)CC2)CC1 ZINC000042580712 170108754 /nfs/dbraw/zinc/10/87/54/170108754.db2.gz LBMQVHAEYRFLDL-UHFFFAOYSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+]C1CC[NH+]([C@@H](C)CCCC(C)C)CC1 ZINC000042590280 170110028 /nfs/dbraw/zinc/11/00/28/170110028.db2.gz HVYVEHHVCGNTHR-AWEZNQCLSA-N 2 0 240.435 3.275 10 0 BGAERP CC[NH2+]C1CC[NH+]([C@H](C)CCCC(C)C)CC1 ZINC000042590282 170109736 /nfs/dbraw/zinc/10/97/36/170109736.db2.gz HVYVEHHVCGNTHR-CQSZACIVSA-N 2 0 240.435 3.275 10 0 BGAERP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CN1CCCC1 ZINC000042597657 179338565 /nfs/dbraw/zinc/33/85/65/179338565.db2.gz LKRBWODCDKQXDV-CABCVRRESA-N 2 0 246.398 3.130 10 0 BGAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000042602182 176079146 /nfs/dbraw/zinc/07/91/46/176079146.db2.gz KUXOFZSGCPDERV-CJNGLKHVSA-N 2 0 246.398 3.156 10 0 BGAERP C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000042602184 177080447 /nfs/dbraw/zinc/08/04/47/177080447.db2.gz KUXOFZSGCPDERV-BBRMVZONSA-N 2 0 246.398 3.156 10 0 BGAERP C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000042602186 176086535 /nfs/dbraw/zinc/08/65/35/176086535.db2.gz KUXOFZSGCPDERV-CZUORRHYSA-N 2 0 246.398 3.156 10 0 BGAERP C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000042602187 177087004 /nfs/dbraw/zinc/08/70/04/177087004.db2.gz KUXOFZSGCPDERV-XJKSGUPXSA-N 2 0 246.398 3.156 10 0 BGAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1C[NH3+] ZINC000042602188 176078979 /nfs/dbraw/zinc/07/89/79/176078979.db2.gz DTVHIBGNLIJKLV-CJNGLKHVSA-N 2 0 246.398 3.156 10 0 BGAERP C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1C[NH3+] ZINC000042602190 177081212 /nfs/dbraw/zinc/08/12/12/177081212.db2.gz DTVHIBGNLIJKLV-BBRMVZONSA-N 2 0 246.398 3.156 10 0 BGAERP C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1C[NH3+] ZINC000042602192 176086659 /nfs/dbraw/zinc/08/66/59/176086659.db2.gz DTVHIBGNLIJKLV-CZUORRHYSA-N 2 0 246.398 3.156 10 0 BGAERP C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1C[NH3+] ZINC000042602194 177087413 /nfs/dbraw/zinc/08/74/13/177087413.db2.gz DTVHIBGNLIJKLV-XJKSGUPXSA-N 2 0 246.398 3.156 10 0 BGAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000042602203 176078817 /nfs/dbraw/zinc/07/88/17/176078817.db2.gz QCPVLBOVSURHOF-CJNGLKHVSA-N 2 0 246.398 3.156 10 0 BGAERP C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000042602205 177081106 /nfs/dbraw/zinc/08/11/06/177081106.db2.gz QCPVLBOVSURHOF-BBRMVZONSA-N 2 0 246.398 3.156 10 0 BGAERP C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000042602207 176086647 /nfs/dbraw/zinc/08/66/47/176086647.db2.gz QCPVLBOVSURHOF-CZUORRHYSA-N 2 0 246.398 3.156 10 0 BGAERP C[C@H]1CCCC[C@H]1[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000042602208 177087171 /nfs/dbraw/zinc/08/71/71/177087171.db2.gz QCPVLBOVSURHOF-XJKSGUPXSA-N 2 0 246.398 3.156 10 0 BGAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042602340 176079176 /nfs/dbraw/zinc/07/91/76/176079176.db2.gz VYMGWEFSNFMPHU-APIJFGDWSA-N 2 0 238.419 3.014 10 0 BGAERP C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042602342 177081338 /nfs/dbraw/zinc/08/13/38/177081338.db2.gz VYMGWEFSNFMPHU-LJISPDSOSA-N 2 0 238.419 3.014 10 0 BGAERP C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042602344 176086935 /nfs/dbraw/zinc/08/69/35/176086935.db2.gz VYMGWEFSNFMPHU-KBUPBQIOSA-N 2 0 238.419 3.014 10 0 BGAERP C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042602346 177087099 /nfs/dbraw/zinc/08/70/99/177087099.db2.gz VYMGWEFSNFMPHU-GBJTYRQASA-N 2 0 238.419 3.014 10 0 BGAERP CCC[C@@H](N)[C@@H](CC)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042607227 169393115 /nfs/dbraw/zinc/39/31/15/169393115.db2.gz VBTRKPCSVGPMFH-GBJTYRQASA-N 2 0 240.435 3.403 10 0 BGAERP CCC[C@@H](N)[C@H](CC)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042607229 169392745 /nfs/dbraw/zinc/39/27/45/169392745.db2.gz VBTRKPCSVGPMFH-LJISPDSOSA-N 2 0 240.435 3.403 10 0 BGAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000042607990 176078399 /nfs/dbraw/zinc/07/83/99/176078399.db2.gz YOUVJRBKLGSZPV-ILXRZTDVSA-N 2 0 238.419 3.029 10 0 BGAERP C[C@H]1CCCC[C@@H]1[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000042607991 177080576 /nfs/dbraw/zinc/08/05/76/177080576.db2.gz YOUVJRBKLGSZPV-KKUMJFAQSA-N 2 0 238.419 3.029 10 0 BGAERP C[C@@H]1CCCC[C@H]1[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000042607992 176086855 /nfs/dbraw/zinc/08/68/55/176086855.db2.gz YOUVJRBKLGSZPV-QLFBSQMISA-N 2 0 238.419 3.029 10 0 BGAERP C[C@H]1CCCC[C@H]1[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000042607993 177087214 /nfs/dbraw/zinc/08/72/14/177087214.db2.gz YOUVJRBKLGSZPV-SOUVJXGZSA-N 2 0 238.419 3.029 10 0 BGAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)CCC[NH2+]C(C)(C)C ZINC000042609961 176078524 /nfs/dbraw/zinc/07/85/24/176078524.db2.gz BUFMSRVOWLMIMB-KGLIPLIRSA-N 2 0 240.435 3.275 10 0 BGAERP C[C@H]1CCCC[C@@H]1[N@H+](C)CCC[NH2+]C(C)(C)C ZINC000042609962 177081124 /nfs/dbraw/zinc/08/11/24/177081124.db2.gz BUFMSRVOWLMIMB-KBPBESRZSA-N 2 0 240.435 3.275 10 0 BGAERP C[C@@H]1CCCC[C@H]1[N@H+](C)CCC[NH2+]C(C)(C)C ZINC000042609963 176086931 /nfs/dbraw/zinc/08/69/31/176086931.db2.gz BUFMSRVOWLMIMB-ZIAGYGMSSA-N 2 0 240.435 3.275 10 0 BGAERP C[C@H]1CCCC[C@H]1[N@H+](C)CCC[NH2+]C(C)(C)C ZINC000042609964 177087320 /nfs/dbraw/zinc/08/73/20/177087320.db2.gz BUFMSRVOWLMIMB-UONOGXRCSA-N 2 0 240.435 3.275 10 0 BGAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)CC1CCC([NH3+])CC1 ZINC000042611148 176079290 /nfs/dbraw/zinc/07/92/90/176079290.db2.gz KNWZJYYHLCQDAP-URGYJCLVSA-N 2 0 238.419 3.014 10 0 BGAERP C[C@H]1CCCC[C@@H]1[N@H+](C)CC1CCC([NH3+])CC1 ZINC000042611150 177080806 /nfs/dbraw/zinc/08/08/06/177080806.db2.gz KNWZJYYHLCQDAP-PPWQZUPISA-N 2 0 238.419 3.014 10 0 BGAERP C[C@@H]1CCCC[C@H]1[N@H+](C)CC1CCC([NH3+])CC1 ZINC000042611152 176086927 /nfs/dbraw/zinc/08/69/27/176086927.db2.gz KNWZJYYHLCQDAP-XSCHDIRWSA-N 2 0 238.419 3.014 10 0 BGAERP C[C@H]1CCCC[C@H]1[N@H+](C)CC1CCC([NH3+])CC1 ZINC000042611154 177087182 /nfs/dbraw/zinc/08/71/82/177087182.db2.gz KNWZJYYHLCQDAP-VXGQWTEUSA-N 2 0 238.419 3.014 10 0 BGAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)C1(CN)CCCCC1 ZINC000042679731 176077401 /nfs/dbraw/zinc/07/74/01/176077401.db2.gz UXHJGWXUTDYNNI-KGLIPLIRSA-N 2 0 238.419 3.159 10 0 BGAERP C[C@@H]1CCCC[C@H]1[N@H+](C)C1(CN)CCCCC1 ZINC000042679733 176085214 /nfs/dbraw/zinc/08/52/14/176085214.db2.gz UXHJGWXUTDYNNI-ZIAGYGMSSA-N 2 0 238.419 3.159 10 0 BGAERP C[C@H]([N@H+](C)Cc1ccc(C[NH3+])cc1)C(C)(C)C ZINC000042739305 176745009 /nfs/dbraw/zinc/74/50/09/176745009.db2.gz AWSPBRSTTZFVHH-LBPRGKRZSA-N 2 0 234.387 3.012 10 0 BGAERP C[C@H]([N@H+](C)Cc1ccccc1C[NH3+])C(C)(C)C ZINC000042739309 176744648 /nfs/dbraw/zinc/74/46/48/176744648.db2.gz SIAFXZMOCSXNNE-LBPRGKRZSA-N 2 0 234.387 3.012 10 0 BGAERP C[C@H]([N@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+])C(C)(C)C ZINC000042739426 177202401 /nfs/dbraw/zinc/20/24/01/177202401.db2.gz XBFXDTNOOISKHU-IGQOVBAYSA-N 2 0 240.435 3.116 10 0 BGAERP CCC[N@H+](CC)[C@@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908239 169132554 /nfs/dbraw/zinc/13/25/54/169132554.db2.gz ZDDGUXPKSQDNNN-UKRRQHHQSA-N 2 0 234.387 3.115 10 0 BGAERP CCC[N@H+](CC)[C@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908242 169132206 /nfs/dbraw/zinc/13/22/06/169132206.db2.gz ZDDGUXPKSQDNNN-HIFRSBDPSA-N 2 0 234.387 3.115 10 0 BGAERP CCC[N@H+](CC)[C@@H](c1cccc(C)c1)[C@@H](C)N ZINC000042965970 169132007 /nfs/dbraw/zinc/13/20/07/169132007.db2.gz PTBOKIVJGUPKNT-UKRRQHHQSA-N 2 0 234.387 3.115 10 0 BGAERP CCC[N@H+](CC)[C@H](c1cccc(C)c1)[C@@H](C)N ZINC000042965972 169132088 /nfs/dbraw/zinc/13/20/88/169132088.db2.gz PTBOKIVJGUPKNT-HIFRSBDPSA-N 2 0 234.387 3.115 10 0 BGAERP CCC[N@H+](CC)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043034462 169131081 /nfs/dbraw/zinc/13/10/81/169131081.db2.gz LUJGHIXOOQZFKH-UKRRQHHQSA-N 2 0 234.387 3.115 10 0 BGAERP CCC[N@H+](CC)[C@H](c1ccccc1C)[C@@H](C)N ZINC000043034466 169131587 /nfs/dbraw/zinc/13/15/87/169131587.db2.gz LUJGHIXOOQZFKH-HIFRSBDPSA-N 2 0 234.387 3.115 10 0 BGAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C(C)(C)CC(C)(C)C ZINC000043435746 177365542 /nfs/dbraw/zinc/36/55/42/177365542.db2.gz PNWWBTCFXWVRGW-NWDGAFQWSA-N 2 0 226.408 3.013 10 0 BGAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C(C)(C)CC(C)(C)C ZINC000043435748 176370520 /nfs/dbraw/zinc/37/05/20/176370520.db2.gz PNWWBTCFXWVRGW-NEPJUHHUSA-N 2 0 226.408 3.013 10 0 BGAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C(C)(C)CC(C)(C)C ZINC000043435750 177326410 /nfs/dbraw/zinc/32/64/10/177326410.db2.gz PNWWBTCFXWVRGW-RYUDHWBXSA-N 2 0 226.408 3.013 10 0 BGAERP C[C@@H]1C[NH2+]CCC[N@@H+](C(C)(C)CC(C)(C)C)C1 ZINC000043437131 176324649 /nfs/dbraw/zinc/32/46/49/176324649.db2.gz NXBADCMRSYEKBM-CYBMUJFWSA-N 2 0 240.435 3.133 10 0 BGAERP C[C@H]1C[NH2+]CCC[N@@H+](C(C)(C)CC(C)(C)C)C1 ZINC000043437133 177281382 /nfs/dbraw/zinc/28/13/82/177281382.db2.gz NXBADCMRSYEKBM-ZDUSSCGKSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[N@H+](CCC(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000044374302 169140023 /nfs/dbraw/zinc/14/00/23/169140023.db2.gz OPDOGKXKLGKAPX-YIONKMFJSA-N 2 0 238.419 3.028 10 0 BGAERP CC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045089845 171340037 /nfs/dbraw/zinc/34/00/37/171340037.db2.gz SUCUTKNRPLAHKU-DZGCQCFKSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+]Cc1sc2ccccc2c1C[NH+](C)C ZINC000045206346 170133179 /nfs/dbraw/zinc/13/31/79/170133179.db2.gz BEOAPYUFHWXRRD-UHFFFAOYSA-N 2 0 248.395 3.072 10 0 BGAERP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CC(C)(C)C1 ZINC000045662851 384402560 /nfs/dbraw/zinc/40/25/60/384402560.db2.gz RSZYMERXFPVFOS-KGLIPLIRSA-N 2 0 240.435 3.133 10 0 BGAERP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CC(C)(C)C1 ZINC000045662855 176374904 /nfs/dbraw/zinc/37/49/04/176374904.db2.gz RSZYMERXFPVFOS-ZIAGYGMSSA-N 2 0 240.435 3.133 10 0 BGAERP Cc1ccccc1[C@H](C)[NH2+][C@H](CN(C)C)C(C)C ZINC000049196147 179338201 /nfs/dbraw/zinc/33/82/01/179338201.db2.gz PMWUEDMNULHMDX-GOEBONIOSA-N 2 0 248.414 3.232 10 0 BGAERP CC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000049526076 170109699 /nfs/dbraw/zinc/10/96/99/170109699.db2.gz BIJOJNODNVZIHW-AWEZNQCLSA-N 2 0 246.398 3.130 10 0 BGAERP CC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000049526077 170109135 /nfs/dbraw/zinc/10/91/35/170109135.db2.gz BIJOJNODNVZIHW-CQSZACIVSA-N 2 0 246.398 3.130 10 0 BGAERP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000049553441 387785014 /nfs/dbraw/zinc/78/50/14/387785014.db2.gz KHUMBXLSVKVVIW-RDBSUJKOSA-N 2 0 240.435 3.131 10 0 BGAERP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000049553443 176377261 /nfs/dbraw/zinc/37/72/61/176377261.db2.gz KHUMBXLSVKVVIW-HZSPNIEDSA-N 2 0 240.435 3.131 10 0 BGAERP CC(C)[N@H+](CCCCC(N)=[NH2+])Cc1ccccc1 ZINC000049579643 188153308 /nfs/dbraw/zinc/15/33/08/188153308.db2.gz PTZBLSAEOMBUFB-UHFFFAOYSA-N 2 0 247.386 3.003 10 0 BGAERP CC(C)[N@H+](CCCCC[NH3+])Cc1ccccc1 ZINC000049580631 188125293 /nfs/dbraw/zinc/12/52/93/188125293.db2.gz RWODBOANXALCHA-UHFFFAOYSA-N 2 0 234.387 3.026 10 0 BGAERP CCC[N@H+](CCCCC[NH3+])Cc1ccccc1 ZINC000049580722 169153388 /nfs/dbraw/zinc/15/33/88/169153388.db2.gz PMCPJWUJOFUDLA-UHFFFAOYSA-N 2 0 234.387 3.028 10 0 BGAERP CC[C@@H]1CC[N@H+](CCC2CCCCC2)CC[NH2+]1 ZINC000049662264 171011631 /nfs/dbraw/zinc/01/16/31/171011631.db2.gz PCCZZEUFAKPORF-OAHLLOKOSA-N 2 0 238.419 3.031 10 0 BGAERP CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)CC[NH2+]1 ZINC000049662549 171014924 /nfs/dbraw/zinc/01/49/24/171014924.db2.gz DJBQPEFEDRGREC-LSDHHAIUSA-N 2 0 246.398 3.130 10 0 BGAERP CC[C@@H]1CC[N@@H+]([C@@H](C)CCCC(C)C)CC[NH2+]1 ZINC000049662648 171014137 /nfs/dbraw/zinc/01/41/37/171014137.db2.gz NQJYCFATDKEDAR-LSDHHAIUSA-N 2 0 240.435 3.275 10 0 BGAERP CC[C@@H]1CC[N@H+](Cc2ccccc2)CC[C@H](C)[NH2+]1 ZINC000049664192 171011758 /nfs/dbraw/zinc/01/17/58/171011758.db2.gz KYKZVLXSJKPHEJ-GOEBONIOSA-N 2 0 246.398 3.039 10 0 BGAERP CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000049664285 171013344 /nfs/dbraw/zinc/01/33/44/171013344.db2.gz XTGYMRFMQLBEEQ-GOEBONIOSA-N 2 0 246.398 3.212 10 0 BGAERP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049664299 177169569 /nfs/dbraw/zinc/16/95/69/177169569.db2.gz VOZXLWHUJMYLIQ-ZNMIVQPWSA-N 2 0 246.398 3.210 10 0 BGAERP C[C@@H](c1ccccc1)[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049664301 177169887 /nfs/dbraw/zinc/16/98/87/177169887.db2.gz VOZXLWHUJMYLIQ-KKUMJFAQSA-N 2 0 246.398 3.210 10 0 BGAERP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000049664302 176021748 /nfs/dbraw/zinc/02/17/48/176021748.db2.gz VOZXLWHUJMYLIQ-KFWWJZLASA-N 2 0 246.398 3.210 10 0 BGAERP CC[C@@H]1CC[N@@H+](C(C)(C)CC)CC[C@H](C)[NH2+]1 ZINC000049664983 171008648 /nfs/dbraw/zinc/00/86/48/171008648.db2.gz UAAOYTPKNBUADL-QWHCGFSZSA-N 2 0 226.408 3.028 10 0 BGAERP CC[C@@H]1CC[N@@H+](C2CCCCC2)CC[C@H](C)[NH2+]1 ZINC000049665015 171007984 /nfs/dbraw/zinc/00/79/84/171007984.db2.gz HOLRJJXJDXEPRI-UONOGXRCSA-N 2 0 238.419 3.172 10 0 BGAERP CC[C@@H]1CC[N@@H+](C2CCCCC2)C[C@H](C)C[NH2+]1 ZINC000049665019 171009655 /nfs/dbraw/zinc/00/96/55/171009655.db2.gz LKXYOTSIAOEJCY-ZIAGYGMSSA-N 2 0 238.419 3.029 10 0 BGAERP CC[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000049665274 171015117 /nfs/dbraw/zinc/01/51/17/171015117.db2.gz VARUUGZJOCHWKX-RRFJBIMHSA-N 2 0 238.419 3.029 10 0 BGAERP C[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049665290 177170437 /nfs/dbraw/zinc/17/04/37/177170437.db2.gz FIVPGTMIQRAFKO-KBXIAJHMSA-N 2 0 238.419 3.028 10 0 BGAERP C[C@H]1CCCC[C@@H]1[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049665292 177169703 /nfs/dbraw/zinc/16/97/03/177169703.db2.gz FIVPGTMIQRAFKO-XQLPTFJDSA-N 2 0 238.419 3.028 10 0 BGAERP C[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049665293 177169868 /nfs/dbraw/zinc/16/98/68/177169868.db2.gz FIVPGTMIQRAFKO-APIJFGDWSA-N 2 0 238.419 3.028 10 0 BGAERP C[C@H]1CCCC[C@H]1[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049665295 177170664 /nfs/dbraw/zinc/17/06/64/177170664.db2.gz FIVPGTMIQRAFKO-BYNSBNAKSA-N 2 0 238.419 3.028 10 0 BGAERP CC[C@@H]1CC[N@@H+](C2CCC(C)CC2)CCC[NH2+]1 ZINC000049665426 171009072 /nfs/dbraw/zinc/00/90/72/171009072.db2.gz KVCJJHGCXFDEKC-SHARSMKWSA-N 2 0 238.419 3.029 10 0 BGAERP CC1CCC([N@H+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)CC1 ZINC000049665435 168160097 /nfs/dbraw/zinc/16/00/97/168160097.db2.gz DDOIYVNGSIZCPK-HFDVOGEKSA-N 2 0 238.419 3.028 10 0 BGAERP CC1CCC([NH+]2CC[C@@H](C)[NH2+][C@H](C)CC2)CC1 ZINC000049665436 168160538 /nfs/dbraw/zinc/16/05/38/168160538.db2.gz DDOIYVNGSIZCPK-PIOWNMBXSA-N 2 0 238.419 3.028 10 0 BGAERP CC1CCC([NH+]2CC[C@H](C)[NH2+][C@@H](C)CC2)CC1 ZINC000049665438 168159843 /nfs/dbraw/zinc/15/98/43/168159843.db2.gz DDOIYVNGSIZCPK-GQKFXUNGSA-N 2 0 238.419 3.028 10 0 BGAERP CC[C@@H]1CC[N@@H+](C2CCCCCC2)CCC[NH2+]1 ZINC000049665823 171008413 /nfs/dbraw/zinc/00/84/13/171008413.db2.gz SBADZXPZEAJDBE-CQSZACIVSA-N 2 0 238.419 3.173 10 0 BGAERP C[C@@H]1CC[N@H+](C2CCCCCC2)CC[C@H](C)[NH2+]1 ZINC000049665836 177157540 /nfs/dbraw/zinc/15/75/40/177157540.db2.gz LBTVNSALHAPGPS-OKILXGFUSA-N 2 0 238.419 3.172 10 0 BGAERP C[C@H]1CC[NH+](C2CCCCCC2)CC[C@H](C)[NH2+]1 ZINC000049665837 177157829 /nfs/dbraw/zinc/15/78/29/177157829.db2.gz LBTVNSALHAPGPS-KBPBESRZSA-N 2 0 238.419 3.172 10 0 BGAERP C[C@@H]1CC[NH+](C2CCCCCC2)CC[C@@H](C)[NH2+]1 ZINC000049665839 176166155 /nfs/dbraw/zinc/16/61/55/176166155.db2.gz LBTVNSALHAPGPS-ZIAGYGMSSA-N 2 0 238.419 3.172 10 0 BGAERP CC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000049665878 171013842 /nfs/dbraw/zinc/01/38/42/171013842.db2.gz ADEGGXMSDNPISQ-RRFJBIMHSA-N 2 0 238.419 3.029 10 0 BGAERP C[C@@H]1CCC[C@H]([N@H+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)C1 ZINC000049665893 177169810 /nfs/dbraw/zinc/16/98/10/177169810.db2.gz BVSLZSVMWLMADD-KBXIAJHMSA-N 2 0 238.419 3.028 10 0 BGAERP C[C@H]1CCC[C@H]([N@H+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)C1 ZINC000049665895 177135057 /nfs/dbraw/zinc/13/50/57/177135057.db2.gz BVSLZSVMWLMADD-XQLPTFJDSA-N 2 0 238.419 3.028 10 0 BGAERP C[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)C1 ZINC000049665896 177169742 /nfs/dbraw/zinc/16/97/42/177169742.db2.gz BVSLZSVMWLMADD-APIJFGDWSA-N 2 0 238.419 3.028 10 0 BGAERP C[C@H]1CCC[C@@H]([N@H+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)C1 ZINC000049665898 177121701 /nfs/dbraw/zinc/12/17/01/177121701.db2.gz BVSLZSVMWLMADD-BYNSBNAKSA-N 2 0 238.419 3.028 10 0 BGAERP CC[C@@H]1CC[N@H+](CC2CCCC2)CC[C@H](C)[NH2+]1 ZINC000049666005 171009727 /nfs/dbraw/zinc/00/97/27/171009727.db2.gz KBXBATXZMUOGPF-DZGCQCFKSA-N 2 0 238.419 3.029 10 0 BGAERP CC[C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)CC[C@H](C)[NH2+]1 ZINC000049666035 171014277 /nfs/dbraw/zinc/01/42/77/171014277.db2.gz FXHFTRAIPPQWDT-SOUVJXGZSA-N 2 0 240.435 3.274 10 0 BGAERP CC[C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)C[C@H](C)C[NH2+]1 ZINC000049666038 171014295 /nfs/dbraw/zinc/01/42/95/171014295.db2.gz LVQZIWLFADKTSK-QLFBSQMISA-N 2 0 240.435 3.131 10 0 BGAERP CC[C@@H]1CC[N@H+](CC2CCCCC2)CCC[NH2+]1 ZINC000049666058 171009210 /nfs/dbraw/zinc/00/92/10/171009210.db2.gz ZGYLWVBYOMDBOU-OAHLLOKOSA-N 2 0 238.419 3.031 10 0 BGAERP C[C@@H]1CC[N@@H+](CC2CCCCC2)CC[C@H](C)[NH2+]1 ZINC000049666070 177158822 /nfs/dbraw/zinc/15/88/22/177158822.db2.gz KUBNHYADXXSTGF-OKILXGFUSA-N 2 0 238.419 3.029 10 0 BGAERP C[C@H]1CC[NH+](CC2CCCCC2)CC[C@H](C)[NH2+]1 ZINC000049666072 177158916 /nfs/dbraw/zinc/15/89/16/177158916.db2.gz KUBNHYADXXSTGF-KBPBESRZSA-N 2 0 238.419 3.029 10 0 BGAERP C[C@@H]1CC[NH+](CC2CCCCC2)CC[C@@H](C)[NH2+]1 ZINC000049666073 176167795 /nfs/dbraw/zinc/16/77/95/176167795.db2.gz KUBNHYADXXSTGF-ZIAGYGMSSA-N 2 0 238.419 3.029 10 0 BGAERP CC[C@@H]1CC[N@H+](CCC2CCCC2)CCC[NH2+]1 ZINC000049666878 171009818 /nfs/dbraw/zinc/00/98/18/171009818.db2.gz UDAGCILEMBDTEG-OAHLLOKOSA-N 2 0 238.419 3.031 10 0 BGAERP C[C@@H]1CC[N@@H+](CCC2CCCC2)CC[C@H](C)[NH2+]1 ZINC000049666890 177158962 /nfs/dbraw/zinc/15/89/62/177158962.db2.gz JVXXBGVFBSIVKV-OKILXGFUSA-N 2 0 238.419 3.029 10 0 BGAERP C[C@H]1CC[NH+](CCC2CCCC2)CC[C@H](C)[NH2+]1 ZINC000049666892 177158679 /nfs/dbraw/zinc/15/86/79/177158679.db2.gz JVXXBGVFBSIVKV-KBPBESRZSA-N 2 0 238.419 3.029 10 0 BGAERP C[C@@H]1CC[NH+](CCC2CCCC2)CC[C@@H](C)[NH2+]1 ZINC000049666894 176168133 /nfs/dbraw/zinc/16/81/33/176168133.db2.gz JVXXBGVFBSIVKV-ZIAGYGMSSA-N 2 0 238.419 3.029 10 0 BGAERP CC[C@H](C)[C@H](C)[N@@H+]1CC[C@@H](CC)[NH2+]C[C@@H](C)C1 ZINC000049667232 171386206 /nfs/dbraw/zinc/38/62/06/171386206.db2.gz NMJZUUVEMRRMFD-CBBWQLFWSA-N 2 0 240.435 3.131 10 0 BGAERP CCC[N@H+](CC)[C@@H](CN)c1cc(C)ccc1C ZINC000049670409 169131288 /nfs/dbraw/zinc/13/12/88/169131288.db2.gz XSRLRYPEMUEIGS-HNNXBMFYSA-N 2 0 234.387 3.035 10 0 BGAERP CCC[N@H+](CC)[C@H](CN)c1cc(C)ccc1C ZINC000049670410 169132764 /nfs/dbraw/zinc/13/27/64/169132764.db2.gz XSRLRYPEMUEIGS-OAHLLOKOSA-N 2 0 234.387 3.035 10 0 BGAERP CC[C@H](C)[N@H+](C)[C@@H](CN)c1cc(C)ccc1C ZINC000049670420 171309175 /nfs/dbraw/zinc/30/91/75/171309175.db2.gz KVMYJNSOIGYOQZ-ZFWWWQNUSA-N 2 0 234.387 3.034 10 0 BGAERP C[NH2+][C@@H]1CC[N@@H+](C2CCCCCCC2)[C@H](C)C1 ZINC000049707703 188125740 /nfs/dbraw/zinc/12/57/40/188125740.db2.gz FKZPSEVTKVQXLE-ZIAGYGMSSA-N 2 0 238.419 3.172 10 0 BGAERP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C[C@@H]1C ZINC000049708463 170151284 /nfs/dbraw/zinc/15/12/84/170151284.db2.gz UBQLNZFNVNECDW-OFQRWUPVSA-N 2 0 246.398 3.068 10 0 BGAERP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C[C@@H]1C ZINC000049708465 170168303 /nfs/dbraw/zinc/16/83/03/170168303.db2.gz UBQLNZFNVNECDW-DZKIICNBSA-N 2 0 246.398 3.068 10 0 BGAERP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000049708483 170152236 /nfs/dbraw/zinc/15/22/36/170152236.db2.gz IZGGPAPMPYZYPO-IJEWVQPXSA-N 2 0 246.398 3.210 10 0 BGAERP CCC[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C[C@@H]1C ZINC000049709174 169282405 /nfs/dbraw/zinc/28/24/05/169282405.db2.gz NVTBPIKCNZSPSM-DZGCQCFKSA-N 2 0 238.419 3.029 10 0 BGAERP CCC[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C[C@@H]1C ZINC000049709176 169291975 /nfs/dbraw/zinc/29/19/75/169291975.db2.gz NVTBPIKCNZSPSM-ZFWWWQNUSA-N 2 0 238.419 3.029 10 0 BGAERP CCC[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709198 169281608 /nfs/dbraw/zinc/28/16/08/169281608.db2.gz SEXWVTQUSYBPGS-ZIAGYGMSSA-N 2 0 238.419 3.172 10 0 BGAERP CCC[NH2+][C@H]1CC[N@@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709201 169292046 /nfs/dbraw/zinc/29/20/46/169292046.db2.gz SEXWVTQUSYBPGS-KGLIPLIRSA-N 2 0 238.419 3.172 10 0 BGAERP CC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000049709521 170152959 /nfs/dbraw/zinc/15/29/59/170152959.db2.gz UNOCLDSRPRPTGP-GBJTYRQASA-N 2 0 238.419 3.028 10 0 BGAERP CC[NH2+][C@@H]1CC[N@@H+](C2CCC(C)CC2)[C@H](C)C1 ZINC000049709763 170151675 /nfs/dbraw/zinc/15/16/75/170151675.db2.gz ABXMVLPNGLJFJP-PIOWNMBXSA-N 2 0 238.419 3.028 10 0 BGAERP CC[NH2+][C@H]1CC[N@@H+](C2CCC(C)CC2)[C@H](C)C1 ZINC000049709765 170166527 /nfs/dbraw/zinc/16/65/27/170166527.db2.gz ABXMVLPNGLJFJP-FUUBYGMNSA-N 2 0 238.419 3.028 10 0 BGAERP CC[NH2+][C@@H]1CC[N@@H+](C2CCCCCC2)C[C@@H]1C ZINC000049710511 170152153 /nfs/dbraw/zinc/15/21/53/170152153.db2.gz BYLPBOHSLABYLG-DZGCQCFKSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@H]1CC[N@@H+](C2CCCCCC2)C[C@@H]1C ZINC000049710513 170167017 /nfs/dbraw/zinc/16/70/17/170167017.db2.gz BYLPBOHSLABYLG-ZFWWWQNUSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@@H]1CC[N@@H+](C2CCCCCC2)[C@H](C)C1 ZINC000049710542 170152322 /nfs/dbraw/zinc/15/23/22/170152322.db2.gz WRJHMORTMOFYRZ-ZIAGYGMSSA-N 2 0 238.419 3.172 10 0 BGAERP CC[NH2+][C@H]1CC[N@@H+](C2CCCCCC2)[C@H](C)C1 ZINC000049710545 170167218 /nfs/dbraw/zinc/16/72/18/170167218.db2.gz WRJHMORTMOFYRZ-KGLIPLIRSA-N 2 0 238.419 3.172 10 0 BGAERP CC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000049710653 170152811 /nfs/dbraw/zinc/15/28/11/170152811.db2.gz DWRJSADSHCOEEL-GBJTYRQASA-N 2 0 238.419 3.028 10 0 BGAERP CCC[NH2+][C@@H]1CC[N@H+](CC2CCCC2)[C@H](C)C1 ZINC000049710699 169281919 /nfs/dbraw/zinc/28/19/19/169281919.db2.gz PGWCRFMSKLTWEN-UKRRQHHQSA-N 2 0 238.419 3.029 10 0 BGAERP CCC[NH2+][C@H]1CC[N@H+](CC2CCCC2)[C@H](C)C1 ZINC000049710701 169291883 /nfs/dbraw/zinc/29/18/83/169291883.db2.gz PGWCRFMSKLTWEN-HIFRSBDPSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@@H]1CC[N@H+](CC2CCCCC2)[C@H](C)C1 ZINC000049710749 170151469 /nfs/dbraw/zinc/15/14/69/170151469.db2.gz YTMNMVWGZVQINZ-UKRRQHHQSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@H]1CC[N@H+](CC2CCCCC2)[C@H](C)C1 ZINC000049710751 170166858 /nfs/dbraw/zinc/16/68/58/170166858.db2.gz YTMNMVWGZVQINZ-HIFRSBDPSA-N 2 0 238.419 3.029 10 0 BGAERP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)C[C@@H]1C ZINC000049710769 169283317 /nfs/dbraw/zinc/28/33/17/169283317.db2.gz KEPQRKTXDGRTGQ-SOUVJXGZSA-N 2 0 240.435 3.131 10 0 BGAERP CCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)CC(C)C)C[C@@H]1C ZINC000049710771 169291813 /nfs/dbraw/zinc/29/18/13/169291813.db2.gz KEPQRKTXDGRTGQ-KKUMJFAQSA-N 2 0 240.435 3.131 10 0 BGAERP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)CC(C)C)[C@H](C)C1 ZINC000049710794 169282728 /nfs/dbraw/zinc/28/27/28/169282728.db2.gz KFESKUUGJWAXPB-RRFJBIMHSA-N 2 0 240.435 3.274 10 0 BGAERP CC[NH2+][C@@H]1CC[N@H+](CCC2CCCC2)[C@H](C)C1 ZINC000049713051 170152293 /nfs/dbraw/zinc/15/22/93/170152293.db2.gz AHACRVISJHBVQZ-UKRRQHHQSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@H]1CC[N@H+](CCC2CCCC2)[C@H](C)C1 ZINC000049713052 170166949 /nfs/dbraw/zinc/16/69/49/170166949.db2.gz AHACRVISJHBVQZ-HIFRSBDPSA-N 2 0 238.419 3.029 10 0 BGAERP C[NH2+][C@@H]1CC[N@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000049713069 188299248 /nfs/dbraw/zinc/29/92/48/188299248.db2.gz BDVNBUQPHMOALV-UKRRQHHQSA-N 2 0 238.419 3.029 10 0 BGAERP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)[C@@H](C)CC)C[C@@H]1C ZINC000049713305 169283149 /nfs/dbraw/zinc/28/31/49/169283149.db2.gz PEMMYBMXWYNJRS-ZQDZILKHSA-N 2 0 240.435 3.131 10 0 BGAERP CCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)[C@@H](C)CC)C[C@@H]1C ZINC000049713306 169291702 /nfs/dbraw/zinc/29/17/02/169291702.db2.gz PEMMYBMXWYNJRS-AJNGGQMLSA-N 2 0 240.435 3.131 10 0 BGAERP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](CC)C(C)C)C[C@@H]1C ZINC000049713465 169282736 /nfs/dbraw/zinc/28/27/36/169282736.db2.gz SWTJBKBYZQLOTI-ZNMIVQPWSA-N 2 0 240.435 3.131 10 0 BGAERP CCC[NH2+][C@H]1CC[N@@H+]([C@@H](CC)C(C)C)C[C@@H]1C ZINC000049713466 169291965 /nfs/dbraw/zinc/29/19/65/169291965.db2.gz SWTJBKBYZQLOTI-KKUMJFAQSA-N 2 0 240.435 3.131 10 0 BGAERP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](CC)C(C)C)[C@H](C)C1 ZINC000049713475 169283226 /nfs/dbraw/zinc/28/32/26/169283226.db2.gz VVKUIKNBUBPZGK-KFWWJZLASA-N 2 0 240.435 3.274 10 0 BGAERP C[C@@H](c1cccs1)N(C)CC1([NH3+])CCCC1 ZINC000049717038 176032873 /nfs/dbraw/zinc/03/28/73/176032873.db2.gz MIOJFXCCLKVHSQ-NSHDSACASA-N 2 0 238.400 3.012 10 0 BGAERP C[C@H](c1cccs1)N(C)CC1([NH3+])CCCC1 ZINC000049717039 177048424 /nfs/dbraw/zinc/04/84/24/177048424.db2.gz MIOJFXCCLKVHSQ-LLVKDONJSA-N 2 0 238.400 3.012 10 0 BGAERP C[C@@H](c1cccs1)N(C)C1(C[NH3+])CCCC1 ZINC000049726267 176033492 /nfs/dbraw/zinc/03/34/92/176033492.db2.gz MRDZGAXZZHLHNQ-NSHDSACASA-N 2 0 238.400 3.012 10 0 BGAERP C[C@H](c1cccs1)N(C)C1(C[NH3+])CCCC1 ZINC000049726269 177048758 /nfs/dbraw/zinc/04/87/58/177048758.db2.gz MRDZGAXZZHLHNQ-LLVKDONJSA-N 2 0 238.400 3.012 10 0 BGAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C1CCCCCC1 ZINC000049773339 173006136 /nfs/dbraw/zinc/00/61/36/173006136.db2.gz WLTHPVROIDEIPA-OAHLLOKOSA-N 2 0 238.419 3.173 10 0 BGAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]C1CCCCCC1 ZINC000049773340 173007005 /nfs/dbraw/zinc/00/70/05/173007005.db2.gz WLTHPVROIDEIPA-HNNXBMFYSA-N 2 0 238.419 3.173 10 0 BGAERP CCC[N@H+](CC(C)C)C1(CN)CCCCCC1 ZINC000050090107 169106075 /nfs/dbraw/zinc/10/60/75/169106075.db2.gz VHBAMRYLKCXHHA-UHFFFAOYSA-N 2 0 240.435 3.406 10 0 BGAERP CCC[NH2+]CCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000050347836 169257391 /nfs/dbraw/zinc/25/73/91/169257391.db2.gz ROJDPPJQKQZLPB-UHFFFAOYSA-N 2 0 240.435 3.134 10 0 BGAERP CC[C@H](C)C[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000050424167 171278840 /nfs/dbraw/zinc/27/88/40/171278840.db2.gz SCXJNZIBNLLORD-AWEZNQCLSA-N 2 0 240.435 3.406 10 0 BGAERP CC[NH2+][C@H](C)CCCC[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050564265 170156887 /nfs/dbraw/zinc/15/68/87/170156887.db2.gz TTZBESYWNRDZDB-ZNMIVQPWSA-N 2 0 240.435 3.275 10 0 BGAERP CCCC[C@H](C)[NH2+]C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000050889942 168989444 /nfs/dbraw/zinc/98/94/44/168989444.db2.gz CCAMYNVHGMXSTO-AJNGGQMLSA-N 2 0 238.419 3.075 10 0 BGAERP CCCC1CC[NH+](CCC[C@@H](C)[NH2+]CC)CC1 ZINC000050893409 168607940 /nfs/dbraw/zinc/60/79/40/168607940.db2.gz IWAPAOJUYYGRDA-CQSZACIVSA-N 2 0 240.435 3.277 10 0 BGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050952465 177115935 /nfs/dbraw/zinc/11/59/35/177115935.db2.gz NFJQXXIFZKQMKE-ZNMIVQPWSA-N 2 0 238.419 3.172 10 0 BGAERP C[C@H]1CCC[C@H](C)[NH+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050952467 177131427 /nfs/dbraw/zinc/13/14/27/177131427.db2.gz NFJQXXIFZKQMKE-KKUMJFAQSA-N 2 0 238.419 3.172 10 0 BGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050952468 176115619 /nfs/dbraw/zinc/11/56/19/176115619.db2.gz NFJQXXIFZKQMKE-KFWWJZLASA-N 2 0 238.419 3.172 10 0 BGAERP CC1([NH2+]CCC[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000050954067 168062216 /nfs/dbraw/zinc/06/22/16/168062216.db2.gz AWTFSBOHPXMLCA-AWEZNQCLSA-N 2 0 238.419 3.221 10 0 BGAERP CC1([NH2+]CCC[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000050954070 168062347 /nfs/dbraw/zinc/06/23/47/168062347.db2.gz AWTFSBOHPXMLCA-CQSZACIVSA-N 2 0 238.419 3.221 10 0 BGAERP C[C@@H]1CCC[N@H+](CCC[C@@H]2CCCC[NH2+]2)[C@@H]1C ZINC000050954345 176098050 /nfs/dbraw/zinc/09/80/50/176098050.db2.gz ZVQVZVZAPBXNLY-KFWWJZLASA-N 2 0 238.419 3.029 10 0 BGAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050954350 177097647 /nfs/dbraw/zinc/09/76/47/177097647.db2.gz ZVQVZVZAPBXNLY-ZNMIVQPWSA-N 2 0 238.419 3.029 10 0 BGAERP CCC[NH2+]C[C@](C)(CCC)C[N@@H+]1CCC[C@@H]1C ZINC000051205529 169264554 /nfs/dbraw/zinc/26/45/54/169264554.db2.gz VHIDKQUUOCUERC-GJZGRUSLSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+]C[C@@](C)(CCC)C[N@@H+]1CCC[C@@H]1C ZINC000051205532 169263971 /nfs/dbraw/zinc/26/39/71/169263971.db2.gz VHIDKQUUOCUERC-LSDHHAIUSA-N 2 0 240.435 3.277 10 0 BGAERP CCC(CC)(C[NH2+]C(C)C)C[N@@H+]1CCC[C@@H]1C ZINC000051205688 168325399 /nfs/dbraw/zinc/32/53/99/168325399.db2.gz QMQSOKITCXSSGN-AWEZNQCLSA-N 2 0 240.435 3.275 10 0 BGAERP CCC(CC)(C[NH2+]C(C)C)C[N@@H+]1CCC[C@H]1C ZINC000051205689 168325899 /nfs/dbraw/zinc/32/58/99/168325899.db2.gz QMQSOKITCXSSGN-CQSZACIVSA-N 2 0 240.435 3.275 10 0 BGAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC000051205713 170111269 /nfs/dbraw/zinc/11/12/69/170111269.db2.gz AEBQZVYYBNVMCT-AWEZNQCLSA-N 2 0 238.419 3.031 10 0 BGAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC000051205716 170110452 /nfs/dbraw/zinc/11/04/52/170110452.db2.gz AEBQZVYYBNVMCT-CQSZACIVSA-N 2 0 238.419 3.031 10 0 BGAERP CC1CC[NH+](CC(C)(C)C[NH2+]C(C)(C)C)CC1 ZINC000051207857 168179217 /nfs/dbraw/zinc/17/92/17/168179217.db2.gz VDGUURWVCYLXCY-UHFFFAOYSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[C@](C)(C[NH2+]CC(C)C)C[NH+]1CCCC1 ZINC000051208014 169544169 /nfs/dbraw/zinc/54/41/69/169544169.db2.gz BAULNAPLVCVTDB-OAHLLOKOSA-N 2 0 240.435 3.134 10 0 BGAERP CCC(CC)(C[NH2+]CC(C)C)C[NH+]1CCCC1 ZINC000051208088 168325481 /nfs/dbraw/zinc/32/54/81/168325481.db2.gz VCHYYYBQJVWNNB-UHFFFAOYSA-N 2 0 240.435 3.134 10 0 BGAERP CC[NH2+]CC(CC)(CC)C[N@@H+]1CCCC[C@@H]1C ZINC000051208883 170110354 /nfs/dbraw/zinc/11/03/54/170110354.db2.gz RRSKVCYUMKLUID-AWEZNQCLSA-N 2 0 240.435 3.277 10 0 BGAERP CC[NH2+]CC(CC)(CC)C[N@@H+]1CCCC[C@H]1C ZINC000051208887 170110531 /nfs/dbraw/zinc/11/05/31/170110531.db2.gz RRSKVCYUMKLUID-CQSZACIVSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+]C[C@@](C)(CC)C[N@@H+]1CCCC[C@@H]1C ZINC000051209018 169263531 /nfs/dbraw/zinc/26/35/31/169263531.db2.gz GVOYMIBFABSTAQ-LSDHHAIUSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+]C[C@](C)(CC)C[N@@H+]1CCCC[C@@H]1C ZINC000051209021 169264732 /nfs/dbraw/zinc/26/47/32/169264732.db2.gz GVOYMIBFABSTAQ-GJZGRUSLSA-N 2 0 240.435 3.277 10 0 BGAERP CC[NH2+]CC(CC)(CC)C[N@@H+]1CCC[C@H](C)C1 ZINC000051210196 170110681 /nfs/dbraw/zinc/11/06/81/170110681.db2.gz XWTJJCGDYQCZHM-AWEZNQCLSA-N 2 0 240.435 3.134 10 0 BGAERP CC[NH2+]CC(CC)(CC)C[N@@H+]1CCC[C@@H](C)C1 ZINC000051210200 170110512 /nfs/dbraw/zinc/11/05/12/170110512.db2.gz XWTJJCGDYQCZHM-CQSZACIVSA-N 2 0 240.435 3.134 10 0 BGAERP CCC[NH2+]C[C@@](C)(CC)C[N@@H+]1CCC[C@H](C)C1 ZINC000051210301 169263511 /nfs/dbraw/zinc/26/35/11/169263511.db2.gz QAHBUYZAMUZCKS-LSDHHAIUSA-N 2 0 240.435 3.134 10 0 BGAERP CCC[NH2+]C[C@](C)(CC)C[N@@H+]1CCC[C@H](C)C1 ZINC000051210303 169264432 /nfs/dbraw/zinc/26/44/32/169264432.db2.gz QAHBUYZAMUZCKS-GJZGRUSLSA-N 2 0 240.435 3.134 10 0 BGAERP CC(C)C[NH2+]CC1(C[N@H+](C)C(C)C)CCCC1 ZINC000051210881 167003880 /nfs/dbraw/zinc/00/38/80/167003880.db2.gz BKYBVTOUHLRYGJ-UHFFFAOYSA-N 2 0 240.435 3.133 10 0 BGAERP CC(C)[NH2+]CC1(C[N@H+](C)C(C)C)CCCCC1 ZINC000051210940 167100685 /nfs/dbraw/zinc/10/06/85/167100685.db2.gz MYNZGDVXAQUVJF-UHFFFAOYSA-N 2 0 240.435 3.275 10 0 BGAERP CCC[NH2+]C[C@](C)(CCC)C[NH+]1CCCCC1 ZINC000051211032 169264827 /nfs/dbraw/zinc/26/48/27/169264827.db2.gz FBFAMDVWLXYTGD-HNNXBMFYSA-N 2 0 240.435 3.278 10 0 BGAERP CCC[NH2+]C[C@@](C)(CCC)C[NH+]1CCCCC1 ZINC000051211034 169263083 /nfs/dbraw/zinc/26/30/83/169263083.db2.gz FBFAMDVWLXYTGD-OAHLLOKOSA-N 2 0 240.435 3.278 10 0 BGAERP CC[C@@](C)(C[NH2+]C(C)(C)C)C[NH+]1CCCCC1 ZINC000051211200 171167073 /nfs/dbraw/zinc/16/70/73/171167073.db2.gz MFHTVYQCEKLOSI-HNNXBMFYSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH+](CCC)CC1(C[NH2+]CC)CCCC1 ZINC000051211223 169147839 /nfs/dbraw/zinc/14/78/39/169147839.db2.gz RVANIASYBWJLPV-UHFFFAOYSA-N 2 0 240.435 3.278 10 0 BGAERP CCC[NH+](CCC)C[C@@](C)(CC)C[NH2+]C1CC1 ZINC000051211337 169149733 /nfs/dbraw/zinc/14/97/33/169149733.db2.gz BDYGUJFHLGELPO-HNNXBMFYSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH+](CCC)C[C@](C)(CC)C[NH2+]C1CC1 ZINC000051211339 169149162 /nfs/dbraw/zinc/14/91/62/169149162.db2.gz BDYGUJFHLGELPO-OAHLLOKOSA-N 2 0 240.435 3.277 10 0 BGAERP CC[C@@](C)(C[NH3+])C[N@H+](Cc1ccccc1)C(C)C ZINC000051211964 171166827 /nfs/dbraw/zinc/16/68/27/171166827.db2.gz GAUWYIUAXWXHRE-INIZCTEOSA-N 2 0 248.414 3.272 10 0 BGAERP CCC[C@](C)(C[NH2+]C)C[NH+]1CCCCCCC1 ZINC000051213943 169544143 /nfs/dbraw/zinc/54/41/43/169544143.db2.gz QQAOZFAHJQSRDI-OAHLLOKOSA-N 2 0 240.435 3.278 10 0 BGAERP CC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccc(C)cc1 ZINC000051214093 170110398 /nfs/dbraw/zinc/11/03/98/170110398.db2.gz WUHWLNGHRXSDHJ-UHFFFAOYSA-N 2 0 248.414 3.063 10 0 BGAERP CC[C@H](C)[N@H+](C)CC1(C[NH2+]C(C)C)CCCC1 ZINC000051214661 171305013 /nfs/dbraw/zinc/30/50/13/171305013.db2.gz SDBISCXOKPKCNU-AWEZNQCLSA-N 2 0 240.435 3.275 10 0 BGAERP CCC[NH2+]CC1(C[N@H+](CC)CCC)CCCC1 ZINC000051214780 169257444 /nfs/dbraw/zinc/25/74/44/169257444.db2.gz DHZVUZBADFPUJN-UHFFFAOYSA-N 2 0 240.435 3.278 10 0 BGAERP CCC[N@H+](CC)CC(CC)(CC)C[NH2+]C1CC1 ZINC000051214808 169121466 /nfs/dbraw/zinc/12/14/66/169121466.db2.gz VSSDRXNCMUWJDK-UHFFFAOYSA-N 2 0 240.435 3.277 10 0 BGAERP CC(C)[NH2+]CC1(C[N@H+](C)C2CC2)CCCCC1 ZINC000051215170 167099498 /nfs/dbraw/zinc/09/94/98/167099498.db2.gz DQFSCMGGPOKXBY-UHFFFAOYSA-N 2 0 238.419 3.029 10 0 BGAERP CCC[NH2+]CC(C)(C)C[N@@H+]1CCCC[C@@H]1CC ZINC000051215244 169255980 /nfs/dbraw/zinc/25/59/80/169255980.db2.gz PAONZJDMLMRQMA-AWEZNQCLSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+]CC(C)(C)C[N@@H+]1CCCC[C@H]1CC ZINC000051215245 169255463 /nfs/dbraw/zinc/25/54/63/169255463.db2.gz PAONZJDMLMRQMA-CQSZACIVSA-N 2 0 240.435 3.277 10 0 BGAERP CC[NH2+]CC1(C[N@H+](CC)C(C)C)CCCCC1 ZINC000051215344 170110207 /nfs/dbraw/zinc/11/02/07/170110207.db2.gz RIHIHHIBTNZSQF-UHFFFAOYSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCCC1 ZINC000051215410 169075845 /nfs/dbraw/zinc/07/58/45/169075845.db2.gz ZDFFAPCUSROJNT-UHFFFAOYSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+]CC1(C[N@H+](C)CCC)CCCCC1 ZINC000051215439 169257373 /nfs/dbraw/zinc/25/73/73/169257373.db2.gz ZKWWFQJRTRORDS-UHFFFAOYSA-N 2 0 240.435 3.278 10 0 BGAERP CC[C@@](C)(C[NH2+]C(C)C)C[N@H+](C)C1CCCC1 ZINC000051215567 171167214 /nfs/dbraw/zinc/16/72/14/171167214.db2.gz SLKSCGGYFFISSH-HNNXBMFYSA-N 2 0 240.435 3.275 10 0 BGAERP CCC[NH2+]C[C@](C)(CCC)C[N@H+](C)CC(C)C ZINC000051215579 169264706 /nfs/dbraw/zinc/26/47/06/169264706.db2.gz QBYAHRAGJKWEEZ-HNNXBMFYSA-N 2 0 242.451 3.380 10 0 BGAERP CCC[NH2+]C[C@@](C)(CCC)C[N@H+](C)CC(C)C ZINC000051215580 169263190 /nfs/dbraw/zinc/26/31/90/169263190.db2.gz QBYAHRAGJKWEEZ-OAHLLOKOSA-N 2 0 242.451 3.380 10 0 BGAERP CCC[NH2+]CC1(C[N@H+](C)CC(C)C)CCCC1 ZINC000051215589 169257680 /nfs/dbraw/zinc/25/76/80/169257680.db2.gz SETLTAZBGVMGLY-UHFFFAOYSA-N 2 0 240.435 3.134 10 0 BGAERP CCC(CC)(C[NH2+]C1CC1)C[N@H+](C)CC(C)C ZINC000051215617 168325194 /nfs/dbraw/zinc/32/51/94/168325194.db2.gz FEXZSIHPSNYSRW-UHFFFAOYSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[N@H+](CC1(C[NH2+]C)CCCCC1)C1CC1 ZINC000051215886 169132993 /nfs/dbraw/zinc/13/29/93/169132993.db2.gz STVVYIZPJGBKLU-UHFFFAOYSA-N 2 0 238.419 3.031 10 0 BGAERP CCC[N@H+](C[C@](C)(CC)C[NH2+]C(C)C)C1CC1 ZINC000051215921 169173141 /nfs/dbraw/zinc/17/31/41/169173141.db2.gz SHGYJGPNVWTZLC-OAHLLOKOSA-N 2 0 240.435 3.275 10 0 BGAERP CC[C@H](C)C[N@H+](C)CC(C)(C)C[NH2+]C(C)(C)C ZINC000051215973 171272254 /nfs/dbraw/zinc/27/22/54/171272254.db2.gz NSSRSFWFYKPVND-ZDUSSCGKSA-N 2 0 242.451 3.379 10 0 BGAERP CC[C@H](C)C[N@H+](C)C[C@@](C)(CC)C[NH2+]C(C)C ZINC000051216019 171272961 /nfs/dbraw/zinc/27/29/61/171272961.db2.gz PQIXDUNLGFYBOY-GJZGRUSLSA-N 2 0 242.451 3.379 10 0 BGAERP CC[NH2+]CC1(C[N@H+](C)[C@@H](C)C(C)C)CCCC1 ZINC000051217314 170110647 /nfs/dbraw/zinc/11/06/47/170110647.db2.gz CPCQKIAAECMOEN-AWEZNQCLSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+]CC1(C[N@H+](C)[C@H](C)C(C)C)CCCC1 ZINC000051217315 170111145 /nfs/dbraw/zinc/11/11/45/170111145.db2.gz CPCQKIAAECMOEN-CQSZACIVSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+]CC(CC)(CC)C[N@H+](C)[C@@H](C)C(C)C ZINC000051217356 170110861 /nfs/dbraw/zinc/11/08/61/170110861.db2.gz VBIRCAOKWARGFC-AWEZNQCLSA-N 2 0 242.451 3.379 10 0 BGAERP CC[NH2+]CC(CC)(CC)C[N@H+](C)[C@H](C)C(C)C ZINC000051217357 170110212 /nfs/dbraw/zinc/11/02/12/170110212.db2.gz VBIRCAOKWARGFC-CQSZACIVSA-N 2 0 242.451 3.379 10 0 BGAERP C[NH2+]CC1(C[N@H+](C)[C@H](C)C(C)C)CCCCC1 ZINC000051217364 173337907 /nfs/dbraw/zinc/33/79/07/173337907.db2.gz YKEAHAHDZGEYNZ-CQSZACIVSA-N 2 0 240.435 3.133 10 0 BGAERP C[NH2+]CC1(C[N@H+](C)[C@@H](C)C(C)C)CCCCC1 ZINC000051217365 173338029 /nfs/dbraw/zinc/33/80/29/173338029.db2.gz YKEAHAHDZGEYNZ-AWEZNQCLSA-N 2 0 240.435 3.133 10 0 BGAERP CC[C@@](C)(C[NH2+]C(C)C)C[N@H+](C)[C@@H](C)C(C)C ZINC000051217402 171166400 /nfs/dbraw/zinc/16/64/00/171166400.db2.gz JRLKHVWERHXITF-GJZGRUSLSA-N 2 0 242.451 3.377 10 0 BGAERP CC[NH2+]CC(CC)(CC)C[N@H+](C)[C@@H](C)C1CC1 ZINC000051217552 170110596 /nfs/dbraw/zinc/11/05/96/170110596.db2.gz SJVJSYQKYWHWSU-ZDUSSCGKSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+]CC(CC)(CC)C[N@H+](C)[C@H](C)C1CC1 ZINC000051217553 170110484 /nfs/dbraw/zinc/11/04/84/170110484.db2.gz SJVJSYQKYWHWSU-CYBMUJFWSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+]C[C@](C)(CC)C[N@@H+]1CCC[C@@H](CC)C1 ZINC000051217772 170123793 /nfs/dbraw/zinc/12/37/93/170123793.db2.gz HNAJLVVOMVWLBS-CABCVRRESA-N 2 0 240.435 3.134 10 0 BGAERP CC[NH2+]C[C@](C)(CC)C[N@@H+]1CCC[C@H](CC)C1 ZINC000051217773 170123374 /nfs/dbraw/zinc/12/33/74/170123374.db2.gz HNAJLVVOMVWLBS-GJZGRUSLSA-N 2 0 240.435 3.134 10 0 BGAERP CCC[C@@H](C)[N@H+](C)CC1(C[NH2+]CC)CCCC1 ZINC000051218066 169364124 /nfs/dbraw/zinc/36/41/24/169364124.db2.gz KENPIRWIJYYNBV-CQSZACIVSA-N 2 0 240.435 3.277 10 0 BGAERP CC[NH2+]CC(C)(C)C[N@H+](C)C1CCCCCC1 ZINC000051248677 170110664 /nfs/dbraw/zinc/11/06/64/170110664.db2.gz MAARZVXQYAZCTR-UHFFFAOYSA-N 2 0 240.435 3.277 10 0 BGAERP C[C@@H]1CCC[N@H+](CC2(C[NH3+])CCCCC2)[C@@H]1C ZINC000051249245 176096234 /nfs/dbraw/zinc/09/62/34/176096234.db2.gz FAANIYGUXZEVET-ZIAGYGMSSA-N 2 0 238.419 3.016 10 0 BGAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1(C[NH3+])CCCCC1 ZINC000051249246 177095842 /nfs/dbraw/zinc/09/58/42/177095842.db2.gz FAANIYGUXZEVET-UONOGXRCSA-N 2 0 238.419 3.016 10 0 BGAERP CC[NH2+]C[C@](C)(CC)C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000051249301 170123229 /nfs/dbraw/zinc/12/32/29/170123229.db2.gz HKRSXVXKWPXEIP-KKUMJFAQSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+]CC(CC)(CC)C[N@@H+]1CC[C@H](C)C1 ZINC000051249992 169257700 /nfs/dbraw/zinc/25/77/00/169257700.db2.gz RXZAZTKDPUMSKQ-AWEZNQCLSA-N 2 0 240.435 3.134 10 0 BGAERP CCC[NH2+]CC(CC)(CC)C[N@@H+]1CC[C@@H](C)C1 ZINC000051249993 169257627 /nfs/dbraw/zinc/25/76/27/169257627.db2.gz RXZAZTKDPUMSKQ-CQSZACIVSA-N 2 0 240.435 3.134 10 0 BGAERP CC[NH2+]CC(C)(C)C[NH+](CC(C)C)CC(C)C ZINC000051250164 170110407 /nfs/dbraw/zinc/11/04/07/170110407.db2.gz SDTBJFABNGRSGL-UHFFFAOYSA-N 2 0 242.451 3.236 10 0 BGAERP CCC[N@H+](CC1CC1)C[C@@](C)(CCC)C[NH2+]C ZINC000051251864 169137487 /nfs/dbraw/zinc/13/74/87/169137487.db2.gz ZNTHFENNBJTTPV-HNNXBMFYSA-N 2 0 240.435 3.134 10 0 BGAERP CCC[N@H+](CC1CC1)C[C@](C)(CCC)C[NH2+]C ZINC000051251865 169138002 /nfs/dbraw/zinc/13/80/02/169138002.db2.gz ZNTHFENNBJTTPV-OAHLLOKOSA-N 2 0 240.435 3.134 10 0 BGAERP CCC[N@H+](CC1CC1)CC(C)(C)C[NH2+]C(C)C ZINC000051251892 169138813 /nfs/dbraw/zinc/13/88/13/169138813.db2.gz BLUQFTVMSHOXJQ-UHFFFAOYSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[N@H+](CC1CC1)CC(CC)(CC)C[NH2+]C ZINC000051251896 169137531 /nfs/dbraw/zinc/13/75/31/169137531.db2.gz DTUQBFFWLORWDT-UHFFFAOYSA-N 2 0 240.435 3.134 10 0 BGAERP CCC[NH2+]CC(C)(C)C[N@H+](CC(C)C)C1CC1 ZINC000051252386 169255993 /nfs/dbraw/zinc/25/59/93/169255993.db2.gz ILBMWGHODMTRFK-UHFFFAOYSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+]C[C@](C)(CC)C[N@H+](CC(C)C)C1CC1 ZINC000051252418 170123624 /nfs/dbraw/zinc/12/36/24/170123624.db2.gz IESSFNGMKIUMAQ-HNNXBMFYSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+]C[C@@](C)(CC)C[N@H+](CC(C)C)C1CC1 ZINC000051252419 170120839 /nfs/dbraw/zinc/12/08/39/170120839.db2.gz IESSFNGMKIUMAQ-OAHLLOKOSA-N 2 0 240.435 3.133 10 0 BGAERP CCC(CC)(C[NH3+])C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000051256050 168322287 /nfs/dbraw/zinc/32/22/87/168322287.db2.gz XTUVCTNSNCHVBC-UONOGXRCSA-N 2 0 240.435 3.262 10 0 BGAERP CCC(CC)(C[NH3+])C[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000051256052 168322841 /nfs/dbraw/zinc/32/28/41/168322841.db2.gz XTUVCTNSNCHVBC-KBPBESRZSA-N 2 0 240.435 3.262 10 0 BGAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)CC1(C[NH3+])CCCC1 ZINC000051256082 176078745 /nfs/dbraw/zinc/07/87/45/176078745.db2.gz LPUYOKZPIOWBPJ-KGLIPLIRSA-N 2 0 238.419 3.016 10 0 BGAERP C[C@H]1CCCC[C@@H]1[N@H+](C)CC1(C[NH3+])CCCC1 ZINC000051256083 177080818 /nfs/dbraw/zinc/08/08/18/177080818.db2.gz LPUYOKZPIOWBPJ-KBPBESRZSA-N 2 0 238.419 3.016 10 0 BGAERP C[C@@H]1CCCC[C@H]1[N@H+](C)CC1(C[NH3+])CCCC1 ZINC000051256086 176086381 /nfs/dbraw/zinc/08/63/81/176086381.db2.gz LPUYOKZPIOWBPJ-ZIAGYGMSSA-N 2 0 238.419 3.016 10 0 BGAERP C[C@H]1CCCC[C@H]1[N@H+](C)CC1(C[NH3+])CCCC1 ZINC000051256088 177087236 /nfs/dbraw/zinc/08/72/36/177087236.db2.gz LPUYOKZPIOWBPJ-UONOGXRCSA-N 2 0 238.419 3.016 10 0 BGAERP CC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1C ZINC000051256401 170110783 /nfs/dbraw/zinc/11/07/83/170110783.db2.gz UJXSETMIAKDHLY-UHFFFAOYSA-N 2 0 248.414 3.063 10 0 BGAERP CC[NH2+]CC1(C[N@H+](C)CC(C)(C)C)CCCC1 ZINC000051257427 170111212 /nfs/dbraw/zinc/11/12/12/170111212.db2.gz TWQBMULBXJJNIP-UHFFFAOYSA-N 2 0 240.435 3.134 10 0 BGAERP CC[NH2+]CC(CC)(CC)C[N@H+](C)CC(C)(C)C ZINC000051257478 170110339 /nfs/dbraw/zinc/11/03/39/170110339.db2.gz HDFWNZZXFZNIJA-UHFFFAOYSA-N 2 0 242.451 3.380 10 0 BGAERP CCC(CC)(C[NH2+]C)C[N@H+](C)[C@@H](C)CC(C)C ZINC000051258485 168325711 /nfs/dbraw/zinc/32/57/11/168325711.db2.gz BOJWHDPRCZGWEK-AWEZNQCLSA-N 2 0 242.451 3.379 10 0 BGAERP CCC(CC)(C[NH2+]C)C[N@H+](C)[C@H](C)CC(C)C ZINC000051258487 168325485 /nfs/dbraw/zinc/32/54/85/168325485.db2.gz BOJWHDPRCZGWEK-CQSZACIVSA-N 2 0 242.451 3.379 10 0 BGAERP CCC[NH2+]CC(C)(C)C[N@H+](CC(C)C)C(C)C ZINC000051259248 169255167 /nfs/dbraw/zinc/25/51/67/169255167.db2.gz SYJLKHJZOGPOBJ-UHFFFAOYSA-N 2 0 242.451 3.379 10 0 BGAERP CC(C)[NH2+]CC(C)(C)C[N@H+](CC1CC1)C(C)C ZINC000051259485 167096692 /nfs/dbraw/zinc/09/66/92/167096692.db2.gz CFWHBIMERNBBHH-UHFFFAOYSA-N 2 0 240.435 3.131 10 0 BGAERP CCC(CC)(C[NH2+]C)C[N@H+](CC1CC1)C(C)C ZINC000051259494 168325557 /nfs/dbraw/zinc/32/55/57/168325557.db2.gz FRXZRHJPAFIVAE-UHFFFAOYSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+]C[C@](C)(CC)C[N@H+](CC1CC1)C(C)C ZINC000051259551 170123276 /nfs/dbraw/zinc/12/32/76/170123276.db2.gz UYHMLPNLWULISH-HNNXBMFYSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+]C[C@@](C)(CC)C[N@H+](CC1CC1)C(C)C ZINC000051259553 170120701 /nfs/dbraw/zinc/12/07/01/170120701.db2.gz UYHMLPNLWULISH-OAHLLOKOSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+]CC(CC)(CC)C[N@H+](C)CCC(C)C ZINC000051259699 170110602 /nfs/dbraw/zinc/11/06/02/170110602.db2.gz OVVLDZJHJDNMJG-UHFFFAOYSA-N 2 0 242.451 3.380 10 0 BGAERP CCC[NH2+]CC(C)(C)C[NH+]1CCC(CC)CC1 ZINC000051283725 169255610 /nfs/dbraw/zinc/25/56/10/169255610.db2.gz BIYNLRRGKGNFOC-UHFFFAOYSA-N 2 0 240.435 3.134 10 0 BGAERP CC[NH2+]CC(C)(C)C[N@H+](C)CC1CCCCC1 ZINC000051283834 170110291 /nfs/dbraw/zinc/11/02/91/170110291.db2.gz LVKDOOKLVLZXDV-UHFFFAOYSA-N 2 0 240.435 3.134 10 0 BGAERP CC[C@@](C)(C[NH2+]C)C[N@H+](C)Cc1cccc(C)c1 ZINC000051286290 171167203 /nfs/dbraw/zinc/16/72/03/171167203.db2.gz AISGEAHYLTYWMR-INIZCTEOSA-N 2 0 248.414 3.063 10 0 BGAERP CCC[C@@H](C)C[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000051297726 169357737 /nfs/dbraw/zinc/35/77/37/169357737.db2.gz JKQWKLWRBQDFPM-CYBMUJFWSA-N 2 0 234.387 3.013 10 0 BGAERP CCC[C@@H](C)C[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000051297802 169358239 /nfs/dbraw/zinc/35/82/39/169358239.db2.gz BCUXPGLHNOJVRO-CYBMUJFWSA-N 2 0 234.387 3.013 10 0 BGAERP C[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)CC(C)(C)C1 ZINC000051693475 631869714 /nfs/dbraw/zinc/86/97/14/631869714.db2.gz KTOILAAFSGDOMT-RYSNWHEDSA-N 2 0 238.419 3.061 10 0 BGAERP C[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)CC(C)(C)C1 ZINC000051693477 177369297 /nfs/dbraw/zinc/36/92/97/177369297.db2.gz KTOILAAFSGDOMT-ABXWRUBCSA-N 2 0 238.419 3.061 10 0 BGAERP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)CC(C)(C)C1 ZINC000051693478 636662133 /nfs/dbraw/zinc/66/21/33/636662133.db2.gz KTOILAAFSGDOMT-BLYZHGLHSA-N 2 0 238.419 3.061 10 0 BGAERP C[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)CC(C)(C)C1 ZINC000051693480 177330482 /nfs/dbraw/zinc/33/04/82/177330482.db2.gz KTOILAAFSGDOMT-GFJIZPEISA-N 2 0 238.419 3.061 10 0 BGAERP CCC[NH2+][C@H](C)CCC[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC000051730959 169286328 /nfs/dbraw/zinc/28/63/28/169286328.db2.gz NDUMZDAGASPYRI-ZNMIVQPWSA-N 2 0 240.435 3.275 10 0 BGAERP CCC[NH2+][C@H](CC)[C@H](C)[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC000051731563 169288212 /nfs/dbraw/zinc/28/82/12/169288212.db2.gz FBMKHCNFWJDBMK-ZQDZILKHSA-N 2 0 240.435 3.274 10 0 BGAERP C[C@@H]1CC[N@H+](CC2(C[NH3+])CCCCC2)[C@H](C)C1 ZINC000051748488 176168965 /nfs/dbraw/zinc/16/89/65/176168965.db2.gz AGHUDWBAZJJANS-ZIAGYGMSSA-N 2 0 238.419 3.016 10 0 BGAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1CC1(C[NH3+])CCCCC1 ZINC000051748490 177159253 /nfs/dbraw/zinc/15/92/53/177159253.db2.gz AGHUDWBAZJJANS-UONOGXRCSA-N 2 0 238.419 3.016 10 0 BGAERP CC[C@H](C1CCCCC1)[NH+]1CCC[NH2+]CCC1 ZINC000052342525 171418449 /nfs/dbraw/zinc/41/84/49/171418449.db2.gz LNVQRCUIIZELOG-OAHLLOKOSA-N 2 0 238.419 3.031 10 0 BGAERP CCC[NH2+]C[C@@H](C)C[N@H+](C)C1CCC(C)CC1 ZINC000052345341 169261249 /nfs/dbraw/zinc/26/12/49/169261249.db2.gz OMBGZVWXVBXHQB-SHARSMKWSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+]C[C@H](C)C[N@H+](C)C1CCC(C)CC1 ZINC000052345342 169264074 /nfs/dbraw/zinc/26/40/74/169264074.db2.gz OMBGZVWXVBXHQB-SLTAFYQDSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+]CC[C@@H](C)[N@H+](C)C1CCC(C)CC1 ZINC000052345487 169260497 /nfs/dbraw/zinc/26/04/97/169260497.db2.gz YBKCDRXEAFVUJD-SHARSMKWSA-N 2 0 240.435 3.275 10 0 BGAERP CCC[NH2+]CC[C@H](C)[N@H+](C)C1CCC(C)CC1 ZINC000052345488 169261566 /nfs/dbraw/zinc/26/15/66/169261566.db2.gz YBKCDRXEAFVUJD-SLTAFYQDSA-N 2 0 240.435 3.275 10 0 BGAERP CC[NH2+]C[C@H](C)C[N@H+](C)C1CCC(CC)CC1 ZINC000052345544 170121703 /nfs/dbraw/zinc/12/17/03/170121703.db2.gz DZAUZKOIYKBLFP-NFOMZHRRSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+]C[C@@H](C)C[N@H+](C)C1CCC(CC)CC1 ZINC000052345545 170118799 /nfs/dbraw/zinc/11/87/99/170118799.db2.gz DZAUZKOIYKBLFP-WLYUNCDWSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+]CC[C@H](C)[N@H+](C)C1CCC(CC)CC1 ZINC000052345644 170117143 /nfs/dbraw/zinc/11/71/43/170117143.db2.gz IELQYGPLDWIHHB-NFOMZHRRSA-N 2 0 240.435 3.275 10 0 BGAERP CC[NH2+]CC[C@@H](C)[N@H+](C)C1CCC(CC)CC1 ZINC000052345645 170116430 /nfs/dbraw/zinc/11/64/30/170116430.db2.gz IELQYGPLDWIHHB-WLYUNCDWSA-N 2 0 240.435 3.275 10 0 BGAERP CC(C)C[NH2+]CCCC[N@H+](CC1CC1)C(C)C ZINC000052345681 167002435 /nfs/dbraw/zinc/00/24/35/167002435.db2.gz RWXLQJWQSHEIRQ-UHFFFAOYSA-N 2 0 240.435 3.133 10 0 BGAERP CC(C)[NH2+]CCCCC[N@H+](CC1CC1)C(C)C ZINC000052345826 167102844 /nfs/dbraw/zinc/10/28/44/167102844.db2.gz WBAZEPXZLQLOGV-UHFFFAOYSA-N 2 0 240.435 3.275 10 0 BGAERP CCC[NH2+]C[C@@H](C)C[N@H+](C)Cc1cccc(C)c1 ZINC000052345962 169261673 /nfs/dbraw/zinc/26/16/73/169261673.db2.gz NJYZDOVTXHDABR-OAHLLOKOSA-N 2 0 248.414 3.063 10 0 BGAERP CCC[NH2+]C[C@H](C)C[N@H+](C)Cc1cccc(C)c1 ZINC000052345963 169263406 /nfs/dbraw/zinc/26/34/06/169263406.db2.gz NJYZDOVTXHDABR-HNNXBMFYSA-N 2 0 248.414 3.063 10 0 BGAERP CCC[NH2+]CCCC[N@H+](C)CC1CCCCC1 ZINC000052346671 169256677 /nfs/dbraw/zinc/25/66/77/169256677.db2.gz SFADQUJIGHSWRE-UHFFFAOYSA-N 2 0 240.435 3.278 10 0 BGAERP CC(C)[NH2+]C[C@@H](C)C[N@H+](C)CC1CCCCC1 ZINC000052346711 167111259 /nfs/dbraw/zinc/11/12/59/167111259.db2.gz VDSYPNLIIWWASU-CQSZACIVSA-N 2 0 240.435 3.133 10 0 BGAERP CC(C)[NH2+]C[C@H](C)C[N@H+](C)CC1CCCCC1 ZINC000052346712 167112601 /nfs/dbraw/zinc/11/26/01/167112601.db2.gz VDSYPNLIIWWASU-AWEZNQCLSA-N 2 0 240.435 3.133 10 0 BGAERP CCC1CC[NH+]([C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052347034 168529007 /nfs/dbraw/zinc/52/90/07/168529007.db2.gz WCKMFTAJYQAYTM-AWEZNQCLSA-N 2 0 240.435 3.275 10 0 BGAERP CCC[NH2+]CCCCC[NH+]1CCC(CC)CC1 ZINC000052347045 169256783 /nfs/dbraw/zinc/25/67/83/169256783.db2.gz VYZYXADTLRAFRG-UHFFFAOYSA-N 2 0 240.435 3.278 10 0 BGAERP CC(C)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000052373204 167003403 /nfs/dbraw/zinc/00/34/03/167003403.db2.gz NVUVWLJABRESAE-HUUCEWRRSA-N 2 0 240.435 3.133 10 0 BGAERP CC(C)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000052373205 167002449 /nfs/dbraw/zinc/00/24/49/167002449.db2.gz NVUVWLJABRESAE-LSDHHAIUSA-N 2 0 240.435 3.133 10 0 BGAERP C[C@@H]1CCC[N@H+](CCCCC[NH2+]C2CC2)[C@@H]1C ZINC000052373432 176098184 /nfs/dbraw/zinc/09/81/84/176098184.db2.gz KYVUNUCBQRQALR-ZIAGYGMSSA-N 2 0 238.419 3.029 10 0 BGAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCCCC[NH2+]C1CC1 ZINC000052373433 177098482 /nfs/dbraw/zinc/09/84/82/177098482.db2.gz KYVUNUCBQRQALR-UONOGXRCSA-N 2 0 238.419 3.029 10 0 BGAERP CC(C)C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000052373520 167005092 /nfs/dbraw/zinc/00/50/92/167005092.db2.gz BGFGHJKAYGTELM-QLFBSQMISA-N 2 0 240.435 3.131 10 0 BGAERP CC(C)C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000052373521 167005585 /nfs/dbraw/zinc/00/55/85/167005585.db2.gz BGFGHJKAYGTELM-SOUVJXGZSA-N 2 0 240.435 3.131 10 0 BGAERP C[NH2+]CCCCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373655 173345187 /nfs/dbraw/zinc/34/51/87/173345187.db2.gz XAMMWOXXGCHYKV-UHFFFAOYSA-N 2 0 240.435 3.134 10 0 BGAERP CCC[NH2+]C[C@H](C)C[NH+]1CCC(CCC)CC1 ZINC000052373846 169263679 /nfs/dbraw/zinc/26/36/79/169263679.db2.gz FGHISTDAHLSYII-AWEZNQCLSA-N 2 0 240.435 3.134 10 0 BGAERP CCC[NH2+]C[C@@H](C)C[NH+]1CCC(CCC)CC1 ZINC000052373848 169261202 /nfs/dbraw/zinc/26/12/02/169261202.db2.gz FGHISTDAHLSYII-CQSZACIVSA-N 2 0 240.435 3.134 10 0 BGAERP CCC[NH2+]CCCCC[NH+]1Cc2ccccc2C1 ZINC000052374474 169257137 /nfs/dbraw/zinc/25/71/37/169257137.db2.gz WWELPEMYTMBWHF-UHFFFAOYSA-N 2 0 246.398 3.172 10 0 BGAERP CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H]2CC)c1 ZINC000052374924 170128644 /nfs/dbraw/zinc/12/86/44/170128644.db2.gz GFUMWYSDFRJJDR-MRXNPFEDSA-N 2 0 246.398 3.171 10 0 BGAERP CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H]2CC)c1 ZINC000052374926 170128429 /nfs/dbraw/zinc/12/84/29/170128429.db2.gz GFUMWYSDFRJJDR-INIZCTEOSA-N 2 0 246.398 3.171 10 0 BGAERP CCC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000052375663 169268420 /nfs/dbraw/zinc/26/84/20/169268420.db2.gz LCHSWWPZAORNSW-AWEZNQCLSA-N 2 0 246.398 3.171 10 0 BGAERP CCC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H]2C)c1 ZINC000052375664 169268330 /nfs/dbraw/zinc/26/83/30/169268330.db2.gz LCHSWWPZAORNSW-CQSZACIVSA-N 2 0 246.398 3.171 10 0 BGAERP CC(C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H]2C)cc1 ZINC000052376060 167119739 /nfs/dbraw/zinc/11/97/39/167119739.db2.gz OANGVGQCBHUHMH-CQSZACIVSA-N 2 0 246.398 3.169 10 0 BGAERP CC(C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000052376062 167119834 /nfs/dbraw/zinc/11/98/34/167119834.db2.gz OANGVGQCBHUHMH-AWEZNQCLSA-N 2 0 246.398 3.169 10 0 BGAERP CC(C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1C ZINC000052376142 167121078 /nfs/dbraw/zinc/12/10/78/167121078.db2.gz CTVSFLSBEPLVQV-CQSZACIVSA-N 2 0 246.398 3.169 10 0 BGAERP CC(C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1C ZINC000052376143 167120126 /nfs/dbraw/zinc/12/01/26/167120126.db2.gz CTVSFLSBEPLVQV-AWEZNQCLSA-N 2 0 246.398 3.169 10 0 BGAERP C[C@@H](CCC[NH2+]C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000052377093 168185345 /nfs/dbraw/zinc/18/53/45/168185345.db2.gz IYSBMPRCSINPHQ-AWEZNQCLSA-N 2 0 240.435 3.275 10 0 BGAERP C[C@H](CCC[NH2+]C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000052377095 168187067 /nfs/dbraw/zinc/18/70/67/168187067.db2.gz IYSBMPRCSINPHQ-CQSZACIVSA-N 2 0 240.435 3.275 10 0 BGAERP CC(C)(C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000052377524 166636047 /nfs/dbraw/zinc/63/60/47/166636047.db2.gz JYKOJIXDTHWHKG-UHFFFAOYSA-N 2 0 246.398 3.171 10 0 BGAERP C[C@@H](CCC[NH2+]C(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000052378948 177078554 /nfs/dbraw/zinc/07/85/54/177078554.db2.gz WIMNUWNIJQIDQW-KBPBESRZSA-N 2 0 240.435 3.418 10 0 BGAERP C[C@@H](CCC[NH2+]C(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000052381502 177104423 /nfs/dbraw/zinc/10/44/23/177104423.db2.gz ASWXFVUWMPPCER-KBPBESRZSA-N 2 0 240.435 3.275 10 0 BGAERP CC(C)C[NH2+]CCC[C@@H](C)[NH+]1CCCCCC1 ZINC000052381997 167003875 /nfs/dbraw/zinc/00/38/75/167003875.db2.gz GKIONMQFBJQVIH-OAHLLOKOSA-N 2 0 240.435 3.277 10 0 BGAERP CC(C)C[NH2+]CCC[C@H](C)[NH+]1CCCCCC1 ZINC000052381998 167003825 /nfs/dbraw/zinc/00/38/25/167003825.db2.gz GKIONMQFBJQVIH-HNNXBMFYSA-N 2 0 240.435 3.277 10 0 BGAERP CC[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000052382018 170126373 /nfs/dbraw/zinc/12/63/73/170126373.db2.gz KZBLFNPTULYRLJ-UHFFFAOYSA-N 2 0 246.398 3.172 10 0 BGAERP CC[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000052382093 170128098 /nfs/dbraw/zinc/12/80/98/170128098.db2.gz FVAJHZRNGUMQHP-UHFFFAOYSA-N 2 0 246.398 3.172 10 0 BGAERP CCC[NH+](CCC)Cc1ccc(C[NH2+]CC)o1 ZINC000052416746 169149737 /nfs/dbraw/zinc/14/97/37/169149737.db2.gz DVMGSHKIEOEXJV-UHFFFAOYSA-N 2 0 238.375 3.011 10 0 BGAERP CC(C)C[NH2+]CCCC[N@H+](C)Cc1ccccc1 ZINC000052417384 167002741 /nfs/dbraw/zinc/00/27/41/167002741.db2.gz AWPGHQWIINBBEA-UHFFFAOYSA-N 2 0 248.414 3.144 10 0 BGAERP CC(C)C[NH2+]C[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000052417426 167006303 /nfs/dbraw/zinc/00/63/03/167006303.db2.gz MYRMQDQTMNIOHL-HNNXBMFYSA-N 2 0 248.414 3.000 10 0 BGAERP CC(C)[NH2+]CCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000052417502 167101545 /nfs/dbraw/zinc/10/15/45/167101545.db2.gz RKVKMKKCTBLNMT-OAHLLOKOSA-N 2 0 248.414 3.285 10 0 BGAERP CC(C)[NH2+]CCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000052417503 167103016 /nfs/dbraw/zinc/10/30/16/167103016.db2.gz RKVKMKKCTBLNMT-HNNXBMFYSA-N 2 0 248.414 3.285 10 0 BGAERP CCC[NH2+]CCC[C@@H](C)[N@H+](C)C1CCCCC1 ZINC000052419355 169257262 /nfs/dbraw/zinc/25/72/62/169257262.db2.gz HDBIDRSORNALIC-CQSZACIVSA-N 2 0 240.435 3.419 10 0 BGAERP CCC[NH2+]CCC[C@H](C)[N@H+](C)C1CCCCC1 ZINC000052419356 169257964 /nfs/dbraw/zinc/25/79/64/169257964.db2.gz HDBIDRSORNALIC-AWEZNQCLSA-N 2 0 240.435 3.419 10 0 BGAERP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)C1CCCCC1 ZINC000052419443 167005441 /nfs/dbraw/zinc/00/54/41/167005441.db2.gz FXTMDYJVKUNYAF-CQSZACIVSA-N 2 0 240.435 3.275 10 0 BGAERP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)C1CCCCC1 ZINC000052419444 167005181 /nfs/dbraw/zinc/00/51/81/167005181.db2.gz FXTMDYJVKUNYAF-AWEZNQCLSA-N 2 0 240.435 3.275 10 0 BGAERP CCC[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000052419532 169267509 /nfs/dbraw/zinc/26/75/09/169267509.db2.gz OMOFJEFIWYNSRU-UHFFFAOYSA-N 2 0 234.387 3.026 10 0 BGAERP CC(C)[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052419630 187270851 /nfs/dbraw/zinc/27/08/51/187270851.db2.gz ULJOITXJPYXKLC-UHFFFAOYSA-N 2 0 238.375 3.008 10 0 BGAERP CCC[NH2+]Cc1ccc(C[N@H+](C)C(C)C)cc1 ZINC000052419659 169267396 /nfs/dbraw/zinc/26/73/96/169267396.db2.gz QBQFZMOGGWBMAY-UHFFFAOYSA-N 2 0 234.387 3.026 10 0 BGAERP CC(C)C[NH2+]Cc1ccc(C[N@H+](C)C(C)C)cc1 ZINC000052419663 167008657 /nfs/dbraw/zinc/00/86/57/167008657.db2.gz ASCSYYKBJAHJFE-UHFFFAOYSA-N 2 0 248.414 3.272 10 0 BGAERP CCC[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000052419698 169268482 /nfs/dbraw/zinc/26/84/82/169268482.db2.gz SVSUBBKOTCMQDX-UHFFFAOYSA-N 2 0 234.387 3.026 10 0 BGAERP CCC[NH2+]CCCC[N@H+](CC)C1CCCCC1 ZINC000052419985 169256982 /nfs/dbraw/zinc/25/69/82/169256982.db2.gz ZRVJQMMIFSHAJG-UHFFFAOYSA-N 2 0 240.435 3.421 10 0 BGAERP CC[NH2+]CCCCC[N@H+](CC)C1CCCCC1 ZINC000052420120 170111841 /nfs/dbraw/zinc/11/18/41/170111841.db2.gz IFDQVDUJCOETKV-UHFFFAOYSA-N 2 0 240.435 3.421 10 0 BGAERP CCC[NH2+]CC[C@@H](C)[N@H+](CC)C1CCCCC1 ZINC000052420169 169260184 /nfs/dbraw/zinc/26/01/84/169260184.db2.gz XWOYNIPEBIQQTM-CQSZACIVSA-N 2 0 240.435 3.419 10 0 BGAERP CCC[NH2+]CC[C@H](C)[N@H+](CC)C1CCCCC1 ZINC000052420170 169260968 /nfs/dbraw/zinc/26/09/68/169260968.db2.gz XWOYNIPEBIQQTM-AWEZNQCLSA-N 2 0 240.435 3.419 10 0 BGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C(C)(C)C)C1 ZINC000052420458 177313845 /nfs/dbraw/zinc/31/38/45/177313845.db2.gz FYCHYOXHMQCDHP-OKILXGFUSA-N 2 0 240.435 3.133 10 0 BGAERP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C(C)(C)C)C1 ZINC000052420459 177358259 /nfs/dbraw/zinc/35/82/59/177358259.db2.gz FYCHYOXHMQCDHP-KBPBESRZSA-N 2 0 240.435 3.133 10 0 BGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C(C)(C)C)C1 ZINC000052420460 176360944 /nfs/dbraw/zinc/36/09/44/176360944.db2.gz FYCHYOXHMQCDHP-ZIAGYGMSSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+]CCC[C@@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420788 169256836 /nfs/dbraw/zinc/25/68/36/169256836.db2.gz PVQCSNLOGHQEMQ-QLFBSQMISA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+]CCC[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420789 169258616 /nfs/dbraw/zinc/25/86/16/169258616.db2.gz PVQCSNLOGHQEMQ-ZNMIVQPWSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+]CCC[C@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000052420791 169258309 /nfs/dbraw/zinc/25/83/09/169258309.db2.gz PVQCSNLOGHQEMQ-KKUMJFAQSA-N 2 0 240.435 3.133 10 0 BGAERP CC(C)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000052421180 167119184 /nfs/dbraw/zinc/11/91/84/167119184.db2.gz LCVHEQTZNFTHFU-UHFFFAOYSA-N 2 0 246.398 3.171 10 0 BGAERP CCC[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000052421281 169266792 /nfs/dbraw/zinc/26/67/92/169266792.db2.gz AEAZVYVALVUXJF-UHFFFAOYSA-N 2 0 246.398 3.172 10 0 BGAERP CCC[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccc(C)cc1 ZINC000052424589 169261790 /nfs/dbraw/zinc/26/17/90/169261790.db2.gz TYKCDIFDWVMUSE-OAHLLOKOSA-N 2 0 248.414 3.063 10 0 BGAERP CCC[NH2+]C[C@H](C)C[N@H+](C)Cc1ccc(C)cc1 ZINC000052424590 169263951 /nfs/dbraw/zinc/26/39/51/169263951.db2.gz TYKCDIFDWVMUSE-HNNXBMFYSA-N 2 0 248.414 3.063 10 0 BGAERP CC(C)C[NH2+]CC[C@@H](C)[NH+]1CCCCCCC1 ZINC000052425158 167004967 /nfs/dbraw/zinc/00/49/67/167004967.db2.gz MLTBEALGTJWGPM-OAHLLOKOSA-N 2 0 240.435 3.277 10 0 BGAERP CC(C)C[NH2+]CC[C@H](C)[NH+]1CCCCCCC1 ZINC000052425160 167005172 /nfs/dbraw/zinc/00/51/72/167005172.db2.gz MLTBEALGTJWGPM-HNNXBMFYSA-N 2 0 240.435 3.277 10 0 BGAERP CC[C@H](C)[N@H+](C)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000052444027 171308598 /nfs/dbraw/zinc/30/85/98/171308598.db2.gz YFVPRPLWYNPFOV-AWEZNQCLSA-N 2 0 248.414 3.415 10 0 BGAERP CC[C@H](C)[N@H+](C)Cc1c2ccccc2oc1C[NH3+] ZINC000052444091 171308534 /nfs/dbraw/zinc/30/85/34/171308534.db2.gz ANWXMAIJVONWQL-NSHDSACASA-N 2 0 246.354 3.122 10 0 BGAERP CCC[NH2+]Cc1coc(C[N@H+](C)[C@@H](C)CC)c1 ZINC000052444206 169270023 /nfs/dbraw/zinc/27/00/23/169270023.db2.gz GFIPYGBKBZBMIK-LBPRGKRZSA-N 2 0 238.375 3.010 10 0 BGAERP CCC[NH2+]Cc1coc(C[N@H+](C)[C@H](C)CC)c1 ZINC000052444207 169269518 /nfs/dbraw/zinc/26/95/18/169269518.db2.gz GFIPYGBKBZBMIK-GFCCVEGCSA-N 2 0 238.375 3.010 10 0 BGAERP CC[C@H](C)[N@H+](C)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000052444259 171308550 /nfs/dbraw/zinc/30/85/50/171308550.db2.gz GIINIUOQAZHNRW-AWEZNQCLSA-N 2 0 248.414 3.415 10 0 BGAERP CC[C@H](C)[N@H+](C)Cc1ccccc1C[NH2+]C(C)C ZINC000052444305 171307417 /nfs/dbraw/zinc/30/74/17/171307417.db2.gz NSOWYMQXDJXEKE-AWEZNQCLSA-N 2 0 248.414 3.415 10 0 BGAERP CCC[N@H+](C)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000052444440 169080218 /nfs/dbraw/zinc/08/02/18/169080218.db2.gz JUCGWJWMYJPJBL-UHFFFAOYSA-N 2 0 234.387 3.026 10 0 BGAERP CCC[NH2+]Cc1ccc(C[N@H+](C)CCC)cc1 ZINC000052444567 169266850 /nfs/dbraw/zinc/26/68/50/169266850.db2.gz KQVBSDOAZWXDKX-UHFFFAOYSA-N 2 0 234.387 3.028 10 0 BGAERP CC(C)C[NH2+]C[C@@H](C(C)C)N(C)C1CCCC1 ZINC000052444657 167004580 /nfs/dbraw/zinc/00/45/80/167004580.db2.gz QTIFIXINABTRAZ-HNNXBMFYSA-N 2 0 240.435 3.131 10 0 BGAERP CC[NH2+]Cc1cccc(C[N@H+](C)C2CCCC2)c1 ZINC000052444713 170128211 /nfs/dbraw/zinc/12/82/11/170128211.db2.gz PKYLJZZTRKFFHX-UHFFFAOYSA-N 2 0 246.398 3.171 10 0 BGAERP CCC[NH2+]Cc1occc1C[N@H+](CC)C(C)C ZINC000052446760 169269763 /nfs/dbraw/zinc/26/97/63/169269763.db2.gz ZFCRQLMQPVDXTJ-UHFFFAOYSA-N 2 0 238.375 3.010 10 0 BGAERP CCC[NH2+]CCC[C@@H](C)[N@@H+]1CCCC[C@@H]1CC ZINC000052447723 169257203 /nfs/dbraw/zinc/25/72/03/169257203.db2.gz RAYOFHVGMOVSQQ-CABCVRRESA-N 2 0 240.435 3.419 10 0 BGAERP CCC[NH2+]CCC[C@H](C)[N@@H+]1CCCC[C@@H]1CC ZINC000052447726 169258311 /nfs/dbraw/zinc/25/83/11/169258311.db2.gz RAYOFHVGMOVSQQ-GJZGRUSLSA-N 2 0 240.435 3.419 10 0 BGAERP CCC[N@H+](CC)Cc1cccc(C[NH2+]CC)c1 ZINC000052448212 169129169 /nfs/dbraw/zinc/12/91/69/169129169.db2.gz JTHMSRAMEOPAOP-UHFFFAOYSA-N 2 0 234.387 3.028 10 0 BGAERP CCC[N@H+](CC)Cc1occc1C[NH2+]C(C)C ZINC000052448238 169131311 /nfs/dbraw/zinc/13/13/11/169131311.db2.gz HROSBOTVDBFAJU-UHFFFAOYSA-N 2 0 238.375 3.010 10 0 BGAERP CCC[NH2+]Cc1ccc(C[N@H+](CC)CCC)o1 ZINC000052448267 169266786 /nfs/dbraw/zinc/26/67/86/169266786.db2.gz XNGLOQMHYSRLNQ-UHFFFAOYSA-N 2 0 238.375 3.011 10 0 BGAERP CCC[N@H+](CC)Cc1ccoc1C[NH2+]C(C)C ZINC000052448309 169129517 /nfs/dbraw/zinc/12/95/17/169129517.db2.gz XTTHGKSXEDMGIP-UHFFFAOYSA-N 2 0 238.375 3.010 10 0 BGAERP CCC[N@H+](CC)Cc1ccc(C[NH2+]CC)cc1 ZINC000052448514 169129650 /nfs/dbraw/zinc/12/96/50/169129650.db2.gz PZLMXRWEGVPRJE-UHFFFAOYSA-N 2 0 234.387 3.028 10 0 BGAERP CCC[N@H+]([C@@H](C)CCC[NH2+]CC(C)C)C1CC1 ZINC000052449169 169089552 /nfs/dbraw/zinc/08/95/52/169089552.db2.gz IIWMJSVHAIVDJP-AWEZNQCLSA-N 2 0 240.435 3.275 10 0 BGAERP CCC[N@H+]([C@H](C)CCC[NH2+]CC(C)C)C1CC1 ZINC000052449171 169091583 /nfs/dbraw/zinc/09/15/83/169091583.db2.gz IIWMJSVHAIVDJP-CQSZACIVSA-N 2 0 240.435 3.275 10 0 BGAERP CC[NH2+]Cc1cccc(C[N@H+](CC)CC(C)C)c1 ZINC000052449561 170128610 /nfs/dbraw/zinc/12/86/10/170128610.db2.gz RCCAAJFEYBDZOV-UHFFFAOYSA-N 2 0 248.414 3.274 10 0 BGAERP CCC[N@H+](Cc1ccc(C[NH2+]CC)o1)C(C)C ZINC000052450288 169175836 /nfs/dbraw/zinc/17/58/36/169175836.db2.gz HEBCSJMERQKHNF-UHFFFAOYSA-N 2 0 238.375 3.010 10 0 BGAERP CC[NH2+]Cc1cccc(C[N@H+](CC)[C@H](C)CC)c1 ZINC000052450927 170128487 /nfs/dbraw/zinc/12/84/87/170128487.db2.gz GJNPIGJFFSANKI-CQSZACIVSA-N 2 0 248.414 3.417 10 0 BGAERP CC[NH2+]Cc1cccc(C[N@H+](CC)[C@@H](C)CC)c1 ZINC000052450930 170128421 /nfs/dbraw/zinc/12/84/21/170128421.db2.gz GJNPIGJFFSANKI-AWEZNQCLSA-N 2 0 248.414 3.417 10 0 BGAERP CC[NH2+]Cc1occc1C[N@H+](CC)[C@H](C)CC ZINC000052451103 170133015 /nfs/dbraw/zinc/13/30/15/170133015.db2.gz NIZTUJZNKLPZJE-GFCCVEGCSA-N 2 0 238.375 3.010 10 0 BGAERP CC[NH2+]Cc1occc1C[N@H+](CC)[C@@H](C)CC ZINC000052451105 170132642 /nfs/dbraw/zinc/13/26/42/170132642.db2.gz NIZTUJZNKLPZJE-LBPRGKRZSA-N 2 0 238.375 3.010 10 0 BGAERP CC[NH2+]Cc1coc(C[N@H+](CC)[C@H](C)CC)c1 ZINC000052451324 170130569 /nfs/dbraw/zinc/13/05/69/170130569.db2.gz LXVYGDPTUVOPQJ-GFCCVEGCSA-N 2 0 238.375 3.010 10 0 BGAERP CC[NH2+]Cc1coc(C[N@H+](CC)[C@@H](C)CC)c1 ZINC000052451328 170130647 /nfs/dbraw/zinc/13/06/47/170130647.db2.gz LXVYGDPTUVOPQJ-LBPRGKRZSA-N 2 0 238.375 3.010 10 0 BGAERP CCC[NH2+]Cc1ccccc1C[N@H+](C)CC(C)C ZINC000052452859 169268255 /nfs/dbraw/zinc/26/82/55/169268255.db2.gz MGBJGZARHPBRCU-UHFFFAOYSA-N 2 0 248.414 3.274 10 0 BGAERP CC[C@H](C)C[N@H+](C)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052454289 171275075 /nfs/dbraw/zinc/27/50/75/171275075.db2.gz ULNNHYQPDDAPPR-GJZGRUSLSA-N 2 0 242.451 3.379 10 0 BGAERP CC[NH2+]Cc1ccoc1C[N@H+](C)C(CC)CC ZINC000052478030 170129694 /nfs/dbraw/zinc/12/96/94/170129694.db2.gz CYSCESLDFPYCAB-UHFFFAOYSA-N 2 0 238.375 3.010 10 0 BGAERP CCC(CC)[N@H+](C)Cc1ccccc1C[NH2+]C ZINC000052478237 168368866 /nfs/dbraw/zinc/36/88/66/168368866.db2.gz VURSMCFUGIGXPT-UHFFFAOYSA-N 2 0 234.387 3.026 10 0 BGAERP CC[NH2+]Cc1ccc(C[N@H+](C)[C@@H](C)C(C)C)cc1 ZINC000052478605 170126940 /nfs/dbraw/zinc/12/69/40/170126940.db2.gz QZMJBHNWKHQFLP-AWEZNQCLSA-N 2 0 248.414 3.272 10 0 BGAERP CC[NH2+]Cc1ccc(C[N@H+](C)[C@H](C)C(C)C)cc1 ZINC000052478606 170126579 /nfs/dbraw/zinc/12/65/79/170126579.db2.gz QZMJBHNWKHQFLP-CQSZACIVSA-N 2 0 248.414 3.272 10 0 BGAERP CC[NH2+]Cc1ccccc1C[N@H+](C)[C@@H](C)C(C)C ZINC000052478653 170127965 /nfs/dbraw/zinc/12/79/65/170127965.db2.gz JYKCLRKLHIAEEO-AWEZNQCLSA-N 2 0 248.414 3.272 10 0 BGAERP CC[NH2+]Cc1ccccc1C[N@H+](C)[C@H](C)C(C)C ZINC000052478654 170128638 /nfs/dbraw/zinc/12/86/38/170128638.db2.gz JYKCLRKLHIAEEO-CQSZACIVSA-N 2 0 248.414 3.272 10 0 BGAERP CC(C)C[NH2+]CCCCC[N@H+](C)[C@@H](C)C1CC1 ZINC000052479236 167003786 /nfs/dbraw/zinc/00/37/86/167003786.db2.gz WOQKMHMIORTXLD-AWEZNQCLSA-N 2 0 240.435 3.133 10 0 BGAERP CC(C)C[NH2+]CCCCC[N@H+](C)[C@H](C)C1CC1 ZINC000052479237 167003254 /nfs/dbraw/zinc/00/32/54/167003254.db2.gz WOQKMHMIORTXLD-CQSZACIVSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+]Cc1ccc(C[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000052479240 170126330 /nfs/dbraw/zinc/12/63/30/170126330.db2.gz CQARBSNXFBLWJI-ZDUSSCGKSA-N 2 0 246.398 3.026 10 0 BGAERP CC[NH2+]Cc1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000052479241 170126995 /nfs/dbraw/zinc/12/69/95/170126995.db2.gz CQARBSNXFBLWJI-CYBMUJFWSA-N 2 0 246.398 3.026 10 0 BGAERP CC[C@@H]1CCC[N@H+](CCCC[NH2+]C(C)(C)C)C1 ZINC000052479607 170974685 /nfs/dbraw/zinc/97/46/85/170974685.db2.gz OEIXBBZBSYKXBQ-CQSZACIVSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+]CCC[C@@H](C)[N@@H+]1CCC[C@H](CC)C1 ZINC000052479821 169256695 /nfs/dbraw/zinc/25/66/95/169256695.db2.gz TXHWYXSCRWRKOP-CABCVRRESA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+]CCC[C@H](C)[N@@H+]1CCC[C@H](CC)C1 ZINC000052479822 169257942 /nfs/dbraw/zinc/25/79/42/169257942.db2.gz TXHWYXSCRWRKOP-GJZGRUSLSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[C@@H](C)[N@H+](C)Cc1cccc(C[NH2+]CC)c1 ZINC000052480530 169364857 /nfs/dbraw/zinc/36/48/57/169364857.db2.gz DCCYUAZJOCRFGE-CQSZACIVSA-N 2 0 248.414 3.417 10 0 BGAERP CCC[C@@H](C)[N@H+](C)Cc1ccoc1C[NH2+]CC ZINC000052480602 169365826 /nfs/dbraw/zinc/36/58/26/169365826.db2.gz AIRYLGURROHNAO-GFCCVEGCSA-N 2 0 238.375 3.010 10 0 BGAERP CCC[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]CC)co1 ZINC000052480694 169365089 /nfs/dbraw/zinc/36/50/89/169365089.db2.gz PGXAXVVCXKUOIK-GFCCVEGCSA-N 2 0 238.375 3.010 10 0 BGAERP CCC[C@@H](C)[N@H+](C)Cc1ccccc1C[NH2+]C ZINC000052480780 169365668 /nfs/dbraw/zinc/36/56/68/169365668.db2.gz OMOPENMYNRXBSC-CYBMUJFWSA-N 2 0 234.387 3.026 10 0 BGAERP CCC[NH2+]C[C@@H](C)C[N@H+](C)C1CCCCCC1 ZINC000052482005 169261771 /nfs/dbraw/zinc/26/17/71/169261771.db2.gz JZRPWFKBOUGDKX-CQSZACIVSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+]C[C@H](C)C[N@H+](C)C1CCCCCC1 ZINC000052482006 169263927 /nfs/dbraw/zinc/26/39/27/169263927.db2.gz JZRPWFKBOUGDKX-AWEZNQCLSA-N 2 0 240.435 3.277 10 0 BGAERP CC[NH2+]CCC[C@@H](C)[N@H+](C)C1CCCCCC1 ZINC000052482089 170112638 /nfs/dbraw/zinc/11/26/38/170112638.db2.gz AXEMGDYQVOQUBG-CQSZACIVSA-N 2 0 240.435 3.419 10 0 BGAERP CC[NH2+]CCC[C@H](C)[N@H+](C)C1CCCCCC1 ZINC000052482090 170112663 /nfs/dbraw/zinc/11/26/63/170112663.db2.gz AXEMGDYQVOQUBG-AWEZNQCLSA-N 2 0 240.435 3.419 10 0 BGAERP C[NH2+]CCCCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482598 173345011 /nfs/dbraw/zinc/34/50/11/173345011.db2.gz ANWOXOGNIHDQRK-CABCVRRESA-N 2 0 238.419 3.031 10 0 BGAERP C[NH2+]CCCCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000052482599 173344903 /nfs/dbraw/zinc/34/49/03/173344903.db2.gz ANWOXOGNIHDQRK-GJZGRUSLSA-N 2 0 238.419 3.031 10 0 BGAERP CC(C)[NH2+]Cc1cccc(C[N@H+](C)CC2CC2)c1 ZINC000052483543 167118704 /nfs/dbraw/zinc/11/87/04/167118704.db2.gz BKJDBBQZGDJBCQ-UHFFFAOYSA-N 2 0 246.398 3.026 10 0 BGAERP CC(C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000052484604 167118767 /nfs/dbraw/zinc/11/87/67/167118767.db2.gz HMOUHUUNAIQWTP-CQSZACIVSA-N 2 0 246.398 3.026 10 0 BGAERP CC(C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](C)C2)cc1 ZINC000052484606 167118940 /nfs/dbraw/zinc/11/89/40/167118940.db2.gz HMOUHUUNAIQWTP-AWEZNQCLSA-N 2 0 246.398 3.026 10 0 BGAERP CCC[NH2+]C[C@@H](C)C[NH+](CC(C)C)CC(C)C ZINC000052484870 169261226 /nfs/dbraw/zinc/26/12/26/169261226.db2.gz ZKGMVSPYYGFUBO-OAHLLOKOSA-N 2 0 242.451 3.236 10 0 BGAERP CCC[NH2+]C[C@H](C)C[NH+](CC(C)C)CC(C)C ZINC000052484871 169263915 /nfs/dbraw/zinc/26/39/15/169263915.db2.gz ZKGMVSPYYGFUBO-HNNXBMFYSA-N 2 0 242.451 3.236 10 0 BGAERP CC[NH2+]CCCCC[NH+](CC(C)C)CC(C)C ZINC000052485007 170111599 /nfs/dbraw/zinc/11/15/99/170111599.db2.gz ZEJXRVPLJIIYDK-UHFFFAOYSA-N 2 0 242.451 3.380 10 0 BGAERP CCC[NH2+]CC[C@@H](C)[NH+](CC(C)C)CC(C)C ZINC000052485091 169260249 /nfs/dbraw/zinc/26/02/49/169260249.db2.gz ZIKDTCVBLXNUPH-OAHLLOKOSA-N 2 0 242.451 3.379 10 0 BGAERP CCC[NH2+]CC[C@H](C)[NH+](CC(C)C)CC(C)C ZINC000052485093 169261472 /nfs/dbraw/zinc/26/14/72/169261472.db2.gz ZIKDTCVBLXNUPH-HNNXBMFYSA-N 2 0 242.451 3.379 10 0 BGAERP CC(C)[NH2+]CCCCC[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000052510238 167102964 /nfs/dbraw/zinc/10/29/64/167102964.db2.gz FPAWBQFNMYKDJP-HUUCEWRRSA-N 2 0 240.435 3.275 10 0 BGAERP CC(C)[NH2+]CCCCC[N@@H+]1CC[C@H](C)C[C@H]1C ZINC000052510241 167103007 /nfs/dbraw/zinc/10/30/07/167103007.db2.gz FPAWBQFNMYKDJP-LSDHHAIUSA-N 2 0 240.435 3.275 10 0 BGAERP CCCC[N@H+](CCCC[NH2+]CC(C)C)C1CC1 ZINC000052512320 168809665 /nfs/dbraw/zinc/80/96/65/168809665.db2.gz DOYRIIRURQNOTN-UHFFFAOYSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+]CCCC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000052513295 169256923 /nfs/dbraw/zinc/25/69/23/169256923.db2.gz UTDUJPHVCUEWLP-LSDHHAIUSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+]CCCC[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000052513297 169256844 /nfs/dbraw/zinc/25/68/44/169256844.db2.gz UTDUJPHVCUEWLP-GJZGRUSLSA-N 2 0 240.435 3.277 10 0 BGAERP CC(C)[NH2+]C[C@H](C)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000052513427 167113568 /nfs/dbraw/zinc/11/35/68/167113568.db2.gz QSZAOTDQQUQNFG-ILXRZTDVSA-N 2 0 240.435 3.131 10 0 BGAERP CC(C)[NH2+]C[C@H](C)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052513431 167113195 /nfs/dbraw/zinc/11/31/95/167113195.db2.gz QSZAOTDQQUQNFG-QLFBSQMISA-N 2 0 240.435 3.131 10 0 BGAERP CCC[N@H+](CCCCC[NH2+]C1CC1)CC1CC1 ZINC000052514639 169154026 /nfs/dbraw/zinc/15/40/26/169154026.db2.gz XPUVLVZECCUUKJ-UHFFFAOYSA-N 2 0 238.419 3.031 10 0 BGAERP CCC[N@H+](CC1CC1)[C@@H](C)CC[NH2+]CC(C)C ZINC000052514768 169138509 /nfs/dbraw/zinc/13/85/09/169138509.db2.gz WKNOXPZASLJWLE-AWEZNQCLSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[N@H+](CC1CC1)[C@H](C)CC[NH2+]CC(C)C ZINC000052514770 169138682 /nfs/dbraw/zinc/13/86/82/169138682.db2.gz WKNOXPZASLJWLE-CQSZACIVSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+]CCC[C@@H](C)[N@H+](CC(C)C)C1CC1 ZINC000052515827 169257406 /nfs/dbraw/zinc/25/74/06/169257406.db2.gz JUKVKFSIGGGFGA-CQSZACIVSA-N 2 0 240.435 3.275 10 0 BGAERP CCC[NH2+]CCC[C@H](C)[N@H+](CC(C)C)C1CC1 ZINC000052515829 169258056 /nfs/dbraw/zinc/25/80/56/169258056.db2.gz JUKVKFSIGGGFGA-AWEZNQCLSA-N 2 0 240.435 3.275 10 0 BGAERP CCC[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517399 169261140 /nfs/dbraw/zinc/26/11/40/169261140.db2.gz CQAFBFMEMMGFSZ-UKRRQHHQSA-N 2 0 238.419 3.029 10 0 BGAERP CCC[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517401 169263198 /nfs/dbraw/zinc/26/31/98/169263198.db2.gz CQAFBFMEMMGFSZ-DZGCQCFKSA-N 2 0 238.419 3.029 10 0 BGAERP C[NH2+]CCCCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517716 173345286 /nfs/dbraw/zinc/34/52/86/173345286.db2.gz KIZUKMGGGBIEII-OAHLLOKOSA-N 2 0 238.419 3.031 10 0 BGAERP C[NH2+]CCCCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000052517718 173345549 /nfs/dbraw/zinc/34/55/49/173345549.db2.gz KIZUKMGGGBIEII-HNNXBMFYSA-N 2 0 238.419 3.031 10 0 BGAERP C[C@@H](CC[NH2+]C1CC1)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546972 177087133 /nfs/dbraw/zinc/08/71/33/177087133.db2.gz FMTMTECHOLVIGN-KCQAQPDRSA-N 2 0 238.419 3.028 10 0 BGAERP Cc1ccccc1C[N@@H+](C)C[C@@H](C)C[NH2+]C(C)C ZINC000052547049 179270803 /nfs/dbraw/zinc/27/08/03/179270803.db2.gz WHJKCVDBZGPJKS-AWEZNQCLSA-N 2 0 248.414 3.061 10 0 BGAERP Cc1ccccc1C[N@@H+](C)C[C@H](C)C[NH2+]C(C)C ZINC000052547050 179270377 /nfs/dbraw/zinc/27/03/77/179270377.db2.gz WHJKCVDBZGPJKS-CQSZACIVSA-N 2 0 248.414 3.061 10 0 BGAERP CC(C)C[NH2+]C[C@@H](C(C)C)N(C)CC(C)(C)C ZINC000052547739 167004841 /nfs/dbraw/zinc/00/48/41/167004841.db2.gz YNFWTMUNJOMWHC-AWEZNQCLSA-N 2 0 242.451 3.235 10 0 BGAERP CC[NH2+]Cc1cccc(C[N@H+](C)CC(C)(C)C)c1 ZINC000052570055 170128399 /nfs/dbraw/zinc/12/83/99/170128399.db2.gz LFUHGHCEXCNLLJ-UHFFFAOYSA-N 2 0 248.414 3.274 10 0 BGAERP CC(C)C[C@@H](C)[N@H+](C)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571980 188126100 /nfs/dbraw/zinc/12/61/00/188126100.db2.gz YXNDVMJHCHDSBI-UONOGXRCSA-N 2 0 240.435 3.274 10 0 BGAERP C[NH2+]Cc1ccc(C[N@H+](C)[C@@H](C)CC(C)C)cc1 ZINC000052572018 188126527 /nfs/dbraw/zinc/12/65/27/188126527.db2.gz TUEHEMWMDLQQNQ-AWEZNQCLSA-N 2 0 248.414 3.272 10 0 BGAERP C[NH2+]Cc1ccccc1C[N@H+](CC(C)C)C(C)C ZINC000052572677 173390613 /nfs/dbraw/zinc/39/06/13/173390613.db2.gz LQIOGKXTILEWIG-UHFFFAOYSA-N 2 0 248.414 3.272 10 0 BGAERP C[NH2+]CCC[C@@H](C)n1cnc2cc(C)c(C)cc21 ZINC000052575671 173349839 /nfs/dbraw/zinc/34/98/39/173349839.db2.gz JURXVQXOLAXJFE-CYBMUJFWSA-N 2 0 245.370 3.214 10 0 BGAERP CC1CCC([N@H+](C)CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764432 168157595 /nfs/dbraw/zinc/15/75/95/168157595.db2.gz RRMFYCXXYDGDTN-SLTAFYQDSA-N 2 0 238.419 3.029 10 0 BGAERP CC1CCC([N@H+](C)CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764433 168157972 /nfs/dbraw/zinc/15/79/72/168157972.db2.gz RRMFYCXXYDGDTN-SHARSMKWSA-N 2 0 238.419 3.029 10 0 BGAERP C[C@@](N)(C[NH2+]C1(C)CCCCC1)c1ccccc1 ZINC000052883639 168063260 /nfs/dbraw/zinc/06/32/60/168063260.db2.gz HDJFUWNCRZZSFE-MRXNPFEDSA-N 2 0 246.398 3.173 10 0 BGAERP CCC[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000053012246 169262099 /nfs/dbraw/zinc/26/20/99/169262099.db2.gz YAEQWCHTKMMQRD-GJZGRUSLSA-N 2 0 246.398 3.069 10 0 BGAERP CCC[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000053012248 169264620 /nfs/dbraw/zinc/26/46/20/169264620.db2.gz YAEQWCHTKMMQRD-LSDHHAIUSA-N 2 0 246.398 3.069 10 0 BGAERP CCC[C@@H](CC)[N@@H+]1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000053034694 169375669 /nfs/dbraw/zinc/37/56/69/169375669.db2.gz OHPQUHLESODXLZ-HUUCEWRRSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[C@H](CC)[N@@H+]1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000053034696 169495948 /nfs/dbraw/zinc/49/59/48/169495948.db2.gz OHPQUHLESODXLZ-CABCVRRESA-N 2 0 240.435 3.133 10 0 BGAERP CCC(CC)[NH2+]CCN(C)C1CCCCCC1 ZINC000053385397 168387602 /nfs/dbraw/zinc/38/76/02/168387602.db2.gz LFYOWJVRRBEVQB-UHFFFAOYSA-N 2 0 240.435 3.419 10 0 BGAERP CCC(CC)[NH2+]CCN(C)[C@@H]1CCC[C@H](C)C1 ZINC000053426279 168386821 /nfs/dbraw/zinc/38/68/21/168386821.db2.gz NDBREQGQPORTLA-DZGCQCFKSA-N 2 0 240.435 3.275 10 0 BGAERP CCC(CC)[NH2+]CCN(C)[C@H]1CCC[C@H](C)C1 ZINC000053426282 168386752 /nfs/dbraw/zinc/38/67/52/168386752.db2.gz NDBREQGQPORTLA-ZFWWWQNUSA-N 2 0 240.435 3.275 10 0 BGAERP CCC(CC)[NH2+]CCN(C)C1CCC(C)CC1 ZINC000053443289 168387294 /nfs/dbraw/zinc/38/72/94/168387294.db2.gz UIXNPYIUONYPHX-UHFFFAOYSA-N 2 0 240.435 3.275 10 0 BGAERP CC[C@H](C)[NH2+]C[C@@H](C)N(CC)C1CCCCC1 ZINC000053487149 171341412 /nfs/dbraw/zinc/34/14/12/171341412.db2.gz MJZLQJNBZUTSFT-UONOGXRCSA-N 2 0 240.435 3.418 10 0 BGAERP CCC(CC)[NH2+]C[C@H](C)N1CCC[C@@H](CC)C1 ZINC000053491404 168388080 /nfs/dbraw/zinc/38/80/80/168388080.db2.gz GREKROUOCIROTA-UONOGXRCSA-N 2 0 240.435 3.275 10 0 BGAERP CCC(CC)[NH2+]C[C@H](C)N1CCC[C@H](CC)C1 ZINC000053491405 168388471 /nfs/dbraw/zinc/38/84/71/168388471.db2.gz GREKROUOCIROTA-KBPBESRZSA-N 2 0 240.435 3.275 10 0 BGAERP CCC(CC)[NH2+]C[C@@H](C)N(CC1CC1)C(C)C ZINC000053497947 168388454 /nfs/dbraw/zinc/38/84/54/168388454.db2.gz XHRQXVQCXCDAGA-CYBMUJFWSA-N 2 0 240.435 3.274 10 0 BGAERP CCC(CC)[NH2+]C[C@H](C)N(CC1CC1)C(C)C ZINC000053497948 168388369 /nfs/dbraw/zinc/38/83/69/168388369.db2.gz XHRQXVQCXCDAGA-ZDUSSCGKSA-N 2 0 240.435 3.274 10 0 BGAERP CC[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCCC1 ZINC000053499002 187272293 /nfs/dbraw/zinc/27/22/93/187272293.db2.gz YLROQDASRJLDCF-OAHLLOKOSA-N 2 0 238.419 3.173 10 0 BGAERP CC[C@H](C)[NH2+]C[C@@H](C)n1c(C)nc2ccccc21 ZINC000053523965 171341474 /nfs/dbraw/zinc/34/14/74/171341474.db2.gz STPNMACSCSAHPE-NWDGAFQWSA-N 2 0 245.370 3.294 10 0 BGAERP CC(C)C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC000053650134 167007291 /nfs/dbraw/zinc/00/72/91/167007291.db2.gz PIQKSUMSGYSTBQ-AWEZNQCLSA-N 2 0 240.435 3.133 10 0 BGAERP CC(C)C[NH2+]C[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC000053650136 167007696 /nfs/dbraw/zinc/00/76/96/167007696.db2.gz PIQKSUMSGYSTBQ-CQSZACIVSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+]C[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000053654803 169262692 /nfs/dbraw/zinc/26/26/92/169262692.db2.gz JHDBYYBKSGTPEV-AWEZNQCLSA-N 2 0 240.435 3.134 10 0 BGAERP CCC[NH2+]C[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000053654806 169264391 /nfs/dbraw/zinc/26/43/91/169264391.db2.gz JHDBYYBKSGTPEV-CQSZACIVSA-N 2 0 240.435 3.134 10 0 BGAERP CCCCC[N@@H+]1CCC[C@H](C[NH2+]CC(C)C)C1 ZINC000053657639 168697571 /nfs/dbraw/zinc/69/75/71/168697571.db2.gz HRWSNELDAQRMGX-OAHLLOKOSA-N 2 0 240.435 3.134 10 0 BGAERP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](C)[C@@H](C)C(C)C ZINC000053858214 170150366 /nfs/dbraw/zinc/15/03/66/170150366.db2.gz POWPYXYOQCLFGA-RRFJBIMHSA-N 2 0 240.435 3.131 10 0 BGAERP CC[NH2+][C@H]1CCCC[C@@H]1C[N@H+](C)[C@@H](C)C(C)C ZINC000053858215 170165588 /nfs/dbraw/zinc/16/55/88/170165588.db2.gz POWPYXYOQCLFGA-ZNMIVQPWSA-N 2 0 240.435 3.131 10 0 BGAERP CC[NH2+][C@@H]1CCCC[C@H]1C[N@H+](C)[C@@H](C)C(C)C ZINC000053858216 170150421 /nfs/dbraw/zinc/15/04/21/170150421.db2.gz POWPYXYOQCLFGA-SOUVJXGZSA-N 2 0 240.435 3.131 10 0 BGAERP CC[NH2+][C@H]1CCCC[C@H]1C[N@H+](C)[C@@H](C)C(C)C ZINC000053858217 170165779 /nfs/dbraw/zinc/16/57/79/170165779.db2.gz POWPYXYOQCLFGA-KKUMJFAQSA-N 2 0 240.435 3.131 10 0 BGAERP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](C)CC(C)(C)C ZINC000053859432 170150598 /nfs/dbraw/zinc/15/05/98/170150598.db2.gz JNZARSAFGUGKNI-ZIAGYGMSSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+][C@H]1CCCC[C@@H]1C[N@H+](C)CC(C)(C)C ZINC000053859433 170165909 /nfs/dbraw/zinc/16/59/09/170165909.db2.gz JNZARSAFGUGKNI-KGLIPLIRSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+][C@@H]1CCCC[C@H]1C[N@H+](C)CC(C)(C)C ZINC000053859434 170150150 /nfs/dbraw/zinc/15/01/50/170150150.db2.gz JNZARSAFGUGKNI-UONOGXRCSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+][C@H]1CCCC[C@H]1C[N@H+](C)CC(C)(C)C ZINC000053859435 170165618 /nfs/dbraw/zinc/16/56/18/170165618.db2.gz JNZARSAFGUGKNI-KBPBESRZSA-N 2 0 240.435 3.133 10 0 BGAERP CC1CCC([N@H+](C)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000053859550 168157654 /nfs/dbraw/zinc/15/76/54/168157654.db2.gz QDFHEKCQLFGUKQ-SHWKFHJASA-N 2 0 238.419 3.014 10 0 BGAERP CC1CCC([N@H+](C)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000053859551 168159800 /nfs/dbraw/zinc/15/98/00/168159800.db2.gz QDFHEKCQLFGUKQ-JYVUQVBGSA-N 2 0 238.419 3.014 10 0 BGAERP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](C)CCC(C)C ZINC000053859592 170150246 /nfs/dbraw/zinc/15/02/46/170150246.db2.gz BLJOGDNEXQOHOC-HUUCEWRRSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+][C@H]1CCCC[C@@H]1C[N@H+](C)CCC(C)C ZINC000053859593 170165642 /nfs/dbraw/zinc/16/56/42/170165642.db2.gz BLJOGDNEXQOHOC-CABCVRRESA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+][C@@H]1CCCC[C@H]1C[N@H+](C)CCC(C)C ZINC000053859594 170150376 /nfs/dbraw/zinc/15/03/76/170150376.db2.gz BLJOGDNEXQOHOC-LSDHHAIUSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+][C@H]1CCCC[C@H]1C[N@H+](C)CCC(C)C ZINC000053859595 170166219 /nfs/dbraw/zinc/16/62/19/170166219.db2.gz BLJOGDNEXQOHOC-GJZGRUSLSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1C[NH+]1CCCC1 ZINC000053861133 169281857 /nfs/dbraw/zinc/28/18/57/169281857.db2.gz BKJYDEUYIWSWHO-HUUCEWRRSA-N 2 0 238.419 3.031 10 0 BGAERP CCC[NH2+][C@H]1CCCCC[C@@H]1C[NH+]1CCCC1 ZINC000053861134 169290513 /nfs/dbraw/zinc/29/05/13/169290513.db2.gz BKJYDEUYIWSWHO-CABCVRRESA-N 2 0 238.419 3.031 10 0 BGAERP CCC[NH2+][C@@H]1CCCCC[C@H]1C[NH+]1CCCC1 ZINC000053861135 169281879 /nfs/dbraw/zinc/28/18/79/169281879.db2.gz BKJYDEUYIWSWHO-LSDHHAIUSA-N 2 0 238.419 3.031 10 0 BGAERP CCC[NH2+][C@H]1CCCCC[C@H]1C[NH+]1CCCC1 ZINC000053861136 169290769 /nfs/dbraw/zinc/29/07/69/169290769.db2.gz BKJYDEUYIWSWHO-GJZGRUSLSA-N 2 0 238.419 3.031 10 0 BGAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1C[NH+](CC)CC ZINC000053861431 169282001 /nfs/dbraw/zinc/28/20/01/169282001.db2.gz RBKFTIUTHLONSC-HUUCEWRRSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+][C@H]1CCCCC[C@@H]1C[NH+](CC)CC ZINC000053861432 169290785 /nfs/dbraw/zinc/29/07/85/169290785.db2.gz RBKFTIUTHLONSC-CABCVRRESA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+][C@@H]1CCCCC[C@H]1C[NH+](CC)CC ZINC000053861433 169282300 /nfs/dbraw/zinc/28/23/00/169282300.db2.gz RBKFTIUTHLONSC-LSDHHAIUSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+][C@H]1CCCCC[C@H]1C[NH+](CC)CC ZINC000053861435 169291157 /nfs/dbraw/zinc/29/11/57/169291157.db2.gz RBKFTIUTHLONSC-GJZGRUSLSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH+](CCC)C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000053862603 169149002 /nfs/dbraw/zinc/14/90/02/169149002.db2.gz YBJVYDKRVIFPHT-KBPBESRZSA-N 2 0 226.408 3.016 10 0 BGAERP CCC[NH+](CCC)C[C@H]1CCCCC[C@@H]1[NH3+] ZINC000053862604 169149502 /nfs/dbraw/zinc/14/95/02/169149502.db2.gz YBJVYDKRVIFPHT-KGLIPLIRSA-N 2 0 226.408 3.016 10 0 BGAERP CCC[NH+](CCC)C[C@@H]1CCCCC[C@H]1[NH3+] ZINC000053862606 169148451 /nfs/dbraw/zinc/14/84/51/169148451.db2.gz YBJVYDKRVIFPHT-UONOGXRCSA-N 2 0 226.408 3.016 10 0 BGAERP CCC[NH+](CCC)C[C@H]1CCCCC[C@H]1[NH3+] ZINC000053862608 169149124 /nfs/dbraw/zinc/14/91/24/169149124.db2.gz YBJVYDKRVIFPHT-ZIAGYGMSSA-N 2 0 226.408 3.016 10 0 BGAERP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000053862863 188170704 /nfs/dbraw/zinc/17/07/04/188170704.db2.gz SXBKNMOZDIBBLH-HOTGVXAUSA-N 2 0 246.398 3.024 10 0 BGAERP CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCC[C@@H]1[NH3+] ZINC000053862865 187311357 /nfs/dbraw/zinc/31/13/57/187311357.db2.gz SXBKNMOZDIBBLH-CVEARBPZSA-N 2 0 246.398 3.024 10 0 BGAERP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+](C)C2CCCCC2)C1 ZINC000053863502 176229127 /nfs/dbraw/zinc/22/91/27/176229127.db2.gz BENWFNHEGZUTIA-IPYPFGDCSA-N 2 0 238.419 3.014 10 0 BGAERP C[C@@H]1CC[C@H]([NH3+])[C@H](C[NH+]2CCCCCCC2)C1 ZINC000053864102 176229486 /nfs/dbraw/zinc/22/94/86/176229486.db2.gz GBDYEZPDRVCUQU-ILXRZTDVSA-N 2 0 238.419 3.016 10 0 BGAERP C[C@@H]1CC[C@@H]([NH3+])[C@H](C[NH+]2CCCCCCC2)C1 ZINC000053864107 176208949 /nfs/dbraw/zinc/20/89/49/176208949.db2.gz GBDYEZPDRVCUQU-QLFBSQMISA-N 2 0 238.419 3.016 10 0 BGAERP CC[C@H](C)[N@H+](C)C[C@@H]1C[C@H](CC)CC[C@@H]1[NH2+]C ZINC000053864934 171308342 /nfs/dbraw/zinc/30/83/42/171308342.db2.gz KSUPPTRANNNMDP-XGUBFFRZSA-N 2 0 240.435 3.131 10 0 BGAERP CCC[N@H+](CC)C[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC ZINC000053865024 169124534 /nfs/dbraw/zinc/12/45/34/169124534.db2.gz LDGSSWJZIVDSCC-ILXRZTDVSA-N 2 0 240.435 3.133 10 0 BGAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+](CC)CC(C)C)C1 ZINC000053865122 171056668 /nfs/dbraw/zinc/05/66/68/171056668.db2.gz ZRBAFTVAKKZPHM-ILXRZTDVSA-N 2 0 240.435 3.118 10 0 BGAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@H+](CC)CC(C)C)C1 ZINC000053865126 171040691 /nfs/dbraw/zinc/04/06/91/171040691.db2.gz ZRBAFTVAKKZPHM-QLFBSQMISA-N 2 0 240.435 3.118 10 0 BGAERP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1C[N@H+](C)CC ZINC000053865211 169282745 /nfs/dbraw/zinc/28/27/45/169282745.db2.gz UFMOWDWKKMDRPG-RRFJBIMHSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1C[N@H+](C)CC ZINC000053865212 169292912 /nfs/dbraw/zinc/29/29/12/169292912.db2.gz UFMOWDWKKMDRPG-ZNMIVQPWSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1C[N@H+](C)CC ZINC000053865213 169282648 /nfs/dbraw/zinc/28/26/48/169282648.db2.gz UFMOWDWKKMDRPG-RBSFLKMASA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1C[N@H+](C)CC ZINC000053865214 169292276 /nfs/dbraw/zinc/29/22/76/169292276.db2.gz UFMOWDWKKMDRPG-KFWWJZLASA-N 2 0 240.435 3.133 10 0 BGAERP CCC[N@H+](C)C[C@@H]1C[C@H](CC)CC[C@@H]1[NH2+]CC ZINC000053865632 169079666 /nfs/dbraw/zinc/07/96/66/169079666.db2.gz PORKPEDELDPAPQ-ILXRZTDVSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[N@H+](C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000053865658 169078482 /nfs/dbraw/zinc/07/84/82/169078482.db2.gz VSISGYZVMBVKQV-MJBXVCDLSA-N 2 0 240.435 3.118 10 0 BGAERP CC[C@H](C)[N@H+](CC)C[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] ZINC000053865843 171311863 /nfs/dbraw/zinc/31/18/63/171311863.db2.gz CKGCQHLSOSSRIV-XGUBFFRZSA-N 2 0 240.435 3.260 10 0 BGAERP CCC[N@H+](C[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+])C(C)C ZINC000053865877 188300164 /nfs/dbraw/zinc/30/01/64/188300164.db2.gz DTNUWCUKBIHQIB-ILXRZTDVSA-N 2 0 240.435 3.260 10 0 BGAERP CCC(CC)[N@H+](C)C[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C ZINC000053866879 168369393 /nfs/dbraw/zinc/36/93/93/168369393.db2.gz QHZRNHWZLGXNDJ-IPYPFGDCSA-N 2 0 240.435 3.131 10 0 BGAERP C[C@H]([N@H+](C)C[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+])C(C)(C)C ZINC000053871397 177203499 /nfs/dbraw/zinc/20/34/99/177203499.db2.gz VYKHNCXUMRPHOD-XUXIUFHCSA-N 2 0 240.435 3.116 10 0 BGAERP CCC[N@H+](CC1CC1)C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000053872756 169138637 /nfs/dbraw/zinc/13/86/37/169138637.db2.gz IXQSYVXRUDCNLF-GJZGRUSLSA-N 2 0 238.419 3.016 10 0 BGAERP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](C)CC(C)(C)C ZINC000053877735 169282265 /nfs/dbraw/zinc/28/22/65/169282265.db2.gz CFKOKRZBYDWBOX-ZIAGYGMSSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@H]1CCC[C@@H]1C[N@H+](C)CC(C)(C)C ZINC000053877737 169290388 /nfs/dbraw/zinc/29/03/88/169290388.db2.gz CFKOKRZBYDWBOX-KGLIPLIRSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@@H]1CCC[C@H]1C[N@H+](C)CC(C)(C)C ZINC000053877739 169282017 /nfs/dbraw/zinc/28/20/17/169282017.db2.gz CFKOKRZBYDWBOX-UONOGXRCSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@H]1CCC[C@H]1C[N@H+](C)CC(C)(C)C ZINC000053877741 169292023 /nfs/dbraw/zinc/29/20/23/169292023.db2.gz CFKOKRZBYDWBOX-KBPBESRZSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+][C@@H](CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000053932040 170145203 /nfs/dbraw/zinc/14/52/03/170145203.db2.gz RQNRFHJMICJJQZ-HOCLYGCPSA-N 2 0 246.398 3.212 10 0 BGAERP CC[NH2+][C@H](CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000053932042 170161961 /nfs/dbraw/zinc/16/19/61/170161961.db2.gz RQNRFHJMICJJQZ-GOEBONIOSA-N 2 0 246.398 3.212 10 0 BGAERP CCC[NH2+][C@@H](CC[NH+](CC)CC)c1ccccc1 ZINC000053932193 169278038 /nfs/dbraw/zinc/27/80/38/169278038.db2.gz DKGMMGZBUGNZTI-INIZCTEOSA-N 2 0 248.414 3.459 10 0 BGAERP CCC[NH2+][C@H](CC[NH+](CC)CC)c1ccccc1 ZINC000053932195 169288756 /nfs/dbraw/zinc/28/87/56/169288756.db2.gz DKGMMGZBUGNZTI-MRXNPFEDSA-N 2 0 248.414 3.459 10 0 BGAERP CC[NH2+][C@@H](CC[NH+]1CCCCC1)c1ccccc1 ZINC000053932310 170144941 /nfs/dbraw/zinc/14/49/41/170144941.db2.gz DYHHVDADNZLUCG-INIZCTEOSA-N 2 0 246.398 3.213 10 0 BGAERP CC[NH2+][C@H](CC[NH+]1CCCCC1)c1ccccc1 ZINC000053932312 170161718 /nfs/dbraw/zinc/16/17/18/170161718.db2.gz DYHHVDADNZLUCG-MRXNPFEDSA-N 2 0 246.398 3.213 10 0 BGAERP CC[NH2+][C@@H](CC[N@H+](C)[C@H](C)CC)c1ccccc1 ZINC000053932716 170145085 /nfs/dbraw/zinc/14/50/85/170145085.db2.gz AAIOKXYVQUALJT-ZBFHGGJFSA-N 2 0 248.414 3.458 10 0 BGAERP CC[NH2+][C@@H](CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC000053932718 170145361 /nfs/dbraw/zinc/14/53/61/170145361.db2.gz AAIOKXYVQUALJT-HOCLYGCPSA-N 2 0 248.414 3.458 10 0 BGAERP CC[NH2+][C@@H](CC[N@H+](CC)C(C)C)c1ccccc1 ZINC000053932852 170145532 /nfs/dbraw/zinc/14/55/32/170145532.db2.gz AOJPLGRRRRNQKC-INIZCTEOSA-N 2 0 248.414 3.458 10 0 BGAERP CC[NH2+][C@H](CC[N@H+](CC)C(C)C)c1ccccc1 ZINC000053932854 170161820 /nfs/dbraw/zinc/16/18/20/170161820.db2.gz AOJPLGRRRRNQKC-MRXNPFEDSA-N 2 0 248.414 3.458 10 0 BGAERP CC[NH2+][C@@H](CC[N@H+](C)CC(C)C)c1ccccc1 ZINC000053932933 170145166 /nfs/dbraw/zinc/14/51/66/170145166.db2.gz SWNMDTYQZATKAR-INIZCTEOSA-N 2 0 248.414 3.315 10 0 BGAERP CC[NH2+][C@H](CC[N@H+](C)CC(C)C)c1ccccc1 ZINC000053932935 170161554 /nfs/dbraw/zinc/16/15/54/170161554.db2.gz SWNMDTYQZATKAR-MRXNPFEDSA-N 2 0 248.414 3.315 10 0 BGAERP CCC[N@H+](CC[C@H]([NH2+]C)c1ccccc1)C(C)C ZINC000053932973 169170200 /nfs/dbraw/zinc/17/02/00/169170200.db2.gz PERARGXSBPRRDM-INIZCTEOSA-N 2 0 248.414 3.458 10 0 BGAERP CCC[N@H+](CC[C@@H]([NH2+]C)c1ccccc1)C(C)C ZINC000053932974 169170954 /nfs/dbraw/zinc/17/09/54/169170954.db2.gz PERARGXSBPRRDM-MRXNPFEDSA-N 2 0 248.414 3.458 10 0 BGAERP CCC[N@H+](CC[C@H]([NH2+]C)c1ccccc1)C1CC1 ZINC000053932999 169171034 /nfs/dbraw/zinc/17/10/34/169171034.db2.gz ZUQZDYRRAYQGSE-INIZCTEOSA-N 2 0 246.398 3.212 10 0 BGAERP CCC[N@H+](CC[C@@H]([NH2+]C)c1ccccc1)C1CC1 ZINC000053933002 169170734 /nfs/dbraw/zinc/17/07/34/169170734.db2.gz ZUQZDYRRAYQGSE-MRXNPFEDSA-N 2 0 246.398 3.212 10 0 BGAERP CC[C@H](C)[N@H+](C)C[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000053938829 171308314 /nfs/dbraw/zinc/30/83/14/171308314.db2.gz SPMCAGXVAANTGY-IPYPFGDCSA-N 2 0 234.387 3.053 10 0 BGAERP CCC[N@H+](CC)C[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000053938881 169125853 /nfs/dbraw/zinc/12/58/53/169125853.db2.gz JHUACKQZBWSQET-HIFRSBDPSA-N 2 0 234.387 3.054 10 0 BGAERP CCC[NH2+][C@@H](CC[N@H+](C)CC)c1ccc(C)cc1 ZINC000053938986 169277696 /nfs/dbraw/zinc/27/76/96/169277696.db2.gz IUFXZYXVQAJWSV-INIZCTEOSA-N 2 0 248.414 3.378 10 0 BGAERP CCC[NH2+][C@H](CC[N@H+](C)CC)c1ccc(C)cc1 ZINC000053938989 169288861 /nfs/dbraw/zinc/28/88/61/169288861.db2.gz IUFXZYXVQAJWSV-MRXNPFEDSA-N 2 0 248.414 3.378 10 0 BGAERP Cc1ccccc1[C@H]([NH3+])CC[NH+]1CCC(C)CC1 ZINC000054015429 179344088 /nfs/dbraw/zinc/34/40/88/179344088.db2.gz HRHGUGAJAKDKMK-MRXNPFEDSA-N 2 0 246.398 3.117 10 0 BGAERP Cc1ccccc1[C@@H]([NH3+])CC[NH+]1CCC(C)CC1 ZINC000054015431 179324432 /nfs/dbraw/zinc/32/44/32/179324432.db2.gz HRHGUGAJAKDKMK-INIZCTEOSA-N 2 0 246.398 3.117 10 0 BGAERP CC[NH2+][C@@H](CC[NH+](CC)CC)c1cccc(C)c1 ZINC000054015592 170145218 /nfs/dbraw/zinc/14/52/18/170145218.db2.gz JOZWPISGKKLJRG-INIZCTEOSA-N 2 0 248.414 3.378 10 0 BGAERP CC[NH2+][C@H](CC[NH+](CC)CC)c1cccc(C)c1 ZINC000054015594 170161523 /nfs/dbraw/zinc/16/15/23/170161523.db2.gz JOZWPISGKKLJRG-MRXNPFEDSA-N 2 0 248.414 3.378 10 0 BGAERP Cc1ccccc1[C@H]([NH3+])CC[N@H+]1CCCC[C@@H]1C ZINC000054015650 179343133 /nfs/dbraw/zinc/34/31/33/179343133.db2.gz VVOISETUXSWICM-GOEBONIOSA-N 2 0 246.398 3.259 10 0 BGAERP Cc1ccccc1[C@@H]([NH3+])CC[N@H+]1CCCC[C@@H]1C ZINC000054015652 179325528 /nfs/dbraw/zinc/32/55/28/179325528.db2.gz VVOISETUXSWICM-HOCLYGCPSA-N 2 0 246.398 3.259 10 0 BGAERP Cc1ccccc1[C@H]([NH3+])CC[N@H+]1CCC[C@H](C)C1 ZINC000054015865 179343070 /nfs/dbraw/zinc/34/30/70/179343070.db2.gz NQYHGDWXWZJCPP-XJKSGUPXSA-N 2 0 246.398 3.117 10 0 BGAERP Cc1ccccc1[C@@H]([NH3+])CC[N@H+]1CCC[C@H](C)C1 ZINC000054015867 179324802 /nfs/dbraw/zinc/32/48/02/179324802.db2.gz NQYHGDWXWZJCPP-BBRMVZONSA-N 2 0 246.398 3.117 10 0 BGAERP Cc1ccccc1[C@H]([NH3+])CC[NH+]1CCCCCC1 ZINC000054015910 179343091 /nfs/dbraw/zinc/34/30/91/179343091.db2.gz FWKBEKJJOQWONA-MRXNPFEDSA-N 2 0 246.398 3.261 10 0 BGAERP Cc1ccccc1[C@@H]([NH3+])CC[NH+]1CCCCCC1 ZINC000054015912 179324100 /nfs/dbraw/zinc/32/41/00/179324100.db2.gz FWKBEKJJOQWONA-INIZCTEOSA-N 2 0 246.398 3.261 10 0 BGAERP CC[NH2+][C@@H](CC[N@@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000054027055 170145602 /nfs/dbraw/zinc/14/56/02/170145602.db2.gz NUYCKSTZBIHQSI-KBPBESRZSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+][C@H](CC[N@@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000054027057 170161509 /nfs/dbraw/zinc/16/15/09/170161509.db2.gz NUYCKSTZBIHQSI-UONOGXRCSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@@H](CC[NH+]1CCCCC1)C(C)(C)C ZINC000054027118 169278319 /nfs/dbraw/zinc/27/83/19/169278319.db2.gz YVABPVQIFVPAJE-AWEZNQCLSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+][C@H](CC[NH+]1CCCCC1)C(C)(C)C ZINC000054027120 169289195 /nfs/dbraw/zinc/28/91/95/169289195.db2.gz YVABPVQIFVPAJE-CQSZACIVSA-N 2 0 240.435 3.277 10 0 BGAERP CC(C)(C)[C@@H]([NH3+])CC[NH+]1CCCCCCC1 ZINC000054027358 166696551 /nfs/dbraw/zinc/69/65/51/166696551.db2.gz UZAKUYWMWRKMMZ-ZDUSSCGKSA-N 2 0 226.408 3.016 10 0 BGAERP CC[NH2+][C@@H](CC[N@H+](CC)CC(C)C)C(C)(C)C ZINC000054027497 170145209 /nfs/dbraw/zinc/14/52/09/170145209.db2.gz VCMNXIOSMSQSFG-AWEZNQCLSA-N 2 0 242.451 3.379 10 0 BGAERP CC[NH2+][C@H](CC[N@H+](CC)CC(C)C)C(C)(C)C ZINC000054027499 170161923 /nfs/dbraw/zinc/16/19/23/170161923.db2.gz VCMNXIOSMSQSFG-CQSZACIVSA-N 2 0 242.451 3.379 10 0 BGAERP CCC[NH2+][C@@H](CC[N@H+](C)CC(C)C)C(C)(C)C ZINC000054027619 169278107 /nfs/dbraw/zinc/27/81/07/169278107.db2.gz ARCPGKINTWQRGO-AWEZNQCLSA-N 2 0 242.451 3.379 10 0 BGAERP CCC[NH2+][C@H](CC[N@H+](C)CC(C)C)C(C)(C)C ZINC000054027621 169289098 /nfs/dbraw/zinc/28/90/98/169289098.db2.gz ARCPGKINTWQRGO-CQSZACIVSA-N 2 0 242.451 3.379 10 0 BGAERP CCC1CC[NH+](CC[C@@H]([NH2+]C)C(C)(C)C)CC1 ZINC000054046406 168528153 /nfs/dbraw/zinc/52/81/53/168528153.db2.gz GNCBNGDAQXGHFD-CQSZACIVSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H](C)CC)CC1 ZINC000054467906 169191945 /nfs/dbraw/zinc/19/19/45/169191945.db2.gz WLYZCOVUOBGVND-UONOGXRCSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](C)CC)CC1 ZINC000054467908 169190909 /nfs/dbraw/zinc/19/09/09/169190909.db2.gz WLYZCOVUOBGVND-KBPBESRZSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](C)CC)CC1 ZINC000054467910 169191943 /nfs/dbraw/zinc/19/19/43/169191943.db2.gz WLYZCOVUOBGVND-ZIAGYGMSSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H](C)CC)CC1 ZINC000054467912 169190845 /nfs/dbraw/zinc/19/08/45/169190845.db2.gz WLYZCOVUOBGVND-KGLIPLIRSA-N 2 0 240.435 3.133 10 0 BGAERP CC[C@H](C)[N@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054559700 171308612 /nfs/dbraw/zinc/30/86/12/171308612.db2.gz FUGSBOKOOKHHJL-XGUBFFRZSA-N 2 0 240.435 3.116 10 0 BGAERP C[C@@H](c1ccccc1)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601338 176021702 /nfs/dbraw/zinc/02/17/02/176021702.db2.gz BZCBXWJMJUXVIL-WWTUQBGBSA-N 2 0 244.382 3.092 10 0 BGAERP C[C@H](c1ccccc1)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601339 177039860 /nfs/dbraw/zinc/03/98/60/177039860.db2.gz BZCBXWJMJUXVIL-OHRKKDJYSA-N 2 0 244.382 3.092 10 0 BGAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)(C)C ZINC000054602354 170109198 /nfs/dbraw/zinc/10/91/98/170109198.db2.gz SFQPGZLHPMYIFO-AGUYFDCRSA-N 2 0 238.419 3.028 10 0 BGAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C(CC)CC ZINC000054603363 169256129 /nfs/dbraw/zinc/25/61/29/169256129.db2.gz JLBXVENUHSTWRZ-LQDVMPOASA-N 2 0 238.419 3.170 10 0 BGAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)(C)CC ZINC000054626538 169256220 /nfs/dbraw/zinc/25/62/20/169256220.db2.gz KTJRDTFCZXIQPW-AGUYFDCRSA-N 2 0 238.419 3.170 10 0 BGAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)(C)C ZINC000054628705 169256075 /nfs/dbraw/zinc/25/60/75/169256075.db2.gz QUGRPQAJZHGMOC-AGUYFDCRSA-N 2 0 238.419 3.028 10 0 BGAERP CCC[NH+](CCC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055015082 169151077 /nfs/dbraw/zinc/15/10/77/169151077.db2.gz VGRAXGXTCXGBAM-HNNXBMFYSA-N 2 0 234.387 3.199 10 0 BGAERP CCC[NH+](CCC)[C@H](CC[NH3+])c1ccccc1 ZINC000055015084 169152400 /nfs/dbraw/zinc/15/24/00/169152400.db2.gz VGRAXGXTCXGBAM-OAHLLOKOSA-N 2 0 234.387 3.199 10 0 BGAERP CCC[NH+](CCC)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055022379 169151133 /nfs/dbraw/zinc/15/11/33/169151133.db2.gz BRHUPEDAAXUURR-AWEZNQCLSA-N 2 0 247.386 3.176 10 0 BGAERP CCC[NH+](CCC)[C@H](CC(N)=[NH2+])c1ccccc1 ZINC000055022381 169152204 /nfs/dbraw/zinc/15/22/04/169152204.db2.gz BRHUPEDAAXUURR-CQSZACIVSA-N 2 0 247.386 3.176 10 0 BGAERP C[C@@H](c1cccs1)[N@H+](C)C1CCC([NH3+])CC1 ZINC000055144560 176033510 /nfs/dbraw/zinc/03/35/10/176033510.db2.gz DFBRSIQTZWFOIH-UNXYVOJBSA-N 2 0 238.400 3.011 10 0 BGAERP C[C@H](c1cccs1)[N@H+](C)C1CCC([NH3+])CC1 ZINC000055144563 177049155 /nfs/dbraw/zinc/04/91/55/177049155.db2.gz DFBRSIQTZWFOIH-VOMCLLRMSA-N 2 0 238.400 3.011 10 0 BGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C ZINC000058058412 177117248 /nfs/dbraw/zinc/11/72/48/177117248.db2.gz LPNJYUJZSMYXHB-XQQFMLRXSA-N 2 0 226.408 3.013 10 0 BGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CC[C@H]([NH3+])C(C)(C)C ZINC000058058418 176115357 /nfs/dbraw/zinc/11/53/57/176115357.db2.gz LPNJYUJZSMYXHB-UPJWGTAASA-N 2 0 226.408 3.013 10 0 BGAERP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000058082459 177117511 /nfs/dbraw/zinc/11/75/11/177117511.db2.gz XZGZQYAQHNXWSC-XGUBFFRZSA-N 2 0 238.419 3.157 10 0 BGAERP C[C@H]1CCC[C@H](C)[NH+]1C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000058082466 177132503 /nfs/dbraw/zinc/13/25/03/177132503.db2.gz XZGZQYAQHNXWSC-AJNGGQMLSA-N 2 0 238.419 3.157 10 0 BGAERP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000058082473 176116021 /nfs/dbraw/zinc/11/60/21/176116021.db2.gz XZGZQYAQHNXWSC-KBXIAJHMSA-N 2 0 238.419 3.157 10 0 BGAERP CC(C)(C)CC[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000059015921 166570589 /nfs/dbraw/zinc/57/05/89/166570589.db2.gz NALLLCODJQQEJX-UHFFFAOYSA-N 2 0 240.435 3.321 10 0 BGAERP C[NH+](C)Cc1ccccc1C[NH2+]CCC(C)(C)C ZINC000059382894 172504378 /nfs/dbraw/zinc/50/43/78/172504378.db2.gz HVTUGYYZWZKHGI-UHFFFAOYSA-N 2 0 248.414 3.274 10 0 BGAERP CC[NH2+]C[C@@H](C)C[N@H+](Cc1ccccc1)C(C)C ZINC000060403803 170119153 /nfs/dbraw/zinc/11/91/53/170119153.db2.gz XGWVDURSSUZPBJ-OAHLLOKOSA-N 2 0 248.414 3.143 10 0 BGAERP CC[NH2+]C[C@H](C)C[N@H+](Cc1ccccc1)C(C)C ZINC000060403805 170121838 /nfs/dbraw/zinc/12/18/38/170121838.db2.gz XGWVDURSSUZPBJ-HNNXBMFYSA-N 2 0 248.414 3.143 10 0 BGAERP CC[NH2+][C@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]1CC ZINC000060720525 170165554 /nfs/dbraw/zinc/16/55/54/170165554.db2.gz YMFMTUMIJBGNBK-KKUMJFAQSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+]1CCCC[C@@H]1C ZINC000060720704 170150664 /nfs/dbraw/zinc/15/06/64/170150664.db2.gz SXEUHUFWGUPKPU-RRFJBIMHSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+]1CCCC[C@@H]1C ZINC000060720705 170165612 /nfs/dbraw/zinc/16/56/12/170165612.db2.gz SXEUHUFWGUPKPU-ZNMIVQPWSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+]1CCCC[C@@H]1C ZINC000060720706 170150910 /nfs/dbraw/zinc/15/09/10/170150910.db2.gz SXEUHUFWGUPKPU-SOUVJXGZSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@H]1CCCC[C@H]1C[N@@H+]1CCCC[C@@H]1C ZINC000060720707 170166072 /nfs/dbraw/zinc/16/60/72/170166072.db2.gz SXEUHUFWGUPKPU-KKUMJFAQSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@@H]1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000060720766 170150439 /nfs/dbraw/zinc/15/04/39/170150439.db2.gz SBPUJBNRUCSQDP-HUUCEWRRSA-N 2 0 238.419 3.031 10 0 BGAERP CC[NH2+][C@H]1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000060720767 170165719 /nfs/dbraw/zinc/16/57/19/170165719.db2.gz SBPUJBNRUCSQDP-CABCVRRESA-N 2 0 238.419 3.031 10 0 BGAERP CC[NH2+][C@@H]1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000060720768 170150623 /nfs/dbraw/zinc/15/06/23/170150623.db2.gz SBPUJBNRUCSQDP-LSDHHAIUSA-N 2 0 238.419 3.031 10 0 BGAERP CC[NH2+][C@H]1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000060720769 170166277 /nfs/dbraw/zinc/16/62/77/170166277.db2.gz SBPUJBNRUCSQDP-GJZGRUSLSA-N 2 0 238.419 3.031 10 0 BGAERP CCC[NH+](CCC)C[C@@H]1CCCC[C@@H]1[NH2+]CC ZINC000060743306 169148721 /nfs/dbraw/zinc/14/87/21/169148721.db2.gz RJCXSCWKCNZBAY-GJZGRUSLSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH+](CCC)C[C@H]1CCCC[C@@H]1[NH2+]CC ZINC000060743307 169148392 /nfs/dbraw/zinc/14/83/92/169148392.db2.gz RJCXSCWKCNZBAY-CABCVRRESA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH+](CCC)C[C@@H]1CCCC[C@H]1[NH2+]CC ZINC000060743309 169149359 /nfs/dbraw/zinc/14/93/59/169149359.db2.gz RJCXSCWKCNZBAY-LSDHHAIUSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH+](CCC)C[C@H]1CCCC[C@H]1[NH2+]CC ZINC000060743310 169148654 /nfs/dbraw/zinc/14/86/54/169148654.db2.gz RJCXSCWKCNZBAY-HUUCEWRRSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](CC)CCC ZINC000060743986 169281931 /nfs/dbraw/zinc/28/19/31/169281931.db2.gz XCKSSSMUHQIOHB-HUUCEWRRSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+][C@H]1CCCC[C@@H]1C[N@H+](CC)CCC ZINC000060743988 169290750 /nfs/dbraw/zinc/29/07/50/169290750.db2.gz XCKSSSMUHQIOHB-CABCVRRESA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+][C@@H]1CCCC[C@H]1C[N@H+](CC)CCC ZINC000060743991 169282023 /nfs/dbraw/zinc/28/20/23/169282023.db2.gz XCKSSSMUHQIOHB-LSDHHAIUSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+][C@H]1CCCC[C@H]1C[N@H+](CC)CCC ZINC000060743993 169290367 /nfs/dbraw/zinc/29/03/67/169290367.db2.gz XCKSSSMUHQIOHB-GJZGRUSLSA-N 2 0 240.435 3.277 10 0 BGAERP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](C)C1CCCC1 ZINC000060744221 170150163 /nfs/dbraw/zinc/15/01/63/170150163.db2.gz SHSRMGCDKYNYMU-UKRRQHHQSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@H]1CCCC[C@@H]1C[N@H+](C)C1CCCC1 ZINC000060744223 170166271 /nfs/dbraw/zinc/16/62/71/170166271.db2.gz SHSRMGCDKYNYMU-HIFRSBDPSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@@H]1CCCC[C@H]1C[N@H+](C)C1CCCC1 ZINC000060744226 170150925 /nfs/dbraw/zinc/15/09/25/170150925.db2.gz SHSRMGCDKYNYMU-DZGCQCFKSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@H]1CCCC[C@H]1C[N@H+](C)C1CCCC1 ZINC000060744229 170165828 /nfs/dbraw/zinc/16/58/28/170165828.db2.gz SHSRMGCDKYNYMU-ZFWWWQNUSA-N 2 0 238.419 3.029 10 0 BGAERP CC(C)[NH2+]CC(C)(C)C[NH+]1CCC(C)(C)CC1 ZINC000061822416 167097509 /nfs/dbraw/zinc/09/75/09/167097509.db2.gz GJNWHYPVUVOSTC-UHFFFAOYSA-N 2 0 240.435 3.133 10 0 BGAERP CCC(CC)(C[NH2+]C)C[NH+]1CCC(C)(C)CC1 ZINC000061822420 168325213 /nfs/dbraw/zinc/32/52/13/168325213.db2.gz ZXXCHHPAMMJBDZ-UHFFFAOYSA-N 2 0 240.435 3.134 10 0 BGAERP C[NH2+]CC[C@H](C)[NH+]1CCC2(CCCCC2)CC1 ZINC000061822923 173358126 /nfs/dbraw/zinc/35/81/26/173358126.db2.gz QETRGSORLFCYSA-AWEZNQCLSA-N 2 0 238.419 3.031 10 0 BGAERP C[NH2+]CC[C@@H](C)[NH+]1CCC2(CCCCC2)CC1 ZINC000061822924 173357332 /nfs/dbraw/zinc/35/73/32/173357332.db2.gz QETRGSORLFCYSA-CQSZACIVSA-N 2 0 238.419 3.031 10 0 BGAERP CC(C)[NH2+]CCCCC[NH+]1CCC(C)(C)CC1 ZINC000061823252 167102140 /nfs/dbraw/zinc/10/21/40/167102140.db2.gz RULOSHHCHHMOKT-UHFFFAOYSA-N 2 0 240.435 3.277 10 0 BGAERP C[C@@H](CC[NH2+]C(C)(C)C)[NH+]1CCC(C)(C)CC1 ZINC000061823320 175675774 /nfs/dbraw/zinc/67/57/74/175675774.db2.gz WDQHPHVHSPUMHL-ZDUSSCGKSA-N 2 0 240.435 3.275 10 0 BGAERP CC[C@@H]1CC[N@H+](CCCC(C)C)C[C@H](C)C[NH2+]1 ZINC000062097615 171013001 /nfs/dbraw/zinc/01/30/01/171013001.db2.gz VIEZQLPTDUPAPT-HUUCEWRRSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@@H]1CC[N@H+](CCCC(C)C)[C@H](C)C1 ZINC000062097979 169282355 /nfs/dbraw/zinc/28/23/55/169282355.db2.gz NWXBFUYTANNVAW-HUUCEWRRSA-N 2 0 240.435 3.275 10 0 BGAERP CCC[NH2+][C@H]1CC[N@H+](CCCC(C)C)[C@H](C)C1 ZINC000062097982 169292051 /nfs/dbraw/zinc/29/20/51/169292051.db2.gz NWXBFUYTANNVAW-CABCVRRESA-N 2 0 240.435 3.275 10 0 BGAERP CCCC1(C[N@H+](C)[C@H](C)C(C)C)CC[NH2+]CC1 ZINC000062850704 187273553 /nfs/dbraw/zinc/27/35/53/187273553.db2.gz PADMSIRIXATOCW-CQSZACIVSA-N 2 0 240.435 3.133 10 0 BGAERP CC[C@@]1(C[NH+]2CCCCCCC2)CCC[NH2+]C1 ZINC000062861854 171211836 /nfs/dbraw/zinc/21/18/36/171211836.db2.gz BXNAODHLALBMGS-OAHLLOKOSA-N 2 0 238.419 3.032 10 0 BGAERP CCC[N@H+](C[C@]1(CCC)CCC[NH2+]C1)C(C)C ZINC000062861930 169173557 /nfs/dbraw/zinc/17/35/57/169173557.db2.gz NGOFZFOMZCZLRU-OAHLLOKOSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[C@@]1(C[NH+]2CCCCCCC2)CC[NH2+]C1 ZINC000062911020 169460895 /nfs/dbraw/zinc/46/08/95/169460895.db2.gz PZCLLFOGYIQXLI-OAHLLOKOSA-N 2 0 238.419 3.032 10 0 BGAERP CCC[NH2+][C@@H](C)CC[NH+]1CCC(C)(CC)CC1 ZINC000062953143 169274714 /nfs/dbraw/zinc/27/47/14/169274714.db2.gz OYCRXQINAIKXOC-AWEZNQCLSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+][C@H](C)CC[NH+]1CCC(C)(CC)CC1 ZINC000062953144 169286126 /nfs/dbraw/zinc/28/61/26/169286126.db2.gz OYCRXQINAIKXOC-CQSZACIVSA-N 2 0 240.435 3.277 10 0 BGAERP CC(C)[NH2+]CCC[NH+]1CCC2(CCCC2)CC1 ZINC000062953677 167103035 /nfs/dbraw/zinc/10/30/35/167103035.db2.gz RCOUTMUKWMKNSZ-UHFFFAOYSA-N 2 0 238.419 3.031 10 0 BGAERP CCC(CC)(C[NH3+])C[NH+]1CCC(C)(CC)CC1 ZINC000062956971 168445316 /nfs/dbraw/zinc/44/53/16/168445316.db2.gz OOMXEULBUOHOIO-UHFFFAOYSA-N 2 0 240.435 3.264 10 0 BGAERP CC[NH2+]CCCCC[NH+]1CCC(C)(CC)CC1 ZINC000062958203 170112122 /nfs/dbraw/zinc/11/21/22/170112122.db2.gz OVWFQGOUJZCDGA-UHFFFAOYSA-N 2 0 240.435 3.278 10 0 BGAERP CCC[NH2+]C[C@@H](C)C[NH+]1CCC(C)(CC)CC1 ZINC000062958287 169261689 /nfs/dbraw/zinc/26/16/89/169261689.db2.gz DAOFHFKDSSPRHA-CQSZACIVSA-N 2 0 240.435 3.134 10 0 BGAERP CCC[NH2+]C[C@H](C)C[NH+]1CCC(C)(CC)CC1 ZINC000062958288 169263922 /nfs/dbraw/zinc/26/39/22/169263922.db2.gz DAOFHFKDSSPRHA-AWEZNQCLSA-N 2 0 240.435 3.134 10 0 BGAERP CCC1(C)CC[NH+](CC2CCC([NH3+])CC2)CC1 ZINC000062959817 168445590 /nfs/dbraw/zinc/44/55/90/168445590.db2.gz PFYGJYNUTRDBBN-UHFFFAOYSA-N 2 0 238.419 3.016 10 0 BGAERP [NH3+]CCCCCC[NH+]1CCC2(CCCC2)CC1 ZINC000062959952 181375603 /nfs/dbraw/zinc/37/56/03/181375603.db2.gz BFZCTCIRZDBCOA-UHFFFAOYSA-N 2 0 238.419 3.162 10 0 BGAERP CCC[N@H+](C)CC(C)(C)[C@H](N)c1ccccc1 ZINC000063018882 169075180 /nfs/dbraw/zinc/07/51/80/169075180.db2.gz ZLOYNABMVZGLCU-CQSZACIVSA-N 2 0 234.387 3.054 10 0 BGAERP CCC[N@H+](C)CC(C)(C)[C@@H](N)c1ccccc1 ZINC000063018883 169075791 /nfs/dbraw/zinc/07/57/91/169075791.db2.gz ZLOYNABMVZGLCU-AWEZNQCLSA-N 2 0 234.387 3.054 10 0 BGAERP CC[NH2+][C@@H](CC[N@@H+]1CCCC1(C)C)C(C)(C)C ZINC000063073288 170145271 /nfs/dbraw/zinc/14/52/71/170145271.db2.gz FSZFYZGCBNRHOV-ZDUSSCGKSA-N 2 0 240.435 3.275 10 0 BGAERP CC[NH2+][C@H](CC[N@@H+]1CCCC1(C)C)C(C)(C)C ZINC000063073289 170161732 /nfs/dbraw/zinc/16/17/32/170161732.db2.gz FSZFYZGCBNRHOV-CYBMUJFWSA-N 2 0 240.435 3.275 10 0 BGAERP CCC[NH2+]C[C@@](C)(CC)C[N@@H+]1CCCC1(C)C ZINC000063073425 169263636 /nfs/dbraw/zinc/26/36/36/169263636.db2.gz GXATYBNORPJIRM-OAHLLOKOSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+]C[C@](C)(CC)C[N@@H+]1CCCC1(C)C ZINC000063073426 169264547 /nfs/dbraw/zinc/26/45/47/169264547.db2.gz GXATYBNORPJIRM-HNNXBMFYSA-N 2 0 240.435 3.277 10 0 BGAERP CC[NH2+]Cc1cccc(C[N@@H+]2CCCC2(C)C)c1 ZINC000063073804 170128357 /nfs/dbraw/zinc/12/83/57/170128357.db2.gz XIXABDZRKDRQOC-UHFFFAOYSA-N 2 0 246.398 3.171 10 0 BGAERP C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCCC1(C)C ZINC000063074121 176080629 /nfs/dbraw/zinc/08/06/29/176080629.db2.gz HRDBKQJCHKDSFJ-KGLIPLIRSA-N 2 0 238.419 3.029 10 0 BGAERP CC[C@H](C(C)C)[N@@H+]1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000063136503 171242432 /nfs/dbraw/zinc/24/24/32/171242432.db2.gz PTQDXQISCSSEGI-HUUCEWRRSA-N 2 0 240.435 3.131 10 0 BGAERP CC(C)[NH2+]C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000063136769 167111979 /nfs/dbraw/zinc/11/19/79/167111979.db2.gz RZNIFRHVAFXERR-AWEZNQCLSA-N 2 0 238.419 3.029 10 0 BGAERP CC(C)[NH2+]C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000063136772 167115527 /nfs/dbraw/zinc/11/55/27/167115527.db2.gz RZNIFRHVAFXERR-CQSZACIVSA-N 2 0 238.419 3.029 10 0 BGAERP CC1CCC([N@H+](C)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070578542 168159480 /nfs/dbraw/zinc/15/94/80/168159480.db2.gz YUZBCCIKFSBGHU-FUUBYGMNSA-N 2 0 238.419 3.014 10 0 BGAERP CC1CCC([N@H+](C)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070578543 168160220 /nfs/dbraw/zinc/16/02/20/168160220.db2.gz YUZBCCIKFSBGHU-GQKFXUNGSA-N 2 0 238.419 3.014 10 0 BGAERP C[C@@H]1CCC[C@H]([N@H+](C)C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000070578562 176140128 /nfs/dbraw/zinc/14/01/28/176140128.db2.gz BOZUCDAPGZVSBN-KBXIAJHMSA-N 2 0 238.419 3.014 10 0 BGAERP CCC[NH2+][C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2C)[C@H](C)C1 ZINC000071207950 169283336 /nfs/dbraw/zinc/28/33/36/169283336.db2.gz KPFIZCQAXUSMPP-GBJTYRQASA-N 2 0 238.419 3.028 10 0 BGAERP CC[C@@H](C)C[NH2+]CCC[C@H]([NH3+])c1ccccc1 ZINC000071402059 170707603 /nfs/dbraw/zinc/70/76/03/170707603.db2.gz MIBQVEQPCLTBOD-HIFRSBDPSA-N 2 0 234.387 3.102 10 0 BGAERP CC[C@H](C)C[NH2+]CCC[C@H]([NH3+])c1ccccc1 ZINC000071402060 171284792 /nfs/dbraw/zinc/28/47/92/171284792.db2.gz MIBQVEQPCLTBOD-ZFWWWQNUSA-N 2 0 234.387 3.102 10 0 BGAERP CC[C@H](C)C[NH2+]CCC[C@@H]([NH3+])c1ccccc1 ZINC000071402062 171284429 /nfs/dbraw/zinc/28/44/29/171284429.db2.gz MIBQVEQPCLTBOD-DZGCQCFKSA-N 2 0 234.387 3.102 10 0 BGAERP C[NH2+]C1CCC(c2nc3c(cccc3C)[nH]2)CC1 ZINC000071791781 173321976 /nfs/dbraw/zinc/32/19/76/173321976.db2.gz BSWMHRMYUACYOC-UHFFFAOYSA-N 2 0 243.354 3.117 10 0 BGAERP C[NH2+]C1CCC(c2nc3cc(C)ccc3[nH]2)CC1 ZINC000071791782 173322326 /nfs/dbraw/zinc/32/23/26/173322326.db2.gz MRQMGYNKJWRWBL-UHFFFAOYSA-N 2 0 243.354 3.117 10 0 BGAERP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC000073656010 169208961 /nfs/dbraw/zinc/20/89/61/169208961.db2.gz QQDMGWDUOJOHSH-HOCLYGCPSA-N 2 0 246.398 3.039 10 0 BGAERP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC000073656013 169207568 /nfs/dbraw/zinc/20/75/68/169207568.db2.gz QQDMGWDUOJOHSH-GOEBONIOSA-N 2 0 246.398 3.039 10 0 BGAERP CCCC[N@@H+]1CC[C@@H]([NH2+]C(C)(C)C)C[C@@H]1C ZINC000073656028 188191984 /nfs/dbraw/zinc/19/19/84/188191984.db2.gz BVWDPIJIAJLLRE-QWHCGFSZSA-N 2 0 226.408 3.028 10 0 BGAERP CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084219638 644421244 /nfs/dbraw/zinc/42/12/44/644421244.db2.gz OYKVFXZWSIHKOI-BFHYXJOUSA-N 2 0 226.408 3.062 10 0 BGAERP CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084219649 631436983 /nfs/dbraw/zinc/43/69/83/631436983.db2.gz OYKVFXZWSIHKOI-MJBXVCDLSA-N 2 0 226.408 3.062 10 0 BGAERP CCCC[C@@H](CC)C[NH2+]C1CCC([NH3+])CC1 ZINC000086725168 388107653 /nfs/dbraw/zinc/10/76/53/388107653.db2.gz CTHSKWHJAUKGPK-IYXRBSQSSA-N 2 0 226.408 3.062 10 0 BGAERP CCCC[C@H](CC)C[NH2+]C1CCC([NH3+])CC1 ZINC000086725172 388108342 /nfs/dbraw/zinc/10/83/42/388108342.db2.gz CTHSKWHJAUKGPK-HSBZDZAISA-N 2 0 226.408 3.062 10 0 BGAERP CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089148527 644535180 /nfs/dbraw/zinc/53/51/80/644535180.db2.gz RKYIACMQMXGWDY-APHBMKBZSA-N 2 0 246.398 3.027 10 0 BGAERP CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089148529 644536141 /nfs/dbraw/zinc/53/61/41/644536141.db2.gz RKYIACMQMXGWDY-MAZHCROVSA-N 2 0 246.398 3.027 10 0 BGAERP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(C)cc1 ZINC000089148950 644536259 /nfs/dbraw/zinc/53/62/59/644536259.db2.gz UEWPCLCMXYXSHH-OWCLPIDISA-N 2 0 246.398 3.163 10 0 BGAERP CC[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(C)cc1 ZINC000089148952 644536059 /nfs/dbraw/zinc/53/60/59/644536059.db2.gz UEWPCLCMXYXSHH-PMPSAXMXSA-N 2 0 246.398 3.163 10 0 BGAERP CCC[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089149030 359994343 /nfs/dbraw/zinc/99/43/43/359994343.db2.gz KZZJZNGVJROURF-OWCLPIDISA-N 2 0 246.398 3.245 10 0 BGAERP CCC[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089149032 359993807 /nfs/dbraw/zinc/99/38/07/359993807.db2.gz KZZJZNGVJROURF-PMPSAXMXSA-N 2 0 246.398 3.245 10 0 BGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149341 641474430 /nfs/dbraw/zinc/47/44/30/641474430.db2.gz FTKZQFWABYLJNF-SQWLQELKSA-N 2 0 246.398 3.081 10 0 BGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149343 135531568 /nfs/dbraw/zinc/53/15/68/135531568.db2.gz FTKZQFWABYLJNF-LZWOXQAQSA-N 2 0 246.398 3.081 10 0 BGAERP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000089149929 641476984 /nfs/dbraw/zinc/47/69/84/641476984.db2.gz QCPPWTMKZROEDN-SQWLQELKSA-N 2 0 246.398 3.081 10 0 BGAERP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000089149931 641477251 /nfs/dbraw/zinc/47/72/51/641477251.db2.gz QCPPWTMKZROEDN-LZWOXQAQSA-N 2 0 246.398 3.081 10 0 BGAERP CCCC1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089150391 644535933 /nfs/dbraw/zinc/53/59/33/644535933.db2.gz MSGWGICSFYLWHF-HXSCFSKGSA-N 2 0 238.419 3.062 10 0 BGAERP CCCC1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089150392 644535351 /nfs/dbraw/zinc/53/53/51/644535351.db2.gz MSGWGICSFYLWHF-JYVUQVBGSA-N 2 0 238.419 3.062 10 0 BGAERP CCCC1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089150393 644536346 /nfs/dbraw/zinc/53/63/46/644536346.db2.gz MSGWGICSFYLWHF-OOJKYFRXSA-N 2 0 238.419 3.062 10 0 BGAERP CCCC1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089150394 644536323 /nfs/dbraw/zinc/53/63/23/644536323.db2.gz MSGWGICSFYLWHF-SHWKFHJASA-N 2 0 238.419 3.062 10 0 BGAERP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089150553 644536917 /nfs/dbraw/zinc/53/69/17/644536917.db2.gz PMHLSUKMTHRHMV-QLFBSQMISA-N 2 0 238.419 3.062 10 0 BGAERP CC[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089150555 644536134 /nfs/dbraw/zinc/53/61/34/644536134.db2.gz PMHLSUKMTHRHMV-ILXRZTDVSA-N 2 0 238.419 3.062 10 0 BGAERP CC[NH+](CC)CCC[NH2+]CC1CCC(C)CC1 ZINC000089575535 360027200 /nfs/dbraw/zinc/02/72/00/360027200.db2.gz NIZVCUIBNTXUSC-UHFFFAOYSA-N 2 0 240.435 3.134 10 0 BGAERP C/C(C=[N+]1CCCCC1)=C/C=C/[NH+]1CCCCC1 ZINC000090756028 187243577 /nfs/dbraw/zinc/24/35/77/187243577.db2.gz DGXXNSJVNJOSJG-UHFFFAOYSA-N 2 0 247.406 3.200 10 0 BGAERP CC1CCC(C[N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844864 631544581 /nfs/dbraw/zinc/54/45/81/631544581.db2.gz DMLIGYHFCCNOCL-UHFFFAOYSA-N 2 0 238.419 3.014 10 0 BGAERP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093462584 179338952 /nfs/dbraw/zinc/33/89/52/179338952.db2.gz SZAFMUZBITZMKA-KKUMJFAQSA-N 2 0 246.398 3.176 10 0 BGAERP CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000093516032 384244241 /nfs/dbraw/zinc/24/42/41/384244241.db2.gz MEVANHWKROMFSR-KKUMJFAQSA-N 2 0 240.435 3.321 10 0 BGAERP C[C@H](CC1CC1)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516555 175766742 /nfs/dbraw/zinc/76/67/42/175766742.db2.gz GAGHJTRMKZWMHR-IPYPFGDCSA-N 2 0 238.419 3.075 10 0 BGAERP C[C@H](CC1CC1)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516557 176613556 /nfs/dbraw/zinc/61/35/56/176613556.db2.gz GAGHJTRMKZWMHR-NFAWXSAZSA-N 2 0 238.419 3.075 10 0 BGAERP CCC1CCC(C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000094087866 644707227 /nfs/dbraw/zinc/70/72/27/644707227.db2.gz RXBHRVORHJHAKZ-UHFFFAOYSA-N 2 0 238.419 3.062 10 0 BGAERP C[C@@H]1CCC[C@H](CC[NH2+]C2CCC([NH3+])CC2)C1 ZINC000094089177 176137919 /nfs/dbraw/zinc/13/79/19/176137919.db2.gz ZNQHBKJIZZXWPA-LMRVLLHPSA-N 2 0 238.419 3.062 10 0 BGAERP C[C@H]1CCC[C@H](CC[NH2+]C2CCC([NH3+])CC2)C1 ZINC000094089178 177132672 /nfs/dbraw/zinc/13/26/72/177132672.db2.gz ZNQHBKJIZZXWPA-ZUJMUWTESA-N 2 0 238.419 3.062 10 0 BGAERP C[C@@H]1CCC[C@@H](CC[NH2+]C2CCC([NH3+])CC2)C1 ZINC000094089180 176117010 /nfs/dbraw/zinc/11/70/10/176117010.db2.gz ZNQHBKJIZZXWPA-DNDYEEKYSA-N 2 0 238.419 3.062 10 0 BGAERP C[C@H]1CCC[C@@H](CC[NH2+]C2CCC([NH3+])CC2)C1 ZINC000094089182 177119708 /nfs/dbraw/zinc/11/97/08/177119708.db2.gz ZNQHBKJIZZXWPA-HESLUPGFSA-N 2 0 238.419 3.062 10 0 BGAERP Cc1cc(N[C@@H](C)CCC[NH3+])c2ccccc2[nH+]1 ZINC000094948128 360328516 /nfs/dbraw/zinc/32/85/16/360328516.db2.gz GRYPNUTWMNBFQW-NSHDSACASA-N 2 0 243.354 3.083 10 0 BGAERP Cc1cc(N[C@H](C)CCC[NH3+])c2ccccc2[nH+]1 ZINC000094948129 135622697 /nfs/dbraw/zinc/62/26/97/135622697.db2.gz GRYPNUTWMNBFQW-LLVKDONJSA-N 2 0 243.354 3.083 10 0 BGAERP CCCCCC(C)(C)C[NH2+]C1CCC([NH3+])CC1 ZINC000094984903 635398617 /nfs/dbraw/zinc/39/86/17/635398617.db2.gz GQNONRDBZPCZTH-UHFFFAOYSA-N 2 0 240.435 3.452 10 0 BGAERP C[NH2+]CCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095075973 173350593 /nfs/dbraw/zinc/35/05/93/173350593.db2.gz NXEBQDVZQJBUJX-INIZCTEOSA-N 2 0 246.398 3.041 10 0 BGAERP C[NH2+]CCC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095075974 173350484 /nfs/dbraw/zinc/35/04/84/173350484.db2.gz NXEBQDVZQJBUJX-MRXNPFEDSA-N 2 0 246.398 3.041 10 0 BGAERP CC(C)[NH2+][C@@]1(C)CCCN(Cc2ccccc2)C1 ZINC000095088374 167136882 /nfs/dbraw/zinc/13/68/82/167136882.db2.gz KFUDCLOABVGPLS-INIZCTEOSA-N 2 0 246.398 3.039 10 0 BGAERP C(C[NH2+]C1CCCCC1)C[NH2+]C1CCCCC1 ZINC000095679102 346080496 /nfs/dbraw/zinc/08/04/96/346080496.db2.gz LXMSMSSSMZWJSL-UHFFFAOYSA-N 2 0 238.419 3.221 10 0 BGAERP CC(C)(C)[C@H]1[C@H]([NH3+])CCCN1Cc1ccccc1 ZINC000096964446 188223819 /nfs/dbraw/zinc/22/38/19/188223819.db2.gz KVSZYNFYHMUZIY-HUUCEWRRSA-N 2 0 246.398 3.024 10 0 BGAERP [NH3+]CCCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000097758363 181373860 /nfs/dbraw/zinc/37/38/60/181373860.db2.gz HJJCUHPWJKGKDS-UHFFFAOYSA-N 2 0 246.398 3.028 10 0 BGAERP Cc1ccccc1[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104130357 179318818 /nfs/dbraw/zinc/31/88/18/179318818.db2.gz QXUFUDHBQGKXLI-ZIAGYGMSSA-N 2 0 246.398 3.115 10 0 BGAERP Cc1ccccc1[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104130361 179333844 /nfs/dbraw/zinc/33/38/44/179333844.db2.gz QXUFUDHBQGKXLI-KGLIPLIRSA-N 2 0 246.398 3.115 10 0 BGAERP Cc1ccccc1[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104130366 179317495 /nfs/dbraw/zinc/31/74/95/179317495.db2.gz QXUFUDHBQGKXLI-UONOGXRCSA-N 2 0 246.398 3.115 10 0 BGAERP Cc1ccccc1[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104130370 179334581 /nfs/dbraw/zinc/33/45/81/179334581.db2.gz QXUFUDHBQGKXLI-KBPBESRZSA-N 2 0 246.398 3.115 10 0 BGAERP CCC[NH2+]CC(C)(C)C[N@@H+]1CCC[C@H](C)CC1 ZINC000104346278 169255341 /nfs/dbraw/zinc/25/53/41/169255341.db2.gz IIIWKYJYLPKQIC-AWEZNQCLSA-N 2 0 240.435 3.134 10 0 BGAERP CCC[NH2+]CC(C)(C)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000104346282 169255543 /nfs/dbraw/zinc/25/55/43/169255543.db2.gz IIIWKYJYLPKQIC-CQSZACIVSA-N 2 0 240.435 3.134 10 0 BGAERP C[C@@H]1CCC[N@H+](CCC[NH2+]C2CCCC2)CC1 ZINC000104346302 176098001 /nfs/dbraw/zinc/09/80/01/176098001.db2.gz GMWDKEVZHLRXFB-CQSZACIVSA-N 2 0 238.419 3.031 10 0 BGAERP C[C@H]1CCC[N@H+](CCC[NH2+]C2CCCC2)CC1 ZINC000104346305 177098521 /nfs/dbraw/zinc/09/85/21/177098521.db2.gz GMWDKEVZHLRXFB-AWEZNQCLSA-N 2 0 238.419 3.031 10 0 BGAERP CCC(CC)(C[NH2+]C)C[N@H+](C)CC1CCCC1 ZINC000104347909 168325744 /nfs/dbraw/zinc/32/57/44/168325744.db2.gz IHVKOMMLPPKDAU-UHFFFAOYSA-N 2 0 240.435 3.134 10 0 BGAERP CCC[NH2+]CCC[C@@H](C)[N@@H+]1CCC[C@H](C)CC1 ZINC000104356446 169256649 /nfs/dbraw/zinc/25/66/49/169256649.db2.gz BCLMPFBPXATJAC-LSDHHAIUSA-N 2 0 240.435 3.277 10 0 BGAERP CCC[NH2+]CCC[C@H](C)[N@@H+]1CCC[C@H](C)CC1 ZINC000104356449 169258358 /nfs/dbraw/zinc/25/83/58/169258358.db2.gz BCLMPFBPXATJAC-GJZGRUSLSA-N 2 0 240.435 3.277 10 0 BGAERP C[C@@H](CCC[NH2+]C1CC1)[N@@H+]1CCC[C@H](C)CC1 ZINC000104359542 177103375 /nfs/dbraw/zinc/10/33/75/177103375.db2.gz IRHYOQWQFZZANA-KBPBESRZSA-N 2 0 238.419 3.029 10 0 BGAERP C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C)CC2)c1 ZINC000104360943 188324349 /nfs/dbraw/zinc/32/43/49/188324349.db2.gz XKGFDIMGRXCQKS-AWEZNQCLSA-N 2 0 246.398 3.028 10 0 BGAERP CC(C)[NH2+]CCC[C@H](C)[N@@H+]1CCC[C@@H](C)CC1 ZINC000104362226 167102466 /nfs/dbraw/zinc/10/24/66/167102466.db2.gz COMYQLLJXNLMNW-CABCVRRESA-N 2 0 240.435 3.275 10 0 BGAERP CC(C)[NH2+]CCC[C@H](C)[N@@H+]1CCC[C@H](C)CC1 ZINC000104362230 167101274 /nfs/dbraw/zinc/10/12/74/167101274.db2.gz COMYQLLJXNLMNW-GJZGRUSLSA-N 2 0 240.435 3.275 10 0 BGAERP C[C@@H]1CCC[N@H+](CCCCC[NH2+]C2CC2)CC1 ZINC000104364686 176098633 /nfs/dbraw/zinc/09/86/33/176098633.db2.gz HUNFGSHLWNXQPQ-CQSZACIVSA-N 2 0 238.419 3.031 10 0 BGAERP C[C@H]1CCC[N@H+](CCCCC[NH2+]C2CC2)CC1 ZINC000104364690 177098243 /nfs/dbraw/zinc/09/82/43/177098243.db2.gz HUNFGSHLWNXQPQ-AWEZNQCLSA-N 2 0 238.419 3.031 10 0 BGAERP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)CC1CCCC1 ZINC000104366334 167005568 /nfs/dbraw/zinc/00/55/68/167005568.db2.gz BFWUWDXLYPAMCZ-CQSZACIVSA-N 2 0 240.435 3.133 10 0 BGAERP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)CC1CCCC1 ZINC000104366339 167004669 /nfs/dbraw/zinc/00/46/69/167004669.db2.gz BFWUWDXLYPAMCZ-AWEZNQCLSA-N 2 0 240.435 3.133 10 0 BGAERP CC(C)[NH2+]CCCCC[N@H+](C)CC1CCCC1 ZINC000104367612 167102211 /nfs/dbraw/zinc/10/22/11/167102211.db2.gz HDENACVSLBFWJV-UHFFFAOYSA-N 2 0 240.435 3.277 10 0 BGAERP CC(C)[NH2+]CCC[C@@H](C)[N@H+](C)CC1CCCC1 ZINC000104367616 167101956 /nfs/dbraw/zinc/10/19/56/167101956.db2.gz IFHJCKNRLUKLPR-CQSZACIVSA-N 2 0 240.435 3.275 10 0 BGAERP CC(C)[NH2+]CCC[C@H](C)[N@H+](C)CC1CCCC1 ZINC000104367617 167101806 /nfs/dbraw/zinc/10/18/06/167101806.db2.gz IFHJCKNRLUKLPR-AWEZNQCLSA-N 2 0 240.435 3.275 10 0 BGAERP CCC[NH2+][C@@H](C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC000104407766 169275270 /nfs/dbraw/zinc/27/52/70/169275270.db2.gz LDAZDFWBGRZCQD-KBPBESRZSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@H](C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC000104407770 169286290 /nfs/dbraw/zinc/28/62/90/169286290.db2.gz LDAZDFWBGRZCQD-UONOGXRCSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@@H](C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC000104407772 169274375 /nfs/dbraw/zinc/27/43/75/169274375.db2.gz LDAZDFWBGRZCQD-KGLIPLIRSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@H](C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC000104407777 169285927 /nfs/dbraw/zinc/28/59/27/169285927.db2.gz LDAZDFWBGRZCQD-ZIAGYGMSSA-N 2 0 240.435 3.133 10 0 BGAERP CC[C@H](C)C[C@@](CC)(CN)[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104410513 171296410 /nfs/dbraw/zinc/29/64/10/171296410.db2.gz RPCMSBSPBLHIBH-AJNGGQMLSA-N 2 0 240.435 3.118 10 0 BGAERP CC(C)[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC000104411446 167100935 /nfs/dbraw/zinc/10/09/35/167100935.db2.gz XCZNCPKFFRDNEX-UHFFFAOYSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000104421663 170141098 /nfs/dbraw/zinc/14/10/98/170141098.db2.gz UEZLQSHHMZDADA-UONOGXRCSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000104421667 170158529 /nfs/dbraw/zinc/15/85/29/170158529.db2.gz UEZLQSHHMZDADA-ZIAGYGMSSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000104421669 170141193 /nfs/dbraw/zinc/14/11/93/170141193.db2.gz UEZLQSHHMZDADA-KBPBESRZSA-N 2 0 240.435 3.133 10 0 BGAERP CC[NH2+][C@H](C)[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000104421674 170159601 /nfs/dbraw/zinc/15/96/01/170159601.db2.gz UEZLQSHHMZDADA-KGLIPLIRSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[C@@H](C)C[NH+]1CCC([C@@H](C)[NH2+]CC)CC1 ZINC000104424797 169357835 /nfs/dbraw/zinc/35/78/35/169357835.db2.gz OCGHLBASYFYTLS-ZIAGYGMSSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[C@H](C)C[NH+]1CCC([C@@H](C)[NH2+]CC)CC1 ZINC000104424802 169479760 /nfs/dbraw/zinc/47/97/60/169479760.db2.gz OCGHLBASYFYTLS-UONOGXRCSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[C@@H](C)C[NH+]1CCC([C@H](C)[NH2+]CC)CC1 ZINC000104424805 169357692 /nfs/dbraw/zinc/35/76/92/169357692.db2.gz OCGHLBASYFYTLS-KGLIPLIRSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@@H](C)C1CC[NH+](C2CCCC2)CC1 ZINC000104428113 169275434 /nfs/dbraw/zinc/27/54/34/169275434.db2.gz XECPFEKMOOXFAA-ZDUSSCGKSA-N 2 0 238.419 3.029 10 0 BGAERP CCC[NH2+][C@H](C)C1CC[NH+](C2CCCC2)CC1 ZINC000104428118 169285925 /nfs/dbraw/zinc/28/59/25/169285925.db2.gz XECPFEKMOOXFAA-CYBMUJFWSA-N 2 0 238.419 3.029 10 0 BGAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]CC1(C)CCCC1 ZINC000104441147 173006866 /nfs/dbraw/zinc/00/68/66/173006866.db2.gz JSAJVKTUZPZTIA-AWEZNQCLSA-N 2 0 238.419 3.031 10 0 BGAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]CC1(C)CCCC1 ZINC000104441149 173004338 /nfs/dbraw/zinc/00/43/38/173004338.db2.gz JSAJVKTUZPZTIA-CQSZACIVSA-N 2 0 238.419 3.031 10 0 BGAERP CC(C)C[C@@H](C[NH3+])Nc1cc[nH+]c2ccccc12 ZINC000111377068 188006246 /nfs/dbraw/zinc/00/62/46/188006246.db2.gz GRBHHQZFWRVDCT-LBPRGKRZSA-N 2 0 243.354 3.020 10 0 BGAERP CC(C)C[C@H](C[NH3+])Nc1cc[nH+]c2ccccc12 ZINC000111377070 188006344 /nfs/dbraw/zinc/00/63/44/188006344.db2.gz GRBHHQZFWRVDCT-GFCCVEGCSA-N 2 0 243.354 3.020 10 0 BGAERP CCC[NH2+]C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000111698979 169262570 /nfs/dbraw/zinc/26/25/70/169262570.db2.gz JSYHZIVORDBFER-AWEZNQCLSA-N 2 0 238.419 3.031 10 0 BGAERP CCC[NH2+]C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000111698981 169264685 /nfs/dbraw/zinc/26/46/85/169264685.db2.gz JSYHZIVORDBFER-CQSZACIVSA-N 2 0 238.419 3.031 10 0 BGAERP CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000111707033 170141414 /nfs/dbraw/zinc/14/14/14/170141414.db2.gz WSBMGKAOFWGJKE-UONOGXRCSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000111707035 170158376 /nfs/dbraw/zinc/15/83/76/170158376.db2.gz WSBMGKAOFWGJKE-ZIAGYGMSSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000111707037 170141252 /nfs/dbraw/zinc/14/12/52/170141252.db2.gz WSBMGKAOFWGJKE-KBPBESRZSA-N 2 0 238.419 3.029 10 0 BGAERP CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000111707039 170159511 /nfs/dbraw/zinc/15/95/11/170159511.db2.gz WSBMGKAOFWGJKE-KGLIPLIRSA-N 2 0 238.419 3.029 10 0 BGAERP CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC000111890915 169275547 /nfs/dbraw/zinc/27/55/47/169275547.db2.gz XJARQLHRDAKPHJ-LSDHHAIUSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC000111890918 169286251 /nfs/dbraw/zinc/28/62/51/169286251.db2.gz XJARQLHRDAKPHJ-HUUCEWRRSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC000111890922 169275794 /nfs/dbraw/zinc/27/57/94/169275794.db2.gz XJARQLHRDAKPHJ-GJZGRUSLSA-N 2 0 240.435 3.133 10 0 BGAERP CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC000111890926 169287411 /nfs/dbraw/zinc/28/74/11/169287411.db2.gz XJARQLHRDAKPHJ-CABCVRRESA-N 2 0 240.435 3.133 10 0 BGAERP [NH3+]C1CCC(CCCC2CCC([NH3+])CC2)CC1 ZINC000113340227 345753523 /nfs/dbraw/zinc/75/35/23/345753523.db2.gz XEULVOOQCOXUNX-UHFFFAOYSA-N 2 0 238.419 3.192 10 0 BGAERP CCc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000123706355 171794528 /nfs/dbraw/zinc/79/45/28/171794528.db2.gz ZJSPBCNIQGBELC-MRXNPFEDSA-N 2 0 248.414 3.054 10 0 BGAERP CC(C)CCCCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000128918214 591177591 /nfs/dbraw/zinc/17/75/91/591177591.db2.gz FRWBRYYAYSNJDY-OAHLLOKOSA-N 2 0 240.435 3.325 10 0 BGAERP CC(C)CCCCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000128918450 591177823 /nfs/dbraw/zinc/17/78/23/591177823.db2.gz FRWBRYYAYSNJDY-HNNXBMFYSA-N 2 0 240.435 3.325 10 0 BGAERP CCCCCC(C)(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129317964 591276439 /nfs/dbraw/zinc/27/64/39/591276439.db2.gz YCPSBXUPKSWQSN-CQSZACIVSA-N 2 0 240.435 3.325 10 0 BGAERP CCCCCC(C)(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129318172 591276761 /nfs/dbraw/zinc/27/67/61/591276761.db2.gz YCPSBXUPKSWQSN-AWEZNQCLSA-N 2 0 240.435 3.325 10 0 BGAERP CCC([NH3+])(CC)CNc1cc[nH+]c2ccccc12 ZINC000130092456 591436588 /nfs/dbraw/zinc/43/65/88/591436588.db2.gz NKRSJDGOVSCGQR-UHFFFAOYSA-N 2 0 243.354 3.164 10 0 BGAERP Cc1c[nH+]ccc1NCC[NH2+]C1CCCCCC1 ZINC000130132984 386138721 /nfs/dbraw/zinc/13/87/21/386138721.db2.gz LWHBJLZYBIIQCD-UHFFFAOYSA-N 2 0 247.386 3.114 10 0 BGAERP CCCC[C@@H](C[NH3+])Nc1cc[nH+]c2ccccc12 ZINC000130588715 358632683 /nfs/dbraw/zinc/63/26/83/358632683.db2.gz KEZRMUXKIUFBLE-LBPRGKRZSA-N 2 0 243.354 3.164 10 0 BGAERP CCCC[C@H](C[NH3+])Nc1cc[nH+]c2ccccc12 ZINC000130588916 358632702 /nfs/dbraw/zinc/63/27/02/358632702.db2.gz KEZRMUXKIUFBLE-GFCCVEGCSA-N 2 0 243.354 3.164 10 0 BGAERP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)C ZINC000132052206 358705839 /nfs/dbraw/zinc/70/58/39/358705839.db2.gz CHVMIZSFMGJOKU-SOUVJXGZSA-N 2 0 232.371 3.155 10 0 BGAERP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C(C)C ZINC000132052538 358705634 /nfs/dbraw/zinc/70/56/34/358705634.db2.gz CHVMIZSFMGJOKU-KKUMJFAQSA-N 2 0 232.371 3.155 10 0 BGAERP [NH3+]CCCCCCNc1cc[nH+]c2ccccc12 ZINC000142752975 583629026 /nfs/dbraw/zinc/62/90/26/583629026.db2.gz PYAYEJMXAYONKP-UHFFFAOYSA-N 2 0 243.354 3.166 10 0 BGAERP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000148457811 179338616 /nfs/dbraw/zinc/33/86/16/179338616.db2.gz SZAFMUZBITZMKA-SOUVJXGZSA-N 2 0 246.398 3.176 10 0 BGAERP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CCCCCC1 ZINC000149884258 192905368 /nfs/dbraw/zinc/90/53/68/192905368.db2.gz PVAHGYSGHTUQTH-CFVMTHIKSA-N 2 0 238.419 3.062 10 0 BGAERP Cc1cccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000160183188 201705848 /nfs/dbraw/zinc/70/58/48/201705848.db2.gz QMLMVLSSKMTCLQ-DZKIICNBSA-N 2 0 246.398 3.176 10 0 BGAERP Cc1cccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000160183318 388052232 /nfs/dbraw/zinc/05/22/32/388052232.db2.gz QMLMVLSSKMTCLQ-YCPHGPKFSA-N 2 0 246.398 3.176 10 0 BGAERP Cc1cccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000160183426 388050977 /nfs/dbraw/zinc/05/09/77/388050977.db2.gz QMLMVLSSKMTCLQ-OFQRWUPVSA-N 2 0 246.398 3.176 10 0 BGAERP Cc1cccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000160183554 201705833 /nfs/dbraw/zinc/70/58/33/201705833.db2.gz QMLMVLSSKMTCLQ-IJEWVQPXSA-N 2 0 246.398 3.176 10 0 BGAERP Cc1cc(NCC[NH2+]C2CCCCCC2)cc[nH+]1 ZINC000162906597 178160934 /nfs/dbraw/zinc/16/09/34/178160934.db2.gz WSQDOGOTXBOJLU-UHFFFAOYSA-N 2 0 247.386 3.114 10 0 BGAERP Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000181565233 538960634 /nfs/dbraw/zinc/96/06/34/538960634.db2.gz OIMBUVDLFQOUMZ-GJZGRUSLSA-N 2 0 246.398 3.130 10 0 BGAERP Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000181565266 538960850 /nfs/dbraw/zinc/96/08/50/538960850.db2.gz OIMBUVDLFQOUMZ-LSDHHAIUSA-N 2 0 246.398 3.130 10 0 BGAERP CCC[C@@H](C)[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000187686019 259300881 /nfs/dbraw/zinc/30/08/81/259300881.db2.gz ZFDAABDEWPMECH-KGLIPLIRSA-N 2 0 249.402 3.271 10 0 BGAERP CCC[C@H](C)[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000187686037 259300845 /nfs/dbraw/zinc/30/08/45/259300845.db2.gz ZFDAABDEWPMECH-KBPBESRZSA-N 2 0 249.402 3.271 10 0 BGAERP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000219156131 134274503 /nfs/dbraw/zinc/27/45/03/134274503.db2.gz KHUMBXLSVKVVIW-MGPQQGTHSA-N 2 0 240.435 3.131 10 0 BGAERP C[C@H](CC[NH+](C)C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000219156211 134274636 /nfs/dbraw/zinc/27/46/36/134274636.db2.gz KHUMBXLSVKVVIW-MCIONIFRSA-N 2 0 240.435 3.131 10 0 BGAERP CC(C)=CC[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000219437866 134285098 /nfs/dbraw/zinc/28/50/98/134285098.db2.gz FBXSLIPKRYKJMK-UHFFFAOYSA-N 2 0 246.398 3.064 10 0 BGAERP CC[C@@H]1CC[N@H+](Cc2ccccc2)CC[C@@H](C)[NH2+]1 ZINC000219630834 342881152 /nfs/dbraw/zinc/88/11/52/342881152.db2.gz KYKZVLXSJKPHEJ-GDBMZVCRSA-N 2 0 246.398 3.039 10 0 BGAERP CC[C@H]1CC[N@H+](Cc2ccccc2)CC[C@@H](C)[NH2+]1 ZINC000219630908 350134407 /nfs/dbraw/zinc/13/44/07/350134407.db2.gz KYKZVLXSJKPHEJ-ZBFHGGJFSA-N 2 0 246.398 3.039 10 0 BGAERP Cc1cc(C)c(C[N@@H+](C)CC(C)(C)C[NH3+])cc1C ZINC000220324963 134303097 /nfs/dbraw/zinc/30/30/97/134303097.db2.gz SUERWBFZOGYZGS-UHFFFAOYSA-N 2 0 248.414 3.029 10 0 BGAERP CC(C)[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000220359426 134306017 /nfs/dbraw/zinc/30/60/17/134306017.db2.gz ISYBYWKVPFPOME-CQSZACIVSA-N 2 0 238.419 3.029 10 0 BGAERP CC(C)[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000220359494 535086740 /nfs/dbraw/zinc/08/67/40/535086740.db2.gz ISYBYWKVPFPOME-AWEZNQCLSA-N 2 0 238.419 3.029 10 0 BGAERP CC[C@@]1(C)C[N@H+](Cc2ccccc2)[C@@H](C)CC[NH2+]1 ZINC000224414529 344916749 /nfs/dbraw/zinc/91/67/49/344916749.db2.gz ULWDMBACXKZKBB-HOCLYGCPSA-N 2 0 246.398 3.039 10 0 BGAERP CC[C@]1(C)C[N@H+](Cc2ccccc2)[C@@H](C)CC[NH2+]1 ZINC000224414585 344916822 /nfs/dbraw/zinc/91/68/22/344916822.db2.gz ULWDMBACXKZKBB-GOEBONIOSA-N 2 0 246.398 3.039 10 0 BGAERP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(C)C ZINC000227539484 134382704 /nfs/dbraw/zinc/38/27/04/134382704.db2.gz CHVMIZSFMGJOKU-QLFBSQMISA-N 2 0 232.371 3.155 10 0 BGAERP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C(C)C ZINC000227539498 134383007 /nfs/dbraw/zinc/38/30/07/134383007.db2.gz CHVMIZSFMGJOKU-ILXRZTDVSA-N 2 0 232.371 3.155 10 0 BGAERP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000227732688 535063868 /nfs/dbraw/zinc/06/38/68/535063868.db2.gz OQAPYBHJWPKIOS-RBSFLKMASA-N 2 0 240.435 3.118 10 0 BGAERP Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])c2ccccc2[nH+]1 ZINC000228267544 358372257 /nfs/dbraw/zinc/37/22/57/358372257.db2.gz GZUCKMAJVCBGSV-MNOVXSKESA-N 2 0 243.354 3.081 10 0 BGAERP Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])c2ccccc2[nH+]1 ZINC000228267554 358372044 /nfs/dbraw/zinc/37/20/44/358372044.db2.gz GZUCKMAJVCBGSV-GHMZBOCLSA-N 2 0 243.354 3.081 10 0 BGAERP Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])c2ccccc2[nH+]1 ZINC000228267564 358372135 /nfs/dbraw/zinc/37/21/35/358372135.db2.gz GZUCKMAJVCBGSV-QWRGUYRKSA-N 2 0 243.354 3.081 10 0 BGAERP Cc1cc(N[C@H](C)C[C@H](C)[NH3+])c2ccccc2[nH+]1 ZINC000228267574 358372158 /nfs/dbraw/zinc/37/21/58/358372158.db2.gz GZUCKMAJVCBGSV-WDEREUQCSA-N 2 0 243.354 3.081 10 0 BGAERP CC(C)[N@H+](C)CCC[NH2+]CC1CCC(C)CC1 ZINC000231329530 357612956 /nfs/dbraw/zinc/61/29/56/357612956.db2.gz PRKQWTBJBKAHLQ-UHFFFAOYSA-N 2 0 240.435 3.133 10 0 BGAERP C[N@H+](CC1CCCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000231459841 641175635 /nfs/dbraw/zinc/17/56/35/641175635.db2.gz QBNGJYGCEJZVTE-OAHLLOKOSA-N 2 0 238.419 3.031 10 0 BGAERP C[N@H+](CC1CCCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000231459869 636941625 /nfs/dbraw/zinc/94/16/25/636941625.db2.gz QBNGJYGCEJZVTE-HNNXBMFYSA-N 2 0 238.419 3.031 10 0 BGAERP CCCC[N@@H+]1CC[C@@H]([NH2+]C(C)(C)C)C[C@H]1C ZINC000242437272 520596278 /nfs/dbraw/zinc/59/62/78/520596278.db2.gz BVWDPIJIAJLLRE-CHWSQXEVSA-N 2 0 226.408 3.028 10 0 BGAERP CCCC[N@@H+]1CC[C@H]([NH2+]C(C)(C)C)C[C@H]1C ZINC000242437273 520595442 /nfs/dbraw/zinc/59/54/42/520595442.db2.gz BVWDPIJIAJLLRE-OLZOCXBDSA-N 2 0 226.408 3.028 10 0 BGAERP CCCC[N@@H+]1CC[C@H]([NH+]2CCCCC2)C[C@H]1C ZINC000242723004 520597416 /nfs/dbraw/zinc/59/74/16/520597416.db2.gz YAXVUAODHRFQGW-CABCVRRESA-N 2 0 238.419 3.125 10 0 BGAERP CCCC[N@@H+]1CC[C@@H]([NH+]2CCCCC2)C[C@H]1C ZINC000242723006 520596161 /nfs/dbraw/zinc/59/61/61/520596161.db2.gz YAXVUAODHRFQGW-HUUCEWRRSA-N 2 0 238.419 3.125 10 0 BGAERP CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000250525087 632542204 /nfs/dbraw/zinc/54/22/04/632542204.db2.gz RKYIACMQMXGWDY-RCBQFDQVSA-N 2 0 246.398 3.027 10 0 BGAERP CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000250525090 644761267 /nfs/dbraw/zinc/76/12/67/644761267.db2.gz RKYIACMQMXGWDY-VBNZEHGJSA-N 2 0 246.398 3.027 10 0 BGAERP CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000250828121 644782216 /nfs/dbraw/zinc/78/22/16/644782216.db2.gz OYKVFXZWSIHKOI-IHRRRGAJSA-N 2 0 226.408 3.062 10 0 BGAERP CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000250828123 644782157 /nfs/dbraw/zinc/78/21/57/644782157.db2.gz OYKVFXZWSIHKOI-MELADBBJSA-N 2 0 226.408 3.062 10 0 BGAERP CC[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(C)cc1 ZINC000251110742 644793314 /nfs/dbraw/zinc/79/33/14/644793314.db2.gz UEWPCLCMXYXSHH-HRCADAONSA-N 2 0 246.398 3.163 10 0 BGAERP CC[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(C)cc1 ZINC000251110746 644793221 /nfs/dbraw/zinc/79/32/21/644793221.db2.gz UEWPCLCMXYXSHH-JYJNAYRXSA-N 2 0 246.398 3.163 10 0 BGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000251145941 644794786 /nfs/dbraw/zinc/79/47/86/644794786.db2.gz FTKZQFWABYLJNF-DZKIICNBSA-N 2 0 246.398 3.081 10 0 BGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000251145943 644794894 /nfs/dbraw/zinc/79/48/94/644794894.db2.gz FTKZQFWABYLJNF-OFQRWUPVSA-N 2 0 246.398 3.081 10 0 BGAERP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000251170763 644795527 /nfs/dbraw/zinc/79/55/27/644795527.db2.gz QCPPWTMKZROEDN-DZKIICNBSA-N 2 0 246.398 3.081 10 0 BGAERP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000251170767 644795481 /nfs/dbraw/zinc/79/54/81/644795481.db2.gz QCPPWTMKZROEDN-OFQRWUPVSA-N 2 0 246.398 3.081 10 0 BGAERP CC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000251267890 388746432 /nfs/dbraw/zinc/74/64/32/388746432.db2.gz MEVANHWKROMFSR-KFWWJZLASA-N 2 0 240.435 3.321 10 0 BGAERP CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000251267893 388746538 /nfs/dbraw/zinc/74/65/38/388746538.db2.gz MEVANHWKROMFSR-ZNMIVQPWSA-N 2 0 240.435 3.321 10 0 BGAERP CC[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000251364223 635547423 /nfs/dbraw/zinc/54/74/23/635547423.db2.gz PMHLSUKMTHRHMV-KKUMJFAQSA-N 2 0 238.419 3.062 10 0 BGAERP CC[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000251364224 643801026 /nfs/dbraw/zinc/80/10/26/643801026.db2.gz PMHLSUKMTHRHMV-SOUVJXGZSA-N 2 0 238.419 3.062 10 0 BGAERP C[C@@H]1CCC[C@H](C[N@@H+]2CCCC[C@H]2CC[NH3+])C1 ZINC000251870636 135080191 /nfs/dbraw/zinc/08/01/91/135080191.db2.gz QNCKZXIMMJZWEF-ILXRZTDVSA-N 2 0 238.419 3.016 10 0 BGAERP C[C@@H]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2CC[NH3+])C1 ZINC000251870638 135080099 /nfs/dbraw/zinc/08/00/99/135080099.db2.gz QNCKZXIMMJZWEF-KFWWJZLASA-N 2 0 238.419 3.016 10 0 BGAERP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC000252475019 519862419 /nfs/dbraw/zinc/86/24/19/519862419.db2.gz QQDMGWDUOJOHSH-GDBMZVCRSA-N 2 0 246.398 3.039 10 0 BGAERP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC000252475020 519864029 /nfs/dbraw/zinc/86/40/29/519864029.db2.gz QQDMGWDUOJOHSH-ZBFHGGJFSA-N 2 0 246.398 3.039 10 0 BGAERP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000252688541 535063942 /nfs/dbraw/zinc/06/39/42/535063942.db2.gz OQAPYBHJWPKIOS-QLFBSQMISA-N 2 0 240.435 3.118 10 0 BGAERP [NH3+]C1CCC([NH2+]CC2CCCCCCC2)CC1 ZINC000261537796 135174764 /nfs/dbraw/zinc/17/47/64/135174764.db2.gz ZPUQAGQEWFLDQU-UHFFFAOYSA-N 2 0 238.419 3.206 10 0 BGAERP CC1(C)C[N@H+](CCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000261546202 135238427 /nfs/dbraw/zinc/23/84/27/135238427.db2.gz GQDLYCBCJYZIAR-AWEZNQCLSA-N 2 0 238.419 3.016 10 0 BGAERP CC1(C)C[N@H+](CCC2CCCCC2)CC[C@H]1[NH3+] ZINC000261546203 135238498 /nfs/dbraw/zinc/23/84/98/135238498.db2.gz GQDLYCBCJYZIAR-CQSZACIVSA-N 2 0 238.419 3.016 10 0 BGAERP CC1(C)C[N@H+](CC2CCCCCC2)CC[C@@H]1[NH3+] ZINC000261547293 135240219 /nfs/dbraw/zinc/24/02/19/135240219.db2.gz HWXSAHRWWSRCEH-AWEZNQCLSA-N 2 0 238.419 3.016 10 0 BGAERP CC1(C)C[N@H+](CC2CCCCCC2)CC[C@H]1[NH3+] ZINC000261547294 135240224 /nfs/dbraw/zinc/24/02/24/135240224.db2.gz HWXSAHRWWSRCEH-CQSZACIVSA-N 2 0 238.419 3.016 10 0 BGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261570198 536063907 /nfs/dbraw/zinc/06/39/07/536063907.db2.gz KETWXXNINMKFNH-CABCVRRESA-N 2 0 246.398 3.197 10 0 BGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261570199 135211995 /nfs/dbraw/zinc/21/19/95/135211995.db2.gz KETWXXNINMKFNH-GJZGRUSLSA-N 2 0 246.398 3.197 10 0 BGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261570201 536063465 /nfs/dbraw/zinc/06/34/65/536063465.db2.gz KETWXXNINMKFNH-HUUCEWRRSA-N 2 0 246.398 3.197 10 0 BGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261570204 135212139 /nfs/dbraw/zinc/21/21/39/135212139.db2.gz KETWXXNINMKFNH-LSDHHAIUSA-N 2 0 246.398 3.197 10 0 BGAERP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261579967 135220357 /nfs/dbraw/zinc/22/03/57/135220357.db2.gz PTRDMUNXOLHRPY-DZGCQCFKSA-N 2 0 246.398 3.115 10 0 BGAERP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261579968 135220731 /nfs/dbraw/zinc/22/07/31/135220731.db2.gz PTRDMUNXOLHRPY-HIFRSBDPSA-N 2 0 246.398 3.115 10 0 BGAERP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261579969 135220498 /nfs/dbraw/zinc/22/04/98/135220498.db2.gz PTRDMUNXOLHRPY-UKRRQHHQSA-N 2 0 246.398 3.115 10 0 BGAERP Cc1cccc([C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261579970 135220311 /nfs/dbraw/zinc/22/03/11/135220311.db2.gz PTRDMUNXOLHRPY-ZFWWWQNUSA-N 2 0 246.398 3.115 10 0 BGAERP CCC(CC)(CC)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261765473 135250650 /nfs/dbraw/zinc/25/06/50/135250650.db2.gz RQTOFTNAWDBVNS-CYBMUJFWSA-N 2 0 240.435 3.262 10 0 BGAERP CCC(CC)(CC)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261765475 135251071 /nfs/dbraw/zinc/25/10/71/135251071.db2.gz RQTOFTNAWDBVNS-ZDUSSCGKSA-N 2 0 240.435 3.262 10 0 BGAERP CC[C@H](C)[N@H+](CCCC[NH3+])Cc1ccccc1 ZINC000307012659 351420251 /nfs/dbraw/zinc/42/02/51/351420251.db2.gz LCZDRCOZAGZBDI-AWEZNQCLSA-N 2 0 234.387 3.026 10 0 BGAERP CC[C@@H](C)[N@H+](CCCC[NH3+])Cc1ccccc1 ZINC000307012660 351420416 /nfs/dbraw/zinc/42/04/16/351420416.db2.gz LCZDRCOZAGZBDI-CQSZACIVSA-N 2 0 234.387 3.026 10 0 BGAERP CC[N@H+](Cc1ccccc1)[C@](C)(CC)[C@H](C)[NH3+] ZINC000307158968 372089892 /nfs/dbraw/zinc/08/98/92/372089892.db2.gz BYFQPBMAGHTTNV-DZGCQCFKSA-N 2 0 234.387 3.024 10 0 BGAERP CC[N@H+](Cc1ccccc1)[C@@](C)(CC)[C@@H](C)[NH3+] ZINC000307158969 372088874 /nfs/dbraw/zinc/08/88/74/372088874.db2.gz BYFQPBMAGHTTNV-HIFRSBDPSA-N 2 0 234.387 3.024 10 0 BGAERP CC[N@H+](Cc1ccccc1)[C@](C)(CC)[C@@H](C)[NH3+] ZINC000307158970 372089521 /nfs/dbraw/zinc/08/95/21/372089521.db2.gz BYFQPBMAGHTTNV-UKRRQHHQSA-N 2 0 234.387 3.024 10 0 BGAERP CC[N@H+](Cc1ccccc1)[C@@](C)(CC)[C@H](C)[NH3+] ZINC000307158971 372089841 /nfs/dbraw/zinc/08/98/41/372089841.db2.gz BYFQPBMAGHTTNV-ZFWWWQNUSA-N 2 0 234.387 3.024 10 0 BGAERP CC[C@@H]([NH2+]CCC[NH+](CC)CC)C(C)(C)C ZINC000310023054 388473947 /nfs/dbraw/zinc/47/39/47/388473947.db2.gz OFJRCWBFXSPBTN-CYBMUJFWSA-N 2 0 228.424 3.133 10 0 BGAERP CC[C@H]([NH2+]CCC[NH+](CC)CC)C(C)(C)C ZINC000310023055 529597732 /nfs/dbraw/zinc/59/77/32/529597732.db2.gz OFJRCWBFXSPBTN-ZDUSSCGKSA-N 2 0 228.424 3.133 10 0 BGAERP CC(C)N(C)C[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000310194314 168157203 /nfs/dbraw/zinc/15/72/03/168157203.db2.gz QSPQETAVDSROQG-SHARSMKWSA-N 2 0 240.435 3.131 10 0 BGAERP CCCCCC[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310333508 632724952 /nfs/dbraw/zinc/72/49/52/632724952.db2.gz ARNDNSRLAXLAMG-QLFBSQMISA-N 2 0 240.435 3.262 10 0 BGAERP C[C@H](CCCC[NH3+])Nc1cc[nH+]c2ccccc12 ZINC000311041080 385294881 /nfs/dbraw/zinc/29/48/81/385294881.db2.gz VHQVUPJKFWFKET-GFCCVEGCSA-N 2 0 243.354 3.164 10 0 BGAERP C[C@@H](CCCC[NH3+])Nc1cc[nH+]c2ccccc12 ZINC000311041778 385294462 /nfs/dbraw/zinc/29/44/62/385294462.db2.gz VHQVUPJKFWFKET-LBPRGKRZSA-N 2 0 243.354 3.164 10 0 BGAERP CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C(C)(C)C ZINC000381311670 367380072 /nfs/dbraw/zinc/38/00/72/367380072.db2.gz AJOUUQDBDROXFS-CYBMUJFWSA-N 2 0 228.424 3.131 10 0 BGAERP CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)C(C)(C)C ZINC000381311672 367379721 /nfs/dbraw/zinc/37/97/21/367379721.db2.gz AJOUUQDBDROXFS-ZDUSSCGKSA-N 2 0 228.424 3.131 10 0 BGAERP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)C1CCCCC1 ZINC000383587977 487642374 /nfs/dbraw/zinc/64/23/74/487642374.db2.gz GZZBQVSMHDZEQL-GRTSSRMGSA-N 2 0 238.419 3.062 10 0 BGAERP C[C@H](C[NH2+]C1CCC([NH3+])CC1)C1CCCCC1 ZINC000383587985 487642593 /nfs/dbraw/zinc/64/25/93/487642593.db2.gz GZZBQVSMHDZEQL-LRVUVFPRSA-N 2 0 238.419 3.062 10 0 BGAERP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000385713230 367857337 /nfs/dbraw/zinc/85/73/37/367857337.db2.gz HWXGLPHUELVQPG-FVQBIDKESA-N 2 0 246.398 3.054 10 0 BGAERP CCN1CC[C@@H]([NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000389190238 355807339 /nfs/dbraw/zinc/80/73/39/355807339.db2.gz UUHIFSGRCYSQCW-GOEBONIOSA-N 2 0 246.398 3.048 10 0 BGAERP CCN1CC[C@H]([NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000389190239 355807450 /nfs/dbraw/zinc/80/74/50/355807450.db2.gz UUHIFSGRCYSQCW-HOCLYGCPSA-N 2 0 246.398 3.048 10 0 BGAERP C[C@H]1C[C@H](C)[N@H+](CCCCCCCC[NH3+])C1 ZINC000390607253 358142785 /nfs/dbraw/zinc/14/27/85/358142785.db2.gz YFLMXXQBYPIYEZ-KBPBESRZSA-N 2 0 226.408 3.016 10 0 BGAERP C[C@@H]1C[C@H](C)[N@H+](CCCCCCCC[NH3+])C1 ZINC000390607254 358142501 /nfs/dbraw/zinc/14/25/01/358142501.db2.gz YFLMXXQBYPIYEZ-KGLIPLIRSA-N 2 0 226.408 3.016 10 0 BGAERP C[C@@H]1C[C@H](C)C[N@H+]1CCCCCCCC[NH3+] ZINC000390607256 358142925 /nfs/dbraw/zinc/14/29/25/358142925.db2.gz YFLMXXQBYPIYEZ-UONOGXRCSA-N 2 0 226.408 3.016 10 0 BGAERP C[C@@H]1C[C@@H](C)[N@H+](CCCCCCCC[NH3+])C1 ZINC000390607258 358142896 /nfs/dbraw/zinc/14/28/96/358142896.db2.gz YFLMXXQBYPIYEZ-ZIAGYGMSSA-N 2 0 226.408 3.016 10 0 BGAERP CCC(CC)(CC)C[NH2+]C1CCC([NH3+])CC1 ZINC000391177627 386469262 /nfs/dbraw/zinc/46/92/62/386469262.db2.gz INKMULHTKPDNOM-UHFFFAOYSA-N 2 0 226.408 3.062 10 0 BGAERP CC1(C[NH2+]C2CCC([NH3+])CC2)CCCCCC1 ZINC000394677162 323090529 /nfs/dbraw/zinc/09/05/29/323090529.db2.gz VCFIQGURMYCESU-UHFFFAOYSA-N 2 0 238.419 3.206 10 0 BGAERP CCc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396708415 387482886 /nfs/dbraw/zinc/48/28/86/387482886.db2.gz PRKWIPRFOOFNMP-HEHGZKQESA-N 2 0 246.398 3.040 10 0 BGAERP CCc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396708791 387481851 /nfs/dbraw/zinc/48/18/51/387481851.db2.gz PRKWIPRFOOFNMP-WOSRLPQWSA-N 2 0 246.398 3.040 10 0 BGAERP CCc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396708795 387483165 /nfs/dbraw/zinc/48/31/65/387483165.db2.gz PRKWIPRFOOFNMP-XEZPLFJOSA-N 2 0 246.398 3.040 10 0 BGAERP CCc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396708797 387482552 /nfs/dbraw/zinc/48/25/52/387482552.db2.gz PRKWIPRFOOFNMP-ZENOOKHLSA-N 2 0 246.398 3.040 10 0 BGAERP Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000400470912 226344205 /nfs/dbraw/zinc/34/42/05/226344205.db2.gz XTPPODNGGZDTLF-DZKIICNBSA-N 2 0 246.398 3.095 10 0 BGAERP Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000400470913 226344211 /nfs/dbraw/zinc/34/42/11/226344211.db2.gz XTPPODNGGZDTLF-LZWOXQAQSA-N 2 0 246.398 3.095 10 0 BGAERP Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000400470914 226344445 /nfs/dbraw/zinc/34/44/45/226344445.db2.gz XTPPODNGGZDTLF-OFQRWUPVSA-N 2 0 246.398 3.095 10 0 BGAERP Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000400470915 226344225 /nfs/dbraw/zinc/34/42/25/226344225.db2.gz XTPPODNGGZDTLF-SQWLQELKSA-N 2 0 246.398 3.095 10 0 BGAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000400494429 529666385 /nfs/dbraw/zinc/66/63/85/529666385.db2.gz APFYWSKRPFYCOH-BMFZPTHFSA-N 2 0 246.398 3.034 10 0 BGAERP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000400494431 529651161 /nfs/dbraw/zinc/65/11/61/529651161.db2.gz APFYWSKRPFYCOH-BPUTZDHNSA-N 2 0 246.398 3.034 10 0 BGAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000400494433 529651381 /nfs/dbraw/zinc/65/13/81/529651381.db2.gz APFYWSKRPFYCOH-IMJJTQAJSA-N 2 0 246.398 3.034 10 0 BGAERP CC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000400494434 529666517 /nfs/dbraw/zinc/66/65/17/529666517.db2.gz APFYWSKRPFYCOH-KBMXLJTQSA-N 2 0 246.398 3.034 10 0 BGAERP CCC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400495114 528238974 /nfs/dbraw/zinc/23/89/74/528238974.db2.gz ASUDEKQOEHVZCG-BMFZPTHFSA-N 2 0 246.398 3.115 10 0 BGAERP CCC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400495117 528234429 /nfs/dbraw/zinc/23/44/29/528234429.db2.gz ASUDEKQOEHVZCG-BPUTZDHNSA-N 2 0 246.398 3.115 10 0 BGAERP CCC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400495119 528234468 /nfs/dbraw/zinc/23/44/68/528234468.db2.gz ASUDEKQOEHVZCG-IMJJTQAJSA-N 2 0 246.398 3.115 10 0 BGAERP CCC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400495121 528239489 /nfs/dbraw/zinc/23/94/89/528239489.db2.gz ASUDEKQOEHVZCG-KBMXLJTQSA-N 2 0 246.398 3.115 10 0 BGAERP CC[C@@H]1CCCC[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000401455524 529286822 /nfs/dbraw/zinc/28/68/22/529286822.db2.gz RAGHZXWCQFXSDK-DNDYEEKYSA-N 2 0 238.419 3.062 10 0 BGAERP CC[C@H]1CCCC[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000401455525 529209274 /nfs/dbraw/zinc/20/92/74/529209274.db2.gz RAGHZXWCQFXSDK-HESLUPGFSA-N 2 0 238.419 3.062 10 0 BGAERP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000401455527 529277811 /nfs/dbraw/zinc/27/78/11/529277811.db2.gz RAGHZXWCQFXSDK-LMRVLLHPSA-N 2 0 238.419 3.062 10 0 BGAERP CC[C@H]1CCCC[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000401455529 529204748 /nfs/dbraw/zinc/20/47/48/529204748.db2.gz RAGHZXWCQFXSDK-ZUJMUWTESA-N 2 0 238.419 3.062 10 0 BGAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC(C)(C)C1 ZINC000414935620 487831256 /nfs/dbraw/zinc/83/12/56/487831256.db2.gz YTVVHHPXBXCXMX-MQYQWHSLSA-N 2 0 238.419 3.061 10 0 BGAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC(C)(C)C1 ZINC000414935623 487831443 /nfs/dbraw/zinc/83/14/43/487831443.db2.gz YTVVHHPXBXCXMX-RFGFWPKPSA-N 2 0 238.419 3.061 10 0 BGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC(C)(C)C1 ZINC000414935627 487831128 /nfs/dbraw/zinc/83/11/28/487831128.db2.gz YTVVHHPXBXCXMX-RQJABVFESA-N 2 0 238.419 3.061 10 0 BGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC(C)(C)C1 ZINC000414935630 487831141 /nfs/dbraw/zinc/83/11/41/487831141.db2.gz YTVVHHPXBXCXMX-SYQHCUMBSA-N 2 0 238.419 3.061 10 0 BGAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000415012090 386493709 /nfs/dbraw/zinc/49/37/09/386493709.db2.gz ILVMFOYBMZVHMW-HZSPNIEDSA-N 2 0 240.435 3.308 10 0 BGAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000415012091 386493921 /nfs/dbraw/zinc/49/39/21/386493921.db2.gz ILVMFOYBMZVHMW-MCIONIFRSA-N 2 0 240.435 3.308 10 0 BGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000415012092 386491986 /nfs/dbraw/zinc/49/19/86/386491986.db2.gz ILVMFOYBMZVHMW-MGPQQGTHSA-N 2 0 240.435 3.308 10 0 BGAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000415012093 386493381 /nfs/dbraw/zinc/49/33/81/386493381.db2.gz ILVMFOYBMZVHMW-RDBSUJKOSA-N 2 0 240.435 3.308 10 0 BGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422689556 387613814 /nfs/dbraw/zinc/61/38/14/387613814.db2.gz FICFCKDCTUCFSM-CHWSQXEVSA-N 2 0 246.398 3.069 10 0 BGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422689557 387612705 /nfs/dbraw/zinc/61/27/05/387612705.db2.gz FICFCKDCTUCFSM-OLZOCXBDSA-N 2 0 246.398 3.069 10 0 BGAERP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422689558 387612751 /nfs/dbraw/zinc/61/27/51/387612751.db2.gz FICFCKDCTUCFSM-QWHCGFSZSA-N 2 0 246.398 3.069 10 0 BGAERP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422689559 387613271 /nfs/dbraw/zinc/61/32/71/387613271.db2.gz FICFCKDCTUCFSM-STQMWFEESA-N 2 0 246.398 3.069 10 0 BGAERP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423082401 387879011 /nfs/dbraw/zinc/87/90/11/387879011.db2.gz FDKFIMHDQDXHDU-DZGCQCFKSA-N 2 0 238.419 3.077 10 0 BGAERP C[C@@H](CC1CCCCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423082402 387878219 /nfs/dbraw/zinc/87/82/19/387878219.db2.gz FDKFIMHDQDXHDU-ZFWWWQNUSA-N 2 0 238.419 3.077 10 0 BGAERP C[C@@H](CC1CCCCC1)[NH2+]C1CCC([NH3+])CC1 ZINC000423084820 192562739 /nfs/dbraw/zinc/56/27/39/192562739.db2.gz IQZBKEICVQBVKW-GRTSSRMGSA-N 2 0 238.419 3.205 10 0 BGAERP C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000514596064 387007473 /nfs/dbraw/zinc/00/74/73/387007473.db2.gz DZDPDZOQLBUWBK-CHWSQXEVSA-N 2 0 240.435 3.036 10 0 BGAERP C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000514596075 256680553 /nfs/dbraw/zinc/68/05/53/256680553.db2.gz DZDPDZOQLBUWBK-OLZOCXBDSA-N 2 0 240.435 3.036 10 0 BGAERP C[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000514596077 387007774 /nfs/dbraw/zinc/00/77/74/387007774.db2.gz DZDPDZOQLBUWBK-QWHCGFSZSA-N 2 0 240.435 3.036 10 0 BGAERP C[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000514596079 387007582 /nfs/dbraw/zinc/00/75/82/387007582.db2.gz DZDPDZOQLBUWBK-STQMWFEESA-N 2 0 240.435 3.036 10 0 BGAERP CCC(CC)(CC)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000517229910 388543986 /nfs/dbraw/zinc/54/39/86/388543986.db2.gz INDVWMPXLHLPLJ-KBPBESRZSA-N 2 0 240.435 3.181 10 0 BGAERP CCC(CC)(CC)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000517229911 388543349 /nfs/dbraw/zinc/54/33/49/388543349.db2.gz INDVWMPXLHLPLJ-KGLIPLIRSA-N 2 0 240.435 3.181 10 0 BGAERP CCC(CC)(CC)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000517229912 388543363 /nfs/dbraw/zinc/54/33/63/388543363.db2.gz INDVWMPXLHLPLJ-UONOGXRCSA-N 2 0 240.435 3.181 10 0 BGAERP CCC(CC)(CC)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000517229913 388543482 /nfs/dbraw/zinc/54/34/82/388543482.db2.gz INDVWMPXLHLPLJ-ZIAGYGMSSA-N 2 0 240.435 3.181 10 0 BGAERP CC[NH+](CC)C1(C2CCCCC2)CC[NH2+]CC1 ZINC000536952166 323958075 /nfs/dbraw/zinc/95/80/75/323958075.db2.gz BAIZOCVEFUKHSQ-UHFFFAOYSA-N 2 0 238.419 3.031 10 0 BGAERP CC(C)CC1([NH+]2CCCCCC2)CC[NH2+]CC1 ZINC000536955430 387167579 /nfs/dbraw/zinc/16/75/79/387167579.db2.gz STPHMLYNRKIUHA-UHFFFAOYSA-N 2 0 238.419 3.031 10 0 BGAERP CC(C)CC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000567647755 326238233 /nfs/dbraw/zinc/23/82/33/326238233.db2.gz VLSUCNFCMSTIQY-KBPBESRZSA-N 2 0 240.435 3.036 10 0 BGAERP CC(C)CC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000567647756 326238158 /nfs/dbraw/zinc/23/81/58/326238158.db2.gz VLSUCNFCMSTIQY-KGLIPLIRSA-N 2 0 240.435 3.036 10 0 BGAERP CC(C)CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567647757 326237871 /nfs/dbraw/zinc/23/78/71/326237871.db2.gz VLSUCNFCMSTIQY-UONOGXRCSA-N 2 0 240.435 3.036 10 0 BGAERP CC(C)CC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567647758 326238850 /nfs/dbraw/zinc/23/88/50/326238850.db2.gz VLSUCNFCMSTIQY-ZIAGYGMSSA-N 2 0 240.435 3.036 10 0 BGAERP [NH3+]CCCC[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000575437995 387112841 /nfs/dbraw/zinc/11/28/41/387112841.db2.gz BHXZBVJUYASCRA-JTQLQIEISA-N 2 0 247.169 3.122 10 0 BGAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000575438086 387112664 /nfs/dbraw/zinc/11/26/64/387112664.db2.gz FSJIEYDHKRUMGK-NSHDSACASA-N 2 0 247.169 3.122 10 0 BGAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000575438144 387115029 /nfs/dbraw/zinc/11/50/29/387115029.db2.gz FSJIEYDHKRUMGK-LLVKDONJSA-N 2 0 247.169 3.122 10 0 BGAERP [NH3+]CCCC[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000575438711 387132537 /nfs/dbraw/zinc/13/25/37/387132537.db2.gz BHXZBVJUYASCRA-SNVBAGLBSA-N 2 0 247.169 3.122 10 0 BGAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000575438900 387119991 /nfs/dbraw/zinc/11/99/91/387119991.db2.gz GDBOTVLEFTUHDL-LLVKDONJSA-N 2 0 247.169 3.122 10 0 BGAERP [NH3+]CCCC[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000575438934 387121797 /nfs/dbraw/zinc/12/17/97/387121797.db2.gz HBCCJOKFOOIOQW-SNVBAGLBSA-N 2 0 247.169 3.122 10 0 BGAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000575439376 387124375 /nfs/dbraw/zinc/12/43/75/387124375.db2.gz HUFCCHCEZBMOHK-LLVKDONJSA-N 2 0 247.169 3.122 10 0 BGAERP [NH3+]CCCC[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000575439543 387124149 /nfs/dbraw/zinc/12/41/49/387124149.db2.gz GDBOTVLEFTUHDL-NSHDSACASA-N 2 0 247.169 3.122 10 0 BGAERP [NH3+]CCCC[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000575439559 387123874 /nfs/dbraw/zinc/12/38/74/387123874.db2.gz HBCCJOKFOOIOQW-JTQLQIEISA-N 2 0 247.169 3.122 10 0 BGAERP [NH3+]CCCC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000575439573 387123847 /nfs/dbraw/zinc/12/38/47/387123847.db2.gz HUFCCHCEZBMOHK-NSHDSACASA-N 2 0 247.169 3.122 10 0 BGAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000575440244 387128128 /nfs/dbraw/zinc/12/81/28/387128128.db2.gz WYAKBPGZRUEDCJ-LLVKDONJSA-N 2 0 247.169 3.122 10 0 BGAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000575440468 387135538 /nfs/dbraw/zinc/13/55/38/387135538.db2.gz WYAKBPGZRUEDCJ-NSHDSACASA-N 2 0 247.169 3.122 10 0 BGAERP CCCC[C@H](CC)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000578348039 366532080 /nfs/dbraw/zinc/53/20/80/366532080.db2.gz CCKLHEOWWVCWSZ-KKUMJFAQSA-N 2 0 240.435 3.181 10 0 BGAERP CC[NH+](CC)CC(C)(C)C[NH2+]Cc1ccccc1 ZINC000584614930 358279416 /nfs/dbraw/zinc/27/94/16/358279416.db2.gz SZYNAXBPJXAEKH-UHFFFAOYSA-N 2 0 248.414 3.144 10 0 BGAERP CCCC[NH2+]CC[C@@H]1CCCC[N@@H+]1CCCC ZINC000584627087 358296668 /nfs/dbraw/zinc/29/66/68/358296668.db2.gz GQZUEXFCJYJPKI-HNNXBMFYSA-N 2 0 240.435 3.421 10 0 BGAERP CCCC[NH2+]CC[C@H]1CCCC[N@@H+]1CCCC ZINC000584627098 358296675 /nfs/dbraw/zinc/29/66/75/358296675.db2.gz GQZUEXFCJYJPKI-OAHLLOKOSA-N 2 0 240.435 3.421 10 0 BGAERP CCCC[NH2+]CCC1CC[NH+](CCCC)CC1 ZINC000584636824 358321544 /nfs/dbraw/zinc/32/15/44/358321544.db2.gz GCYTZJYXCUIRHA-UHFFFAOYSA-N 2 0 240.435 3.278 10 0 BGAERP CC[NH2+][C@@H](CC[C@H]([NH2+]CC)C(C)C)C(C)C ZINC000616569875 344170600 /nfs/dbraw/zinc/17/06/00/344170600.db2.gz OEGVYZNFAOWNQF-KBPBESRZSA-N 2 0 228.424 3.035 10 0 BGAERP CC[NH2+][C@H](CC[C@H]([NH2+]CC)C(C)C)C(C)C ZINC000616569890 344171259 /nfs/dbraw/zinc/17/12/59/344171259.db2.gz OEGVYZNFAOWNQF-OKILXGFUSA-N 2 0 228.424 3.035 10 0 BGAERP CC[NH2+][C@H](CC[C@@H]([NH2+]CC)C(C)C)C(C)C ZINC000616569891 347878503 /nfs/dbraw/zinc/87/85/03/347878503.db2.gz OEGVYZNFAOWNQF-ZIAGYGMSSA-N 2 0 228.424 3.035 10 0 BGAERP CC(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)(C)C ZINC000616575307 344190603 /nfs/dbraw/zinc/19/06/03/344190603.db2.gz BRXDVGFEIZGOKY-AGUYFDCRSA-N 2 0 238.419 3.026 10 0 BGAERP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000635001482 345201327 /nfs/dbraw/zinc/20/13/27/345201327.db2.gz BQDVHHPCQIYRIB-KFWWJZLASA-N 2 0 246.398 3.034 10 0 BGAERP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000635001483 345201370 /nfs/dbraw/zinc/20/13/70/345201370.db2.gz BQDVHHPCQIYRIB-RBSFLKMASA-N 2 0 246.398 3.034 10 0 BGAERP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000635001484 345201332 /nfs/dbraw/zinc/20/13/32/345201332.db2.gz BQDVHHPCQIYRIB-RRFJBIMHSA-N 2 0 246.398 3.034 10 0 BGAERP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000635001485 345201407 /nfs/dbraw/zinc/20/14/07/345201407.db2.gz BQDVHHPCQIYRIB-ZNMIVQPWSA-N 2 0 246.398 3.034 10 0 BGAERP CCC[N@H+](CC)Cc1cc(Cl)cc(C[NH3+])c1 ZINC000669379904 537982737 /nfs/dbraw/zinc/98/27/37/537982737.db2.gz MKPVXMYJCODNOO-UHFFFAOYSA-N 2 0 240.778 3.031 10 0 BGAERP CCC1(C)CC[NH+]([C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000675053833 541433347 /nfs/dbraw/zinc/43/33/47/541433347.db2.gz NJFHQESKYVMHHX-KBPBESRZSA-N 2 0 238.419 3.016 10 0 BGAERP CCC1(C)CC[NH+]([C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000675053834 541433071 /nfs/dbraw/zinc/43/30/71/541433071.db2.gz NJFHQESKYVMHHX-KGLIPLIRSA-N 2 0 238.419 3.016 10 0 BGAERP CCC1(C)CC[NH+]([C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000675053835 541433156 /nfs/dbraw/zinc/43/31/56/541433156.db2.gz NJFHQESKYVMHHX-UONOGXRCSA-N 2 0 238.419 3.016 10 0 BGAERP CCC1(C)CC[NH+]([C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000675053836 541433075 /nfs/dbraw/zinc/43/30/75/541433075.db2.gz NJFHQESKYVMHHX-ZIAGYGMSSA-N 2 0 238.419 3.016 10 0 BGAERP CC(C)C[NH+](CC(C)C)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000675053854 541433372 /nfs/dbraw/zinc/43/33/72/541433372.db2.gz OGYBJEPDZOJOFC-CABCVRRESA-N 2 0 240.435 3.118 10 0 BGAERP CC(C)C[NH+](CC(C)C)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000675053855 541433125 /nfs/dbraw/zinc/43/31/25/541433125.db2.gz OGYBJEPDZOJOFC-GJZGRUSLSA-N 2 0 240.435 3.118 10 0 BGAERP CC(C)C[NH+](CC(C)C)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000675053856 541433400 /nfs/dbraw/zinc/43/34/00/541433400.db2.gz OGYBJEPDZOJOFC-HUUCEWRRSA-N 2 0 240.435 3.118 10 0 BGAERP CC(C)C[NH+](CC(C)C)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000675053857 537845237 /nfs/dbraw/zinc/84/52/37/537845237.db2.gz OGYBJEPDZOJOFC-LSDHHAIUSA-N 2 0 240.435 3.118 10 0 BGAERP CC(C)[NH+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000675056981 538478666 /nfs/dbraw/zinc/47/86/66/538478666.db2.gz SSYAJFARLNKVMV-GOOCMWNKSA-N 2 0 238.419 3.026 10 0 BGAERP CC[N@@H+]1CC[C@@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000711955151 582458086 /nfs/dbraw/zinc/45/80/86/582458086.db2.gz MXMNLPZPRAQSTP-JVWICGRDSA-N 2 0 238.419 3.014 10 0 BGAERP CC[N@@H+]1CC[C@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000711955153 582458445 /nfs/dbraw/zinc/45/84/45/582458445.db2.gz MXMNLPZPRAQSTP-OWYJLGKBSA-N 2 0 238.419 3.014 10 0 BGAERP CCC(C)(C)C1CCC2(CC1)[C@H]([NH3+])CCN2C ZINC000711977637 537784693 /nfs/dbraw/zinc/78/46/93/537784693.db2.gz QCBMGRIMHMIDRV-JVWICGRDSA-N 2 0 238.419 3.014 10 0 BGAERP CCC(C)(C)C1CCC2(CC1)[C@@H]([NH3+])CCN2C ZINC000711977638 537784816 /nfs/dbraw/zinc/78/48/16/537784816.db2.gz QCBMGRIMHMIDRV-OWYJLGKBSA-N 2 0 238.419 3.014 10 0 BGAERP CC[N@@H+]1CC[C@@H]([NH3+])C12CC(C)(C)CC(C)(C)C2 ZINC000712001891 537783895 /nfs/dbraw/zinc/78/38/95/537783895.db2.gz OMCMFIVQIPTEAR-GFCCVEGCSA-N 2 0 238.419 3.014 10 0 BGAERP CC[N@@H+]1CC[C@H]([NH3+])C12CC(C)(C)CC(C)(C)C2 ZINC000712001893 537783813 /nfs/dbraw/zinc/78/38/13/537783813.db2.gz OMCMFIVQIPTEAR-LBPRGKRZSA-N 2 0 238.419 3.014 10 0 BGAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712006053 537785108 /nfs/dbraw/zinc/78/51/08/537785108.db2.gz BLIQTBVFFXNFTP-IPYPFGDCSA-N 2 0 238.419 3.013 10 0 BGAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712006057 537783909 /nfs/dbraw/zinc/78/39/09/537783909.db2.gz BLIQTBVFFXNFTP-NFAWXSAZSA-N 2 0 238.419 3.013 10 0 BGAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712006060 537784848 /nfs/dbraw/zinc/78/48/48/537784848.db2.gz BLIQTBVFFXNFTP-UMVBOHGHSA-N 2 0 238.419 3.013 10 0 BGAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712006064 537783524 /nfs/dbraw/zinc/78/35/24/537783524.db2.gz BLIQTBVFFXNFTP-VNHYZAJKSA-N 2 0 238.419 3.013 10 0 BGAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712030216 537784628 /nfs/dbraw/zinc/78/46/28/537784628.db2.gz KJOCQCAISUXTIS-IPYPFGDCSA-N 2 0 238.419 3.014 10 0 BGAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000712030218 537785140 /nfs/dbraw/zinc/78/51/40/537785140.db2.gz KJOCQCAISUXTIS-KCQAQPDRSA-N 2 0 238.419 3.014 10 0 BGAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712030221 537783256 /nfs/dbraw/zinc/78/32/56/537783256.db2.gz KJOCQCAISUXTIS-VNHYZAJKSA-N 2 0 238.419 3.014 10 0 BGAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000712030223 537783166 /nfs/dbraw/zinc/78/31/66/537783166.db2.gz KJOCQCAISUXTIS-YDHLFZDLSA-N 2 0 238.419 3.014 10 0 BGAERP CCCC1CCC2(CC1)[C@H]([NH3+])CC[N@@H+]2C(C)C ZINC000712043294 537783794 /nfs/dbraw/zinc/78/37/94/537783794.db2.gz RAEGIVDWCYRCFV-SHARSMKWSA-N 2 0 238.419 3.157 10 0 BGAERP CCCC1CCC2(CC1)[C@@H]([NH3+])CC[N@@H+]2C(C)C ZINC000712043295 537784039 /nfs/dbraw/zinc/78/40/39/537784039.db2.gz RAEGIVDWCYRCFV-SLTAFYQDSA-N 2 0 238.419 3.157 10 0 BGAERP CCCC1CCC2(CC1)[C@H]([NH3+])CC[N@@H+]2CCC ZINC000712055270 537783828 /nfs/dbraw/zinc/78/38/28/537783828.db2.gz GEFLXOWTURONEY-SHARSMKWSA-N 2 0 238.419 3.159 10 0 BGAERP CCCC1CCC2(CC1)[C@@H]([NH3+])CC[N@@H+]2CCC ZINC000712055273 537783583 /nfs/dbraw/zinc/78/35/83/537783583.db2.gz GEFLXOWTURONEY-SLTAFYQDSA-N 2 0 238.419 3.159 10 0 BGAERP CCC[N@@H+]1CC[C@@H]([NH3+])C12CCC(C(C)C)CC2 ZINC000712086575 537783398 /nfs/dbraw/zinc/78/33/98/537783398.db2.gz APZXVMWLUXOASG-SHARSMKWSA-N 2 0 238.419 3.014 10 0 BGAERP CCC[N@@H+]1CC[C@H]([NH3+])C12CCC(C(C)C)CC2 ZINC000712086581 537785012 /nfs/dbraw/zinc/78/50/12/537785012.db2.gz APZXVMWLUXOASG-SLTAFYQDSA-N 2 0 238.419 3.014 10 0 BGAERP CC(C)C1CCC2(CC1)[C@H]([NH3+])CC[N@@H+]2C(C)C ZINC000712094129 537784524 /nfs/dbraw/zinc/78/45/24/537784524.db2.gz QMNAFLWJBPTUJU-SHARSMKWSA-N 2 0 238.419 3.013 10 0 BGAERP CC(C)C1CCC2(CC1)[C@@H]([NH3+])CC[N@@H+]2C(C)C ZINC000712094130 537784495 /nfs/dbraw/zinc/78/44/95/537784495.db2.gz QMNAFLWJBPTUJU-SLTAFYQDSA-N 2 0 238.419 3.013 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000714750270 712497391 /nfs/dbraw/zinc/49/73/91/712497391.db2.gz OQVUUFZMBTUEDK-BFHYXJOUSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000714750271 712497339 /nfs/dbraw/zinc/49/73/39/712497339.db2.gz OQVUUFZMBTUEDK-HZSPNIEDSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000714750272 712497392 /nfs/dbraw/zinc/49/73/92/712497392.db2.gz OQVUUFZMBTUEDK-MELADBBJSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000714750273 712497112 /nfs/dbraw/zinc/49/71/12/712497112.db2.gz OQVUUFZMBTUEDK-MGPQQGTHSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+](C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000714750611 712497187 /nfs/dbraw/zinc/49/71/87/712497187.db2.gz UKAGAULETMVFJO-CHWSQXEVSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+](C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000714750612 712497402 /nfs/dbraw/zinc/49/74/02/712497402.db2.gz UKAGAULETMVFJO-STQMWFEESA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000714750613 712497404 /nfs/dbraw/zinc/49/74/04/712497404.db2.gz UKAGAULETMVFJO-WDNDVIMCSA-N 2 0 238.419 3.014 10 0 BGAERP CCC[C@@H](C1CCC1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714752519 712497083 /nfs/dbraw/zinc/49/70/83/712497083.db2.gz APQXMRHKQXEKBR-AWEZNQCLSA-N 2 0 238.419 3.159 10 0 BGAERP CCC[C@H](C1CCC1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714752520 712497415 /nfs/dbraw/zinc/49/74/15/712497415.db2.gz APQXMRHKQXEKBR-CQSZACIVSA-N 2 0 238.419 3.159 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000714752919 712497128 /nfs/dbraw/zinc/49/71/28/712497128.db2.gz FMHQOKGVZYDOGL-CHWSQXEVSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000714752920 712497354 /nfs/dbraw/zinc/49/73/54/712497354.db2.gz FMHQOKGVZYDOGL-OLZOCXBDSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000714752921 712497171 /nfs/dbraw/zinc/49/71/71/712497171.db2.gz FMHQOKGVZYDOGL-QWHCGFSZSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000714752922 712497327 /nfs/dbraw/zinc/49/73/27/712497327.db2.gz FMHQOKGVZYDOGL-STQMWFEESA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@H](C)CCC(C)C)CC1 ZINC000714752934 712497081 /nfs/dbraw/zinc/49/70/81/712497081.db2.gz FRCWQQVMFNNMIS-CYBMUJFWSA-N 2 0 226.408 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H](C)CCC(C)C)CC1 ZINC000714752935 712497374 /nfs/dbraw/zinc/49/73/74/712497374.db2.gz FRCWQQVMFNNMIS-ZDUSSCGKSA-N 2 0 226.408 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CCCC(C)(C)C2)CC1 ZINC000714753197 712497431 /nfs/dbraw/zinc/49/74/31/712497431.db2.gz IEHCCGDNHRHZRB-CYBMUJFWSA-N 2 0 238.419 3.159 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@H]2CCCC(C)(C)C2)CC1 ZINC000714753200 712497436 /nfs/dbraw/zinc/49/74/36/712497436.db2.gz IEHCCGDNHRHZRB-ZDUSSCGKSA-N 2 0 238.419 3.159 10 0 BGAERP CC[C@H]1CCC[C@H]([NH+]2CCC([NH3+])(CC)CC2)C1 ZINC000714753559 712497315 /nfs/dbraw/zinc/49/73/15/712497315.db2.gz FPPYTSPLHKEJLH-KBPBESRZSA-N 2 0 238.419 3.159 10 0 BGAERP CC[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])(CC)CC2)C1 ZINC000714753560 712497401 /nfs/dbraw/zinc/49/74/01/712497401.db2.gz FPPYTSPLHKEJLH-KGLIPLIRSA-N 2 0 238.419 3.159 10 0 BGAERP CC[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])(CC)CC2)C1 ZINC000714753561 712497338 /nfs/dbraw/zinc/49/73/38/712497338.db2.gz FPPYTSPLHKEJLH-UONOGXRCSA-N 2 0 238.419 3.159 10 0 BGAERP CC[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])(CC)CC2)C1 ZINC000714753562 712497163 /nfs/dbraw/zinc/49/71/63/712497163.db2.gz FPPYTSPLHKEJLH-ZIAGYGMSSA-N 2 0 238.419 3.159 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000714753615 712497201 /nfs/dbraw/zinc/49/72/01/712497201.db2.gz LQXBZLAHEXOPJG-BFHYXJOUSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000714753616 712497281 /nfs/dbraw/zinc/49/72/81/712497281.db2.gz LQXBZLAHEXOPJG-HZSPNIEDSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000714753617 712497136 /nfs/dbraw/zinc/49/71/36/712497136.db2.gz LQXBZLAHEXOPJG-MELADBBJSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2C[C@H](C)CC[C@H]2C)CC1 ZINC000714753618 712497617 /nfs/dbraw/zinc/49/76/17/712497617.db2.gz LQXBZLAHEXOPJG-MGPQQGTHSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@H](C)CC(C)(C)C)CC1 ZINC000714753662 712497614 /nfs/dbraw/zinc/49/76/14/712497614.db2.gz MYGRIBAQQKVQLB-GFCCVEGCSA-N 2 0 226.408 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H](C)CC(C)(C)C)CC1 ZINC000714753663 712497912 /nfs/dbraw/zinc/49/79/12/712497912.db2.gz MYGRIBAQQKVQLB-LBPRGKRZSA-N 2 0 226.408 3.014 10 0 BGAERP CC[C@H]1CCCC[C@@H]1[NH+]1CCC([NH3+])(CC)CC1 ZINC000714753820 712498005 /nfs/dbraw/zinc/49/80/05/712498005.db2.gz HZXQEYLJQFOOGM-KBPBESRZSA-N 2 0 238.419 3.159 10 0 BGAERP CC[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH3+])(CC)CC1 ZINC000714753821 712497562 /nfs/dbraw/zinc/49/75/62/712497562.db2.gz HZXQEYLJQFOOGM-KGLIPLIRSA-N 2 0 238.419 3.159 10 0 BGAERP CC[C@H]1CCCC[C@H]1[NH+]1CCC([NH3+])(CC)CC1 ZINC000714753822 712497628 /nfs/dbraw/zinc/49/76/28/712497628.db2.gz HZXQEYLJQFOOGM-UONOGXRCSA-N 2 0 238.419 3.159 10 0 BGAERP CC[C@@H]1CCCC[C@H]1[NH+]1CCC([NH3+])(CC)CC1 ZINC000714753823 712497739 /nfs/dbraw/zinc/49/77/39/712497739.db2.gz HZXQEYLJQFOOGM-ZIAGYGMSSA-N 2 0 238.419 3.159 10 0 BGAERP CCCC[C@@H](CC)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754133 712497646 /nfs/dbraw/zinc/49/76/46/712497646.db2.gz PKOUODFSSTYLCW-CYBMUJFWSA-N 2 0 226.408 3.159 10 0 BGAERP CCCC[C@H](CC)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754136 712497886 /nfs/dbraw/zinc/49/78/86/712497886.db2.gz PKOUODFSSTYLCW-ZDUSSCGKSA-N 2 0 226.408 3.159 10 0 BGAERP CCC1CCC([NH+]2CCC([NH3+])(CC)CC2)CC1 ZINC000714754500 712497783 /nfs/dbraw/zinc/49/77/83/712497783.db2.gz VCAIHQWDBQJDPU-UHFFFAOYSA-N 2 0 238.419 3.159 10 0 BGAERP CCCC(CCC)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754504 712497584 /nfs/dbraw/zinc/49/75/84/712497584.db2.gz VLPYFSGWUBVARU-UHFFFAOYSA-N 2 0 226.408 3.159 10 0 BGAERP CCC1([NH3+])CC[NH+](CC2CCC(C)CC2)CC1 ZINC000714754727 712497703 /nfs/dbraw/zinc/49/77/03/712497703.db2.gz YNGZCGIKHLJXCV-UHFFFAOYSA-N 2 0 238.419 3.016 10 0 BGAERP CCCCC[C@@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754851 712497791 /nfs/dbraw/zinc/49/77/91/712497791.db2.gz YMZKHGYKSPYRKF-CYBMUJFWSA-N 2 0 226.408 3.159 10 0 BGAERP CCCCC[C@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754852 712497615 /nfs/dbraw/zinc/49/76/15/712497615.db2.gz YMZKHGYKSPYRKF-ZDUSSCGKSA-N 2 0 226.408 3.159 10 0 BGAERP CCC1([NH3+])CC[NH+](C2[C@H](C)CCC[C@H]2C)CC1 ZINC000714754856 712497722 /nfs/dbraw/zinc/49/77/22/712497722.db2.gz YNQVASJKQBXZJN-CHWSQXEVSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+](C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000714754858 712497707 /nfs/dbraw/zinc/49/77/07/712497707.db2.gz YNQVASJKQBXZJN-STQMWFEESA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000714754860 712497596 /nfs/dbraw/zinc/49/75/96/712497596.db2.gz YNQVASJKQBXZJN-WDNDVIMCSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+](C2CCC(C)(C)CC2)CC1 ZINC000714754912 712497557 /nfs/dbraw/zinc/49/75/57/712497557.db2.gz ZLWCDPTZPGWEAN-UHFFFAOYSA-N 2 0 238.419 3.159 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000714756929 712497607 /nfs/dbraw/zinc/49/76/07/712497607.db2.gz HITBFSNNXLYTME-AWEZNQCLSA-N 2 0 246.398 3.259 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000714756937 712497876 /nfs/dbraw/zinc/49/78/76/712497876.db2.gz HITBFSNNXLYTME-CQSZACIVSA-N 2 0 246.398 3.259 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000714757229 712497757 /nfs/dbraw/zinc/49/77/57/712497757.db2.gz HJAZQHSMXKRFAI-BFHYXJOUSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000714757230 712497664 /nfs/dbraw/zinc/49/76/64/712497664.db2.gz HJAZQHSMXKRFAI-HZSPNIEDSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000714757231 712497736 /nfs/dbraw/zinc/49/77/36/712497736.db2.gz HJAZQHSMXKRFAI-MELADBBJSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000714757232 712497655 /nfs/dbraw/zinc/49/76/55/712497655.db2.gz HJAZQHSMXKRFAI-MGPQQGTHSA-N 2 0 238.419 3.014 10 0 BGAERP CC[C@@H](c1ccccc1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714757461 712497690 /nfs/dbraw/zinc/49/76/90/712497690.db2.gz IWCQAUHDSQYWHV-HNNXBMFYSA-N 2 0 246.398 3.341 10 0 BGAERP CC[C@H](c1ccccc1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714757464 712497884 /nfs/dbraw/zinc/49/78/84/712497884.db2.gz IWCQAUHDSQYWHV-OAHLLOKOSA-N 2 0 246.398 3.341 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@H](C)c2cccs2)CC1 ZINC000714758393 712497860 /nfs/dbraw/zinc/49/78/60/712497860.db2.gz NQBZSFGPCLKESW-LLVKDONJSA-N 2 0 238.400 3.012 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H](C)c2cccs2)CC1 ZINC000714758396 712497920 /nfs/dbraw/zinc/49/79/20/712497920.db2.gz NQBZSFGPCLKESW-NSHDSACASA-N 2 0 238.400 3.012 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(C)cc2)CC1 ZINC000714758467 712497605 /nfs/dbraw/zinc/49/76/05/712497605.db2.gz OBADNKQWQVIGPS-AWEZNQCLSA-N 2 0 246.398 3.259 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(C)cc2)CC1 ZINC000714758470 712497847 /nfs/dbraw/zinc/49/78/47/712497847.db2.gz OBADNKQWQVIGPS-CQSZACIVSA-N 2 0 246.398 3.259 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@H](C)CC2CCCC2)CC1 ZINC000714758484 712497732 /nfs/dbraw/zinc/49/77/32/712497732.db2.gz ODFSIEXLJRADCO-CYBMUJFWSA-N 2 0 238.419 3.159 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H](C)CC2CCCC2)CC1 ZINC000714758487 712497660 /nfs/dbraw/zinc/49/76/60/712497660.db2.gz ODFSIEXLJRADCO-ZDUSSCGKSA-N 2 0 238.419 3.159 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000714758960 712497566 /nfs/dbraw/zinc/49/75/66/712497566.db2.gz PWVLXYRSILESLC-AWEZNQCLSA-N 2 0 246.398 3.259 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000714758965 712497963 /nfs/dbraw/zinc/49/79/63/712497963.db2.gz PWVLXYRSILESLC-CQSZACIVSA-N 2 0 246.398 3.259 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CCCCC2(C)C)CC1 ZINC000714759233 712497543 /nfs/dbraw/zinc/49/75/43/712497543.db2.gz SIXVUUFNRNFPPO-CYBMUJFWSA-N 2 0 238.419 3.159 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@H]2CCCCC2(C)C)CC1 ZINC000714759237 712497830 /nfs/dbraw/zinc/49/78/30/712497830.db2.gz SIXVUUFNRNFPPO-ZDUSSCGKSA-N 2 0 238.419 3.159 10 0 BGAERP CCC1([NH3+])CC[NH+](C2CCCCCCC2)CC1 ZINC000714759592 712497864 /nfs/dbraw/zinc/49/78/64/712497864.db2.gz VGJHDJFMAMNNDG-UHFFFAOYSA-N 2 0 238.419 3.303 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000714759864 712498624 /nfs/dbraw/zinc/49/86/24/712498624.db2.gz YALQSIAHEHBWCL-LLVKDONJSA-N 2 0 238.400 3.012 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000714759868 712498519 /nfs/dbraw/zinc/49/85/19/712498519.db2.gz YALQSIAHEHBWCL-NSHDSACASA-N 2 0 238.400 3.012 10 0 BGAERP CC[C@@H](C1CCCC1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714760019 712498192 /nfs/dbraw/zinc/49/81/92/712498192.db2.gz YZORELIMHVJORO-AWEZNQCLSA-N 2 0 238.419 3.159 10 0 BGAERP CC[C@H](C1CCCC1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714760020 712498324 /nfs/dbraw/zinc/49/83/24/712498324.db2.gz YZORELIMHVJORO-CQSZACIVSA-N 2 0 238.419 3.159 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CC[C@H](C)C[C@H]2C)CC1 ZINC000714760024 712498615 /nfs/dbraw/zinc/49/86/15/712498615.db2.gz ZDUPLNRREKLOQB-BFHYXJOUSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000714760025 712498651 /nfs/dbraw/zinc/49/86/51/712498651.db2.gz ZDUPLNRREKLOQB-HZSPNIEDSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000714760026 712498232 /nfs/dbraw/zinc/49/82/32/712498232.db2.gz ZDUPLNRREKLOQB-MELADBBJSA-N 2 0 238.419 3.014 10 0 BGAERP CCC1([NH3+])CC[NH+]([C@@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000714760027 712498431 /nfs/dbraw/zinc/49/84/31/712498431.db2.gz ZDUPLNRREKLOQB-MGPQQGTHSA-N 2 0 238.419 3.014 10 0 BGAERP C[NH+](C)CCCC[NH2+][C@H]1CCCCCC1(C)C ZINC000719230188 712800863 /nfs/dbraw/zinc/80/08/63/712800863.db2.gz ZXYLPVDHFRVMOT-AWEZNQCLSA-N 2 0 240.435 3.277 10 0 BGAERP C[NH+](C)CCCC[NH2+][C@@H]1CCCCCC1(C)C ZINC000719230192 712800939 /nfs/dbraw/zinc/80/09/39/712800939.db2.gz ZXYLPVDHFRVMOT-CQSZACIVSA-N 2 0 240.435 3.277 10 0 BGAERP CCCCCC[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757130941 582504861 /nfs/dbraw/zinc/50/48/61/582504861.db2.gz OSHMVTBMBAMUJA-CABCVRRESA-N 2 0 238.419 3.173 10 0 BGAERP CCCCCC[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757130960 582504970 /nfs/dbraw/zinc/50/49/70/582504970.db2.gz OSHMVTBMBAMUJA-GJZGRUSLSA-N 2 0 238.419 3.173 10 0 BGAERP CCCCCC[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757130973 582504942 /nfs/dbraw/zinc/50/49/42/582504942.db2.gz OSHMVTBMBAMUJA-HUUCEWRRSA-N 2 0 238.419 3.173 10 0 BGAERP CCCCCC[N@@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757130977 582504643 /nfs/dbraw/zinc/50/46/43/582504643.db2.gz OSHMVTBMBAMUJA-LSDHHAIUSA-N 2 0 238.419 3.173 10 0 BGAERP CCCCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757132542 582507451 /nfs/dbraw/zinc/50/74/51/582507451.db2.gz RGRCIFHZQOKWBG-CABCVRRESA-N 2 0 238.419 3.031 10 0 BGAERP CCCCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757132546 582507785 /nfs/dbraw/zinc/50/77/85/582507785.db2.gz RGRCIFHZQOKWBG-GJZGRUSLSA-N 2 0 238.419 3.031 10 0 BGAERP CCCCCC[N@@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757132555 582507658 /nfs/dbraw/zinc/50/76/58/582507658.db2.gz RGRCIFHZQOKWBG-HUUCEWRRSA-N 2 0 238.419 3.031 10 0 BGAERP CCCCCC[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757132558 582507668 /nfs/dbraw/zinc/50/76/68/582507668.db2.gz RGRCIFHZQOKWBG-LSDHHAIUSA-N 2 0 238.419 3.031 10 0 BGAERP CCCCCC[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757132888 582508195 /nfs/dbraw/zinc/50/81/95/582508195.db2.gz SAYZGEJLWXSHMV-CABCVRRESA-N 2 0 238.419 3.173 10 0 BGAERP CCCCCC[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757132890 582508256 /nfs/dbraw/zinc/50/82/56/582508256.db2.gz SAYZGEJLWXSHMV-GJZGRUSLSA-N 2 0 238.419 3.173 10 0 BGAERP CCCCCC[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757132897 582508173 /nfs/dbraw/zinc/50/81/73/582508173.db2.gz SAYZGEJLWXSHMV-HUUCEWRRSA-N 2 0 238.419 3.173 10 0 BGAERP CCCCCC[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757132903 582508164 /nfs/dbraw/zinc/50/81/64/582508164.db2.gz SAYZGEJLWXSHMV-LSDHHAIUSA-N 2 0 238.419 3.173 10 0 BGAERP C[C@@H]1CC[NH2+][C@@H](c2ccc(C3CC3)c(C[NH3+])c2)C1 ZINC000757234571 586443241 /nfs/dbraw/zinc/44/32/41/586443241.db2.gz KQFMIEYOCFGURD-BDJLRTHQSA-N 2 0 244.382 3.083 10 0 BGAERP C[C@@H]1CC[NH2+][C@H](c2ccc(C3CC3)c(C[NH3+])c2)C1 ZINC000757234574 586443210 /nfs/dbraw/zinc/44/32/10/586443210.db2.gz KQFMIEYOCFGURD-BZNIZROVSA-N 2 0 244.382 3.083 10 0 BGAERP C[C@H]1CC[NH2+][C@@H](c2ccc(C3CC3)c(C[NH3+])c2)C1 ZINC000757234580 586443297 /nfs/dbraw/zinc/44/32/97/586443297.db2.gz KQFMIEYOCFGURD-MEDUHNTESA-N 2 0 244.382 3.083 10 0 BGAERP C[C@H]1CC[NH2+][C@H](c2ccc(C3CC3)c(C[NH3+])c2)C1 ZINC000757234584 586443463 /nfs/dbraw/zinc/44/34/63/586443463.db2.gz KQFMIEYOCFGURD-ZBEGNZNMSA-N 2 0 244.382 3.083 10 0 BGAERP C[C@@H]1CCC[NH2+][C@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757234636 643373925 /nfs/dbraw/zinc/37/39/25/643373925.db2.gz KXOVAZJGSYXMRN-BDJLRTHQSA-N 2 0 244.382 3.083 10 0 BGAERP C[C@@H]1CCC[NH2+][C@@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757234637 582563343 /nfs/dbraw/zinc/56/33/43/582563343.db2.gz KXOVAZJGSYXMRN-BZNIZROVSA-N 2 0 244.382 3.083 10 0 BGAERP C[C@H]1CCC[NH2+][C@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757234638 582563653 /nfs/dbraw/zinc/56/36/53/582563653.db2.gz KXOVAZJGSYXMRN-MEDUHNTESA-N 2 0 244.382 3.083 10 0 BGAERP C[C@H]1CCC[NH2+][C@@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757234639 582563616 /nfs/dbraw/zinc/56/36/16/582563616.db2.gz KXOVAZJGSYXMRN-ZBEGNZNMSA-N 2 0 244.382 3.083 10 0 BGAERP C[C@@H]1CC[C@H](c2ccc(C3CC3)c(C[NH3+])c2)[NH2+]C1 ZINC000757237379 586443814 /nfs/dbraw/zinc/44/38/14/586443814.db2.gz PYXCSQHRCLAKSP-BDJLRTHQSA-N 2 0 244.382 3.083 10 0 BGAERP C[C@@H]1CC[C@@H](c2ccc(C3CC3)c(C[NH3+])c2)[NH2+]C1 ZINC000757237383 586443550 /nfs/dbraw/zinc/44/35/50/586443550.db2.gz PYXCSQHRCLAKSP-BZNIZROVSA-N 2 0 244.382 3.083 10 0 BGAERP C[C@H]1CC[C@H](c2ccc(C3CC3)c(C[NH3+])c2)[NH2+]C1 ZINC000757237396 586443883 /nfs/dbraw/zinc/44/38/83/586443883.db2.gz PYXCSQHRCLAKSP-MEDUHNTESA-N 2 0 244.382 3.083 10 0 BGAERP C[C@H]1CC[C@@H](c2ccc(C3CC3)c(C[NH3+])c2)[NH2+]C1 ZINC000757237402 643372368 /nfs/dbraw/zinc/37/23/68/643372368.db2.gz PYXCSQHRCLAKSP-ZBEGNZNMSA-N 2 0 244.382 3.083 10 0 BGAERP