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 171296944 /nfs/dbraw/zinc/29/69/44/171296944.db2.gz UQRQHADLTNLWHF-KKUMJFAQSA-N 2 1 240.435 3.405 10 0 BGAEMP Cc1[nH+]ccn1C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000019280438 180268611 /nfs/dbraw/zinc/26/86/11/180268611.db2.gz GDHMYJQQGBRRCN-HNNXBMFYSA-N 2 1 243.354 3.015 10 0 BGAEMP Cc1[nH+]ccn1C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000019280440 180265252 /nfs/dbraw/zinc/26/52/52/180265252.db2.gz GDHMYJQQGBRRCN-OAHLLOKOSA-N 2 1 243.354 3.015 10 0 BGAEMP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2ccccc2)C1 ZINC000019807905 176134226 /nfs/dbraw/zinc/13/42/26/176134226.db2.gz GEHWPHJSKLNXPA-GDBMZVCRSA-N 2 1 246.398 3.026 10 0 BGAEMP C[C@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2ccccc2)C1 ZINC000019807906 177127908 /nfs/dbraw/zinc/12/79/08/177127908.db2.gz GEHWPHJSKLNXPA-GOEBONIOSA-N 2 1 246.398 3.026 10 0 BGAEMP C[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2ccccc2)C1 ZINC000019807908 176151491 /nfs/dbraw/zinc/15/14/91/176151491.db2.gz GEHWPHJSKLNXPA-ZBFHGGJFSA-N 2 1 246.398 3.026 10 0 BGAEMP C[C@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2ccccc2)C1 ZINC000019807909 177143901 /nfs/dbraw/zinc/14/39/01/177143901.db2.gz GEHWPHJSKLNXPA-HOCLYGCPSA-N 2 1 246.398 3.026 10 0 BGAEMP CC1CCC(C[NH3+])([N@@H+](C)Cc2ccccc2)CC1 ZINC000019807910 168154069 /nfs/dbraw/zinc/15/40/69/168154069.db2.gz RZKZRXDAPQRZPE-UHFFFAOYSA-N 2 1 246.398 3.026 10 0 BGAEMP CCC[NH+](CCC)CC[C@@H]([NH3+])c1ccccc1 ZINC000020072238 169146709 /nfs/dbraw/zinc/14/67/09/169146709.db2.gz QDGXLJOZIYJVCG-OAHLLOKOSA-N 2 1 234.387 3.199 10 0 BGAEMP CCC[NH+](CCC)CC[C@H]([NH3+])c1ccccc1 ZINC000020072240 169147069 /nfs/dbraw/zinc/14/70/69/169147069.db2.gz QDGXLJOZIYJVCG-HNNXBMFYSA-N 2 1 234.387 3.199 10 0 BGAEMP CC(C)C[C@@H]([NH3+])C[N@@H+](Cc1ccccc1)C(C)C ZINC000020072414 188351987 /nfs/dbraw/zinc/35/19/87/188351987.db2.gz FFTGQVYLEXJGCU-MRXNPFEDSA-N 2 1 248.414 3.270 10 0 BGAEMP CC(C)C[C@@H]([NH3+])C[N@H+](Cc1ccccc1)C(C)C ZINC000020072414 188351985 /nfs/dbraw/zinc/35/19/85/188351985.db2.gz FFTGQVYLEXJGCU-MRXNPFEDSA-N 2 1 248.414 3.270 10 0 BGAEMP CC[C@H](C)[C@@H]([NH3+])C[N@@H+](Cc1ccccc1)C(C)C ZINC000020072425 171372997 /nfs/dbraw/zinc/37/29/97/171372997.db2.gz XBHVHRAAZDSCLT-HOCLYGCPSA-N 2 1 248.414 3.270 10 0 BGAEMP CC[C@H](C)[C@@H]([NH3+])C[N@H+](Cc1ccccc1)C(C)C ZINC000020072425 171372995 /nfs/dbraw/zinc/37/29/95/171372995.db2.gz XBHVHRAAZDSCLT-HOCLYGCPSA-N 2 1 248.414 3.270 10 0 BGAEMP Cc1cccc(C[N@H+](C)C2(C[NH3+])CCCCC2)c1 ZINC000020226846 179064584 /nfs/dbraw/zinc/06/45/84/179064584.db2.gz RBPWMVGODNUEQO-UHFFFAOYSA-N 2 1 246.398 3.088 10 0 BGAEMP Cc1ccccc1[C@H]([NH3+])Cn1cc[nH+]c1C(C)C ZINC000020262119 179343505 /nfs/dbraw/zinc/34/35/05/179343505.db2.gz UBRLMWPJDFDTHG-CQSZACIVSA-N 2 1 243.354 3.015 10 0 BGAEMP Cc1ccccc1[C@@H]([NH3+])Cn1cc[nH+]c1C(C)C ZINC000020262121 179324073 /nfs/dbraw/zinc/32/40/73/179324073.db2.gz UBRLMWPJDFDTHG-AWEZNQCLSA-N 2 1 243.354 3.015 10 0 BGAEMP CCC(CC)[C@H](C[NH2+][C@H](C)CC(C)C)[NH+](C)C ZINC000021015920 168406439 /nfs/dbraw/zinc/40/64/39/168406439.db2.gz BTCVXTGGFBYHBB-HIFRSBDPSA-N 2 1 242.451 3.377 10 0 BGAEMP CC(C)[C@@H](C[NH2+]C1CCCCCCC1)[NH+](C)C ZINC000021061714 167399443 /nfs/dbraw/zinc/39/94/43/167399443.db2.gz MBZRSHRHHFLHFP-OAHLLOKOSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(CC)C[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000021790616 168360391 /nfs/dbraw/zinc/36/03/91/168360391.db2.gz NMMHDTVITLVZBD-UHFFFAOYSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[C@@H](C)C[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000021808729 169358857 /nfs/dbraw/zinc/35/88/57/169358857.db2.gz MDNHDFTWDWEVPC-CQSZACIVSA-N 2 1 240.435 3.277 10 0 BGAEMP Cc1[nH+]ccn1[C@@H](C(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000023066715 180270718 /nfs/dbraw/zinc/27/07/18/180270718.db2.gz CMFKOKXVNHLVAI-GJZGRUSLSA-N 2 1 243.354 3.089 10 0 BGAEMP Cc1[nH+]ccn1[C@H](C(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000023066717 180270734 /nfs/dbraw/zinc/27/07/34/180270734.db2.gz CMFKOKXVNHLVAI-LSDHHAIUSA-N 2 1 243.354 3.089 10 0 BGAEMP Cc1[nH+]ccn1[C@@H](C(C)C)[C@H]([NH3+])c1ccccc1 ZINC000023066718 180272251 /nfs/dbraw/zinc/27/22/51/180272251.db2.gz CMFKOKXVNHLVAI-CABCVRRESA-N 2 1 243.354 3.089 10 0 BGAEMP Cc1[nH+]ccn1[C@H](C(C)C)[C@H]([NH3+])c1ccccc1 ZINC000023066720 180271472 /nfs/dbraw/zinc/27/14/72/180271472.db2.gz CMFKOKXVNHLVAI-HUUCEWRRSA-N 2 1 243.354 3.089 10 0 BGAEMP Cc1ccccc1C[N@@H+](CC[NH3+])C1CCCCC1 ZINC000032102657 179272359 /nfs/dbraw/zinc/27/23/59/179272359.db2.gz VZCCGNMDRNVIMV-UHFFFAOYSA-N 2 1 246.398 3.088 10 0 BGAEMP Cc1ccccc1C[N@H+](CC[NH3+])C1CCCCC1 ZINC000032102657 179272356 /nfs/dbraw/zinc/27/23/56/179272356.db2.gz VZCCGNMDRNVIMV-UHFFFAOYSA-N 2 1 246.398 3.088 10 0 BGAEMP Cc1cccc(C[N@@H+](CC[NH3+])C2CCCCC2)c1 ZINC000032102659 179071451 /nfs/dbraw/zinc/07/14/51/179071451.db2.gz QYXFQYUGMSHYQW-UHFFFAOYSA-N 2 1 246.398 3.088 10 0 BGAEMP Cc1cccc(C[N@H+](CC[NH3+])C2CCCCC2)c1 ZINC000032102659 179071450 /nfs/dbraw/zinc/07/14/50/179071450.db2.gz QYXFQYUGMSHYQW-UHFFFAOYSA-N 2 1 246.398 3.088 10 0 BGAEMP CCC[C@](C)(C[NH3+])[N@@H+](CC)Cc1ccccc1 ZINC000034958049 351364211 /nfs/dbraw/zinc/36/42/11/351364211.db2.gz UVEPJCJMYICHBD-OAHLLOKOSA-N 2 1 234.387 3.026 10 0 BGAEMP C[C@@H]1CCCC[C@]1(CN)[N@@H+](C)C1CCCCC1 ZINC000035176698 176090006 /nfs/dbraw/zinc/09/00/06/176090006.db2.gz ATXGGIFAJONNJQ-UKRRQHHQSA-N 2 1 238.419 3.159 10 0 BGAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000035206593 386784371 /nfs/dbraw/zinc/78/43/71/386784371.db2.gz AUKFMNHOJFJCOL-JKSUJKDBSA-N 2 1 246.398 3.169 10 0 BGAEMP C[N@H+](Cc1ccccc1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000035206593 386784366 /nfs/dbraw/zinc/78/43/66/386784366.db2.gz AUKFMNHOJFJCOL-JKSUJKDBSA-N 2 1 246.398 3.169 10 0 BGAEMP C[N@@H+](Cc1ccccc1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000035206594 386784642 /nfs/dbraw/zinc/78/46/42/386784642.db2.gz AUKFMNHOJFJCOL-HOTGVXAUSA-N 2 1 246.398 3.169 10 0 BGAEMP C[N@H+](Cc1ccccc1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000035206594 386784636 /nfs/dbraw/zinc/78/46/36/386784636.db2.gz AUKFMNHOJFJCOL-HOTGVXAUSA-N 2 1 246.398 3.169 10 0 BGAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)C2CCCCC2)C1 ZINC000035234767 176224505 /nfs/dbraw/zinc/22/45/05/176224505.db2.gz DQJNCQMSYUJVHJ-UMVBOHGHSA-N 2 1 238.419 3.014 10 0 BGAEMP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)C2CCCCC2)C1 ZINC000035234769 176202507 /nfs/dbraw/zinc/20/25/07/176202507.db2.gz DQJNCQMSYUJVHJ-VNHYZAJKSA-N 2 1 238.419 3.014 10 0 BGAEMP CCC[N@@H+](CC1CC1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000035452121 169138824 /nfs/dbraw/zinc/13/88/24/169138824.db2.gz FUTALNPVEZXRFP-HUUCEWRRSA-N 2 1 238.419 3.016 10 0 BGAEMP CCC[N@@H+](CC1CC1)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000035452124 169137479 /nfs/dbraw/zinc/13/74/79/169137479.db2.gz FUTALNPVEZXRFP-CABCVRRESA-N 2 1 238.419 3.016 10 0 BGAEMP CCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000036198723 169177094 /nfs/dbraw/zinc/17/70/94/169177094.db2.gz VUBYJOXLVDYNJM-HZPDHXFCSA-N 2 1 246.398 3.026 10 0 BGAEMP CCC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000036198725 169177576 /nfs/dbraw/zinc/17/75/76/169177576.db2.gz VUBYJOXLVDYNJM-CVEARBPZSA-N 2 1 246.398 3.026 10 0 BGAEMP CCC[N@@H+](Cc1ccccc1)[C@@H](CC)CC[NH3+] ZINC000036198745 169178020 /nfs/dbraw/zinc/17/80/20/169178020.db2.gz LQQRBYWCOZOZNY-HNNXBMFYSA-N 2 1 234.387 3.026 10 0 BGAEMP CCC[N@@H+](Cc1ccccc1)[C@H](CC)CC[NH3+] ZINC000036198747 169178136 /nfs/dbraw/zinc/17/81/36/169178136.db2.gz LQQRBYWCOZOZNY-OAHLLOKOSA-N 2 1 234.387 3.026 10 0 BGAEMP CCC(CC)C[N@@H+](CC)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000036198888 168351330 /nfs/dbraw/zinc/35/13/30/168351330.db2.gz HHACXJJCLGDARA-HUUCEWRRSA-N 2 1 240.435 3.262 10 0 BGAEMP CCC(CC)C[N@@H+](CC)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000036198890 168349735 /nfs/dbraw/zinc/34/97/35/168349735.db2.gz HHACXJJCLGDARA-CABCVRRESA-N 2 1 240.435 3.262 10 0 BGAEMP CCC(CC)C[N@@H+](CC)Cc1ccccc1C[NH3+] ZINC000036198925 168351428 /nfs/dbraw/zinc/35/14/28/168351428.db2.gz HBBTTWIXQCISIP-UHFFFAOYSA-N 2 1 248.414 3.403 10 0 BGAEMP CCC(CC)C[N@@H+](CC)Cc1ccc(C[NH3+])cc1 ZINC000036198927 168351358 /nfs/dbraw/zinc/35/13/58/168351358.db2.gz YPDBNQLVDJTFLO-UHFFFAOYSA-N 2 1 248.414 3.403 10 0 BGAEMP [NH3+]CCC[N@@H+](C1CCCC1)C1CCCCCC1 ZINC000036732268 181380127 /nfs/dbraw/zinc/38/01/27/181380127.db2.gz VWMWKIDXAJXRCK-UHFFFAOYSA-N 2 1 238.419 3.303 10 0 BGAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)[C@@H](C)C(C)C)C1 ZINC000036786619 171056154 /nfs/dbraw/zinc/05/61/54/171056154.db2.gz ZIIJTHGJZVFLHY-GBJTYRQASA-N 2 1 240.435 3.116 10 0 BGAEMP CCC(CC)[N@@H+](C)[C@@H]1C[C@H](CC)CC[C@@H]1C[NH3+] ZINC000036788547 168369297 /nfs/dbraw/zinc/36/92/97/168369297.db2.gz OYCBLXPFYIYJGZ-UMVBOHGHSA-N 2 1 240.435 3.260 10 0 BGAEMP CCC(CC)[N@@H+](C)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000036788548 168369105 /nfs/dbraw/zinc/36/91/05/168369105.db2.gz OYCBLXPFYIYJGZ-GZBFAFLISA-N 2 1 240.435 3.260 10 0 BGAEMP CCC(CC)[N@@H+](C)[C@@H]1C[C@H](CC)CC[C@H]1C[NH3+] ZINC000036788549 168369123 /nfs/dbraw/zinc/36/91/23/168369123.db2.gz OYCBLXPFYIYJGZ-VNHYZAJKSA-N 2 1 240.435 3.260 10 0 BGAEMP CC[C@H](C)C[C@@](CC)(CN)[N@H+]1CCC[C@H](C)C1 ZINC000036849301 171296656 /nfs/dbraw/zinc/29/66/56/171296656.db2.gz BTAFPCYAJAKMNO-KKUMJFAQSA-N 2 1 240.435 3.262 10 0 BGAEMP CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@H](n2cc[nH+]c2C)C1 ZINC000036875254 168303789 /nfs/dbraw/zinc/30/37/89/168303789.db2.gz AIIRMIYPIKAHOE-HZSPNIEDSA-N 2 1 249.402 3.296 10 0 BGAEMP CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](n2cc[nH+]c2C)C1 ZINC000036875256 168304114 /nfs/dbraw/zinc/30/41/14/168304114.db2.gz AIIRMIYPIKAHOE-MGPQQGTHSA-N 2 1 249.402 3.296 10 0 BGAEMP CCC[N@@H+](CC)[C@@H](CN)c1ccc(C)cc1C ZINC000037094649 169132299 /nfs/dbraw/zinc/13/22/99/169132299.db2.gz QEYSBGOTGAZDRA-HNNXBMFYSA-N 2 1 234.387 3.035 10 0 BGAEMP CCC[N@@H+](CC)[C@H](CN)c1ccc(C)cc1C ZINC000037094650 169131573 /nfs/dbraw/zinc/13/15/73/169131573.db2.gz QEYSBGOTGAZDRA-OAHLLOKOSA-N 2 1 234.387 3.035 10 0 BGAEMP CC[C@H](C)[N@@H+](CC)CC[C@H]([NH3+])c1ccccc1 ZINC000037113396 171312022 /nfs/dbraw/zinc/31/20/22/171312022.db2.gz CMQLSOQYLMWQBO-ZFWWWQNUSA-N 2 1 234.387 3.197 10 0 BGAEMP CC[C@H](C)[N@H+](CC)CC[C@H]([NH3+])c1ccccc1 ZINC000037113396 171312020 /nfs/dbraw/zinc/31/20/20/171312020.db2.gz CMQLSOQYLMWQBO-ZFWWWQNUSA-N 2 1 234.387 3.197 10 0 BGAEMP C[C@@H]1C[C@H](C)C[N@H+](CC[C@H]([NH3+])c2ccccc2)C1 ZINC000037115996 177313655 /nfs/dbraw/zinc/31/36/55/177313655.db2.gz GBNMWQFQAYYVOF-LZWOXQAQSA-N 2 1 246.398 3.054 10 0 BGAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])c1ccccc1 ZINC000037116008 177116794 /nfs/dbraw/zinc/11/67/94/177116794.db2.gz MEVPIADOSBCKJL-LZWOXQAQSA-N 2 1 246.398 3.339 10 0 BGAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+]2CCCC[C@@H]2C)C1 ZINC000037157078 171056582 /nfs/dbraw/zinc/05/65/82/171056582.db2.gz GMAYGQKKMQOIJO-GBJTYRQASA-N 2 1 238.419 3.014 10 0 BGAEMP Cc1[nH+]ccn1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000037160011 180271308 /nfs/dbraw/zinc/27/13/08/180271308.db2.gz FWFJIIXADQWYSS-MGPQQGTHSA-N 2 1 249.402 3.154 10 0 BGAEMP Cc1[nH+]ccn1[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000037160012 180271969 /nfs/dbraw/zinc/27/19/69/180271969.db2.gz FWFJIIXADQWYSS-MCIONIFRSA-N 2 1 249.402 3.154 10 0 BGAEMP Cc1[nH+]ccn1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000037160014 180271383 /nfs/dbraw/zinc/27/13/83/180271383.db2.gz FWFJIIXADQWYSS-HZSPNIEDSA-N 2 1 249.402 3.154 10 0 BGAEMP Cc1[nH+]ccn1[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000037160016 180270887 /nfs/dbraw/zinc/27/08/87/180270887.db2.gz FWFJIIXADQWYSS-RDBSUJKOSA-N 2 1 249.402 3.154 10 0 BGAEMP CCC(CC)[NH2+]C1CC[NH+](CC=C(C)C)CC1 ZINC000037187008 168387677 /nfs/dbraw/zinc/38/76/77/168387677.db2.gz JGRURYSLIRTMOZ-UHFFFAOYSA-N 2 1 238.419 3.195 10 0 BGAEMP CCC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000037241327 169255822 /nfs/dbraw/zinc/25/58/22/169255822.db2.gz XLODQCUVDSRCNB-AWEZNQCLSA-N 2 1 246.398 3.212 10 0 BGAEMP CCC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000037241329 169255440 /nfs/dbraw/zinc/25/54/40/169255440.db2.gz XLODQCUVDSRCNB-CQSZACIVSA-N 2 1 246.398 3.212 10 0 BGAEMP CC[C@H](C)[NH2+]CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000037617954 171340381 /nfs/dbraw/zinc/34/03/81/171340381.db2.gz ZXBVZMQEKBLMOC-ZNMIVQPWSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000037617954 171340380 /nfs/dbraw/zinc/34/03/80/171340380.db2.gz ZXBVZMQEKBLMOC-ZNMIVQPWSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[N@@H+](CC1CCC([NH3+])CC1)C1CCCCC1 ZINC000037630848 169812127 /nfs/dbraw/zinc/81/21/27/169812127.db2.gz CBFTZKYOSJIFKK-UHFFFAOYSA-N 2 1 238.419 3.159 10 0 BGAEMP Cc1ccc(C[N@H+](C)CCCC[NH2+]C(C)C)cc1 ZINC000037634927 188114233 /nfs/dbraw/zinc/11/42/33/188114233.db2.gz QYPSWNYEPMDNLU-UHFFFAOYSA-N 2 1 248.414 3.205 10 0 BGAEMP CC(C)[NH2+]CCCC[N@@H+](C)C1CCCCCC1 ZINC000037634953 167101466 /nfs/dbraw/zinc/10/14/66/167101466.db2.gz OPHHLONUXPQKFU-UHFFFAOYSA-N 2 1 240.435 3.419 10 0 BGAEMP Cc1cccc(N[C@@H](C)c2ccc(C[NH3+])cc2)[nH+]1 ZINC000037748125 179152708 /nfs/dbraw/zinc/15/27/08/179152708.db2.gz JZZSEQSJZBVUGI-LBPRGKRZSA-N 2 1 241.338 3.022 10 0 BGAEMP Cc1cccc(N[C@H](C)c2ccc(C[NH3+])cc2)[nH+]1 ZINC000037748126 179155783 /nfs/dbraw/zinc/15/57/83/179155783.db2.gz JZZSEQSJZBVUGI-GFCCVEGCSA-N 2 1 241.338 3.022 10 0 BGAEMP C[C@H]1CCC[N@H+]1[C@]1(CN)C[C@H](C)CC(C)(C)C1 ZINC000037910502 177112343 /nfs/dbraw/zinc/11/23/43/177112343.db2.gz LMTZEQIMQIWEPV-VNHYZAJKSA-N 2 1 238.419 3.014 10 0 BGAEMP CC[C@H](C)C[C@@](CC)(CN)[N@H+]1CCC[C@H]1CC ZINC000037913430 171296141 /nfs/dbraw/zinc/29/61/41/171296141.db2.gz MPYGGJCPYUNTMI-ZNMIVQPWSA-N 2 1 240.435 3.405 10 0 BGAEMP CC[C@H](C)C[C@@](CC)(CN)[N@H+]1CCC[C@@H]1CC ZINC000037913431 171296381 /nfs/dbraw/zinc/29/63/81/171296381.db2.gz MPYGGJCPYUNTMI-KKUMJFAQSA-N 2 1 240.435 3.405 10 0 BGAEMP CC(C)C[C@H](c1ccccc1)[N@H+]1CCC[NH2+]CC1 ZINC000038086901 188116557 /nfs/dbraw/zinc/11/65/57/188116557.db2.gz DASYROHAEVDXIE-MRXNPFEDSA-N 2 1 246.398 3.069 10 0 BGAEMP CC(C)C[C@H]([NH3+])C[N@@H+](Cc1ccccc1)C(C)C ZINC000039141063 187255915 /nfs/dbraw/zinc/25/59/15/187255915.db2.gz FFTGQVYLEXJGCU-INIZCTEOSA-N 2 1 248.414 3.270 10 0 BGAEMP CC(C)C[C@H]([NH3+])C[N@H+](Cc1ccccc1)C(C)C ZINC000039141063 187255913 /nfs/dbraw/zinc/25/59/13/187255913.db2.gz FFTGQVYLEXJGCU-INIZCTEOSA-N 2 1 248.414 3.270 10 0 BGAEMP CC[C@H](C)[C@H]([NH3+])C[N@@H+](Cc1ccccc1)C(C)C ZINC000039141070 171397010 /nfs/dbraw/zinc/39/70/10/171397010.db2.gz XBHVHRAAZDSCLT-GOEBONIOSA-N 2 1 248.414 3.270 10 0 BGAEMP CC[C@H](C)[C@H]([NH3+])C[N@H+](Cc1ccccc1)C(C)C ZINC000039141070 171397009 /nfs/dbraw/zinc/39/70/09/171397009.db2.gz XBHVHRAAZDSCLT-GOEBONIOSA-N 2 1 248.414 3.270 10 0 BGAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCCC1 ZINC000039187332 358219826 /nfs/dbraw/zinc/21/98/26/358219826.db2.gz DHYMMQBHICASBQ-LQDVMPOASA-N 2 1 236.403 3.053 10 0 BGAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCCC1 ZINC000039187332 358219822 /nfs/dbraw/zinc/21/98/22/358219822.db2.gz DHYMMQBHICASBQ-LQDVMPOASA-N 2 1 236.403 3.053 10 0 BGAEMP Cc1cc(C)[nH+]c(NCC[NH+](C(C)C)C(C)C)c1 ZINC000039318178 343388420 /nfs/dbraw/zinc/38/84/20/343388420.db2.gz DXMWSNFYTWVHKU-UHFFFAOYSA-N 2 1 249.402 3.229 10 0 BGAEMP CCC[NH+](CCC)CCNc1cc(C)cc(C)[nH+]1 ZINC000039318180 384676632 /nfs/dbraw/zinc/67/66/32/384676632.db2.gz DKYVSEYBXHDPHY-UHFFFAOYSA-N 2 1 249.402 3.232 10 0 BGAEMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000040431890 188118647 /nfs/dbraw/zinc/11/86/47/188118647.db2.gz JQELSRZROWCWHY-JKSUJKDBSA-N 2 1 246.398 3.167 10 0 BGAEMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000040431891 188117898 /nfs/dbraw/zinc/11/78/98/188117898.db2.gz JQELSRZROWCWHY-HOTGVXAUSA-N 2 1 246.398 3.167 10 0 BGAEMP Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000041027857 410902955 /nfs/dbraw/zinc/90/29/55/410902955.db2.gz RHCTWSKMQDFUTP-CABCVRRESA-N 2 1 246.398 3.096 10 0 BGAEMP Cc1cc(C)c([C@@H](C)[N@@H+]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000041027857 410902947 /nfs/dbraw/zinc/90/29/47/410902947.db2.gz RHCTWSKMQDFUTP-CABCVRRESA-N 2 1 246.398 3.096 10 0 BGAEMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000041027858 409829511 /nfs/dbraw/zinc/82/95/11/409829511.db2.gz RHCTWSKMQDFUTP-GJZGRUSLSA-N 2 1 246.398 3.096 10 0 BGAEMP Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000041027858 409829507 /nfs/dbraw/zinc/82/95/07/409829507.db2.gz RHCTWSKMQDFUTP-GJZGRUSLSA-N 2 1 246.398 3.096 10 0 BGAEMP CCC[NH2+]CCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000042409661 169256798 /nfs/dbraw/zinc/25/67/98/169256798.db2.gz SXQDRBSIQMDGIK-CABCVRRESA-N 2 1 238.419 3.031 10 0 BGAEMP CCC[NH2+]CCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000042409662 169257433 /nfs/dbraw/zinc/25/74/33/169257433.db2.gz SXQDRBSIQMDGIK-GJZGRUSLSA-N 2 1 238.419 3.031 10 0 BGAEMP Cc1ccccc1C[N@H+](C)CCCC[NH2+]C(C)C ZINC000042436151 179269150 /nfs/dbraw/zinc/26/91/50/179269150.db2.gz DPLFBSUEKGELRI-UHFFFAOYSA-N 2 1 248.414 3.205 10 0 BGAEMP C[C@@H]1CCC[C@H](N(C)CC2([NH3+])CCCCC2)C1 ZINC000042495812 176140256 /nfs/dbraw/zinc/14/02/56/176140256.db2.gz JYHSAXGEUJCSRR-KGLIPLIRSA-N 2 1 238.419 3.159 10 0 BGAEMP C[C@@H]1CCC[C@H]([N@@H+](C)CC2(N)CCCCC2)C1 ZINC000042495812 176140253 /nfs/dbraw/zinc/14/02/53/176140253.db2.gz JYHSAXGEUJCSRR-KGLIPLIRSA-N 2 1 238.419 3.159 10 0 BGAEMP C[C@H]1CCC[C@H](N(C)CC2([NH3+])CCCCC2)C1 ZINC000042495814 177133856 /nfs/dbraw/zinc/13/38/56/177133856.db2.gz JYHSAXGEUJCSRR-KBPBESRZSA-N 2 1 238.419 3.159 10 0 BGAEMP C[C@H]1CCC[C@@H](N(C)CC2([NH3+])CCCCC2)C1 ZINC000042495818 177120012 /nfs/dbraw/zinc/12/00/12/177120012.db2.gz JYHSAXGEUJCSRR-UONOGXRCSA-N 2 1 238.419 3.159 10 0 BGAEMP C[C@H]1CCC[C@@H]([N@@H+](C)CC2(N)CCCCC2)C1 ZINC000042495818 177120011 /nfs/dbraw/zinc/12/00/11/177120011.db2.gz JYHSAXGEUJCSRR-UONOGXRCSA-N 2 1 238.419 3.159 10 0 BGAEMP C[C@@H]1CCC[C@H]([N@@H+](C)CC2CCC([NH3+])CC2)C1 ZINC000042495868 176140239 /nfs/dbraw/zinc/14/02/39/176140239.db2.gz XYSZHGVPYBUFKB-URGYJCLVSA-N 2 1 238.419 3.014 10 0 BGAEMP C[C@H]1CCC[C@H]([N@@H+](C)CC2CCC([NH3+])CC2)C1 ZINC000042495870 177134098 /nfs/dbraw/zinc/13/40/98/177134098.db2.gz XYSZHGVPYBUFKB-PPWQZUPISA-N 2 1 238.419 3.014 10 0 BGAEMP C[C@@H]1CCC[C@@H]([N@@H+](C)CC2CCC([NH3+])CC2)C1 ZINC000042495872 176121238 /nfs/dbraw/zinc/12/12/38/176121238.db2.gz XYSZHGVPYBUFKB-XSCHDIRWSA-N 2 1 238.419 3.014 10 0 BGAEMP C[C@H]1CCC[C@@H]([N@@H+](C)CC2CCC([NH3+])CC2)C1 ZINC000042495874 177120078 /nfs/dbraw/zinc/12/00/78/177120078.db2.gz XYSZHGVPYBUFKB-VXGQWTEUSA-N 2 1 238.419 3.014 10 0 BGAEMP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CC)C1 ZINC000042553251 171366996 /nfs/dbraw/zinc/36/69/96/171366996.db2.gz CIOKPZXCTQNSBH-LJISPDSOSA-N 2 1 240.435 3.131 10 0 BGAEMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CC)C1 ZINC000042553257 171390611 /nfs/dbraw/zinc/39/06/11/171390611.db2.gz CIOKPZXCTQNSBH-ZQDZILKHSA-N 2 1 240.435 3.131 10 0 BGAEMP CC(C)C[C@H](C)[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000042562666 188120687 /nfs/dbraw/zinc/12/06/87/188120687.db2.gz CTRCOZQWLXETHS-ZDUSSCGKSA-N 2 1 234.387 3.012 10 0 BGAEMP CC(C)C[C@@H](C)[N@@H+](C)Cc1ccccc1C[NH3+] ZINC000042562668 188121058 /nfs/dbraw/zinc/12/10/58/188121058.db2.gz LQIZRAGFEGHWHW-CYBMUJFWSA-N 2 1 234.387 3.012 10 0 BGAEMP CC(C)C[C@@H](C)[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000042562692 188293419 /nfs/dbraw/zinc/29/34/19/188293419.db2.gz DHRBXCLAIMGOMW-CYBMUJFWSA-N 2 1 234.387 3.012 10 0 BGAEMP CC(C)C[C@H](C)[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000042562694 188294201 /nfs/dbraw/zinc/29/42/01/188294201.db2.gz DHRBXCLAIMGOMW-ZDUSSCGKSA-N 2 1 234.387 3.012 10 0 BGAEMP CC(C)C[C@H](C)[N@@H+](C)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000042562785 188294030 /nfs/dbraw/zinc/29/40/30/188294030.db2.gz JWTPFGCTKZYMKO-RRFJBIMHSA-N 2 1 240.435 3.260 10 0 BGAEMP CC(C)[N@@H+](CC1CC1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000042563278 188120490 /nfs/dbraw/zinc/12/04/90/188120490.db2.gz ANWAFPWELPPMLJ-HUUCEWRRSA-N 2 1 238.419 3.014 10 0 BGAEMP CCC[NH2+][C@@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2CC)C1 ZINC000042580653 169282699 /nfs/dbraw/zinc/28/26/99/169282699.db2.gz NJAQNCGXNYNZBA-RRFJBIMHSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+][C@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2CC)C1 ZINC000042580656 169291421 /nfs/dbraw/zinc/29/14/21/169291421.db2.gz NJAQNCGXNYNZBA-SOUVJXGZSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+][C@@H]1CC[N@H+](C2CCC(CC)CC2)C1 ZINC000042580730 169282215 /nfs/dbraw/zinc/28/22/15/169282215.db2.gz CRSZNUZNPBBWOW-SHARSMKWSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+][C@@H]1CC[N@@H+](C2CCC(CC)CC2)C1 ZINC000042580730 169282213 /nfs/dbraw/zinc/28/22/13/169282213.db2.gz CRSZNUZNPBBWOW-SHARSMKWSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+][C@H]1CC[N@H+](C2CCC(CC)CC2)C1 ZINC000042580733 169292019 /nfs/dbraw/zinc/29/20/19/169292019.db2.gz CRSZNUZNPBBWOW-SLTAFYQDSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+][C@H]1CC[N@@H+](C2CCC(CC)CC2)C1 ZINC000042580733 169292018 /nfs/dbraw/zinc/29/20/18/169292018.db2.gz CRSZNUZNPBBWOW-SLTAFYQDSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000042602182 176079148 /nfs/dbraw/zinc/07/91/48/176079148.db2.gz KUXOFZSGCPDERV-CJNGLKHVSA-N 2 1 246.398 3.156 10 0 BGAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000042602184 177080449 /nfs/dbraw/zinc/08/04/49/177080449.db2.gz KUXOFZSGCPDERV-BBRMVZONSA-N 2 1 246.398 3.156 10 0 BGAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000042602186 176086538 /nfs/dbraw/zinc/08/65/38/176086538.db2.gz KUXOFZSGCPDERV-CZUORRHYSA-N 2 1 246.398 3.156 10 0 BGAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000042602187 177087006 /nfs/dbraw/zinc/08/70/06/177087006.db2.gz KUXOFZSGCPDERV-XJKSGUPXSA-N 2 1 246.398 3.156 10 0 BGAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1C[NH3+] ZINC000042602188 176078980 /nfs/dbraw/zinc/07/89/80/176078980.db2.gz DTVHIBGNLIJKLV-CJNGLKHVSA-N 2 1 246.398 3.156 10 0 BGAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1C[NH3+] ZINC000042602190 177081214 /nfs/dbraw/zinc/08/12/14/177081214.db2.gz DTVHIBGNLIJKLV-BBRMVZONSA-N 2 1 246.398 3.156 10 0 BGAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1C[NH3+] ZINC000042602192 176086662 /nfs/dbraw/zinc/08/66/62/176086662.db2.gz DTVHIBGNLIJKLV-CZUORRHYSA-N 2 1 246.398 3.156 10 0 BGAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1C[NH3+] ZINC000042602194 177087415 /nfs/dbraw/zinc/08/74/15/177087415.db2.gz DTVHIBGNLIJKLV-XJKSGUPXSA-N 2 1 246.398 3.156 10 0 BGAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000042602203 176078821 /nfs/dbraw/zinc/07/88/21/176078821.db2.gz QCPVLBOVSURHOF-CJNGLKHVSA-N 2 1 246.398 3.156 10 0 BGAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000042602205 177081108 /nfs/dbraw/zinc/08/11/08/177081108.db2.gz QCPVLBOVSURHOF-BBRMVZONSA-N 2 1 246.398 3.156 10 0 BGAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000042602207 176086648 /nfs/dbraw/zinc/08/66/48/176086648.db2.gz QCPVLBOVSURHOF-CZUORRHYSA-N 2 1 246.398 3.156 10 0 BGAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000042602208 177087172 /nfs/dbraw/zinc/08/71/72/177087172.db2.gz QCPVLBOVSURHOF-XJKSGUPXSA-N 2 1 246.398 3.156 10 0 BGAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042602340 176079179 /nfs/dbraw/zinc/07/91/79/176079179.db2.gz VYMGWEFSNFMPHU-APIJFGDWSA-N 2 1 238.419 3.014 10 0 BGAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042602344 176086936 /nfs/dbraw/zinc/08/69/36/176086936.db2.gz VYMGWEFSNFMPHU-KBUPBQIOSA-N 2 1 238.419 3.014 10 0 BGAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042602346 177087100 /nfs/dbraw/zinc/08/71/00/177087100.db2.gz VYMGWEFSNFMPHU-GBJTYRQASA-N 2 1 238.419 3.014 10 0 BGAEMP CCC[C@@H](N)[C@@H](CC)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042607227 169393116 /nfs/dbraw/zinc/39/31/16/169393116.db2.gz VBTRKPCSVGPMFH-GBJTYRQASA-N 2 1 240.435 3.403 10 0 BGAEMP CCC[C@@H](N)[C@H](CC)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042607229 169392748 /nfs/dbraw/zinc/39/27/48/169392748.db2.gz VBTRKPCSVGPMFH-LJISPDSOSA-N 2 1 240.435 3.403 10 0 BGAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)[C@@H]1CCCCC[C@@H]1N ZINC000042607289 177081278 /nfs/dbraw/zinc/08/12/78/177081278.db2.gz CXOLUVRHRDDAHP-ZQDZILKHSA-N 2 1 238.419 3.157 10 0 BGAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000042607990 176078400 /nfs/dbraw/zinc/07/84/00/176078400.db2.gz YOUVJRBKLGSZPV-ILXRZTDVSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000042607992 176086857 /nfs/dbraw/zinc/08/68/57/176086857.db2.gz YOUVJRBKLGSZPV-QLFBSQMISA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000042607993 177087217 /nfs/dbraw/zinc/08/72/17/177087217.db2.gz YOUVJRBKLGSZPV-SOUVJXGZSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC[NH2+]C(C)(C)C ZINC000042609961 176078527 /nfs/dbraw/zinc/07/85/27/176078527.db2.gz BUFMSRVOWLMIMB-KGLIPLIRSA-N 2 1 240.435 3.275 10 0 BGAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CCC[NH2+]C(C)(C)C ZINC000042609963 176086932 /nfs/dbraw/zinc/08/69/32/176086932.db2.gz BUFMSRVOWLMIMB-ZIAGYGMSSA-N 2 1 240.435 3.275 10 0 BGAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)CCC[NH2+]C(C)(C)C ZINC000042609964 177087322 /nfs/dbraw/zinc/08/73/22/177087322.db2.gz BUFMSRVOWLMIMB-UONOGXRCSA-N 2 1 240.435 3.275 10 0 BGAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CC1(N)CCCCC1 ZINC000042611070 177080698 /nfs/dbraw/zinc/08/06/98/177080698.db2.gz FACWAYIHYWOWQJ-KBPBESRZSA-N 2 1 238.419 3.159 10 0 BGAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC1CCC([NH3+])CC1 ZINC000042611148 176079292 /nfs/dbraw/zinc/07/92/92/176079292.db2.gz KNWZJYYHLCQDAP-URGYJCLVSA-N 2 1 238.419 3.014 10 0 BGAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CC1CCC([NH3+])CC1 ZINC000042611150 177080809 /nfs/dbraw/zinc/08/08/09/177080809.db2.gz KNWZJYYHLCQDAP-PPWQZUPISA-N 2 1 238.419 3.014 10 0 BGAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CC1CCC([NH3+])CC1 ZINC000042611152 176086928 /nfs/dbraw/zinc/08/69/28/176086928.db2.gz KNWZJYYHLCQDAP-XSCHDIRWSA-N 2 1 238.419 3.014 10 0 BGAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)CC1CCC([NH3+])CC1 ZINC000042611154 177087184 /nfs/dbraw/zinc/08/71/84/177087184.db2.gz KNWZJYYHLCQDAP-VXGQWTEUSA-N 2 1 238.419 3.014 10 0 BGAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1(CN)CCCCC1 ZINC000042679731 176077402 /nfs/dbraw/zinc/07/74/02/176077402.db2.gz UXHJGWXUTDYNNI-KGLIPLIRSA-N 2 1 238.419 3.159 10 0 BGAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)C1(CN)CCCCC1 ZINC000042679732 177081258 /nfs/dbraw/zinc/08/12/58/177081258.db2.gz UXHJGWXUTDYNNI-KBPBESRZSA-N 2 1 238.419 3.159 10 0 BGAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)C1(CN)CCCCC1 ZINC000042679733 176085216 /nfs/dbraw/zinc/08/52/16/176085216.db2.gz UXHJGWXUTDYNNI-ZIAGYGMSSA-N 2 1 238.419 3.159 10 0 BGAEMP C[C@H]([N@@H+](C)Cc1ccc(C[NH3+])cc1)C(C)(C)C ZINC000042739305 176745011 /nfs/dbraw/zinc/74/50/11/176745011.db2.gz AWSPBRSTTZFVHH-LBPRGKRZSA-N 2 1 234.387 3.012 10 0 BGAEMP C[C@H]([N@@H+](C)Cc1ccccc1C[NH3+])C(C)(C)C ZINC000042739309 176744649 /nfs/dbraw/zinc/74/46/49/176744649.db2.gz SIAFXZMOCSXNNE-LBPRGKRZSA-N 2 1 234.387 3.012 10 0 BGAEMP C[C@H]([N@@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+])C(C)(C)C ZINC000042739426 177202404 /nfs/dbraw/zinc/20/24/04/177202404.db2.gz XBFXDTNOOISKHU-IGQOVBAYSA-N 2 1 240.435 3.116 10 0 BGAEMP CC[C@H](C)C[N@@H+](C)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042901158 171274242 /nfs/dbraw/zinc/27/42/42/171274242.db2.gz XLALFRCIEKSNEG-GZBFAFLISA-N 2 1 234.387 3.053 10 0 BGAEMP CC[C@H](C)C[N@H+](C)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042901158 171274241 /nfs/dbraw/zinc/27/42/41/171274241.db2.gz XLALFRCIEKSNEG-GZBFAFLISA-N 2 1 234.387 3.053 10 0 BGAEMP CCC[N@@H+](CC)[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908239 169132560 /nfs/dbraw/zinc/13/25/60/169132560.db2.gz ZDDGUXPKSQDNNN-UKRRQHHQSA-N 2 1 234.387 3.115 10 0 BGAEMP CCC[N@H+](CC)[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908239 169132559 /nfs/dbraw/zinc/13/25/59/169132559.db2.gz ZDDGUXPKSQDNNN-UKRRQHHQSA-N 2 1 234.387 3.115 10 0 BGAEMP CCC[N@@H+](CC)[C@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908242 169132212 /nfs/dbraw/zinc/13/22/12/169132212.db2.gz ZDDGUXPKSQDNNN-HIFRSBDPSA-N 2 1 234.387 3.115 10 0 BGAEMP CCC[N@H+](CC)[C@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908242 169132209 /nfs/dbraw/zinc/13/22/09/169132209.db2.gz ZDDGUXPKSQDNNN-HIFRSBDPSA-N 2 1 234.387 3.115 10 0 BGAEMP CCC[N@@H+]([C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+])C1CC1 ZINC000042908250 169090637 /nfs/dbraw/zinc/09/06/37/169090637.db2.gz WSIUJMORCNZZQG-CZUORRHYSA-N 2 1 246.398 3.258 10 0 BGAEMP CCC[N@H+]([C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+])C1CC1 ZINC000042908250 169090634 /nfs/dbraw/zinc/09/06/34/169090634.db2.gz WSIUJMORCNZZQG-CZUORRHYSA-N 2 1 246.398 3.258 10 0 BGAEMP CCC[N@@H+]([C@H](c1ccc(C)cc1)[C@@H](C)[NH3+])C1CC1 ZINC000042908253 169091084 /nfs/dbraw/zinc/09/10/84/169091084.db2.gz WSIUJMORCNZZQG-CJNGLKHVSA-N 2 1 246.398 3.258 10 0 BGAEMP CCC[N@H+]([C@H](c1ccc(C)cc1)[C@@H](C)[NH3+])C1CC1 ZINC000042908253 169091082 /nfs/dbraw/zinc/09/10/82/169091082.db2.gz WSIUJMORCNZZQG-CJNGLKHVSA-N 2 1 246.398 3.258 10 0 BGAEMP CC[C@H](C)[N@@H+](C)[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908275 171309616 /nfs/dbraw/zinc/30/96/16/171309616.db2.gz JQJFTFDTKAXPRW-GZBFAFLISA-N 2 1 234.387 3.114 10 0 BGAEMP CC[C@H](C)[N@H+](C)[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908275 171309614 /nfs/dbraw/zinc/30/96/14/171309614.db2.gz JQJFTFDTKAXPRW-GZBFAFLISA-N 2 1 234.387 3.114 10 0 BGAEMP CC[C@H](C)C[N@@H+](C)[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908297 171274130 /nfs/dbraw/zinc/27/41/30/171274130.db2.gz RWRRSNAOYMLATP-JGGQBBKZSA-N 2 1 248.414 3.361 10 0 BGAEMP CC[C@H](C)C[N@H+](C)[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908297 171274128 /nfs/dbraw/zinc/27/41/28/171274128.db2.gz RWRRSNAOYMLATP-JGGQBBKZSA-N 2 1 248.414 3.361 10 0 BGAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[NH+]2CCC(C)CC2)c1 ZINC000042965319 179188899 /nfs/dbraw/zinc/18/88/99/179188899.db2.gz HRRCHNUAESJRSJ-GDBMZVCRSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[NH+]2CCC(C)CC2)c1 ZINC000042965321 179204004 /nfs/dbraw/zinc/20/40/04/179204004.db2.gz HRRCHNUAESJRSJ-ZBFHGGJFSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[NH+]2CCC(C)CC2)c1 ZINC000042965323 179188706 /nfs/dbraw/zinc/18/87/06/179188706.db2.gz HRRCHNUAESJRSJ-GOEBONIOSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[NH+]2CCC(C)CC2)c1 ZINC000042965325 179203078 /nfs/dbraw/zinc/20/30/78/179203078.db2.gz HRRCHNUAESJRSJ-HOCLYGCPSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+]2CCCC[C@@H]2C)c1 ZINC000042965373 179188395 /nfs/dbraw/zinc/18/83/95/179188395.db2.gz YOLLJQMOJMXBGY-SQWLQELKSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2CCCC[C@@H]2C)c1 ZINC000042965373 179188393 /nfs/dbraw/zinc/18/83/93/179188393.db2.gz YOLLJQMOJMXBGY-SQWLQELKSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+]2CCCC[C@@H]2C)c1 ZINC000042965375 179203852 /nfs/dbraw/zinc/20/38/52/179203852.db2.gz YOLLJQMOJMXBGY-LZWOXQAQSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CCCC[C@@H]2C)c1 ZINC000042965375 179203850 /nfs/dbraw/zinc/20/38/50/179203850.db2.gz YOLLJQMOJMXBGY-LZWOXQAQSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@H+]2CCCC[C@@H]2C)c1 ZINC000042965377 179188511 /nfs/dbraw/zinc/18/85/11/179188511.db2.gz YOLLJQMOJMXBGY-OFQRWUPVSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+]2CCCC[C@@H]2C)c1 ZINC000042965377 179188509 /nfs/dbraw/zinc/18/85/09/179188509.db2.gz YOLLJQMOJMXBGY-OFQRWUPVSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+]2CCCC[C@@H]2C)c1 ZINC000042965378 179203333 /nfs/dbraw/zinc/20/33/33/179203333.db2.gz YOLLJQMOJMXBGY-DZKIICNBSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+]2CCCC[C@@H]2C)c1 ZINC000042965378 179203331 /nfs/dbraw/zinc/20/33/31/179203331.db2.gz YOLLJQMOJMXBGY-DZKIICNBSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+]2CCC[C@H](C)C2)c1 ZINC000042965414 179204024 /nfs/dbraw/zinc/20/40/24/179204024.db2.gz GQVABXPMWQDVLT-LZWOXQAQSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CCC[C@H](C)C2)c1 ZINC000042965414 179204022 /nfs/dbraw/zinc/20/40/22/179204022.db2.gz GQVABXPMWQDVLT-LZWOXQAQSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+]2CCC[C@H](C)C2)c1 ZINC000042965418 179203881 /nfs/dbraw/zinc/20/38/81/179203881.db2.gz GQVABXPMWQDVLT-DZKIICNBSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+]2CCC[C@H](C)C2)c1 ZINC000042965418 179203879 /nfs/dbraw/zinc/20/38/79/179203879.db2.gz GQVABXPMWQDVLT-DZKIICNBSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[NH+]2CCCCCC2)c1 ZINC000042965427 179188628 /nfs/dbraw/zinc/18/86/28/179188628.db2.gz BRDBGGQRIIUXRA-GDBMZVCRSA-N 2 1 246.398 3.259 10 0 BGAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[NH+]2CCCCCC2)c1 ZINC000042965429 179203900 /nfs/dbraw/zinc/20/39/00/179203900.db2.gz BRDBGGQRIIUXRA-ZBFHGGJFSA-N 2 1 246.398 3.259 10 0 BGAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[NH+]2CCCCCC2)c1 ZINC000042965431 179188994 /nfs/dbraw/zinc/18/89/94/179188994.db2.gz BRDBGGQRIIUXRA-GOEBONIOSA-N 2 1 246.398 3.259 10 0 BGAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[NH+]2CCCCCC2)c1 ZINC000042965432 179203283 /nfs/dbraw/zinc/20/32/83/179203283.db2.gz BRDBGGQRIIUXRA-HOCLYGCPSA-N 2 1 246.398 3.259 10 0 BGAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)C2CCCC2)c1 ZINC000042965956 179187863 /nfs/dbraw/zinc/18/78/63/179187863.db2.gz HDARTOLWGROMGO-CZUORRHYSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)C2CCCC2)c1 ZINC000042965956 179187861 /nfs/dbraw/zinc/18/78/61/179187861.db2.gz HDARTOLWGROMGO-CZUORRHYSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)C2CCCC2)c1 ZINC000042965958 179203990 /nfs/dbraw/zinc/20/39/90/179203990.db2.gz HDARTOLWGROMGO-CJNGLKHVSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+](C)C2CCCC2)c1 ZINC000042965958 179203987 /nfs/dbraw/zinc/20/39/87/179203987.db2.gz HDARTOLWGROMGO-CJNGLKHVSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)C2CCCC2)c1 ZINC000042965960 179187742 /nfs/dbraw/zinc/18/77/42/179187742.db2.gz HDARTOLWGROMGO-XJKSGUPXSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@H+](C)C2CCCC2)c1 ZINC000042965960 179187740 /nfs/dbraw/zinc/18/77/40/179187740.db2.gz HDARTOLWGROMGO-XJKSGUPXSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+](C)C2CCCC2)c1 ZINC000042965962 179203508 /nfs/dbraw/zinc/20/35/08/179203508.db2.gz HDARTOLWGROMGO-BBRMVZONSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+](C)C2CCCC2)c1 ZINC000042965962 179203506 /nfs/dbraw/zinc/20/35/06/179203506.db2.gz HDARTOLWGROMGO-BBRMVZONSA-N 2 1 246.398 3.258 10 0 BGAEMP CCC[N@@H+](CC)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042965970 169132013 /nfs/dbraw/zinc/13/20/13/169132013.db2.gz PTBOKIVJGUPKNT-UKRRQHHQSA-N 2 1 234.387 3.115 10 0 BGAEMP CCC[N@H+](CC)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042965970 169132012 /nfs/dbraw/zinc/13/20/12/169132012.db2.gz PTBOKIVJGUPKNT-UKRRQHHQSA-N 2 1 234.387 3.115 10 0 BGAEMP CCC[N@@H+](CC)[C@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042965972 169132094 /nfs/dbraw/zinc/13/20/94/169132094.db2.gz PTBOKIVJGUPKNT-HIFRSBDPSA-N 2 1 234.387 3.115 10 0 BGAEMP CCC[N@H+](CC)[C@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042965972 169132092 /nfs/dbraw/zinc/13/20/92/169132092.db2.gz PTBOKIVJGUPKNT-HIFRSBDPSA-N 2 1 234.387 3.115 10 0 BGAEMP CC[C@H](C)[N@@H+](C)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042966010 171309122 /nfs/dbraw/zinc/30/91/22/171309122.db2.gz LLZQMIMIAJOHFO-GZBFAFLISA-N 2 1 234.387 3.114 10 0 BGAEMP CC[C@H](C)[N@H+](C)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042966010 171309120 /nfs/dbraw/zinc/30/91/20/171309120.db2.gz LLZQMIMIAJOHFO-GZBFAFLISA-N 2 1 234.387 3.114 10 0 BGAEMP CC[C@H](C)C[N@@H+](C)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042966041 171274886 /nfs/dbraw/zinc/27/48/86/171274886.db2.gz OYZDDKXPNOULEU-JGGQBBKZSA-N 2 1 248.414 3.361 10 0 BGAEMP CC[C@H](C)C[N@H+](C)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042966041 171274885 /nfs/dbraw/zinc/27/48/85/171274885.db2.gz OYZDDKXPNOULEU-JGGQBBKZSA-N 2 1 248.414 3.361 10 0 BGAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966281 179188643 /nfs/dbraw/zinc/18/86/43/179188643.db2.gz AOJQLLKRDQQWBV-DVOMOZLQSA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966281 179188640 /nfs/dbraw/zinc/18/86/40/179188640.db2.gz AOJQLLKRDQQWBV-DVOMOZLQSA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966283 179203457 /nfs/dbraw/zinc/20/34/57/179203457.db2.gz AOJQLLKRDQQWBV-WWGRRREGSA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966283 179203455 /nfs/dbraw/zinc/20/34/55/179203455.db2.gz AOJQLLKRDQQWBV-WWGRRREGSA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966285 179189119 /nfs/dbraw/zinc/18/91/19/179189119.db2.gz AOJQLLKRDQQWBV-HEHGZKQESA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966285 179189117 /nfs/dbraw/zinc/18/91/17/179189117.db2.gz AOJQLLKRDQQWBV-HEHGZKQESA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966287 179203067 /nfs/dbraw/zinc/20/30/67/179203067.db2.gz AOJQLLKRDQQWBV-XEZPLFJOSA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966287 179203066 /nfs/dbraw/zinc/20/30/66/179203066.db2.gz AOJQLLKRDQQWBV-XEZPLFJOSA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000043033230 179327425 /nfs/dbraw/zinc/32/74/25/179327425.db2.gz TXHOGZRDUGMUSX-GDBMZVCRSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000043033234 179347109 /nfs/dbraw/zinc/34/71/09/179347109.db2.gz TXHOGZRDUGMUSX-ZBFHGGJFSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000043033236 179328333 /nfs/dbraw/zinc/32/83/33/179328333.db2.gz TXHOGZRDUGMUSX-GOEBONIOSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000043033239 179346517 /nfs/dbraw/zinc/34/65/17/179346517.db2.gz TXHOGZRDUGMUSX-HOCLYGCPSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000043033326 179328306 /nfs/dbraw/zinc/32/83/06/179328306.db2.gz AEAWRESMEFTBBI-SQWLQELKSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000043033326 179328305 /nfs/dbraw/zinc/32/83/05/179328305.db2.gz AEAWRESMEFTBBI-SQWLQELKSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000043033330 179347808 /nfs/dbraw/zinc/34/78/08/179347808.db2.gz AEAWRESMEFTBBI-LZWOXQAQSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000043033330 179347807 /nfs/dbraw/zinc/34/78/07/179347807.db2.gz AEAWRESMEFTBBI-LZWOXQAQSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000043033333 179328478 /nfs/dbraw/zinc/32/84/78/179328478.db2.gz AEAWRESMEFTBBI-OFQRWUPVSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000043033333 179328475 /nfs/dbraw/zinc/32/84/75/179328475.db2.gz AEAWRESMEFTBBI-OFQRWUPVSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000043033336 179347340 /nfs/dbraw/zinc/34/73/40/179347340.db2.gz AEAWRESMEFTBBI-DZKIICNBSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000043033336 179347336 /nfs/dbraw/zinc/34/73/36/179347336.db2.gz AEAWRESMEFTBBI-DZKIICNBSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000043033408 179347770 /nfs/dbraw/zinc/34/77/70/179347770.db2.gz WVLKBRBIIHEVIV-BJJXKVORSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000043033408 179347769 /nfs/dbraw/zinc/34/77/69/179347769.db2.gz WVLKBRBIIHEVIV-BJJXKVORSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000043033414 179346921 /nfs/dbraw/zinc/34/69/21/179346921.db2.gz WVLKBRBIIHEVIV-NOLJZWGESA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000043033414 179346919 /nfs/dbraw/zinc/34/69/19/179346919.db2.gz WVLKBRBIIHEVIV-NOLJZWGESA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+](C)C1CCCC1 ZINC000043034441 179328500 /nfs/dbraw/zinc/32/85/00/179328500.db2.gz NFUXQRMDHPIAPL-CZUORRHYSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+](C)C1CCCC1 ZINC000043034441 179328497 /nfs/dbraw/zinc/32/84/97/179328497.db2.gz NFUXQRMDHPIAPL-CZUORRHYSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+](C)C1CCCC1 ZINC000043034444 179346665 /nfs/dbraw/zinc/34/66/65/179346665.db2.gz NFUXQRMDHPIAPL-CJNGLKHVSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+](C)C1CCCC1 ZINC000043034444 179346664 /nfs/dbraw/zinc/34/66/64/179346664.db2.gz NFUXQRMDHPIAPL-CJNGLKHVSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)C1CCCC1 ZINC000043034447 179327281 /nfs/dbraw/zinc/32/72/81/179327281.db2.gz NFUXQRMDHPIAPL-XJKSGUPXSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+](C)C1CCCC1 ZINC000043034447 179327279 /nfs/dbraw/zinc/32/72/79/179327279.db2.gz NFUXQRMDHPIAPL-XJKSGUPXSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+](C)C1CCCC1 ZINC000043034450 179347370 /nfs/dbraw/zinc/34/73/70/179347370.db2.gz NFUXQRMDHPIAPL-BBRMVZONSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+](C)C1CCCC1 ZINC000043034450 179347367 /nfs/dbraw/zinc/34/73/67/179347367.db2.gz NFUXQRMDHPIAPL-BBRMVZONSA-N 2 1 246.398 3.258 10 0 BGAEMP CCC[N@@H+](CC)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043034462 169131084 /nfs/dbraw/zinc/13/10/84/169131084.db2.gz LUJGHIXOOQZFKH-UKRRQHHQSA-N 2 1 234.387 3.115 10 0 BGAEMP CCC[N@H+](CC)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043034462 169131083 /nfs/dbraw/zinc/13/10/83/169131083.db2.gz LUJGHIXOOQZFKH-UKRRQHHQSA-N 2 1 234.387 3.115 10 0 BGAEMP CCC[N@@H+](CC)[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043034466 169131590 /nfs/dbraw/zinc/13/15/90/169131590.db2.gz LUJGHIXOOQZFKH-HIFRSBDPSA-N 2 1 234.387 3.115 10 0 BGAEMP CCC[N@H+](CC)[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043034466 169131589 /nfs/dbraw/zinc/13/15/89/169131589.db2.gz LUJGHIXOOQZFKH-HIFRSBDPSA-N 2 1 234.387 3.115 10 0 BGAEMP CCC[N@@H+]([C@@H](c1ccccc1C)[C@@H](C)[NH3+])C1CC1 ZINC000043034485 169090617 /nfs/dbraw/zinc/09/06/17/169090617.db2.gz MIVNNBXGVUMZSQ-CZUORRHYSA-N 2 1 246.398 3.258 10 0 BGAEMP CCC[N@H+]([C@@H](c1ccccc1C)[C@@H](C)[NH3+])C1CC1 ZINC000043034485 169090616 /nfs/dbraw/zinc/09/06/16/169090616.db2.gz MIVNNBXGVUMZSQ-CZUORRHYSA-N 2 1 246.398 3.258 10 0 BGAEMP CCC[N@@H+]([C@H](c1ccccc1C)[C@@H](C)[NH3+])C1CC1 ZINC000043034488 169091509 /nfs/dbraw/zinc/09/15/09/169091509.db2.gz MIVNNBXGVUMZSQ-CJNGLKHVSA-N 2 1 246.398 3.258 10 0 BGAEMP CCC[N@H+]([C@H](c1ccccc1C)[C@@H](C)[NH3+])C1CC1 ZINC000043034488 169091507 /nfs/dbraw/zinc/09/15/07/169091507.db2.gz MIVNNBXGVUMZSQ-CJNGLKHVSA-N 2 1 246.398 3.258 10 0 BGAEMP CC[C@H](C)[N@@H+](C)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043034536 171309141 /nfs/dbraw/zinc/30/91/41/171309141.db2.gz ZKINWFLMRNDJNF-GZBFAFLISA-N 2 1 234.387 3.114 10 0 BGAEMP CC[C@H](C)[N@H+](C)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043034536 171309139 /nfs/dbraw/zinc/30/91/39/171309139.db2.gz ZKINWFLMRNDJNF-GZBFAFLISA-N 2 1 234.387 3.114 10 0 BGAEMP CC[C@H](C)C[N@@H+](C)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043034595 171273616 /nfs/dbraw/zinc/27/36/16/171273616.db2.gz WDQNNMDZYYJSAJ-JGGQBBKZSA-N 2 1 248.414 3.361 10 0 BGAEMP CC[C@H](C)C[N@H+](C)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043034595 171273614 /nfs/dbraw/zinc/27/36/14/171273614.db2.gz WDQNNMDZYYJSAJ-JGGQBBKZSA-N 2 1 248.414 3.361 10 0 BGAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+](C)[C@@H](C)C1CC1 ZINC000043035023 179328267 /nfs/dbraw/zinc/32/82/67/179328267.db2.gz MGZKDISWNIJUTO-DVOMOZLQSA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+](C)[C@@H](C)C1CC1 ZINC000043035023 179328265 /nfs/dbraw/zinc/32/82/65/179328265.db2.gz MGZKDISWNIJUTO-DVOMOZLQSA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+](C)[C@@H](C)C1CC1 ZINC000043035027 179347559 /nfs/dbraw/zinc/34/75/59/179347559.db2.gz MGZKDISWNIJUTO-WWGRRREGSA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+](C)[C@@H](C)C1CC1 ZINC000043035027 179347555 /nfs/dbraw/zinc/34/75/55/179347555.db2.gz MGZKDISWNIJUTO-WWGRRREGSA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)[C@@H](C)C1CC1 ZINC000043035031 179329032 /nfs/dbraw/zinc/32/90/32/179329032.db2.gz MGZKDISWNIJUTO-HEHGZKQESA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+](C)[C@@H](C)C1CC1 ZINC000043035031 179329029 /nfs/dbraw/zinc/32/90/29/179329029.db2.gz MGZKDISWNIJUTO-HEHGZKQESA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+](C)[C@@H](C)C1CC1 ZINC000043035034 179346593 /nfs/dbraw/zinc/34/65/93/179346593.db2.gz MGZKDISWNIJUTO-XEZPLFJOSA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+](C)[C@@H](C)C1CC1 ZINC000043035034 179346591 /nfs/dbraw/zinc/34/65/91/179346591.db2.gz MGZKDISWNIJUTO-XEZPLFJOSA-N 2 1 246.398 3.114 10 0 BGAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+](C)CCC(C)C ZINC000043036245 179327519 /nfs/dbraw/zinc/32/75/19/179327519.db2.gz VBUFPIIUHSJOFD-GDBMZVCRSA-N 2 1 248.414 3.361 10 0 BGAEMP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+](C)CCC(C)C ZINC000043036245 179327516 /nfs/dbraw/zinc/32/75/16/179327516.db2.gz VBUFPIIUHSJOFD-GDBMZVCRSA-N 2 1 248.414 3.361 10 0 BGAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+](C)CCC(C)C ZINC000043036247 179347152 /nfs/dbraw/zinc/34/71/52/179347152.db2.gz VBUFPIIUHSJOFD-ZBFHGGJFSA-N 2 1 248.414 3.361 10 0 BGAEMP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+](C)CCC(C)C ZINC000043036247 179347149 /nfs/dbraw/zinc/34/71/49/179347149.db2.gz VBUFPIIUHSJOFD-ZBFHGGJFSA-N 2 1 248.414 3.361 10 0 BGAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+](C)CCC(C)C ZINC000043036250 179328164 /nfs/dbraw/zinc/32/81/64/179328164.db2.gz VBUFPIIUHSJOFD-GOEBONIOSA-N 2 1 248.414 3.361 10 0 BGAEMP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)CCC(C)C ZINC000043036250 179328161 /nfs/dbraw/zinc/32/81/61/179328161.db2.gz VBUFPIIUHSJOFD-GOEBONIOSA-N 2 1 248.414 3.361 10 0 BGAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+](C)CCC(C)C ZINC000043036253 179346948 /nfs/dbraw/zinc/34/69/48/179346948.db2.gz VBUFPIIUHSJOFD-HOCLYGCPSA-N 2 1 248.414 3.361 10 0 BGAEMP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+](C)CCC(C)C ZINC000043036253 179346945 /nfs/dbraw/zinc/34/69/45/179346945.db2.gz VBUFPIIUHSJOFD-HOCLYGCPSA-N 2 1 248.414 3.361 10 0 BGAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C(C)(C)CC(C)(C)C ZINC000043435746 177365544 /nfs/dbraw/zinc/36/55/44/177365544.db2.gz PNWWBTCFXWVRGW-NWDGAFQWSA-N 2 1 226.408 3.013 10 0 BGAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C(C)(C)CC(C)(C)C ZINC000043435748 176370522 /nfs/dbraw/zinc/37/05/22/176370522.db2.gz PNWWBTCFXWVRGW-NEPJUHHUSA-N 2 1 226.408 3.013 10 0 BGAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C(C)(C)CC(C)(C)C ZINC000043435750 177326412 /nfs/dbraw/zinc/32/64/12/177326412.db2.gz PNWWBTCFXWVRGW-RYUDHWBXSA-N 2 1 226.408 3.013 10 0 BGAEMP C[C@@H]1C[NH2+]CCC[N@H+](C(C)(C)CC(C)(C)C)C1 ZINC000043437131 176324651 /nfs/dbraw/zinc/32/46/51/176324651.db2.gz NXBADCMRSYEKBM-CYBMUJFWSA-N 2 1 240.435 3.133 10 0 BGAEMP C[C@H]1C[NH2+]CCC[N@H+](C(C)(C)CC(C)(C)C)C1 ZINC000043437133 177281383 /nfs/dbraw/zinc/28/13/83/177281383.db2.gz NXBADCMRSYEKBM-ZDUSSCGKSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[N@@H+](CCC(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000044374302 169140026 /nfs/dbraw/zinc/14/00/26/169140026.db2.gz OPDOGKXKLGKAPX-YIONKMFJSA-N 2 1 238.419 3.028 10 0 BGAEMP CC[NH2+]C1CC[NH+]([C@@H](C)c2ccc(C)cc2)CC1 ZINC000049557892 170109158 /nfs/dbraw/zinc/10/91/58/170109158.db2.gz YDFJCFXCQWVYQN-AWEZNQCLSA-N 2 1 246.398 3.130 10 0 BGAEMP CC[NH2+]C1CC[NH+]([C@H](C)c2ccc(C)cc2)CC1 ZINC000049557893 170109675 /nfs/dbraw/zinc/10/96/75/170109675.db2.gz YDFJCFXCQWVYQN-CQSZACIVSA-N 2 1 246.398 3.130 10 0 BGAEMP CC(C)[N@@H+](CCCCC(N)=[NH2+])Cc1ccccc1 ZINC000049579643 188153310 /nfs/dbraw/zinc/15/33/10/188153310.db2.gz PTZBLSAEOMBUFB-UHFFFAOYSA-N 2 1 247.386 3.003 10 0 BGAEMP CC(C)[N@@H+](CCCCC[NH3+])Cc1ccccc1 ZINC000049580631 188125296 /nfs/dbraw/zinc/12/52/96/188125296.db2.gz RWODBOANXALCHA-UHFFFAOYSA-N 2 1 234.387 3.026 10 0 BGAEMP CCC[N@@H+](CCCCC[NH3+])Cc1ccccc1 ZINC000049580722 169153391 /nfs/dbraw/zinc/15/33/91/169153391.db2.gz PMCPJWUJOFUDLA-UHFFFAOYSA-N 2 1 234.387 3.028 10 0 BGAEMP CC[C@@H]1CC[N@@H+](CCC2CCCCC2)CC[NH2+]1 ZINC000049662264 171011637 /nfs/dbraw/zinc/01/16/37/171011637.db2.gz PCCZZEUFAKPORF-OAHLLOKOSA-N 2 1 238.419 3.031 10 0 BGAEMP CC[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C)cc2)CC[NH2+]1 ZINC000049662539 171015114 /nfs/dbraw/zinc/01/51/14/171015114.db2.gz FRYZRUUYDMTCGA-GOEBONIOSA-N 2 1 246.398 3.130 10 0 BGAEMP CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C)cc2)CC[NH2+]1 ZINC000049662539 171015112 /nfs/dbraw/zinc/01/51/12/171015112.db2.gz FRYZRUUYDMTCGA-GOEBONIOSA-N 2 1 246.398 3.130 10 0 BGAEMP CC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)CC[NH2+]1 ZINC000049662549 171014928 /nfs/dbraw/zinc/01/49/28/171014928.db2.gz DJBQPEFEDRGREC-LSDHHAIUSA-N 2 1 246.398 3.130 10 0 BGAEMP CC[C@@H]1CC[N@H+]([C@@H](C)CCCC(C)C)CC[NH2+]1 ZINC000049662648 171014139 /nfs/dbraw/zinc/01/41/39/171014139.db2.gz NQJYCFATDKEDAR-LSDHHAIUSA-N 2 1 240.435 3.275 10 0 BGAEMP CC[C@@H]1CC[N@@H+](Cc2ccccc2)CC[C@H](C)[NH2+]1 ZINC000049664192 171011761 /nfs/dbraw/zinc/01/17/61/171011761.db2.gz KYKZVLXSJKPHEJ-GOEBONIOSA-N 2 1 246.398 3.039 10 0 BGAEMP CC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000049664285 171013345 /nfs/dbraw/zinc/01/33/45/171013345.db2.gz XTGYMRFMQLBEEQ-GOEBONIOSA-N 2 1 246.398 3.212 10 0 BGAEMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049664299 177169572 /nfs/dbraw/zinc/16/95/72/177169572.db2.gz VOZXLWHUJMYLIQ-ZNMIVQPWSA-N 2 1 246.398 3.210 10 0 BGAEMP CC[C@@H]1CC[N@H+](C(C)(C)CC)CC[C@H](C)[NH2+]1 ZINC000049664983 171008650 /nfs/dbraw/zinc/00/86/50/171008650.db2.gz UAAOYTPKNBUADL-QWHCGFSZSA-N 2 1 226.408 3.028 10 0 BGAEMP CC[C@@H]1CC[N@H+](C2CCCCC2)CC[C@H](C)[NH2+]1 ZINC000049665015 171007987 /nfs/dbraw/zinc/00/79/87/171007987.db2.gz HOLRJJXJDXEPRI-UONOGXRCSA-N 2 1 238.419 3.172 10 0 BGAEMP CC[C@@H]1CC[N@H+](C2CCCCC2)C[C@H](C)C[NH2+]1 ZINC000049665019 171009658 /nfs/dbraw/zinc/00/96/58/171009658.db2.gz LKXYOTSIAOEJCY-ZIAGYGMSSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[C@@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000049665274 171015120 /nfs/dbraw/zinc/01/51/20/171015120.db2.gz VARUUGZJOCHWKX-RRFJBIMHSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049665290 177170439 /nfs/dbraw/zinc/17/04/39/177170439.db2.gz FIVPGTMIQRAFKO-KBXIAJHMSA-N 2 1 238.419 3.028 10 0 BGAEMP C[C@H]1CCCC[C@@H]1[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049665292 177169704 /nfs/dbraw/zinc/16/97/04/177169704.db2.gz FIVPGTMIQRAFKO-XQLPTFJDSA-N 2 1 238.419 3.028 10 0 BGAEMP C[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049665293 177169877 /nfs/dbraw/zinc/16/98/77/177169877.db2.gz FIVPGTMIQRAFKO-APIJFGDWSA-N 2 1 238.419 3.028 10 0 BGAEMP C[C@H]1CCCC[C@H]1[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049665295 177170665 /nfs/dbraw/zinc/17/06/65/177170665.db2.gz FIVPGTMIQRAFKO-BYNSBNAKSA-N 2 1 238.419 3.028 10 0 BGAEMP CC[C@@H]1CC[N@H+](C2CCC(C)CC2)CCC[NH2+]1 ZINC000049665426 171009076 /nfs/dbraw/zinc/00/90/76/171009076.db2.gz KVCJJHGCXFDEKC-SHARSMKWSA-N 2 1 238.419 3.029 10 0 BGAEMP CC1CCC([N@@H+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)CC1 ZINC000049665435 168160099 /nfs/dbraw/zinc/16/00/99/168160099.db2.gz DDOIYVNGSIZCPK-HFDVOGEKSA-N 2 1 238.419 3.028 10 0 BGAEMP CC[C@@H]1CC[N@H+](C2CCCCCC2)CCC[NH2+]1 ZINC000049665823 171008416 /nfs/dbraw/zinc/00/84/16/171008416.db2.gz SBADZXPZEAJDBE-CQSZACIVSA-N 2 1 238.419 3.173 10 0 BGAEMP C[C@@H]1CC[N@@H+](C2CCCCCC2)CC[C@H](C)[NH2+]1 ZINC000049665836 177157542 /nfs/dbraw/zinc/15/75/42/177157542.db2.gz LBTVNSALHAPGPS-OKILXGFUSA-N 2 1 238.419 3.172 10 0 BGAEMP CC[C@@H]1CC[N@H+]([C@@H]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000049665878 171013847 /nfs/dbraw/zinc/01/38/47/171013847.db2.gz ADEGGXMSDNPISQ-RRFJBIMHSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)C1 ZINC000049665893 177169811 /nfs/dbraw/zinc/16/98/11/177169811.db2.gz BVSLZSVMWLMADD-KBXIAJHMSA-N 2 1 238.419 3.028 10 0 BGAEMP C[C@H]1CCC[C@H]([N@@H+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)C1 ZINC000049665895 177135059 /nfs/dbraw/zinc/13/50/59/177135059.db2.gz BVSLZSVMWLMADD-XQLPTFJDSA-N 2 1 238.419 3.028 10 0 BGAEMP C[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)C1 ZINC000049665896 177169745 /nfs/dbraw/zinc/16/97/45/177169745.db2.gz BVSLZSVMWLMADD-APIJFGDWSA-N 2 1 238.419 3.028 10 0 BGAEMP C[C@H]1CCC[C@@H]([N@@H+]2CC[C@@H](C)[NH2+][C@@H](C)CC2)C1 ZINC000049665898 177121702 /nfs/dbraw/zinc/12/17/02/177121702.db2.gz BVSLZSVMWLMADD-BYNSBNAKSA-N 2 1 238.419 3.028 10 0 BGAEMP CC[C@@H]1CC[N@@H+](CC2CCCC2)CC[C@H](C)[NH2+]1 ZINC000049666005 171009732 /nfs/dbraw/zinc/00/97/32/171009732.db2.gz KBXBATXZMUOGPF-DZGCQCFKSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[C@@H]1CC[N@H+]([C@@H](C)CC(C)C)CC[C@H](C)[NH2+]1 ZINC000049666035 171014278 /nfs/dbraw/zinc/01/42/78/171014278.db2.gz FXHFTRAIPPQWDT-SOUVJXGZSA-N 2 1 240.435 3.274 10 0 BGAEMP CC[C@@H]1CC[N@H+]([C@@H](C)CC(C)C)C[C@H](C)C[NH2+]1 ZINC000049666038 171014296 /nfs/dbraw/zinc/01/42/96/171014296.db2.gz LVQZIWLFADKTSK-QLFBSQMISA-N 2 1 240.435 3.131 10 0 BGAEMP CC[C@@H]1CC[N@@H+](CC2CCCCC2)CCC[NH2+]1 ZINC000049666058 171009216 /nfs/dbraw/zinc/00/92/16/171009216.db2.gz ZGYLWVBYOMDBOU-OAHLLOKOSA-N 2 1 238.419 3.031 10 0 BGAEMP C[C@@H]1CC[N@H+](CC2CCCCC2)CC[C@H](C)[NH2+]1 ZINC000049666070 177158823 /nfs/dbraw/zinc/15/88/23/177158823.db2.gz KUBNHYADXXSTGF-OKILXGFUSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[C@@H]1CC[N@@H+](CCC2CCCC2)CCC[NH2+]1 ZINC000049666878 171009824 /nfs/dbraw/zinc/00/98/24/171009824.db2.gz UDAGCILEMBDTEG-OAHLLOKOSA-N 2 1 238.419 3.031 10 0 BGAEMP C[C@@H]1CC[N@H+](CCC2CCCC2)CC[C@H](C)[NH2+]1 ZINC000049666890 177158966 /nfs/dbraw/zinc/15/89/66/177158966.db2.gz JVXXBGVFBSIVKV-OKILXGFUSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[C@H](C)[C@H](C)[N@H+]1CC[C@@H](CC)[NH2+]C[C@@H](C)C1 ZINC000049667232 171386208 /nfs/dbraw/zinc/38/62/08/171386208.db2.gz NMJZUUVEMRRMFD-CBBWQLFWSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[N@@H+](CC)[C@@H](CN)c1cc(C)ccc1C ZINC000049670409 169131289 /nfs/dbraw/zinc/13/12/89/169131289.db2.gz XSRLRYPEMUEIGS-HNNXBMFYSA-N 2 1 234.387 3.035 10 0 BGAEMP CCC[N@@H+](CC)[C@H](CN)c1cc(C)ccc1C ZINC000049670410 169132765 /nfs/dbraw/zinc/13/27/65/169132765.db2.gz XSRLRYPEMUEIGS-OAHLLOKOSA-N 2 1 234.387 3.035 10 0 BGAEMP C[NH2+][C@@H]1CC[N@H+](C2CCCCCCC2)[C@H](C)C1 ZINC000049707703 188125741 /nfs/dbraw/zinc/12/57/41/188125741.db2.gz FKZPSEVTKVQXLE-ZIAGYGMSSA-N 2 1 238.419 3.172 10 0 BGAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C[C@@H]1C ZINC000049708463 170151287 /nfs/dbraw/zinc/15/12/87/170151287.db2.gz UBQLNZFNVNECDW-OFQRWUPVSA-N 2 1 246.398 3.068 10 0 BGAEMP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C[C@@H]1C ZINC000049708465 170168304 /nfs/dbraw/zinc/16/83/04/170168304.db2.gz UBQLNZFNVNECDW-DZKIICNBSA-N 2 1 246.398 3.068 10 0 BGAEMP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000049708483 170152239 /nfs/dbraw/zinc/15/22/39/170152239.db2.gz IZGGPAPMPYZYPO-IJEWVQPXSA-N 2 1 246.398 3.210 10 0 BGAEMP CCC[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C[C@@H]1C ZINC000049709174 169282406 /nfs/dbraw/zinc/28/24/06/169282406.db2.gz NVTBPIKCNZSPSM-DZGCQCFKSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+][C@H]1CC[N@H+](C2CCCCC2)C[C@@H]1C ZINC000049709176 169291976 /nfs/dbraw/zinc/29/19/76/169291976.db2.gz NVTBPIKCNZSPSM-ZFWWWQNUSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+][C@@H]1CC[N@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709198 169281611 /nfs/dbraw/zinc/28/16/11/169281611.db2.gz SEXWVTQUSYBPGS-ZIAGYGMSSA-N 2 1 238.419 3.172 10 0 BGAEMP CCC[NH2+][C@H]1CC[N@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709201 169292047 /nfs/dbraw/zinc/29/20/47/169292047.db2.gz SEXWVTQUSYBPGS-KGLIPLIRSA-N 2 1 238.419 3.172 10 0 BGAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000049709521 170152961 /nfs/dbraw/zinc/15/29/61/170152961.db2.gz UNOCLDSRPRPTGP-GBJTYRQASA-N 2 1 238.419 3.028 10 0 BGAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCC(C)CC2)[C@H](C)C1 ZINC000049709763 170151676 /nfs/dbraw/zinc/15/16/76/170151676.db2.gz ABXMVLPNGLJFJP-PIOWNMBXSA-N 2 1 238.419 3.028 10 0 BGAEMP CC[NH2+][C@H]1CC[N@H+](C2CCC(C)CC2)[C@H](C)C1 ZINC000049709765 170166529 /nfs/dbraw/zinc/16/65/29/170166529.db2.gz ABXMVLPNGLJFJP-FUUBYGMNSA-N 2 1 238.419 3.028 10 0 BGAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCCCCC2)C[C@@H]1C ZINC000049710511 170152156 /nfs/dbraw/zinc/15/21/56/170152156.db2.gz BYLPBOHSLABYLG-DZGCQCFKSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@H]1CC[N@H+](C2CCCCCC2)C[C@@H]1C ZINC000049710513 170167019 /nfs/dbraw/zinc/16/70/19/170167019.db2.gz BYLPBOHSLABYLG-ZFWWWQNUSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCCCCC2)[C@H](C)C1 ZINC000049710542 170152323 /nfs/dbraw/zinc/15/23/23/170152323.db2.gz WRJHMORTMOFYRZ-ZIAGYGMSSA-N 2 1 238.419 3.172 10 0 BGAEMP CC[NH2+][C@H]1CC[N@H+](C2CCCCCC2)[C@H](C)C1 ZINC000049710545 170167220 /nfs/dbraw/zinc/16/72/20/170167220.db2.gz WRJHMORTMOFYRZ-KGLIPLIRSA-N 2 1 238.419 3.172 10 0 BGAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000049710653 170152812 /nfs/dbraw/zinc/15/28/12/170152812.db2.gz DWRJSADSHCOEEL-GBJTYRQASA-N 2 1 238.419 3.028 10 0 BGAEMP CCC[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC000049710699 169281922 /nfs/dbraw/zinc/28/19/22/169281922.db2.gz PGWCRFMSKLTWEN-UKRRQHHQSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+][C@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC000049710701 169291885 /nfs/dbraw/zinc/29/18/85/169291885.db2.gz PGWCRFMSKLTWEN-HIFRSBDPSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@@H]1CC[N@@H+](CC2CCCCC2)[C@H](C)C1 ZINC000049710749 170151471 /nfs/dbraw/zinc/15/14/71/170151471.db2.gz YTMNMVWGZVQINZ-UKRRQHHQSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)[C@H](C)C1 ZINC000049710751 170166859 /nfs/dbraw/zinc/16/68/59/170166859.db2.gz YTMNMVWGZVQINZ-HIFRSBDPSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)CC(C)C)C[C@@H]1C ZINC000049710769 169283318 /nfs/dbraw/zinc/28/33/18/169283318.db2.gz KEPQRKTXDGRTGQ-SOUVJXGZSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[NH2+][C@H]1CC[N@H+]([C@@H](C)CC(C)C)C[C@@H]1C ZINC000049710771 169291815 /nfs/dbraw/zinc/29/18/15/169291815.db2.gz KEPQRKTXDGRTGQ-KKUMJFAQSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)[C@H](C)C1 ZINC000049710794 169282730 /nfs/dbraw/zinc/28/27/30/169282730.db2.gz KFESKUUGJWAXPB-RRFJBIMHSA-N 2 1 240.435 3.274 10 0 BGAEMP CC[NH2+][C@@H]1CC[N@@H+](CCC2CCCC2)[C@H](C)C1 ZINC000049713051 170152294 /nfs/dbraw/zinc/15/22/94/170152294.db2.gz AHACRVISJHBVQZ-UKRRQHHQSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@H]1CC[N@@H+](CCC2CCCC2)[C@H](C)C1 ZINC000049713052 170166951 /nfs/dbraw/zinc/16/69/51/170166951.db2.gz AHACRVISJHBVQZ-HIFRSBDPSA-N 2 1 238.419 3.029 10 0 BGAEMP C[NH2+][C@@H]1CC[N@@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000049713069 188299250 /nfs/dbraw/zinc/29/92/50/188299250.db2.gz BDVNBUQPHMOALV-UKRRQHHQSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)[C@@H](C)CC)C[C@@H]1C ZINC000049713305 169283150 /nfs/dbraw/zinc/28/31/50/169283150.db2.gz PEMMYBMXWYNJRS-ZQDZILKHSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[NH2+][C@H]1CC[N@H+]([C@@H](C)[C@@H](C)CC)C[C@@H]1C ZINC000049713306 169291703 /nfs/dbraw/zinc/29/17/03/169291703.db2.gz PEMMYBMXWYNJRS-AJNGGQMLSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](CC)C(C)C)C[C@@H]1C ZINC000049713465 169282739 /nfs/dbraw/zinc/28/27/39/169282739.db2.gz SWTJBKBYZQLOTI-ZNMIVQPWSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[NH2+][C@H]1CC[N@H+]([C@@H](CC)C(C)C)C[C@@H]1C ZINC000049713466 169291966 /nfs/dbraw/zinc/29/19/66/169291966.db2.gz SWTJBKBYZQLOTI-KKUMJFAQSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](CC)C(C)C)[C@H](C)C1 ZINC000049713475 169283229 /nfs/dbraw/zinc/28/32/29/169283229.db2.gz VVKUIKNBUBPZGK-KFWWJZLASA-N 2 1 240.435 3.274 10 0 BGAEMP C[C@@H](c1cccs1)[N@@H+](C)CC1([NH3+])CCCC1 ZINC000049717038 176032877 /nfs/dbraw/zinc/03/28/77/176032877.db2.gz MIOJFXCCLKVHSQ-NSHDSACASA-N 2 1 238.400 3.012 10 0 BGAEMP C[C@@H](c1cccs1)[N@H+](C)CC1([NH3+])CCCC1 ZINC000049717038 176032875 /nfs/dbraw/zinc/03/28/75/176032875.db2.gz MIOJFXCCLKVHSQ-NSHDSACASA-N 2 1 238.400 3.012 10 0 BGAEMP C[C@H](c1cccs1)[N@@H+](C)CC1([NH3+])CCCC1 ZINC000049717039 177048426 /nfs/dbraw/zinc/04/84/26/177048426.db2.gz MIOJFXCCLKVHSQ-LLVKDONJSA-N 2 1 238.400 3.012 10 0 BGAEMP C[C@H](c1cccs1)[N@H+](C)CC1([NH3+])CCCC1 ZINC000049717039 177048425 /nfs/dbraw/zinc/04/84/25/177048425.db2.gz MIOJFXCCLKVHSQ-LLVKDONJSA-N 2 1 238.400 3.012 10 0 BGAEMP C[C@@H](c1cccs1)[N@H+](C)C1(C[NH3+])CCCC1 ZINC000049726267 176033495 /nfs/dbraw/zinc/03/34/95/176033495.db2.gz MRDZGAXZZHLHNQ-NSHDSACASA-N 2 1 238.400 3.012 10 0 BGAEMP C[C@H](c1cccs1)[N@H+](C)C1(C[NH3+])CCCC1 ZINC000049726269 177048760 /nfs/dbraw/zinc/04/87/60/177048760.db2.gz MRDZGAXZZHLHNQ-LLVKDONJSA-N 2 1 238.400 3.012 10 0 BGAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C1CCCCCC1 ZINC000049773339 173006138 /nfs/dbraw/zinc/00/61/38/173006138.db2.gz WLTHPVROIDEIPA-OAHLLOKOSA-N 2 1 238.419 3.173 10 0 BGAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]C1CCCCCC1 ZINC000049773340 173007007 /nfs/dbraw/zinc/00/70/07/173007007.db2.gz WLTHPVROIDEIPA-HNNXBMFYSA-N 2 1 238.419 3.173 10 0 BGAEMP CCC[N@@H+](CC(C)C)C1(CN)CCCCCC1 ZINC000050090107 169106083 /nfs/dbraw/zinc/10/60/83/169106083.db2.gz VHBAMRYLKCXHHA-UHFFFAOYSA-N 2 1 240.435 3.406 10 0 BGAEMP CC[NH2+][C@@H](C)[C@@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000050346707 170140006 /nfs/dbraw/zinc/14/00/06/170140006.db2.gz XISHCEACRWEADQ-QWHCGFSZSA-N 2 1 240.435 3.131 10 0 BGAEMP CC[NH2+][C@H](C)[C@@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000050346710 170158241 /nfs/dbraw/zinc/15/82/41/170158241.db2.gz XISHCEACRWEADQ-CHWSQXEVSA-N 2 1 240.435 3.131 10 0 BGAEMP CC[NH2+][C@@H](C)[C@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000050346713 170140737 /nfs/dbraw/zinc/14/07/37/170140737.db2.gz XISHCEACRWEADQ-STQMWFEESA-N 2 1 240.435 3.131 10 0 BGAEMP CC[NH2+][C@H](C)[C@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000050346715 170158748 /nfs/dbraw/zinc/15/87/48/170158748.db2.gz XISHCEACRWEADQ-OLZOCXBDSA-N 2 1 240.435 3.131 10 0 BGAEMP CCCC[C@H]([NH3+])C[NH+]1CCC(C(C)(C)C)CC1 ZINC000050348952 169009383 /nfs/dbraw/zinc/00/93/83/169009383.db2.gz LOMXWVYYETYJKV-AWEZNQCLSA-N 2 1 240.435 3.262 10 0 BGAEMP CC[C@H](C)C[N@@H+](CCC[NH3+])C1CCCCCC1 ZINC000050424167 171278843 /nfs/dbraw/zinc/27/88/43/171278843.db2.gz SCXJNZIBNLLORD-AWEZNQCLSA-N 2 1 240.435 3.406 10 0 BGAEMP CC[NH2+][C@H](C)CCCC[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000050564265 170156888 /nfs/dbraw/zinc/15/68/88/170156888.db2.gz TTZBESYWNRDZDB-ZNMIVQPWSA-N 2 1 240.435 3.275 10 0 BGAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050952465 177115937 /nfs/dbraw/zinc/11/59/37/177115937.db2.gz NFJQXXIFZKQMKE-ZNMIVQPWSA-N 2 1 238.419 3.172 10 0 BGAEMP C[C@@H]1CCC[N@@H+](CCC[C@@H]2CCCC[NH2+]2)[C@@H]1C ZINC000050954345 176098052 /nfs/dbraw/zinc/09/80/52/176098052.db2.gz ZVQVZVZAPBXNLY-KFWWJZLASA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050954350 177097651 /nfs/dbraw/zinc/09/76/51/177097651.db2.gz ZVQVZVZAPBXNLY-ZNMIVQPWSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+]C[C@](C)(CCC)C[N@H+]1CCC[C@@H]1C ZINC000051205529 169264555 /nfs/dbraw/zinc/26/45/55/169264555.db2.gz VHIDKQUUOCUERC-GJZGRUSLSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]C[C@@](C)(CCC)C[N@H+]1CCC[C@@H]1C ZINC000051205532 169263973 /nfs/dbraw/zinc/26/39/73/169263973.db2.gz VHIDKQUUOCUERC-LSDHHAIUSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC(CC)(C[NH2+]C(C)C)C[N@H+]1CCC[C@@H]1C ZINC000051205688 168325401 /nfs/dbraw/zinc/32/54/01/168325401.db2.gz QMQSOKITCXSSGN-AWEZNQCLSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(CC)(C[NH2+]C(C)C)C[N@H+]1CCC[C@H]1C ZINC000051205689 168325900 /nfs/dbraw/zinc/32/59/00/168325900.db2.gz QMQSOKITCXSSGN-CQSZACIVSA-N 2 1 240.435 3.275 10 0 BGAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC000051205713 170111271 /nfs/dbraw/zinc/11/12/71/170111271.db2.gz AEBQZVYYBNVMCT-AWEZNQCLSA-N 2 1 238.419 3.031 10 0 BGAEMP CC[NH2+]CC1(C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC000051205716 170110455 /nfs/dbraw/zinc/11/04/55/170110455.db2.gz AEBQZVYYBNVMCT-CQSZACIVSA-N 2 1 238.419 3.031 10 0 BGAEMP CC[NH2+]CC(CC)(CC)C[N@H+]1CCCC[C@@H]1C ZINC000051208883 170110358 /nfs/dbraw/zinc/11/03/58/170110358.db2.gz RRSKVCYUMKLUID-AWEZNQCLSA-N 2 1 240.435 3.277 10 0 BGAEMP CC[NH2+]CC(CC)(CC)C[N@H+]1CCCC[C@H]1C ZINC000051208887 170110533 /nfs/dbraw/zinc/11/05/33/170110533.db2.gz RRSKVCYUMKLUID-CQSZACIVSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]C[C@@](C)(CC)C[N@H+]1CCCC[C@@H]1C ZINC000051209018 169263534 /nfs/dbraw/zinc/26/35/34/169263534.db2.gz GVOYMIBFABSTAQ-LSDHHAIUSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]C[C@](C)(CC)C[N@H+]1CCCC[C@@H]1C ZINC000051209021 169264734 /nfs/dbraw/zinc/26/47/34/169264734.db2.gz GVOYMIBFABSTAQ-GJZGRUSLSA-N 2 1 240.435 3.277 10 0 BGAEMP CC[NH2+]CC(CC)(CC)C[N@H+]1CCC[C@H](C)C1 ZINC000051210196 170110682 /nfs/dbraw/zinc/11/06/82/170110682.db2.gz XWTJJCGDYQCZHM-AWEZNQCLSA-N 2 1 240.435 3.134 10 0 BGAEMP CC[NH2+]CC(CC)(CC)C[N@H+]1CCC[C@@H](C)C1 ZINC000051210200 170110515 /nfs/dbraw/zinc/11/05/15/170110515.db2.gz XWTJJCGDYQCZHM-CQSZACIVSA-N 2 1 240.435 3.134 10 0 BGAEMP CCC[NH2+]C[C@@](C)(CC)C[N@H+]1CCC[C@H](C)C1 ZINC000051210301 169263514 /nfs/dbraw/zinc/26/35/14/169263514.db2.gz QAHBUYZAMUZCKS-LSDHHAIUSA-N 2 1 240.435 3.134 10 0 BGAEMP CCC[NH2+]C[C@](C)(CC)C[N@H+]1CCC[C@H](C)C1 ZINC000051210303 169264433 /nfs/dbraw/zinc/26/44/33/169264433.db2.gz QAHBUYZAMUZCKS-GJZGRUSLSA-N 2 1 240.435 3.134 10 0 BGAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)C(C)C)CCCC1 ZINC000051210881 167003882 /nfs/dbraw/zinc/00/38/82/167003882.db2.gz BKYBVTOUHLRYGJ-UHFFFAOYSA-N 2 1 240.435 3.133 10 0 BGAEMP CC(C)[NH2+]CC1(C[N@@H+](C)C(C)C)CCCCC1 ZINC000051210940 167100688 /nfs/dbraw/zinc/10/06/88/167100688.db2.gz MYNZGDVXAQUVJF-UHFFFAOYSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[NH+](CCC)C[C@@](C)(C[NH3+])c1ccccc1 ZINC000051211237 169148486 /nfs/dbraw/zinc/14/84/86/169148486.db2.gz XVVUATGRZFNZPR-MRXNPFEDSA-N 2 1 248.414 3.025 10 0 BGAEMP CCC[NH+](CCC)C[C@](C)(C[NH3+])c1ccccc1 ZINC000051211239 169148935 /nfs/dbraw/zinc/14/89/35/169148935.db2.gz XVVUATGRZFNZPR-INIZCTEOSA-N 2 1 248.414 3.025 10 0 BGAEMP CC[C@@](C)(C[NH3+])C[N@@H+](Cc1ccccc1)C(C)C ZINC000051211964 171166829 /nfs/dbraw/zinc/16/68/29/171166829.db2.gz GAUWYIUAXWXHRE-INIZCTEOSA-N 2 1 248.414 3.272 10 0 BGAEMP CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000051214093 170110402 /nfs/dbraw/zinc/11/04/02/170110402.db2.gz WUHWLNGHRXSDHJ-UHFFFAOYSA-N 2 1 248.414 3.063 10 0 BGAEMP CC[C@H](C)[N@@H+](C)CC1(C[NH2+]C(C)C)CCCC1 ZINC000051214661 171305017 /nfs/dbraw/zinc/30/50/17/171305017.db2.gz SDBISCXOKPKCNU-AWEZNQCLSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[NH2+]CC1(C[N@@H+](CC)CCC)CCCC1 ZINC000051214780 169257447 /nfs/dbraw/zinc/25/74/47/169257447.db2.gz DHZVUZBADFPUJN-UHFFFAOYSA-N 2 1 240.435 3.278 10 0 BGAEMP CCC[N@@H+](CC)CC(CC)(CC)C[NH2+]C1CC1 ZINC000051214808 169121472 /nfs/dbraw/zinc/12/14/72/169121472.db2.gz VSSDRXNCMUWJDK-UHFFFAOYSA-N 2 1 240.435 3.277 10 0 BGAEMP CC(C)[NH2+]CC1(C[N@@H+](C)C2CC2)CCCCC1 ZINC000051215170 167099502 /nfs/dbraw/zinc/09/95/02/167099502.db2.gz DQFSCMGGPOKXBY-UHFFFAOYSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+]CC(C)(C)C[N@H+]1CCCC[C@@H]1CC ZINC000051215244 169255983 /nfs/dbraw/zinc/25/59/83/169255983.db2.gz PAONZJDMLMRQMA-AWEZNQCLSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]CC(C)(C)C[N@H+]1CCCC[C@H]1CC ZINC000051215245 169255465 /nfs/dbraw/zinc/25/54/65/169255465.db2.gz PAONZJDMLMRQMA-CQSZACIVSA-N 2 1 240.435 3.277 10 0 BGAEMP CC[NH2+]CC1(C[N@@H+](CC)C(C)C)CCCCC1 ZINC000051215344 170110208 /nfs/dbraw/zinc/11/02/08/170110208.db2.gz RIHIHHIBTNZSQF-UHFFFAOYSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[N@@H+](C)CC1(C[NH2+]C(C)(C)C)CCCC1 ZINC000051215410 169075848 /nfs/dbraw/zinc/07/58/48/169075848.db2.gz ZDFFAPCUSROJNT-UHFFFAOYSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]CC1(C[N@@H+](C)CCC)CCCCC1 ZINC000051215439 169257374 /nfs/dbraw/zinc/25/73/74/169257374.db2.gz ZKWWFQJRTRORDS-UHFFFAOYSA-N 2 1 240.435 3.278 10 0 BGAEMP CC[C@@](C)(C[NH2+]C(C)C)C[N@@H+](C)C1CCCC1 ZINC000051215567 171167218 /nfs/dbraw/zinc/16/72/18/171167218.db2.gz SLKSCGGYFFISSH-HNNXBMFYSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[NH2+]C[C@](C)(CCC)C[N@@H+](C)CC(C)C ZINC000051215579 169264708 /nfs/dbraw/zinc/26/47/08/169264708.db2.gz QBYAHRAGJKWEEZ-HNNXBMFYSA-N 2 1 242.451 3.380 10 0 BGAEMP CCC[NH2+]C[C@@](C)(CCC)C[N@@H+](C)CC(C)C ZINC000051215580 169263192 /nfs/dbraw/zinc/26/31/92/169263192.db2.gz QBYAHRAGJKWEEZ-OAHLLOKOSA-N 2 1 242.451 3.380 10 0 BGAEMP CCC[NH2+]CC1(C[N@@H+](C)CC(C)C)CCCC1 ZINC000051215589 169257682 /nfs/dbraw/zinc/25/76/82/169257682.db2.gz SETLTAZBGVMGLY-UHFFFAOYSA-N 2 1 240.435 3.134 10 0 BGAEMP CCC(CC)(C[NH2+]C1CC1)C[N@@H+](C)CC(C)C ZINC000051215617 168325195 /nfs/dbraw/zinc/32/51/95/168325195.db2.gz FEXZSIHPSNYSRW-UHFFFAOYSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[N@@H+](C[C@](C)(C[NH3+])c1ccccc1)C(C)C ZINC000051215784 169172578 /nfs/dbraw/zinc/17/25/78/169172578.db2.gz NQSYPLCUIUKZBD-INIZCTEOSA-N 2 1 248.414 3.023 10 0 BGAEMP CCC[N@H+](C[C@](C)(C[NH3+])c1ccccc1)C(C)C ZINC000051215784 169172576 /nfs/dbraw/zinc/17/25/76/169172576.db2.gz NQSYPLCUIUKZBD-INIZCTEOSA-N 2 1 248.414 3.023 10 0 BGAEMP CCC[N@@H+](CC1(C[NH2+]C)CCCCC1)C1CC1 ZINC000051215886 169132997 /nfs/dbraw/zinc/13/29/97/169132997.db2.gz STVVYIZPJGBKLU-UHFFFAOYSA-N 2 1 238.419 3.031 10 0 BGAEMP CCC[N@@H+](C[C@](C)(CC)C[NH2+]C(C)C)C1CC1 ZINC000051215921 169173143 /nfs/dbraw/zinc/17/31/43/169173143.db2.gz SHGYJGPNVWTZLC-OAHLLOKOSA-N 2 1 240.435 3.275 10 0 BGAEMP CC[C@H](C)C[N@@H+](C)CC(C)(C)C[NH2+]C(C)(C)C ZINC000051215973 171272259 /nfs/dbraw/zinc/27/22/59/171272259.db2.gz NSSRSFWFYKPVND-ZDUSSCGKSA-N 2 1 242.451 3.379 10 0 BGAEMP CC[C@H](C)C[N@@H+](C)C[C@@](C)(CC)C[NH2+]C(C)C ZINC000051216019 171272962 /nfs/dbraw/zinc/27/29/62/171272962.db2.gz PQIXDUNLGFYBOY-GJZGRUSLSA-N 2 1 242.451 3.379 10 0 BGAEMP CC[NH2+]CC1(C[N@@H+](C)[C@@H](C)C(C)C)CCCC1 ZINC000051217314 170110649 /nfs/dbraw/zinc/11/06/49/170110649.db2.gz CPCQKIAAECMOEN-AWEZNQCLSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+]CC1(C[N@@H+](C)[C@H](C)C(C)C)CCCC1 ZINC000051217315 170111147 /nfs/dbraw/zinc/11/11/47/170111147.db2.gz CPCQKIAAECMOEN-CQSZACIVSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+]CC(CC)(CC)C[N@@H+](C)[C@@H](C)C(C)C ZINC000051217356 170110864 /nfs/dbraw/zinc/11/08/64/170110864.db2.gz VBIRCAOKWARGFC-AWEZNQCLSA-N 2 1 242.451 3.379 10 0 BGAEMP CC[NH2+]CC(CC)(CC)C[N@@H+](C)[C@H](C)C(C)C ZINC000051217357 170110213 /nfs/dbraw/zinc/11/02/13/170110213.db2.gz VBIRCAOKWARGFC-CQSZACIVSA-N 2 1 242.451 3.379 10 0 BGAEMP C[NH2+]CC1(C[N@@H+](C)[C@H](C)C(C)C)CCCCC1 ZINC000051217364 173337909 /nfs/dbraw/zinc/33/79/09/173337909.db2.gz YKEAHAHDZGEYNZ-CQSZACIVSA-N 2 1 240.435 3.133 10 0 BGAEMP C[NH2+]CC1(C[N@@H+](C)[C@@H](C)C(C)C)CCCCC1 ZINC000051217365 173338031 /nfs/dbraw/zinc/33/80/31/173338031.db2.gz YKEAHAHDZGEYNZ-AWEZNQCLSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[C@@](C)(C[NH2+]C(C)C)C[N@@H+](C)[C@@H](C)C(C)C ZINC000051217402 171166404 /nfs/dbraw/zinc/16/64/04/171166404.db2.gz JRLKHVWERHXITF-GJZGRUSLSA-N 2 1 242.451 3.377 10 0 BGAEMP CC[NH2+]CC(CC)(CC)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000051217552 170110597 /nfs/dbraw/zinc/11/05/97/170110597.db2.gz SJVJSYQKYWHWSU-ZDUSSCGKSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+]CC(CC)(CC)C[N@@H+](C)[C@H](C)C1CC1 ZINC000051217553 170110487 /nfs/dbraw/zinc/11/04/87/170110487.db2.gz SJVJSYQKYWHWSU-CYBMUJFWSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+]C[C@](C)(CC)C[N@H+]1CCC[C@@H](CC)C1 ZINC000051217772 170123795 /nfs/dbraw/zinc/12/37/95/170123795.db2.gz HNAJLVVOMVWLBS-CABCVRRESA-N 2 1 240.435 3.134 10 0 BGAEMP CC[NH2+]C[C@](C)(CC)C[N@H+]1CCC[C@H](CC)C1 ZINC000051217773 170123377 /nfs/dbraw/zinc/12/33/77/170123377.db2.gz HNAJLVVOMVWLBS-GJZGRUSLSA-N 2 1 240.435 3.134 10 0 BGAEMP CCC[C@@H](C)[N@@H+](C)CC1(C[NH2+]CC)CCCC1 ZINC000051218066 169364126 /nfs/dbraw/zinc/36/41/26/169364126.db2.gz KENPIRWIJYYNBV-CQSZACIVSA-N 2 1 240.435 3.277 10 0 BGAEMP CC[NH2+]CC(C)(C)C[N@@H+](C)C1CCCCCC1 ZINC000051248677 170110669 /nfs/dbraw/zinc/11/06/69/170110669.db2.gz MAARZVXQYAZCTR-UHFFFAOYSA-N 2 1 240.435 3.277 10 0 BGAEMP C[C@@H]1CCC[N@@H+](CC2(C[NH3+])CCCCC2)[C@@H]1C ZINC000051249245 176096237 /nfs/dbraw/zinc/09/62/37/176096237.db2.gz FAANIYGUXZEVET-ZIAGYGMSSA-N 2 1 238.419 3.016 10 0 BGAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC1(C[NH3+])CCCCC1 ZINC000051249246 177095843 /nfs/dbraw/zinc/09/58/43/177095843.db2.gz FAANIYGUXZEVET-UONOGXRCSA-N 2 1 238.419 3.016 10 0 BGAEMP CC[NH2+]C[C@](C)(CC)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000051249301 170123230 /nfs/dbraw/zinc/12/32/30/170123230.db2.gz HKRSXVXKWPXEIP-KKUMJFAQSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+]CC(CC)(CC)C[N@H+]1CC[C@H](C)C1 ZINC000051249992 169257702 /nfs/dbraw/zinc/25/77/02/169257702.db2.gz RXZAZTKDPUMSKQ-AWEZNQCLSA-N 2 1 240.435 3.134 10 0 BGAEMP CCC[NH2+]CC(CC)(CC)C[N@H+]1CC[C@@H](C)C1 ZINC000051249993 169257629 /nfs/dbraw/zinc/25/76/29/169257629.db2.gz RXZAZTKDPUMSKQ-CQSZACIVSA-N 2 1 240.435 3.134 10 0 BGAEMP CCC[N@@H+](CC1CC1)C[C@@](C)(CCC)C[NH2+]C ZINC000051251864 169137490 /nfs/dbraw/zinc/13/74/90/169137490.db2.gz ZNTHFENNBJTTPV-HNNXBMFYSA-N 2 1 240.435 3.134 10 0 BGAEMP CCC[N@@H+](CC1CC1)C[C@](C)(CCC)C[NH2+]C ZINC000051251865 169138006 /nfs/dbraw/zinc/13/80/06/169138006.db2.gz ZNTHFENNBJTTPV-OAHLLOKOSA-N 2 1 240.435 3.134 10 0 BGAEMP CCC[N@@H+](CC1CC1)CC(C)(C)C[NH2+]C(C)C ZINC000051251892 169138817 /nfs/dbraw/zinc/13/88/17/169138817.db2.gz BLUQFTVMSHOXJQ-UHFFFAOYSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[N@@H+](CC1CC1)CC(CC)(CC)C[NH2+]C ZINC000051251896 169137533 /nfs/dbraw/zinc/13/75/33/169137533.db2.gz DTUQBFFWLORWDT-UHFFFAOYSA-N 2 1 240.435 3.134 10 0 BGAEMP CCC[NH2+]CC(C)(C)C[N@@H+](CC(C)C)C1CC1 ZINC000051252386 169255995 /nfs/dbraw/zinc/25/59/95/169255995.db2.gz ILBMWGHODMTRFK-UHFFFAOYSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+]C[C@](C)(CC)C[N@@H+](CC(C)C)C1CC1 ZINC000051252418 170123626 /nfs/dbraw/zinc/12/36/26/170123626.db2.gz IESSFNGMKIUMAQ-HNNXBMFYSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+]C[C@@](C)(CC)C[N@@H+](CC(C)C)C1CC1 ZINC000051252419 170120841 /nfs/dbraw/zinc/12/08/41/170120841.db2.gz IESSFNGMKIUMAQ-OAHLLOKOSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC(CC)(C[NH3+])C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000051256050 168322292 /nfs/dbraw/zinc/32/22/92/168322292.db2.gz XTUVCTNSNCHVBC-UONOGXRCSA-N 2 1 240.435 3.262 10 0 BGAEMP CCC(CC)(C[NH3+])C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000051256052 168322844 /nfs/dbraw/zinc/32/28/44/168322844.db2.gz XTUVCTNSNCHVBC-KBPBESRZSA-N 2 1 240.435 3.262 10 0 BGAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC1(C[NH3+])CCCC1 ZINC000051256082 176078749 /nfs/dbraw/zinc/07/87/49/176078749.db2.gz LPUYOKZPIOWBPJ-KGLIPLIRSA-N 2 1 238.419 3.016 10 0 BGAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CC1(C[NH3+])CCCC1 ZINC000051256086 176086384 /nfs/dbraw/zinc/08/63/84/176086384.db2.gz LPUYOKZPIOWBPJ-ZIAGYGMSSA-N 2 1 238.419 3.016 10 0 BGAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)CC1(C[NH3+])CCCC1 ZINC000051256088 177087238 /nfs/dbraw/zinc/08/72/38/177087238.db2.gz LPUYOKZPIOWBPJ-UONOGXRCSA-N 2 1 238.419 3.016 10 0 BGAEMP CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1C ZINC000051256401 170110785 /nfs/dbraw/zinc/11/07/85/170110785.db2.gz UJXSETMIAKDHLY-UHFFFAOYSA-N 2 1 248.414 3.063 10 0 BGAEMP CC[NH2+]CC1(C[N@@H+](C)CC(C)(C)C)CCCC1 ZINC000051257427 170111215 /nfs/dbraw/zinc/11/12/15/170111215.db2.gz TWQBMULBXJJNIP-UHFFFAOYSA-N 2 1 240.435 3.134 10 0 BGAEMP CC[NH2+]CC(CC)(CC)C[N@@H+](C)CC(C)(C)C ZINC000051257478 170110342 /nfs/dbraw/zinc/11/03/42/170110342.db2.gz HDFWNZZXFZNIJA-UHFFFAOYSA-N 2 1 242.451 3.380 10 0 BGAEMP CCC(CC)(C[NH2+]C)C[N@@H+](C)[C@@H](C)CC(C)C ZINC000051258485 168325713 /nfs/dbraw/zinc/32/57/13/168325713.db2.gz BOJWHDPRCZGWEK-AWEZNQCLSA-N 2 1 242.451 3.379 10 0 BGAEMP CCC(CC)(C[NH2+]C)C[N@@H+](C)[C@H](C)CC(C)C ZINC000051258487 168325488 /nfs/dbraw/zinc/32/54/88/168325488.db2.gz BOJWHDPRCZGWEK-CQSZACIVSA-N 2 1 242.451 3.379 10 0 BGAEMP CCC[NH2+]CC(C)(C)C[N@@H+](CC(C)C)C(C)C ZINC000051259248 169255170 /nfs/dbraw/zinc/25/51/70/169255170.db2.gz SYJLKHJZOGPOBJ-UHFFFAOYSA-N 2 1 242.451 3.379 10 0 BGAEMP CC(C)[NH2+]CC(C)(C)C[N@@H+](CC1CC1)C(C)C ZINC000051259485 167096698 /nfs/dbraw/zinc/09/66/98/167096698.db2.gz CFWHBIMERNBBHH-UHFFFAOYSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC(CC)(C[NH2+]C)C[N@@H+](CC1CC1)C(C)C ZINC000051259494 168325561 /nfs/dbraw/zinc/32/55/61/168325561.db2.gz FRXZRHJPAFIVAE-UHFFFAOYSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+]C[C@](C)(CC)C[N@@H+](CC1CC1)C(C)C ZINC000051259551 170123277 /nfs/dbraw/zinc/12/32/77/170123277.db2.gz UYHMLPNLWULISH-HNNXBMFYSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+]C[C@@](C)(CC)C[N@@H+](CC1CC1)C(C)C ZINC000051259553 170120706 /nfs/dbraw/zinc/12/07/06/170120706.db2.gz UYHMLPNLWULISH-OAHLLOKOSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+]CC(CC)(CC)C[N@@H+](C)CCC(C)C ZINC000051259699 170110603 /nfs/dbraw/zinc/11/06/03/170110603.db2.gz OVVLDZJHJDNMJG-UHFFFAOYSA-N 2 1 242.451 3.380 10 0 BGAEMP CC[NH2+]CC(C)(C)C[N@@H+](C)CC1CCCCC1 ZINC000051283834 170110296 /nfs/dbraw/zinc/11/02/96/170110296.db2.gz LVKDOOKLVLZXDV-UHFFFAOYSA-N 2 1 240.435 3.134 10 0 BGAEMP CC[C@@](C)(C[NH2+]C)C[N@@H+](C)Cc1cccc(C)c1 ZINC000051286290 171167206 /nfs/dbraw/zinc/16/72/06/171167206.db2.gz AISGEAHYLTYWMR-INIZCTEOSA-N 2 1 248.414 3.063 10 0 BGAEMP CCC[C@@H](C)C[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000051297726 169357738 /nfs/dbraw/zinc/35/77/38/169357738.db2.gz JKQWKLWRBQDFPM-CYBMUJFWSA-N 2 1 234.387 3.013 10 0 BGAEMP CCC[C@@H](C)C[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000051297802 169358240 /nfs/dbraw/zinc/35/82/40/169358240.db2.gz BCUXPGLHNOJVRO-CYBMUJFWSA-N 2 1 234.387 3.013 10 0 BGAEMP CCC[NH2+][C@H](C)CCC[N@H+]1CC[C@H](C)C[C@@H]1C ZINC000051730959 169286330 /nfs/dbraw/zinc/28/63/30/169286330.db2.gz NDUMZDAGASPYRI-ZNMIVQPWSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[NH2+][C@H](CC)[C@H](C)[N@H+]1CC[C@H](C)C[C@@H]1C ZINC000051731563 169288213 /nfs/dbraw/zinc/28/82/13/169288213.db2.gz FBMKHCNFWJDBMK-ZQDZILKHSA-N 2 1 240.435 3.274 10 0 BGAEMP C[C@@H]1CC[N@@H+](CC2(C[NH3+])CCCCC2)[C@H](C)C1 ZINC000051748488 176168968 /nfs/dbraw/zinc/16/89/68/176168968.db2.gz AGHUDWBAZJJANS-ZIAGYGMSSA-N 2 1 238.419 3.016 10 0 BGAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1CC1(C[NH3+])CCCCC1 ZINC000051748490 177159256 /nfs/dbraw/zinc/15/92/56/177159256.db2.gz AGHUDWBAZJJANS-UONOGXRCSA-N 2 1 238.419 3.016 10 0 BGAEMP CCC[NH2+][C@@H](C)CCCCn1c[nH+]c(C)c1C ZINC000051926288 169274976 /nfs/dbraw/zinc/27/49/76/169274976.db2.gz RDMJZBFMUHERBT-LBPRGKRZSA-N 2 1 237.391 3.058 10 0 BGAEMP CCC[NH2+][C@H](C)CCCCn1c[nH+]c(C)c1C ZINC000051926289 169286527 /nfs/dbraw/zinc/28/65/27/169286527.db2.gz RDMJZBFMUHERBT-GFCCVEGCSA-N 2 1 237.391 3.058 10 0 BGAEMP Cc1[nH+]cn([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1C ZINC000051926419 180289668 /nfs/dbraw/zinc/28/96/68/180289668.db2.gz MNQKONYQQMEQDN-HZSPNIEDSA-N 2 1 249.402 3.215 10 0 BGAEMP Cc1[nH+]cn([C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1C ZINC000051926420 180289756 /nfs/dbraw/zinc/28/97/56/180289756.db2.gz MNQKONYQQMEQDN-RDBSUJKOSA-N 2 1 249.402 3.215 10 0 BGAEMP Cc1[nH+]cn([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1C ZINC000051926421 180289583 /nfs/dbraw/zinc/28/95/83/180289583.db2.gz MNQKONYQQMEQDN-MELADBBJSA-N 2 1 249.402 3.215 10 0 BGAEMP Cc1[nH+]cn([C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1C ZINC000051926422 180288813 /nfs/dbraw/zinc/28/88/13/180288813.db2.gz MNQKONYQQMEQDN-IHRRRGAJSA-N 2 1 249.402 3.215 10 0 BGAEMP CCC[NH2+][C@@H]1CCCCC[C@@H]1n1c[nH+]c(C)c1C ZINC000051926733 169281551 /nfs/dbraw/zinc/28/15/51/169281551.db2.gz RXDZZWQQTWONEY-CABCVRRESA-N 2 1 249.402 3.373 10 0 BGAEMP CCC[NH2+][C@H]1CCCCC[C@@H]1n1c[nH+]c(C)c1C ZINC000051926734 169290689 /nfs/dbraw/zinc/29/06/89/169290689.db2.gz RXDZZWQQTWONEY-GJZGRUSLSA-N 2 1 249.402 3.373 10 0 BGAEMP CCC[NH2+][C@@H]1CCCCC[C@H]1n1c[nH+]c(C)c1C ZINC000051926735 169282250 /nfs/dbraw/zinc/28/22/50/169282250.db2.gz RXDZZWQQTWONEY-HUUCEWRRSA-N 2 1 249.402 3.373 10 0 BGAEMP CCC[NH2+][C@H]1CCCCC[C@H]1n1c[nH+]c(C)c1C ZINC000051926736 169290660 /nfs/dbraw/zinc/29/06/60/169290660.db2.gz RXDZZWQQTWONEY-LSDHHAIUSA-N 2 1 249.402 3.373 10 0 BGAEMP CC[NH2+][C@@H]1CC[C@@H](CC)C[C@H]1n1c[nH+]c(C)c1C ZINC000051926876 170152588 /nfs/dbraw/zinc/15/25/88/170152588.db2.gz ISNPNYUXEUPODW-RBSFLKMASA-N 2 1 249.402 3.229 10 0 BGAEMP CC[NH2+][C@@H]1CC[C@H](CC)C[C@H]1n1c[nH+]c(C)c1C ZINC000051926877 170154032 /nfs/dbraw/zinc/15/40/32/170154032.db2.gz ISNPNYUXEUPODW-RRFJBIMHSA-N 2 1 249.402 3.229 10 0 BGAEMP CCC[NH2+]C[C@@H](C)C[N@@H+](C)C1CCC(C)CC1 ZINC000052345341 169261251 /nfs/dbraw/zinc/26/12/51/169261251.db2.gz OMBGZVWXVBXHQB-SHARSMKWSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+]C[C@H](C)C[N@@H+](C)C1CCC(C)CC1 ZINC000052345342 169264075 /nfs/dbraw/zinc/26/40/75/169264075.db2.gz OMBGZVWXVBXHQB-SLTAFYQDSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+]CC[C@@H](C)[N@@H+](C)C1CCC(C)CC1 ZINC000052345487 169260500 /nfs/dbraw/zinc/26/05/00/169260500.db2.gz YBKCDRXEAFVUJD-SHARSMKWSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[NH2+]CC[C@H](C)[N@@H+](C)C1CCC(C)CC1 ZINC000052345488 169261568 /nfs/dbraw/zinc/26/15/68/169261568.db2.gz YBKCDRXEAFVUJD-SLTAFYQDSA-N 2 1 240.435 3.275 10 0 BGAEMP CC[NH2+]C[C@H](C)C[N@@H+](C)C1CCC(CC)CC1 ZINC000052345544 170121705 /nfs/dbraw/zinc/12/17/05/170121705.db2.gz DZAUZKOIYKBLFP-NFOMZHRRSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+]C[C@@H](C)C[N@@H+](C)C1CCC(CC)CC1 ZINC000052345545 170118801 /nfs/dbraw/zinc/11/88/01/170118801.db2.gz DZAUZKOIYKBLFP-WLYUNCDWSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+]CC[C@H](C)[N@@H+](C)C1CCC(CC)CC1 ZINC000052345644 170117144 /nfs/dbraw/zinc/11/71/44/170117144.db2.gz IELQYGPLDWIHHB-NFOMZHRRSA-N 2 1 240.435 3.275 10 0 BGAEMP CC(C)C[NH2+]CCCC[N@@H+](CC1CC1)C(C)C ZINC000052345681 167002445 /nfs/dbraw/zinc/00/24/45/167002445.db2.gz RWXLQJWQSHEIRQ-UHFFFAOYSA-N 2 1 240.435 3.133 10 0 BGAEMP CC(C)[NH2+]CCCCC[N@@H+](CC1CC1)C(C)C ZINC000052345826 167102847 /nfs/dbraw/zinc/10/28/47/167102847.db2.gz WBAZEPXZLQLOGV-UHFFFAOYSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[NH2+]C[C@@H](C)C[N@@H+](C)Cc1cccc(C)c1 ZINC000052345962 169261674 /nfs/dbraw/zinc/26/16/74/169261674.db2.gz NJYZDOVTXHDABR-OAHLLOKOSA-N 2 1 248.414 3.063 10 0 BGAEMP CCC[NH2+]C[C@H](C)C[N@@H+](C)Cc1cccc(C)c1 ZINC000052345963 169263409 /nfs/dbraw/zinc/26/34/09/169263409.db2.gz NJYZDOVTXHDABR-HNNXBMFYSA-N 2 1 248.414 3.063 10 0 BGAEMP CCC[NH2+]CCCC[N@@H+](C)CC1CCCCC1 ZINC000052346671 169256679 /nfs/dbraw/zinc/25/66/79/169256679.db2.gz SFADQUJIGHSWRE-UHFFFAOYSA-N 2 1 240.435 3.278 10 0 BGAEMP CC(C)[NH2+]C[C@@H](C)C[N@@H+](C)CC1CCCCC1 ZINC000052346711 167111263 /nfs/dbraw/zinc/11/12/63/167111263.db2.gz VDSYPNLIIWWASU-CQSZACIVSA-N 2 1 240.435 3.133 10 0 BGAEMP CC(C)[NH2+]C[C@H](C)C[N@@H+](C)CC1CCCCC1 ZINC000052346712 167112604 /nfs/dbraw/zinc/11/26/04/167112604.db2.gz VDSYPNLIIWWASU-AWEZNQCLSA-N 2 1 240.435 3.133 10 0 BGAEMP CC(C)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000052373204 167003405 /nfs/dbraw/zinc/00/34/05/167003405.db2.gz NVUVWLJABRESAE-HUUCEWRRSA-N 2 1 240.435 3.133 10 0 BGAEMP CC(C)C[NH2+]CCCC[N@H+]1CCC[C@H](C)[C@H]1C ZINC000052373205 167002456 /nfs/dbraw/zinc/00/24/56/167002456.db2.gz NVUVWLJABRESAE-LSDHHAIUSA-N 2 1 240.435 3.133 10 0 BGAEMP C[C@@H]1CCC[N@@H+](CCCCC[NH2+]C2CC2)[C@@H]1C ZINC000052373432 176098186 /nfs/dbraw/zinc/09/81/86/176098186.db2.gz KYVUNUCBQRQALR-ZIAGYGMSSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCCCC[NH2+]C1CC1 ZINC000052373433 177098484 /nfs/dbraw/zinc/09/84/84/177098484.db2.gz KYVUNUCBQRQALR-UONOGXRCSA-N 2 1 238.419 3.029 10 0 BGAEMP CCCC1CC[NH+]([C@H](CC)C[NH2+]C(C)C)CC1 ZINC000052373826 168607390 /nfs/dbraw/zinc/60/73/90/168607390.db2.gz IBWPSJOQHUZONT-OAHLLOKOSA-N 2 1 240.435 3.275 10 0 BGAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@H]2CC)c1 ZINC000052374924 170128645 /nfs/dbraw/zinc/12/86/45/170128645.db2.gz GFUMWYSDFRJJDR-MRXNPFEDSA-N 2 1 246.398 3.171 10 0 BGAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H]2CC)c1 ZINC000052374926 170128435 /nfs/dbraw/zinc/12/84/35/170128435.db2.gz GFUMWYSDFRJJDR-INIZCTEOSA-N 2 1 246.398 3.171 10 0 BGAEMP CC[NH2+]C[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1CC ZINC000052375415 170120311 /nfs/dbraw/zinc/12/03/11/170120311.db2.gz WCEHFYSLXZACTO-CVEARBPZSA-N 2 1 246.398 3.212 10 0 BGAEMP CC[NH2+]C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CC ZINC000052375415 170120309 /nfs/dbraw/zinc/12/03/09/170120309.db2.gz WCEHFYSLXZACTO-CVEARBPZSA-N 2 1 246.398 3.212 10 0 BGAEMP CC[NH2+]C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CC ZINC000052375416 170120420 /nfs/dbraw/zinc/12/04/20/170120420.db2.gz WCEHFYSLXZACTO-HOTGVXAUSA-N 2 1 246.398 3.212 10 0 BGAEMP CC[NH2+]C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CC ZINC000052375416 170120419 /nfs/dbraw/zinc/12/04/19/170120419.db2.gz WCEHFYSLXZACTO-HOTGVXAUSA-N 2 1 246.398 3.212 10 0 BGAEMP CCC[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H]2C)c1 ZINC000052375663 169268422 /nfs/dbraw/zinc/26/84/22/169268422.db2.gz LCHSWWPZAORNSW-AWEZNQCLSA-N 2 1 246.398 3.171 10 0 BGAEMP CCC[NH2+]Cc1cccc(C[N@H+]2CCC[C@H]2C)c1 ZINC000052375664 169268332 /nfs/dbraw/zinc/26/83/32/169268332.db2.gz LCHSWWPZAORNSW-CQSZACIVSA-N 2 1 246.398 3.171 10 0 BGAEMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H]2C)cc1 ZINC000052376060 167119743 /nfs/dbraw/zinc/11/97/43/167119743.db2.gz OANGVGQCBHUHMH-CQSZACIVSA-N 2 1 246.398 3.169 10 0 BGAEMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H]2C)cc1 ZINC000052376062 167119838 /nfs/dbraw/zinc/11/98/38/167119838.db2.gz OANGVGQCBHUHMH-AWEZNQCLSA-N 2 1 246.398 3.169 10 0 BGAEMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1C ZINC000052376142 167121079 /nfs/dbraw/zinc/12/10/79/167121079.db2.gz CTVSFLSBEPLVQV-CQSZACIVSA-N 2 1 246.398 3.169 10 0 BGAEMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1C ZINC000052376143 167120133 /nfs/dbraw/zinc/12/01/33/167120133.db2.gz CTVSFLSBEPLVQV-AWEZNQCLSA-N 2 1 246.398 3.169 10 0 BGAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+]1CCCC[C@@H]1C ZINC000052378948 177078555 /nfs/dbraw/zinc/07/85/55/177078555.db2.gz WIMNUWNIJQIDQW-KBPBESRZSA-N 2 1 240.435 3.418 10 0 BGAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000052381502 177104426 /nfs/dbraw/zinc/10/44/26/177104426.db2.gz ASWXFVUWMPPCER-KBPBESRZSA-N 2 1 240.435 3.275 10 0 BGAEMP CC[NH2+]C[C@H](CC)[N@@H+](Cc1ccccc1)C(C)C ZINC000052417162 170121931 /nfs/dbraw/zinc/12/19/31/170121931.db2.gz NLILWODNMFTONH-INIZCTEOSA-N 2 1 248.414 3.285 10 0 BGAEMP CC[NH2+]C[C@H](CC)[N@H+](Cc1ccccc1)C(C)C ZINC000052417162 170121929 /nfs/dbraw/zinc/12/19/29/170121929.db2.gz NLILWODNMFTONH-INIZCTEOSA-N 2 1 248.414 3.285 10 0 BGAEMP CC[NH2+]C[C@@H](CC)[N@@H+](Cc1ccccc1)C(C)C ZINC000052417163 170119090 /nfs/dbraw/zinc/11/90/90/170119090.db2.gz NLILWODNMFTONH-MRXNPFEDSA-N 2 1 248.414 3.285 10 0 BGAEMP CC[NH2+]C[C@@H](CC)[N@H+](Cc1ccccc1)C(C)C ZINC000052417163 170119088 /nfs/dbraw/zinc/11/90/88/170119088.db2.gz NLILWODNMFTONH-MRXNPFEDSA-N 2 1 248.414 3.285 10 0 BGAEMP CC(C)C[NH2+]CCCC[N@@H+](C)Cc1ccccc1 ZINC000052417384 167002749 /nfs/dbraw/zinc/00/27/49/167002749.db2.gz AWPGHQWIINBBEA-UHFFFAOYSA-N 2 1 248.414 3.144 10 0 BGAEMP CC(C)C[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000052417425 167005307 /nfs/dbraw/zinc/00/53/07/167005307.db2.gz MYRMQDQTMNIOHL-OAHLLOKOSA-N 2 1 248.414 3.000 10 0 BGAEMP CC(C)C[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000052417426 167006305 /nfs/dbraw/zinc/00/63/05/167006305.db2.gz MYRMQDQTMNIOHL-HNNXBMFYSA-N 2 1 248.414 3.000 10 0 BGAEMP CC(C)[NH2+]CCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000052417502 167101550 /nfs/dbraw/zinc/10/15/50/167101550.db2.gz RKVKMKKCTBLNMT-OAHLLOKOSA-N 2 1 248.414 3.285 10 0 BGAEMP CC(C)[NH2+]CCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000052417503 167103017 /nfs/dbraw/zinc/10/30/17/167103017.db2.gz RKVKMKKCTBLNMT-HNNXBMFYSA-N 2 1 248.414 3.285 10 0 BGAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](C)C1CCCCC1 ZINC000052419355 169257266 /nfs/dbraw/zinc/25/72/66/169257266.db2.gz HDBIDRSORNALIC-CQSZACIVSA-N 2 1 240.435 3.419 10 0 BGAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](C)C1CCCCC1 ZINC000052419356 169257965 /nfs/dbraw/zinc/25/79/65/169257965.db2.gz HDBIDRSORNALIC-AWEZNQCLSA-N 2 1 240.435 3.419 10 0 BGAEMP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)C1CCCCC1 ZINC000052419443 167005442 /nfs/dbraw/zinc/00/54/42/167005442.db2.gz FXTMDYJVKUNYAF-CQSZACIVSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000052419532 169267512 /nfs/dbraw/zinc/26/75/12/169267512.db2.gz OMOFJEFIWYNSRU-UHFFFAOYSA-N 2 1 234.387 3.026 10 0 BGAEMP CC(C)[N@@H+](C)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052419630 187270853 /nfs/dbraw/zinc/27/08/53/187270853.db2.gz ULJOITXJPYXKLC-UHFFFAOYSA-N 2 1 238.375 3.008 10 0 BGAEMP CCC[NH2+]Cc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000052419659 169267397 /nfs/dbraw/zinc/26/73/97/169267397.db2.gz QBQFZMOGGWBMAY-UHFFFAOYSA-N 2 1 234.387 3.026 10 0 BGAEMP CC(C)C[NH2+]Cc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000052419663 167008659 /nfs/dbraw/zinc/00/86/59/167008659.db2.gz ASCSYYKBJAHJFE-UHFFFAOYSA-N 2 1 248.414 3.272 10 0 BGAEMP CCC[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000052419698 169268485 /nfs/dbraw/zinc/26/84/85/169268485.db2.gz SVSUBBKOTCMQDX-UHFFFAOYSA-N 2 1 234.387 3.026 10 0 BGAEMP CCC[NH2+]CCCC[N@@H+](CC)C1CCCCC1 ZINC000052419985 169256984 /nfs/dbraw/zinc/25/69/84/169256984.db2.gz ZRVJQMMIFSHAJG-UHFFFAOYSA-N 2 1 240.435 3.421 10 0 BGAEMP CC[NH2+]CCCCC[N@@H+](CC)C1CCCCC1 ZINC000052420120 170111843 /nfs/dbraw/zinc/11/18/43/170111843.db2.gz IFDQVDUJCOETKV-UHFFFAOYSA-N 2 1 240.435 3.421 10 0 BGAEMP CCC[NH2+]CC[C@@H](C)[N@@H+](CC)C1CCCCC1 ZINC000052420169 169260189 /nfs/dbraw/zinc/26/01/89/169260189.db2.gz XWOYNIPEBIQQTM-CQSZACIVSA-N 2 1 240.435 3.419 10 0 BGAEMP CCC[NH2+]CC[C@H](C)[N@@H+](CC)C1CCCCC1 ZINC000052420170 169260969 /nfs/dbraw/zinc/26/09/69/169260969.db2.gz XWOYNIPEBIQQTM-AWEZNQCLSA-N 2 1 240.435 3.419 10 0 BGAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C(C)(C)C)C1 ZINC000052420458 177313848 /nfs/dbraw/zinc/31/38/48/177313848.db2.gz FYCHYOXHMQCDHP-OKILXGFUSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420788 169256839 /nfs/dbraw/zinc/25/68/39/169256839.db2.gz PVQCSNLOGHQEMQ-QLFBSQMISA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+]CCC[C@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420789 169258618 /nfs/dbraw/zinc/25/86/18/169258618.db2.gz PVQCSNLOGHQEMQ-ZNMIVQPWSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000052424589 169261792 /nfs/dbraw/zinc/26/17/92/169261792.db2.gz TYKCDIFDWVMUSE-OAHLLOKOSA-N 2 1 248.414 3.063 10 0 BGAEMP CCC[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000052424590 169263953 /nfs/dbraw/zinc/26/39/53/169263953.db2.gz TYKCDIFDWVMUSE-HNNXBMFYSA-N 2 1 248.414 3.063 10 0 BGAEMP CC[C@H](C)[N@@H+](C)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000052444027 171308599 /nfs/dbraw/zinc/30/85/99/171308599.db2.gz YFVPRPLWYNPFOV-AWEZNQCLSA-N 2 1 248.414 3.415 10 0 BGAEMP CC[C@H](C)[N@@H+](C)Cc1c2ccccc2oc1C[NH3+] ZINC000052444091 171308535 /nfs/dbraw/zinc/30/85/35/171308535.db2.gz ANWXMAIJVONWQL-NSHDSACASA-N 2 1 246.354 3.122 10 0 BGAEMP CCC[NH2+]Cc1coc(C[N@@H+](C)[C@@H](C)CC)c1 ZINC000052444206 169270024 /nfs/dbraw/zinc/27/00/24/169270024.db2.gz GFIPYGBKBZBMIK-LBPRGKRZSA-N 2 1 238.375 3.010 10 0 BGAEMP CCC[NH2+]Cc1coc(C[N@@H+](C)[C@H](C)CC)c1 ZINC000052444207 169269523 /nfs/dbraw/zinc/26/95/23/169269523.db2.gz GFIPYGBKBZBMIK-GFCCVEGCSA-N 2 1 238.375 3.010 10 0 BGAEMP CC[C@H](C)[N@@H+](C)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000052444259 171308551 /nfs/dbraw/zinc/30/85/51/171308551.db2.gz GIINIUOQAZHNRW-AWEZNQCLSA-N 2 1 248.414 3.415 10 0 BGAEMP CC[C@H](C)[N@@H+](C)Cc1ccccc1C[NH2+]C(C)C ZINC000052444305 171307420 /nfs/dbraw/zinc/30/74/20/171307420.db2.gz NSOWYMQXDJXEKE-AWEZNQCLSA-N 2 1 248.414 3.415 10 0 BGAEMP CCC[N@@H+](C)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000052444440 169080222 /nfs/dbraw/zinc/08/02/22/169080222.db2.gz JUCGWJWMYJPJBL-UHFFFAOYSA-N 2 1 234.387 3.026 10 0 BGAEMP CCC[NH2+]Cc1ccc(C[N@@H+](C)CCC)cc1 ZINC000052444567 169266852 /nfs/dbraw/zinc/26/68/52/169266852.db2.gz KQVBSDOAZWXDKX-UHFFFAOYSA-N 2 1 234.387 3.028 10 0 BGAEMP CC[NH2+]Cc1cccc(C[N@@H+](C)C2CCCC2)c1 ZINC000052444713 170128212 /nfs/dbraw/zinc/12/82/12/170128212.db2.gz PKYLJZZTRKFFHX-UHFFFAOYSA-N 2 1 246.398 3.171 10 0 BGAEMP CCC[NH2+]Cc1occc1C[N@@H+](CC)C(C)C ZINC000052446760 169269765 /nfs/dbraw/zinc/26/97/65/169269765.db2.gz ZFCRQLMQPVDXTJ-UHFFFAOYSA-N 2 1 238.375 3.010 10 0 BGAEMP CCC[NH2+]CCC[C@@H](C)[N@H+]1CCCC[C@@H]1CC ZINC000052447723 169257205 /nfs/dbraw/zinc/25/72/05/169257205.db2.gz RAYOFHVGMOVSQQ-CABCVRRESA-N 2 1 240.435 3.419 10 0 BGAEMP CCC[NH2+]CCC[C@H](C)[N@H+]1CCCC[C@@H]1CC ZINC000052447726 169258313 /nfs/dbraw/zinc/25/83/13/169258313.db2.gz RAYOFHVGMOVSQQ-GJZGRUSLSA-N 2 1 240.435 3.419 10 0 BGAEMP CCC[N@@H+](CC)Cc1cccc(C[NH2+]CC)c1 ZINC000052448212 169129173 /nfs/dbraw/zinc/12/91/73/169129173.db2.gz JTHMSRAMEOPAOP-UHFFFAOYSA-N 2 1 234.387 3.028 10 0 BGAEMP CCC[N@@H+](CC)Cc1occc1C[NH2+]C(C)C ZINC000052448238 169131312 /nfs/dbraw/zinc/13/13/12/169131312.db2.gz HROSBOTVDBFAJU-UHFFFAOYSA-N 2 1 238.375 3.010 10 0 BGAEMP CCC[NH2+]Cc1ccc(C[N@@H+](CC)CCC)o1 ZINC000052448267 169266788 /nfs/dbraw/zinc/26/67/88/169266788.db2.gz XNGLOQMHYSRLNQ-UHFFFAOYSA-N 2 1 238.375 3.011 10 0 BGAEMP CCC[N@@H+](CC)Cc1ccoc1C[NH2+]C(C)C ZINC000052448309 169129522 /nfs/dbraw/zinc/12/95/22/169129522.db2.gz XTTHGKSXEDMGIP-UHFFFAOYSA-N 2 1 238.375 3.010 10 0 BGAEMP CCC[N@@H+](CC)Cc1ccc(C[NH2+]CC)cc1 ZINC000052448514 169129652 /nfs/dbraw/zinc/12/96/52/169129652.db2.gz PZLMXRWEGVPRJE-UHFFFAOYSA-N 2 1 234.387 3.028 10 0 BGAEMP CCC[N@@H+](CC)Cc1ccccc1C[NH2+]C1CC1 ZINC000052448598 169129887 /nfs/dbraw/zinc/12/98/87/169129887.db2.gz CVBWLZLULFLDAO-UHFFFAOYSA-N 2 1 246.398 3.171 10 0 BGAEMP CCC[N@@H+]([C@@H](C)CCC[NH2+]CC(C)C)C1CC1 ZINC000052449169 169089557 /nfs/dbraw/zinc/08/95/57/169089557.db2.gz IIWMJSVHAIVDJP-AWEZNQCLSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[N@@H+]([C@H](C)CCC[NH2+]CC(C)C)C1CC1 ZINC000052449171 169091586 /nfs/dbraw/zinc/09/15/86/169091586.db2.gz IIWMJSVHAIVDJP-CQSZACIVSA-N 2 1 240.435 3.275 10 0 BGAEMP CC[NH2+]Cc1cccc(C[N@@H+](CC)CC(C)C)c1 ZINC000052449561 170128611 /nfs/dbraw/zinc/12/86/11/170128611.db2.gz RCCAAJFEYBDZOV-UHFFFAOYSA-N 2 1 248.414 3.274 10 0 BGAEMP CC[NH2+]C[C@@H](c1ccccc1)[N@@H+](CC)CC(C)C ZINC000052449958 170119785 /nfs/dbraw/zinc/11/97/85/170119785.db2.gz ATNDVFZLGZTQQF-INIZCTEOSA-N 2 1 248.414 3.315 10 0 BGAEMP CC[NH2+]C[C@@H](c1ccccc1)[N@H+](CC)CC(C)C ZINC000052449958 170119783 /nfs/dbraw/zinc/11/97/83/170119783.db2.gz ATNDVFZLGZTQQF-INIZCTEOSA-N 2 1 248.414 3.315 10 0 BGAEMP CC[NH2+]C[C@H](c1ccccc1)[N@@H+](CC)CC(C)C ZINC000052449960 170122444 /nfs/dbraw/zinc/12/24/44/170122444.db2.gz ATNDVFZLGZTQQF-MRXNPFEDSA-N 2 1 248.414 3.315 10 0 BGAEMP CC[NH2+]C[C@H](c1ccccc1)[N@H+](CC)CC(C)C ZINC000052449960 170122443 /nfs/dbraw/zinc/12/24/43/170122443.db2.gz ATNDVFZLGZTQQF-MRXNPFEDSA-N 2 1 248.414 3.315 10 0 BGAEMP CCC[N@@H+](Cc1ccc(C[NH2+]CC)o1)C(C)C ZINC000052450288 169175839 /nfs/dbraw/zinc/17/58/39/169175839.db2.gz HEBCSJMERQKHNF-UHFFFAOYSA-N 2 1 238.375 3.010 10 0 BGAEMP CC[NH2+]Cc1cccc(C[N@@H+](CC)[C@H](C)CC)c1 ZINC000052450927 170128490 /nfs/dbraw/zinc/12/84/90/170128490.db2.gz GJNPIGJFFSANKI-CQSZACIVSA-N 2 1 248.414 3.417 10 0 BGAEMP CC[NH2+]Cc1cccc(C[N@@H+](CC)[C@@H](C)CC)c1 ZINC000052450930 170128423 /nfs/dbraw/zinc/12/84/23/170128423.db2.gz GJNPIGJFFSANKI-AWEZNQCLSA-N 2 1 248.414 3.417 10 0 BGAEMP CC[NH2+]Cc1occc1C[N@@H+](CC)[C@H](C)CC ZINC000052451103 170133016 /nfs/dbraw/zinc/13/30/16/170133016.db2.gz NIZTUJZNKLPZJE-GFCCVEGCSA-N 2 1 238.375 3.010 10 0 BGAEMP CC[NH2+]Cc1occc1C[N@@H+](CC)[C@@H](C)CC ZINC000052451105 170132644 /nfs/dbraw/zinc/13/26/44/170132644.db2.gz NIZTUJZNKLPZJE-LBPRGKRZSA-N 2 1 238.375 3.010 10 0 BGAEMP CC[NH2+]Cc1coc(C[N@@H+](CC)[C@H](C)CC)c1 ZINC000052451324 170130572 /nfs/dbraw/zinc/13/05/72/170130572.db2.gz LXVYGDPTUVOPQJ-GFCCVEGCSA-N 2 1 238.375 3.010 10 0 BGAEMP CC[NH2+]Cc1coc(C[N@@H+](CC)[C@@H](C)CC)c1 ZINC000052451328 170130648 /nfs/dbraw/zinc/13/06/48/170130648.db2.gz LXVYGDPTUVOPQJ-LBPRGKRZSA-N 2 1 238.375 3.010 10 0 BGAEMP CC[C@H](C)[N@@H+](CC)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052451575 171312296 /nfs/dbraw/zinc/31/22/96/171312296.db2.gz VUVJLDYSRPYGMC-ZFWWWQNUSA-N 2 1 234.387 3.068 10 0 BGAEMP CC[C@H](C)[N@H+](CC)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052451575 171312294 /nfs/dbraw/zinc/31/22/94/171312294.db2.gz VUVJLDYSRPYGMC-ZFWWWQNUSA-N 2 1 234.387 3.068 10 0 BGAEMP CCC[NH2+]Cc1ccccc1C[N@@H+](C)CC(C)C ZINC000052452859 169268257 /nfs/dbraw/zinc/26/82/57/169268257.db2.gz MGBJGZARHPBRCU-UHFFFAOYSA-N 2 1 248.414 3.274 10 0 BGAEMP CC[C@H](C)C[N@@H+](C)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052454289 171275078 /nfs/dbraw/zinc/27/50/78/171275078.db2.gz ULNNHYQPDDAPPR-GJZGRUSLSA-N 2 1 242.451 3.379 10 0 BGAEMP CC[NH2+]Cc1ccoc1C[N@@H+](C)C(CC)CC ZINC000052478030 170129695 /nfs/dbraw/zinc/12/96/95/170129695.db2.gz CYSCESLDFPYCAB-UHFFFAOYSA-N 2 1 238.375 3.010 10 0 BGAEMP CCC(CC)[N@@H+](C)Cc1ccccc1C[NH2+]C ZINC000052478237 168368870 /nfs/dbraw/zinc/36/88/70/168368870.db2.gz VURSMCFUGIGXPT-UHFFFAOYSA-N 2 1 234.387 3.026 10 0 BGAEMP CC[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)C(CC)CC ZINC000052478253 170120427 /nfs/dbraw/zinc/12/04/27/170120427.db2.gz CTUFOLROYBCGCH-INIZCTEOSA-N 2 1 248.414 3.458 10 0 BGAEMP CC[NH2+]C[C@@H](c1ccccc1)[N@H+](C)C(CC)CC ZINC000052478253 170120426 /nfs/dbraw/zinc/12/04/26/170120426.db2.gz CTUFOLROYBCGCH-INIZCTEOSA-N 2 1 248.414 3.458 10 0 BGAEMP CC[NH2+]C[C@H](c1ccccc1)[N@@H+](C)C(CC)CC ZINC000052478254 170122997 /nfs/dbraw/zinc/12/29/97/170122997.db2.gz CTUFOLROYBCGCH-MRXNPFEDSA-N 2 1 248.414 3.458 10 0 BGAEMP CC[NH2+]C[C@H](c1ccccc1)[N@H+](C)C(CC)CC ZINC000052478254 170122995 /nfs/dbraw/zinc/12/29/95/170122995.db2.gz CTUFOLROYBCGCH-MRXNPFEDSA-N 2 1 248.414 3.458 10 0 BGAEMP CC[NH2+]Cc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1 ZINC000052478605 170126943 /nfs/dbraw/zinc/12/69/43/170126943.db2.gz QZMJBHNWKHQFLP-AWEZNQCLSA-N 2 1 248.414 3.272 10 0 BGAEMP CC[NH2+]Cc1ccc(C[N@@H+](C)[C@H](C)C(C)C)cc1 ZINC000052478606 170126580 /nfs/dbraw/zinc/12/65/80/170126580.db2.gz QZMJBHNWKHQFLP-CQSZACIVSA-N 2 1 248.414 3.272 10 0 BGAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000052478653 170127967 /nfs/dbraw/zinc/12/79/67/170127967.db2.gz JYKCLRKLHIAEEO-AWEZNQCLSA-N 2 1 248.414 3.272 10 0 BGAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)[C@H](C)C(C)C ZINC000052478654 170128639 /nfs/dbraw/zinc/12/86/39/170128639.db2.gz JYKCLRKLHIAEEO-CQSZACIVSA-N 2 1 248.414 3.272 10 0 BGAEMP CC(C)C[NH2+]CCCCC[N@@H+](C)[C@@H](C)C1CC1 ZINC000052479236 167003788 /nfs/dbraw/zinc/00/37/88/167003788.db2.gz WOQKMHMIORTXLD-AWEZNQCLSA-N 2 1 240.435 3.133 10 0 BGAEMP CC(C)C[NH2+]CCCCC[N@@H+](C)[C@H](C)C1CC1 ZINC000052479237 167003258 /nfs/dbraw/zinc/00/32/58/167003258.db2.gz WOQKMHMIORTXLD-CQSZACIVSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+]Cc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)cc1 ZINC000052479240 170126333 /nfs/dbraw/zinc/12/63/33/170126333.db2.gz CQARBSNXFBLWJI-ZDUSSCGKSA-N 2 1 246.398 3.026 10 0 BGAEMP CC[NH2+]Cc1ccc(C[N@@H+](C)[C@H](C)C2CC2)cc1 ZINC000052479241 170126996 /nfs/dbraw/zinc/12/69/96/170126996.db2.gz CQARBSNXFBLWJI-CYBMUJFWSA-N 2 1 246.398 3.026 10 0 BGAEMP CC[C@@H]1CCC[N@@H+](CCCC[NH2+]C(C)(C)C)C1 ZINC000052479607 170974689 /nfs/dbraw/zinc/97/46/89/170974689.db2.gz OEIXBBZBSYKXBQ-CQSZACIVSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]CCC[C@@H](C)[N@H+]1CCC[C@H](CC)C1 ZINC000052479821 169256698 /nfs/dbraw/zinc/25/66/98/169256698.db2.gz TXHWYXSCRWRKOP-CABCVRRESA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]CCC[C@H](C)[N@H+]1CCC[C@H](CC)C1 ZINC000052479822 169257944 /nfs/dbraw/zinc/25/79/44/169257944.db2.gz TXHWYXSCRWRKOP-GJZGRUSLSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[C@@H](C)[N@@H+](C)Cc1cccc(C[NH2+]CC)c1 ZINC000052480530 169364860 /nfs/dbraw/zinc/36/48/60/169364860.db2.gz DCCYUAZJOCRFGE-CQSZACIVSA-N 2 1 248.414 3.417 10 0 BGAEMP CCC[C@@H](C)[N@@H+](C)Cc1ccoc1C[NH2+]CC ZINC000052480602 169365828 /nfs/dbraw/zinc/36/58/28/169365828.db2.gz AIRYLGURROHNAO-GFCCVEGCSA-N 2 1 238.375 3.010 10 0 BGAEMP CCC[C@@H](C)[N@@H+](C)Cc1cc(C[NH2+]CC)co1 ZINC000052480694 169365091 /nfs/dbraw/zinc/36/50/91/169365091.db2.gz PGXAXVVCXKUOIK-GFCCVEGCSA-N 2 1 238.375 3.010 10 0 BGAEMP CCC[C@@H](C)[N@@H+](C)Cc1ccccc1C[NH2+]C ZINC000052480780 169365669 /nfs/dbraw/zinc/36/56/69/169365669.db2.gz OMOPENMYNRXBSC-CYBMUJFWSA-N 2 1 234.387 3.026 10 0 BGAEMP CCC[NH2+]C[C@@H](C)C[N@@H+](C)C1CCCCCC1 ZINC000052482005 169261773 /nfs/dbraw/zinc/26/17/73/169261773.db2.gz JZRPWFKBOUGDKX-CQSZACIVSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]C[C@H](C)C[N@@H+](C)C1CCCCCC1 ZINC000052482006 169263929 /nfs/dbraw/zinc/26/39/29/169263929.db2.gz JZRPWFKBOUGDKX-AWEZNQCLSA-N 2 1 240.435 3.277 10 0 BGAEMP CC[NH2+]CCC[C@@H](C)[N@@H+](C)C1CCCCCC1 ZINC000052482089 170112639 /nfs/dbraw/zinc/11/26/39/170112639.db2.gz AXEMGDYQVOQUBG-CQSZACIVSA-N 2 1 240.435 3.419 10 0 BGAEMP CC[NH2+]CCC[C@H](C)[N@@H+](C)C1CCCCCC1 ZINC000052482090 170112664 /nfs/dbraw/zinc/11/26/64/170112664.db2.gz AXEMGDYQVOQUBG-AWEZNQCLSA-N 2 1 240.435 3.419 10 0 BGAEMP C[NH2+]CCCCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482598 173345013 /nfs/dbraw/zinc/34/50/13/173345013.db2.gz ANWOXOGNIHDQRK-CABCVRRESA-N 2 1 238.419 3.031 10 0 BGAEMP C[NH2+]CCCCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000052482599 173344905 /nfs/dbraw/zinc/34/49/05/173344905.db2.gz ANWOXOGNIHDQRK-GJZGRUSLSA-N 2 1 238.419 3.031 10 0 BGAEMP CC(C)[NH2+]Cc1cccc(C[N@@H+](C)CC2CC2)c1 ZINC000052483543 167118710 /nfs/dbraw/zinc/11/87/10/167118710.db2.gz BKJDBBQZGDJBCQ-UHFFFAOYSA-N 2 1 246.398 3.026 10 0 BGAEMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](C)C2)cc1 ZINC000052484604 167118774 /nfs/dbraw/zinc/11/87/74/167118774.db2.gz HMOUHUUNAIQWTP-CQSZACIVSA-N 2 1 246.398 3.026 10 0 BGAEMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](C)C2)cc1 ZINC000052484606 167118942 /nfs/dbraw/zinc/11/89/42/167118942.db2.gz HMOUHUUNAIQWTP-AWEZNQCLSA-N 2 1 246.398 3.026 10 0 BGAEMP CC(C)[NH2+]CCCCC[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000052510238 167102968 /nfs/dbraw/zinc/10/29/68/167102968.db2.gz FPAWBQFNMYKDJP-HUUCEWRRSA-N 2 1 240.435 3.275 10 0 BGAEMP CC(C)[NH2+]CCCCC[N@H+]1CC[C@H](C)C[C@H]1C ZINC000052510241 167103009 /nfs/dbraw/zinc/10/30/09/167103009.db2.gz FPAWBQFNMYKDJP-LSDHHAIUSA-N 2 1 240.435 3.275 10 0 BGAEMP CCCC[N@@H+](CCCC[NH2+]CC(C)C)C1CC1 ZINC000052512320 168809666 /nfs/dbraw/zinc/80/96/66/168809666.db2.gz DOYRIIRURQNOTN-UHFFFAOYSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]CCCC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000052513295 169256925 /nfs/dbraw/zinc/25/69/25/169256925.db2.gz UTDUJPHVCUEWLP-LSDHHAIUSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]CCCC[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000052513297 169256846 /nfs/dbraw/zinc/25/68/46/169256846.db2.gz UTDUJPHVCUEWLP-GJZGRUSLSA-N 2 1 240.435 3.277 10 0 BGAEMP CC(C)[NH2+]C[C@H](C)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000052513427 167113569 /nfs/dbraw/zinc/11/35/69/167113569.db2.gz QSZAOTDQQUQNFG-ILXRZTDVSA-N 2 1 240.435 3.131 10 0 BGAEMP CC(C)[NH2+]C[C@H](C)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052513431 167113196 /nfs/dbraw/zinc/11/31/96/167113196.db2.gz QSZAOTDQQUQNFG-QLFBSQMISA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[N@@H+](CCCCC[NH2+]C1CC1)CC1CC1 ZINC000052514639 169154028 /nfs/dbraw/zinc/15/40/28/169154028.db2.gz XPUVLVZECCUUKJ-UHFFFAOYSA-N 2 1 238.419 3.031 10 0 BGAEMP CCC[N@@H+](CC1CC1)[C@@H](C)CC[NH2+]CC(C)C ZINC000052514768 169138511 /nfs/dbraw/zinc/13/85/11/169138511.db2.gz WKNOXPZASLJWLE-AWEZNQCLSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[N@@H+](CC1CC1)[C@H](C)CC[NH2+]CC(C)C ZINC000052514770 169138683 /nfs/dbraw/zinc/13/86/83/169138683.db2.gz WKNOXPZASLJWLE-CQSZACIVSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](CC(C)C)C1CC1 ZINC000052515827 169257409 /nfs/dbraw/zinc/25/74/09/169257409.db2.gz JUKVKFSIGGGFGA-CQSZACIVSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](CC(C)C)C1CC1 ZINC000052515829 169258059 /nfs/dbraw/zinc/25/80/59/169258059.db2.gz JUKVKFSIGGGFGA-AWEZNQCLSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517399 169261143 /nfs/dbraw/zinc/26/11/43/169261143.db2.gz CQAFBFMEMMGFSZ-UKRRQHHQSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+]C[C@H](C)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517401 169263200 /nfs/dbraw/zinc/26/32/00/169263200.db2.gz CQAFBFMEMMGFSZ-DZGCQCFKSA-N 2 1 238.419 3.029 10 0 BGAEMP C[NH2+]CCCCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517716 173345289 /nfs/dbraw/zinc/34/52/89/173345289.db2.gz KIZUKMGGGBIEII-OAHLLOKOSA-N 2 1 238.419 3.031 10 0 BGAEMP C[NH2+]CCCCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000052517718 173345550 /nfs/dbraw/zinc/34/55/50/173345550.db2.gz KIZUKMGGGBIEII-HNNXBMFYSA-N 2 1 238.419 3.031 10 0 BGAEMP C[C@@H](CC[NH2+]C1CC1)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546972 177087134 /nfs/dbraw/zinc/08/71/34/177087134.db2.gz FMTMTECHOLVIGN-KCQAQPDRSA-N 2 1 238.419 3.028 10 0 BGAEMP Cc1ccccc1C[N@H+](C)C[C@@H](C)C[NH2+]C(C)C ZINC000052547049 179270805 /nfs/dbraw/zinc/27/08/05/179270805.db2.gz WHJKCVDBZGPJKS-AWEZNQCLSA-N 2 1 248.414 3.061 10 0 BGAEMP Cc1ccccc1C[N@H+](C)C[C@H](C)C[NH2+]C(C)C ZINC000052547050 179270379 /nfs/dbraw/zinc/27/03/79/179270379.db2.gz WHJKCVDBZGPJKS-CQSZACIVSA-N 2 1 248.414 3.061 10 0 BGAEMP CC[NH2+]Cc1cccc(C[N@@H+](C)CC(C)(C)C)c1 ZINC000052570055 170128402 /nfs/dbraw/zinc/12/84/02/170128402.db2.gz LFUHGHCEXCNLLJ-UHFFFAOYSA-N 2 1 248.414 3.274 10 0 BGAEMP CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571980 188126103 /nfs/dbraw/zinc/12/61/03/188126103.db2.gz YXNDVMJHCHDSBI-UONOGXRCSA-N 2 1 240.435 3.274 10 0 BGAEMP C[NH2+]Cc1ccc(C[N@@H+](C)[C@@H](C)CC(C)C)cc1 ZINC000052572018 188126528 /nfs/dbraw/zinc/12/65/28/188126528.db2.gz TUEHEMWMDLQQNQ-AWEZNQCLSA-N 2 1 248.414 3.272 10 0 BGAEMP C[NH2+]Cc1ccccc1C[N@@H+](CC(C)C)C(C)C ZINC000052572677 173390615 /nfs/dbraw/zinc/39/06/15/173390615.db2.gz LQIOGKXTILEWIG-UHFFFAOYSA-N 2 1 248.414 3.272 10 0 BGAEMP CCc1[nH+]ccn1[C@@H](C)CCC[NH2+]C(C)(C)C ZINC000052593110 172028757 /nfs/dbraw/zinc/02/87/57/172028757.db2.gz ZGGQENLECZMMFE-LBPRGKRZSA-N 2 1 237.391 3.175 10 0 BGAEMP CCc1[nH+]ccn1[C@H](C)CCC[NH2+]C(C)(C)C ZINC000052593112 172028842 /nfs/dbraw/zinc/02/88/42/172028842.db2.gz ZGGQENLECZMMFE-GFCCVEGCSA-N 2 1 237.391 3.175 10 0 BGAEMP CCc1[nH+]ccn1[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052593351 172029792 /nfs/dbraw/zinc/02/97/92/172029792.db2.gz NTRMNLHVAOIWGI-LBPRGKRZSA-N 2 1 237.391 3.031 10 0 BGAEMP CCc1[nH+]ccn1[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052593354 172029023 /nfs/dbraw/zinc/02/90/23/172029023.db2.gz NTRMNLHVAOIWGI-GFCCVEGCSA-N 2 1 237.391 3.031 10 0 BGAEMP Cc1[nH+]cn([C@@H](C)CCC[NH2+]C(C)(C)C)c1C ZINC000052593644 180289904 /nfs/dbraw/zinc/28/99/04/180289904.db2.gz ZPXGFDREMIPXBG-NSHDSACASA-N 2 1 237.391 3.229 10 0 BGAEMP Cc1[nH+]cn([C@H](C)CCC[NH2+]C(C)(C)C)c1C ZINC000052593646 180288971 /nfs/dbraw/zinc/28/89/71/180288971.db2.gz ZPXGFDREMIPXBG-LLVKDONJSA-N 2 1 237.391 3.229 10 0 BGAEMP Cc1[nH+]cn([C@@H](C[NH2+]C(C)(C)C)C(C)C)c1C ZINC000052593890 180289090 /nfs/dbraw/zinc/28/90/90/180289090.db2.gz SUSMAIWDDLBBAB-ZDUSSCGKSA-N 2 1 237.391 3.085 10 0 BGAEMP Cc1[nH+]cn([C@H](C[NH2+]C(C)(C)C)C(C)C)c1C ZINC000052593892 180288623 /nfs/dbraw/zinc/28/86/23/180288623.db2.gz SUSMAIWDDLBBAB-CYBMUJFWSA-N 2 1 237.391 3.085 10 0 BGAEMP CC1CCC([N@@H+](C)CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764432 168157597 /nfs/dbraw/zinc/15/75/97/168157597.db2.gz RRMFYCXXYDGDTN-SLTAFYQDSA-N 2 1 238.419 3.029 10 0 BGAEMP CC1CCC([N@@H+](C)CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764433 168157975 /nfs/dbraw/zinc/15/79/75/168157975.db2.gz RRMFYCXXYDGDTN-SHARSMKWSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@]([NH3+])(C[NH2+]C1(C)CCCCC1)c1ccccc1 ZINC000052883638 168062798 /nfs/dbraw/zinc/06/27/98/168062798.db2.gz HDJFUWNCRZZSFE-INIZCTEOSA-N 2 1 246.398 3.173 10 0 BGAEMP C[C@@]([NH3+])(C[NH2+]C1(C)CCCCC1)c1ccccc1 ZINC000052883639 168063261 /nfs/dbraw/zinc/06/32/61/168063261.db2.gz HDJFUWNCRZZSFE-MRXNPFEDSA-N 2 1 246.398 3.173 10 0 BGAEMP CCC[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000053012246 169262101 /nfs/dbraw/zinc/26/21/01/169262101.db2.gz YAEQWCHTKMMQRD-GJZGRUSLSA-N 2 1 246.398 3.069 10 0 BGAEMP CCC[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000053012248 169264621 /nfs/dbraw/zinc/26/46/21/169264621.db2.gz YAEQWCHTKMMQRD-LSDHHAIUSA-N 2 1 246.398 3.069 10 0 BGAEMP CCC[C@@H](CC)[N@H+]1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000053034694 169375670 /nfs/dbraw/zinc/37/56/70/169375670.db2.gz OHPQUHLESODXLZ-HUUCEWRRSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[C@H](CC)[N@H+]1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000053034696 169495949 /nfs/dbraw/zinc/49/59/49/169495949.db2.gz OHPQUHLESODXLZ-CABCVRRESA-N 2 1 240.435 3.133 10 0 BGAEMP CC[C@H](C)[N@@H+](CC)CC[NH2+]C1CCCCCC1 ZINC000053341781 171312497 /nfs/dbraw/zinc/31/24/97/171312497.db2.gz BYIXQRJURUBMDD-AWEZNQCLSA-N 2 1 240.435 3.419 10 0 BGAEMP CC[C@H](C)[N@H+](CC)CC[NH2+]C1CCCCCC1 ZINC000053341781 171312494 /nfs/dbraw/zinc/31/24/94/171312494.db2.gz BYIXQRJURUBMDD-AWEZNQCLSA-N 2 1 240.435 3.419 10 0 BGAEMP CC[C@H](C)[N@@H+](CC)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000053377824 171312719 /nfs/dbraw/zinc/31/27/19/171312719.db2.gz CMNUIKGGBZTGOR-SOUVJXGZSA-N 2 1 240.435 3.275 10 0 BGAEMP CC[C@H](C)[N@H+](CC)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000053377824 171312718 /nfs/dbraw/zinc/31/27/18/171312718.db2.gz CMNUIKGGBZTGOR-SOUVJXGZSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[N@@H+](CC[NH2+][C@@H]1CCCC[C@@H]1C)C(C)C ZINC000053378404 169160338 /nfs/dbraw/zinc/16/03/38/169160338.db2.gz GWWNHHZDKPMPSX-LSDHHAIUSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[N@H+](CC[NH2+][C@@H]1CCCC[C@@H]1C)C(C)C ZINC000053378404 169160336 /nfs/dbraw/zinc/16/03/36/169160336.db2.gz GWWNHHZDKPMPSX-LSDHHAIUSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[N@@H+](CC[NH2+][C@H]1CCCC[C@@H]1C)C(C)C ZINC000053378407 169159768 /nfs/dbraw/zinc/15/97/68/169159768.db2.gz GWWNHHZDKPMPSX-GJZGRUSLSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[N@H+](CC[NH2+][C@H]1CCCC[C@@H]1C)C(C)C ZINC000053378407 169159767 /nfs/dbraw/zinc/15/97/67/169159767.db2.gz GWWNHHZDKPMPSX-GJZGRUSLSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[N@@H+](CC[NH2+]CC1CCCCC1)C(C)C ZINC000053378462 169160194 /nfs/dbraw/zinc/16/01/94/169160194.db2.gz ZXVPNUBPAPDBOY-UHFFFAOYSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[N@H+](CC[NH2+]CC1CCCCC1)C(C)C ZINC000053378462 169160192 /nfs/dbraw/zinc/16/01/92/169160192.db2.gz ZXVPNUBPAPDBOY-UHFFFAOYSA-N 2 1 240.435 3.277 10 0 BGAEMP CC[C@H](C)C[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000053379912 171272946 /nfs/dbraw/zinc/27/29/46/171272946.db2.gz PLLGOBSAGXSSGJ-SOUVJXGZSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[C@H](C)C[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000053379912 171272945 /nfs/dbraw/zinc/27/29/45/171272945.db2.gz PLLGOBSAGXSSGJ-SOUVJXGZSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC(CC)[NH2+]CC[N@@H+](C)C1CCCCCC1 ZINC000053385397 168387611 /nfs/dbraw/zinc/38/76/11/168387611.db2.gz LFYOWJVRRBEVQB-UHFFFAOYSA-N 2 1 240.435 3.419 10 0 BGAEMP CCC(CC)[NH2+]CC[N@H+](C)C1CCCCCC1 ZINC000053385397 168387607 /nfs/dbraw/zinc/38/76/07/168387607.db2.gz LFYOWJVRRBEVQB-UHFFFAOYSA-N 2 1 240.435 3.419 10 0 BGAEMP C[C@@H]1CCC[N@@H+](CC[NH2+]CCC(C)(C)C)[C@@H]1C ZINC000053387049 176097913 /nfs/dbraw/zinc/09/79/13/176097913.db2.gz BELYMXGAMDEFPP-ZIAGYGMSSA-N 2 1 240.435 3.133 10 0 BGAEMP C[C@@H]1CCC[N@H+](CC[NH2+]CCC(C)(C)C)[C@@H]1C ZINC000053387049 176097911 /nfs/dbraw/zinc/09/79/11/176097911.db2.gz BELYMXGAMDEFPP-ZIAGYGMSSA-N 2 1 240.435 3.133 10 0 BGAEMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC[NH2+]CCC(C)(C)C ZINC000053387052 177098756 /nfs/dbraw/zinc/09/87/56/177098756.db2.gz BELYMXGAMDEFPP-UONOGXRCSA-N 2 1 240.435 3.133 10 0 BGAEMP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC[NH2+]CCC(C)(C)C ZINC000053387052 177098754 /nfs/dbraw/zinc/09/87/54/177098754.db2.gz BELYMXGAMDEFPP-UONOGXRCSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC(CC)[NH2+]CC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000053426279 168386826 /nfs/dbraw/zinc/38/68/26/168386826.db2.gz NDBREQGQPORTLA-DZGCQCFKSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(CC)[NH2+]CC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000053426279 168386824 /nfs/dbraw/zinc/38/68/24/168386824.db2.gz NDBREQGQPORTLA-DZGCQCFKSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(CC)[NH2+]CC[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000053426282 168386759 /nfs/dbraw/zinc/38/67/59/168386759.db2.gz NDBREQGQPORTLA-ZFWWWQNUSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(CC)[NH2+]CC[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000053426282 168386756 /nfs/dbraw/zinc/38/67/56/168386756.db2.gz NDBREQGQPORTLA-ZFWWWQNUSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(CC)[NH2+]CC[N@@H+](C)C1CCC(C)CC1 ZINC000053443289 168387299 /nfs/dbraw/zinc/38/72/99/168387299.db2.gz UIXNPYIUONYPHX-UHFFFAOYSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(CC)[NH2+]CC[N@H+](C)C1CCC(C)CC1 ZINC000053443289 168387296 /nfs/dbraw/zinc/38/72/96/168387296.db2.gz UIXNPYIUONYPHX-UHFFFAOYSA-N 2 1 240.435 3.275 10 0 BGAEMP C[C@@H](C[NH2+]C1CCCCC1)[NH+]1CCCCCC1 ZINC000053486601 175730915 /nfs/dbraw/zinc/73/09/15/175730915.db2.gz SKGZPZXRAGIMAX-AWEZNQCLSA-N 2 1 238.419 3.173 10 0 BGAEMP CCC(CC)[NH2+]C[C@@H](C)[N@@H+](C)C1CCCCC1 ZINC000053486841 168388853 /nfs/dbraw/zinc/38/88/53/168388853.db2.gz STKPAQPTVPOWEO-CYBMUJFWSA-N 2 1 240.435 3.418 10 0 BGAEMP CCC(CC)[NH2+]C[C@H](C)[N@@H+](C)C1CCCCC1 ZINC000053486843 168388619 /nfs/dbraw/zinc/38/86/19/168388619.db2.gz STKPAQPTVPOWEO-ZDUSSCGKSA-N 2 1 240.435 3.418 10 0 BGAEMP CCC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053487350 169369993 /nfs/dbraw/zinc/36/99/93/169369993.db2.gz KNOIHNAQTRTWJW-LXTVHRRPSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[C@@H](C)[NH2+]C[C@@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053487350 169369992 /nfs/dbraw/zinc/36/99/92/169369992.db2.gz KNOIHNAQTRTWJW-LXTVHRRPSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[C@@H](C)[NH2+]C[C@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053487354 169369557 /nfs/dbraw/zinc/36/95/57/169369557.db2.gz KNOIHNAQTRTWJW-BARDWOONSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[C@@H](C)[NH2+]C[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053487354 169369555 /nfs/dbraw/zinc/36/95/55/169369555.db2.gz KNOIHNAQTRTWJW-BARDWOONSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCCCC1 ZINC000053488697 169369751 /nfs/dbraw/zinc/36/97/51/169369751.db2.gz CJHFNNJNAGLHMR-HUUCEWRRSA-N 2 1 240.435 3.419 10 0 BGAEMP CCC[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCCCCCC1 ZINC000053488701 169369511 /nfs/dbraw/zinc/36/95/11/169369511.db2.gz CJHFNNJNAGLHMR-CABCVRRESA-N 2 1 240.435 3.419 10 0 BGAEMP CCC(CC)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](CC)C1 ZINC000053491404 168388087 /nfs/dbraw/zinc/38/80/87/168388087.db2.gz GREKROUOCIROTA-UONOGXRCSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(CC)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000053491404 168388085 /nfs/dbraw/zinc/38/80/85/168388085.db2.gz GREKROUOCIROTA-UONOGXRCSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(CC)[NH2+]C[C@H](C)[N@H+]1CCC[C@H](CC)C1 ZINC000053491405 168388473 /nfs/dbraw/zinc/38/84/73/168388473.db2.gz GREKROUOCIROTA-KBPBESRZSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(CC)[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](CC)C1 ZINC000053491405 168388472 /nfs/dbraw/zinc/38/84/72/168388472.db2.gz GREKROUOCIROTA-KBPBESRZSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(C)(C)[NH2+]C[C@H](C)[N@H+]1CC[C@H](C)C[C@@H]1C ZINC000053492959 168299179 /nfs/dbraw/zinc/29/91/79/168299179.db2.gz ILYYFADXGMQFCT-IHRRRGAJSA-N 2 1 240.435 3.274 10 0 BGAEMP CCC(C)(C)[NH2+]C[C@H](C)[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC000053492959 168299178 /nfs/dbraw/zinc/29/91/78/168299178.db2.gz ILYYFADXGMQFCT-IHRRRGAJSA-N 2 1 240.435 3.274 10 0 BGAEMP CC[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCCC1 ZINC000053499002 187272296 /nfs/dbraw/zinc/27/22/96/187272296.db2.gz YLROQDASRJLDCF-OAHLLOKOSA-N 2 1 238.419 3.173 10 0 BGAEMP CC(C)C[NH2+]C[C@@H]1CCC[N@H+]1CCC(C)(C)C ZINC000053650134 167007292 /nfs/dbraw/zinc/00/72/92/167007292.db2.gz PIQKSUMSGYSTBQ-AWEZNQCLSA-N 2 1 240.435 3.133 10 0 BGAEMP CC(C)C[NH2+]C[C@H]1CCC[N@H+]1CCC(C)(C)C ZINC000053650136 167007700 /nfs/dbraw/zinc/00/77/00/167007700.db2.gz PIQKSUMSGYSTBQ-CQSZACIVSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+]C[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000053654803 169262694 /nfs/dbraw/zinc/26/26/94/169262694.db2.gz JHDBYYBKSGTPEV-AWEZNQCLSA-N 2 1 240.435 3.134 10 0 BGAEMP CCC[NH2+]C[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000053654806 169264395 /nfs/dbraw/zinc/26/43/95/169264395.db2.gz JHDBYYBKSGTPEV-CQSZACIVSA-N 2 1 240.435 3.134 10 0 BGAEMP CCCCC[N@H+]1CCC[C@H](C[NH2+]CC(C)C)C1 ZINC000053657639 168697573 /nfs/dbraw/zinc/69/75/73/168697573.db2.gz HRWSNELDAQRMGX-OAHLLOKOSA-N 2 1 240.435 3.134 10 0 BGAEMP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)C(C)C ZINC000053858214 170150368 /nfs/dbraw/zinc/15/03/68/170150368.db2.gz POWPYXYOQCLFGA-RRFJBIMHSA-N 2 1 240.435 3.131 10 0 BGAEMP CC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)C(C)C ZINC000053858215 170165589 /nfs/dbraw/zinc/16/55/89/170165589.db2.gz POWPYXYOQCLFGA-ZNMIVQPWSA-N 2 1 240.435 3.131 10 0 BGAEMP CC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+](C)[C@@H](C)C(C)C ZINC000053858216 170150423 /nfs/dbraw/zinc/15/04/23/170150423.db2.gz POWPYXYOQCLFGA-SOUVJXGZSA-N 2 1 240.435 3.131 10 0 BGAEMP CC[NH2+][C@H]1CCCC[C@H]1C[N@@H+](C)[C@@H](C)C(C)C ZINC000053858217 170165782 /nfs/dbraw/zinc/16/57/82/170165782.db2.gz POWPYXYOQCLFGA-KKUMJFAQSA-N 2 1 240.435 3.131 10 0 BGAEMP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](C)CC(C)(C)C ZINC000053859432 170150599 /nfs/dbraw/zinc/15/05/99/170150599.db2.gz JNZARSAFGUGKNI-ZIAGYGMSSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](C)CC(C)(C)C ZINC000053859433 170165912 /nfs/dbraw/zinc/16/59/12/170165912.db2.gz JNZARSAFGUGKNI-KGLIPLIRSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+](C)CC(C)(C)C ZINC000053859434 170150151 /nfs/dbraw/zinc/15/01/51/170150151.db2.gz JNZARSAFGUGKNI-UONOGXRCSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@H]1CCCC[C@H]1C[N@@H+](C)CC(C)(C)C ZINC000053859435 170165619 /nfs/dbraw/zinc/16/56/19/170165619.db2.gz JNZARSAFGUGKNI-KBPBESRZSA-N 2 1 240.435 3.133 10 0 BGAEMP CC1CCC([N@@H+](C)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000053859550 168157657 /nfs/dbraw/zinc/15/76/57/168157657.db2.gz QDFHEKCQLFGUKQ-SHWKFHJASA-N 2 1 238.419 3.014 10 0 BGAEMP CC1CCC([N@@H+](C)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000053859551 168159802 /nfs/dbraw/zinc/15/98/02/168159802.db2.gz QDFHEKCQLFGUKQ-JYVUQVBGSA-N 2 1 238.419 3.014 10 0 BGAEMP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](C)CCC(C)C ZINC000053859592 170150249 /nfs/dbraw/zinc/15/02/49/170150249.db2.gz BLJOGDNEXQOHOC-HUUCEWRRSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](C)CCC(C)C ZINC000053859593 170165643 /nfs/dbraw/zinc/16/56/43/170165643.db2.gz BLJOGDNEXQOHOC-CABCVRRESA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+](C)CCC(C)C ZINC000053859594 170150377 /nfs/dbraw/zinc/15/03/77/170150377.db2.gz BLJOGDNEXQOHOC-LSDHHAIUSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@H]1CCCC[C@H]1C[N@@H+](C)CCC(C)C ZINC000053859595 170166221 /nfs/dbraw/zinc/16/62/21/170166221.db2.gz BLJOGDNEXQOHOC-GJZGRUSLSA-N 2 1 240.435 3.133 10 0 BGAEMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000053862863 188170706 /nfs/dbraw/zinc/17/07/06/188170706.db2.gz SXBKNMOZDIBBLH-HOTGVXAUSA-N 2 1 246.398 3.024 10 0 BGAEMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCC[C@@H]1[NH3+] ZINC000053862865 187311358 /nfs/dbraw/zinc/31/13/58/187311358.db2.gz SXBKNMOZDIBBLH-CVEARBPZSA-N 2 1 246.398 3.024 10 0 BGAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+](C)C2CCCCC2)C1 ZINC000053863502 176229129 /nfs/dbraw/zinc/22/91/29/176229129.db2.gz BENWFNHEGZUTIA-IPYPFGDCSA-N 2 1 238.419 3.014 10 0 BGAEMP CC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](CC)CC[C@@H]1[NH2+]C ZINC000053864934 171308343 /nfs/dbraw/zinc/30/83/43/171308343.db2.gz KSUPPTRANNNMDP-XGUBFFRZSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[N@@H+](CC)C[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC ZINC000053865024 169124537 /nfs/dbraw/zinc/12/45/37/169124537.db2.gz LDGSSWJZIVDSCC-ILXRZTDVSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+](CC)CC(C)C)C1 ZINC000053865122 171056671 /nfs/dbraw/zinc/05/66/71/171056671.db2.gz ZRBAFTVAKKZPHM-ILXRZTDVSA-N 2 1 240.435 3.118 10 0 BGAEMP CC[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@@H+](CC)CC(C)C)C1 ZINC000053865126 171040695 /nfs/dbraw/zinc/04/06/95/171040695.db2.gz ZRBAFTVAKKZPHM-QLFBSQMISA-N 2 1 240.435 3.118 10 0 BGAEMP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1C[N@@H+](C)CC ZINC000053865211 169282746 /nfs/dbraw/zinc/28/27/46/169282746.db2.gz UFMOWDWKKMDRPG-RRFJBIMHSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1C[N@@H+](C)CC ZINC000053865212 169292914 /nfs/dbraw/zinc/29/29/14/169292914.db2.gz UFMOWDWKKMDRPG-ZNMIVQPWSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1C[N@@H+](C)CC ZINC000053865213 169282650 /nfs/dbraw/zinc/28/26/50/169282650.db2.gz UFMOWDWKKMDRPG-RBSFLKMASA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1C[N@@H+](C)CC ZINC000053865214 169292278 /nfs/dbraw/zinc/29/22/78/169292278.db2.gz UFMOWDWKKMDRPG-KFWWJZLASA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[N@@H+](C)C[C@@H]1C[C@H](CC)CC[C@@H]1[NH2+]CC ZINC000053865632 169079667 /nfs/dbraw/zinc/07/96/67/169079667.db2.gz PORKPEDELDPAPQ-ILXRZTDVSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[N@@H+](C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000053865658 169078486 /nfs/dbraw/zinc/07/84/86/169078486.db2.gz VSISGYZVMBVKQV-MJBXVCDLSA-N 2 1 240.435 3.118 10 0 BGAEMP CC[C@H](C)[N@@H+](CC)C[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] ZINC000053865843 171311868 /nfs/dbraw/zinc/31/18/68/171311868.db2.gz CKGCQHLSOSSRIV-XGUBFFRZSA-N 2 1 240.435 3.260 10 0 BGAEMP CCC[N@@H+](C[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+])C(C)C ZINC000053865877 188300168 /nfs/dbraw/zinc/30/01/68/188300168.db2.gz DTNUWCUKBIHQIB-ILXRZTDVSA-N 2 1 240.435 3.260 10 0 BGAEMP CCC(CC)[N@@H+](C)C[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C ZINC000053866879 168369394 /nfs/dbraw/zinc/36/93/94/168369394.db2.gz QHZRNHWZLGXNDJ-IPYPFGDCSA-N 2 1 240.435 3.131 10 0 BGAEMP C[C@H]([N@@H+](C)C[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+])C(C)(C)C ZINC000053871397 177203500 /nfs/dbraw/zinc/20/35/00/177203500.db2.gz VYKHNCXUMRPHOD-XUXIUFHCSA-N 2 1 240.435 3.116 10 0 BGAEMP CCC[N@@H+](CC1CC1)C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000053872756 169138638 /nfs/dbraw/zinc/13/86/38/169138638.db2.gz IXQSYVXRUDCNLF-GJZGRUSLSA-N 2 1 238.419 3.016 10 0 BGAEMP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](C)CC(C)(C)C ZINC000053877735 169282267 /nfs/dbraw/zinc/28/22/67/169282267.db2.gz CFKOKRZBYDWBOX-ZIAGYGMSSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+][C@H]1CCC[C@@H]1C[N@@H+](C)CC(C)(C)C ZINC000053877737 169290390 /nfs/dbraw/zinc/29/03/90/169290390.db2.gz CFKOKRZBYDWBOX-KGLIPLIRSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+][C@@H]1CCC[C@H]1C[N@@H+](C)CC(C)(C)C ZINC000053877739 169282018 /nfs/dbraw/zinc/28/20/18/169282018.db2.gz CFKOKRZBYDWBOX-UONOGXRCSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+][C@H]1CCC[C@H]1C[N@@H+](C)CC(C)(C)C ZINC000053877741 169292024 /nfs/dbraw/zinc/29/20/24/169292024.db2.gz CFKOKRZBYDWBOX-KBPBESRZSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@@H](CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000053932040 170145204 /nfs/dbraw/zinc/14/52/04/170145204.db2.gz RQNRFHJMICJJQZ-HOCLYGCPSA-N 2 1 246.398 3.212 10 0 BGAEMP CC[NH2+][C@H](CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000053932042 170161962 /nfs/dbraw/zinc/16/19/62/170161962.db2.gz RQNRFHJMICJJQZ-GOEBONIOSA-N 2 1 246.398 3.212 10 0 BGAEMP CC[NH2+][C@@H](CC[N@@H+](C)[C@H](C)CC)c1ccccc1 ZINC000053932716 170145090 /nfs/dbraw/zinc/14/50/90/170145090.db2.gz AAIOKXYVQUALJT-ZBFHGGJFSA-N 2 1 248.414 3.458 10 0 BGAEMP CC[NH2+][C@@H](CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC000053932718 170145362 /nfs/dbraw/zinc/14/53/62/170145362.db2.gz AAIOKXYVQUALJT-HOCLYGCPSA-N 2 1 248.414 3.458 10 0 BGAEMP CC[NH2+][C@@H](CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC000053932852 170145535 /nfs/dbraw/zinc/14/55/35/170145535.db2.gz AOJPLGRRRRNQKC-INIZCTEOSA-N 2 1 248.414 3.458 10 0 BGAEMP CC[NH2+][C@H](CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC000053932854 170161821 /nfs/dbraw/zinc/16/18/21/170161821.db2.gz AOJPLGRRRRNQKC-MRXNPFEDSA-N 2 1 248.414 3.458 10 0 BGAEMP CC[NH2+][C@@H](CC[N@@H+](C)CC(C)C)c1ccccc1 ZINC000053932933 170145171 /nfs/dbraw/zinc/14/51/71/170145171.db2.gz SWNMDTYQZATKAR-INIZCTEOSA-N 2 1 248.414 3.315 10 0 BGAEMP CC[NH2+][C@H](CC[N@@H+](C)CC(C)C)c1ccccc1 ZINC000053932935 170161556 /nfs/dbraw/zinc/16/15/56/170161556.db2.gz SWNMDTYQZATKAR-MRXNPFEDSA-N 2 1 248.414 3.315 10 0 BGAEMP CCC[N@@H+](CC[C@H]([NH2+]C)c1ccccc1)C(C)C ZINC000053932973 169170202 /nfs/dbraw/zinc/17/02/02/169170202.db2.gz PERARGXSBPRRDM-INIZCTEOSA-N 2 1 248.414 3.458 10 0 BGAEMP CCC[N@@H+](CC[C@@H]([NH2+]C)c1ccccc1)C(C)C ZINC000053932974 169170956 /nfs/dbraw/zinc/17/09/56/169170956.db2.gz PERARGXSBPRRDM-MRXNPFEDSA-N 2 1 248.414 3.458 10 0 BGAEMP CCC[N@@H+](CC[C@H]([NH2+]C)c1ccccc1)C1CC1 ZINC000053932999 169171035 /nfs/dbraw/zinc/17/10/35/169171035.db2.gz ZUQZDYRRAYQGSE-INIZCTEOSA-N 2 1 246.398 3.212 10 0 BGAEMP CCC[N@@H+](CC[C@@H]([NH2+]C)c1ccccc1)C1CC1 ZINC000053933002 169170737 /nfs/dbraw/zinc/17/07/37/169170737.db2.gz ZUQZDYRRAYQGSE-MRXNPFEDSA-N 2 1 246.398 3.212 10 0 BGAEMP CC[C@H](C)[N@@H+](C)C[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000053938829 171308315 /nfs/dbraw/zinc/30/83/15/171308315.db2.gz SPMCAGXVAANTGY-IPYPFGDCSA-N 2 1 234.387 3.053 10 0 BGAEMP CCC[N@@H+](CC)C[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000053938881 169125857 /nfs/dbraw/zinc/12/58/57/169125857.db2.gz JHUACKQZBWSQET-HIFRSBDPSA-N 2 1 234.387 3.054 10 0 BGAEMP CCC[N@@H+](CC)C[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000053938882 169129904 /nfs/dbraw/zinc/12/99/04/169129904.db2.gz JHUACKQZBWSQET-ZFWWWQNUSA-N 2 1 234.387 3.054 10 0 BGAEMP CCC[NH2+][C@@H](CC[N@@H+](C)CC)c1ccc(C)cc1 ZINC000053938986 169277697 /nfs/dbraw/zinc/27/76/97/169277697.db2.gz IUFXZYXVQAJWSV-INIZCTEOSA-N 2 1 248.414 3.378 10 0 BGAEMP CCC[NH2+][C@H](CC[N@@H+](C)CC)c1ccc(C)cc1 ZINC000053938989 169288863 /nfs/dbraw/zinc/28/88/63/169288863.db2.gz IUFXZYXVQAJWSV-MRXNPFEDSA-N 2 1 248.414 3.378 10 0 BGAEMP Cc1ccccc1[C@H]([NH3+])CC[N@@H+]1CCCC[C@@H]1C ZINC000054015650 179343136 /nfs/dbraw/zinc/34/31/36/179343136.db2.gz VVOISETUXSWICM-GOEBONIOSA-N 2 1 246.398 3.259 10 0 BGAEMP Cc1ccccc1[C@@H]([NH3+])CC[N@@H+]1CCCC[C@@H]1C ZINC000054015652 179325529 /nfs/dbraw/zinc/32/55/29/179325529.db2.gz VVOISETUXSWICM-HOCLYGCPSA-N 2 1 246.398 3.259 10 0 BGAEMP Cc1ccccc1[C@H]([NH3+])CC[N@@H+]1CCC[C@H](C)C1 ZINC000054015865 179343072 /nfs/dbraw/zinc/34/30/72/179343072.db2.gz NQYHGDWXWZJCPP-XJKSGUPXSA-N 2 1 246.398 3.117 10 0 BGAEMP Cc1ccccc1[C@@H]([NH3+])CC[N@@H+]1CCC[C@H](C)C1 ZINC000054015867 179324804 /nfs/dbraw/zinc/32/48/04/179324804.db2.gz NQYHGDWXWZJCPP-BBRMVZONSA-N 2 1 246.398 3.117 10 0 BGAEMP Cc1ccccc1[C@H]([NH3+])CC[N@H+](C)C1CCCC1 ZINC000054017116 179343832 /nfs/dbraw/zinc/34/38/32/179343832.db2.gz JDTIRHMGXXQELF-MRXNPFEDSA-N 2 1 246.398 3.259 10 0 BGAEMP Cc1ccccc1[C@H]([NH3+])CC[N@@H+](C)C1CCCC1 ZINC000054017116 179343829 /nfs/dbraw/zinc/34/38/29/179343829.db2.gz JDTIRHMGXXQELF-MRXNPFEDSA-N 2 1 246.398 3.259 10 0 BGAEMP Cc1ccccc1[C@@H]([NH3+])CC[N@H+](C)C1CCCC1 ZINC000054017118 179325269 /nfs/dbraw/zinc/32/52/69/179325269.db2.gz JDTIRHMGXXQELF-INIZCTEOSA-N 2 1 246.398 3.259 10 0 BGAEMP Cc1ccccc1[C@@H]([NH3+])CC[N@@H+](C)C1CCCC1 ZINC000054017118 179325267 /nfs/dbraw/zinc/32/52/67/179325267.db2.gz JDTIRHMGXXQELF-INIZCTEOSA-N 2 1 246.398 3.259 10 0 BGAEMP CCC[N@@H+](CC[C@H]([NH3+])c1ccccc1C)C1CC1 ZINC000054017279 169170150 /nfs/dbraw/zinc/17/01/50/169170150.db2.gz AZOKZNVXWQAFNM-INIZCTEOSA-N 2 1 246.398 3.259 10 0 BGAEMP CCC[N@H+](CC[C@H]([NH3+])c1ccccc1C)C1CC1 ZINC000054017279 169170149 /nfs/dbraw/zinc/17/01/49/169170149.db2.gz AZOKZNVXWQAFNM-INIZCTEOSA-N 2 1 246.398 3.259 10 0 BGAEMP CCC[N@@H+](CC[C@@H]([NH3+])c1ccccc1C)C1CC1 ZINC000054017281 169171184 /nfs/dbraw/zinc/17/11/84/169171184.db2.gz AZOKZNVXWQAFNM-MRXNPFEDSA-N 2 1 246.398 3.259 10 0 BGAEMP CCC[N@H+](CC[C@@H]([NH3+])c1ccccc1C)C1CC1 ZINC000054017281 169171180 /nfs/dbraw/zinc/17/11/80/169171180.db2.gz AZOKZNVXWQAFNM-MRXNPFEDSA-N 2 1 246.398 3.259 10 0 BGAEMP CC[C@H](C)C[N@@H+](C)CC[C@H]([NH3+])c1ccccc1C ZINC000054017325 171273452 /nfs/dbraw/zinc/27/34/52/171273452.db2.gz HNEJSZLEOZQHDK-BBRMVZONSA-N 2 1 248.414 3.363 10 0 BGAEMP CC[C@H](C)C[N@H+](C)CC[C@H]([NH3+])c1ccccc1C ZINC000054017325 171273451 /nfs/dbraw/zinc/27/34/51/171273451.db2.gz HNEJSZLEOZQHDK-BBRMVZONSA-N 2 1 248.414 3.363 10 0 BGAEMP Cc1ccccc1[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(C)C ZINC000054017932 179343454 /nfs/dbraw/zinc/34/34/54/179343454.db2.gz GONWVVNAINKSKF-GOEBONIOSA-N 2 1 248.414 3.361 10 0 BGAEMP Cc1ccccc1[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(C)C ZINC000054017932 179343452 /nfs/dbraw/zinc/34/34/52/179343452.db2.gz GONWVVNAINKSKF-GOEBONIOSA-N 2 1 248.414 3.361 10 0 BGAEMP Cc1ccccc1[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(C)C ZINC000054017934 179324262 /nfs/dbraw/zinc/32/42/62/179324262.db2.gz GONWVVNAINKSKF-HOCLYGCPSA-N 2 1 248.414 3.361 10 0 BGAEMP Cc1ccccc1[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(C)C ZINC000054017934 179324260 /nfs/dbraw/zinc/32/42/60/179324260.db2.gz GONWVVNAINKSKF-HOCLYGCPSA-N 2 1 248.414 3.361 10 0 BGAEMP Cc1ccccc1[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C1CC1 ZINC000054018008 179343276 /nfs/dbraw/zinc/34/32/76/179343276.db2.gz JJBZPSDNYIWWGI-XJKSGUPXSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1ccccc1[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C1CC1 ZINC000054018008 179343275 /nfs/dbraw/zinc/34/32/75/179343275.db2.gz JJBZPSDNYIWWGI-XJKSGUPXSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1ccccc1[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C1CC1 ZINC000054018010 179325298 /nfs/dbraw/zinc/32/52/98/179325298.db2.gz JJBZPSDNYIWWGI-BBRMVZONSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1ccccc1[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C1CC1 ZINC000054018010 179325296 /nfs/dbraw/zinc/32/52/96/179325296.db2.gz JJBZPSDNYIWWGI-BBRMVZONSA-N 2 1 246.398 3.115 10 0 BGAEMP CC[NH2+][C@@H](CC[N@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000054027055 170145604 /nfs/dbraw/zinc/14/56/04/170145604.db2.gz NUYCKSTZBIHQSI-KBPBESRZSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@H](CC[N@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000054027057 170161511 /nfs/dbraw/zinc/16/15/11/170161511.db2.gz NUYCKSTZBIHQSI-UONOGXRCSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@@H](CC[N@@H+](CC)CC(C)C)C(C)(C)C ZINC000054027497 170145210 /nfs/dbraw/zinc/14/52/10/170145210.db2.gz VCMNXIOSMSQSFG-AWEZNQCLSA-N 2 1 242.451 3.379 10 0 BGAEMP CC[NH2+][C@H](CC[N@@H+](CC)CC(C)C)C(C)(C)C ZINC000054027499 170161924 /nfs/dbraw/zinc/16/19/24/170161924.db2.gz VCMNXIOSMSQSFG-CQSZACIVSA-N 2 1 242.451 3.379 10 0 BGAEMP CCC[NH2+][C@@H](CC[N@@H+](C)CC(C)C)C(C)(C)C ZINC000054027619 169278111 /nfs/dbraw/zinc/27/81/11/169278111.db2.gz ARCPGKINTWQRGO-AWEZNQCLSA-N 2 1 242.451 3.379 10 0 BGAEMP CCC[NH2+][C@H](CC[N@@H+](C)CC(C)C)C(C)(C)C ZINC000054027621 169289100 /nfs/dbraw/zinc/28/91/00/169289100.db2.gz ARCPGKINTWQRGO-CQSZACIVSA-N 2 1 242.451 3.379 10 0 BGAEMP CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[N@@H+](C)CC ZINC000054554837 169282793 /nfs/dbraw/zinc/28/27/93/169282793.db2.gz PVAXJEGUYQRRQM-ZNMIVQPWSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[N@H+](C)CC ZINC000054554837 169282792 /nfs/dbraw/zinc/28/27/92/169282792.db2.gz PVAXJEGUYQRRQM-ZNMIVQPWSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[N@@H+](C)CC ZINC000054554838 169292713 /nfs/dbraw/zinc/29/27/13/169292713.db2.gz PVAXJEGUYQRRQM-KKUMJFAQSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[N@H+](C)CC ZINC000054554838 169292712 /nfs/dbraw/zinc/29/27/12/169292712.db2.gz PVAXJEGUYQRRQM-KKUMJFAQSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](C)CC ZINC000054554839 169283287 /nfs/dbraw/zinc/28/32/87/169283287.db2.gz PVAXJEGUYQRRQM-KFWWJZLASA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](C)CC ZINC000054554839 169283285 /nfs/dbraw/zinc/28/32/85/169283285.db2.gz PVAXJEGUYQRRQM-KFWWJZLASA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](C)CC ZINC000054554840 169292664 /nfs/dbraw/zinc/29/26/64/169292664.db2.gz PVAXJEGUYQRRQM-ILXRZTDVSA-N 2 1 240.435 3.131 10 0 BGAEMP CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](C)CC ZINC000054554840 169292663 /nfs/dbraw/zinc/29/26/63/169292663.db2.gz PVAXJEGUYQRRQM-ILXRZTDVSA-N 2 1 240.435 3.131 10 0 BGAEMP CC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054559700 171308615 /nfs/dbraw/zinc/30/86/15/171308615.db2.gz FUGSBOKOOKHHJL-XGUBFFRZSA-N 2 1 240.435 3.116 10 0 BGAEMP C[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601338 176021703 /nfs/dbraw/zinc/02/17/03/176021703.db2.gz BZCBXWJMJUXVIL-WWTUQBGBSA-N 2 1 244.382 3.092 10 0 BGAEMP C[C@H](c1ccccc1)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601339 177039863 /nfs/dbraw/zinc/03/98/63/177039863.db2.gz BZCBXWJMJUXVIL-OHRKKDJYSA-N 2 1 244.382 3.092 10 0 BGAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)(C)C ZINC000054602354 170109199 /nfs/dbraw/zinc/10/91/99/170109199.db2.gz SFQPGZLHPMYIFO-AGUYFDCRSA-N 2 1 238.419 3.028 10 0 BGAEMP CC1([N@@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)CCCCC1 ZINC000054602765 168055161 /nfs/dbraw/zinc/05/51/61/168055161.db2.gz VNEIDWDDUXSAOU-AGUYFDCRSA-N 2 1 236.403 3.053 10 0 BGAEMP CC1([N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)CCCCC1 ZINC000054602765 168055158 /nfs/dbraw/zinc/05/51/58/168055158.db2.gz VNEIDWDDUXSAOU-AGUYFDCRSA-N 2 1 236.403 3.053 10 0 BGAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C(CC)CC ZINC000054603363 169256133 /nfs/dbraw/zinc/25/61/33/169256133.db2.gz JLBXVENUHSTWRZ-LQDVMPOASA-N 2 1 238.419 3.170 10 0 BGAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)(C)CC ZINC000054626538 169256221 /nfs/dbraw/zinc/25/62/21/169256221.db2.gz KTJRDTFCZXIQPW-AGUYFDCRSA-N 2 1 238.419 3.170 10 0 BGAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)C ZINC000054628705 169256080 /nfs/dbraw/zinc/25/60/80/169256080.db2.gz QUGRPQAJZHGMOC-AGUYFDCRSA-N 2 1 238.419 3.028 10 0 BGAEMP C[C@@H](c1cccs1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC000055144560 176033512 /nfs/dbraw/zinc/03/35/12/176033512.db2.gz DFBRSIQTZWFOIH-UNXYVOJBSA-N 2 1 238.400 3.011 10 0 BGAEMP C[C@H](c1cccs1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC000055144563 177049157 /nfs/dbraw/zinc/04/91/57/177049157.db2.gz DFBRSIQTZWFOIH-VOMCLLRMSA-N 2 1 238.400 3.011 10 0 BGAEMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]([NH3+])C(C)(C)C ZINC000058057752 188357304 /nfs/dbraw/zinc/35/73/04/188357304.db2.gz KPOYVXFVVXIPDQ-OAHLLOKOSA-N 2 1 248.414 3.270 10 0 BGAEMP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]([NH3+])C(C)(C)C ZINC000058057752 188357303 /nfs/dbraw/zinc/35/73/03/188357303.db2.gz KPOYVXFVVXIPDQ-OAHLLOKOSA-N 2 1 248.414 3.270 10 0 BGAEMP CC(C)[N@H+](Cc1ccccc1)C[C@@H](N)C(C)(C)C ZINC000058057752 188357301 /nfs/dbraw/zinc/35/73/01/188357301.db2.gz KPOYVXFVVXIPDQ-OAHLLOKOSA-N 2 1 248.414 3.270 10 0 BGAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C ZINC000058058412 177117250 /nfs/dbraw/zinc/11/72/50/177117250.db2.gz LPNJYUJZSMYXHB-XQQFMLRXSA-N 2 1 226.408 3.013 10 0 BGAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000058082459 177117514 /nfs/dbraw/zinc/11/75/14/177117514.db2.gz XZGZQYAQHNXWSC-XGUBFFRZSA-N 2 1 238.419 3.157 10 0 BGAEMP CC[NH2+]C[C@@H](C)C[N@@H+](Cc1ccccc1)C(C)C ZINC000060403803 170119154 /nfs/dbraw/zinc/11/91/54/170119154.db2.gz XGWVDURSSUZPBJ-OAHLLOKOSA-N 2 1 248.414 3.143 10 0 BGAEMP CC[NH2+]C[C@H](C)C[N@@H+](Cc1ccccc1)C(C)C ZINC000060403805 170121839 /nfs/dbraw/zinc/12/18/39/170121839.db2.gz XGWVDURSSUZPBJ-HNNXBMFYSA-N 2 1 248.414 3.143 10 0 BGAEMP CC[NH2+][C@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]1CC ZINC000060720525 170165555 /nfs/dbraw/zinc/16/55/55/170165555.db2.gz YMFMTUMIJBGNBK-KKUMJFAQSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1C ZINC000060720704 170150666 /nfs/dbraw/zinc/15/06/66/170150666.db2.gz SXEUHUFWGUPKPU-RRFJBIMHSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1C ZINC000060720705 170165613 /nfs/dbraw/zinc/16/56/13/170165613.db2.gz SXEUHUFWGUPKPU-ZNMIVQPWSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@@H]1CCCC[C@H]1C[N@H+]1CCCC[C@@H]1C ZINC000060720706 170150911 /nfs/dbraw/zinc/15/09/11/170150911.db2.gz SXEUHUFWGUPKPU-SOUVJXGZSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@H]1CCCC[C@H]1C[N@H+]1CCCC[C@@H]1C ZINC000060720707 170166074 /nfs/dbraw/zinc/16/60/74/170166074.db2.gz SXEUHUFWGUPKPU-KKUMJFAQSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](CC)CCC ZINC000060743986 169281934 /nfs/dbraw/zinc/28/19/34/169281934.db2.gz XCKSSSMUHQIOHB-HUUCEWRRSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](CC)CCC ZINC000060743988 169290751 /nfs/dbraw/zinc/29/07/51/169290751.db2.gz XCKSSSMUHQIOHB-CABCVRRESA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+](CC)CCC ZINC000060743991 169282024 /nfs/dbraw/zinc/28/20/24/169282024.db2.gz XCKSSSMUHQIOHB-LSDHHAIUSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+][C@H]1CCCC[C@H]1C[N@@H+](CC)CCC ZINC000060743993 169290369 /nfs/dbraw/zinc/29/03/69/169290369.db2.gz XCKSSSMUHQIOHB-GJZGRUSLSA-N 2 1 240.435 3.277 10 0 BGAEMP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](C)C1CCCC1 ZINC000060744221 170150166 /nfs/dbraw/zinc/15/01/66/170150166.db2.gz SHSRMGCDKYNYMU-UKRRQHHQSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](C)C1CCCC1 ZINC000060744223 170166272 /nfs/dbraw/zinc/16/62/72/170166272.db2.gz SHSRMGCDKYNYMU-HIFRSBDPSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+](C)C1CCCC1 ZINC000060744226 170150927 /nfs/dbraw/zinc/15/09/27/170150927.db2.gz SHSRMGCDKYNYMU-DZGCQCFKSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@H]1CCCC[C@H]1C[N@@H+](C)C1CCCC1 ZINC000060744229 170165830 /nfs/dbraw/zinc/16/58/30/170165830.db2.gz SHSRMGCDKYNYMU-ZFWWWQNUSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@@H](C)C[NH+]1CCC2(CCCCC2)CC1 ZINC000061819378 170138946 /nfs/dbraw/zinc/13/89/46/170138946.db2.gz NLYWZTWKINVUFS-AWEZNQCLSA-N 2 1 238.419 3.031 10 0 BGAEMP CC[NH2+][C@H](C)C[NH+]1CCC2(CCCCC2)CC1 ZINC000061819379 170156740 /nfs/dbraw/zinc/15/67/40/170156740.db2.gz NLYWZTWKINVUFS-CQSZACIVSA-N 2 1 238.419 3.031 10 0 BGAEMP CCC[NH2+][C@@H](CCC)C[NH+]1CCC(C)(C)CC1 ZINC000061819451 169277906 /nfs/dbraw/zinc/27/79/06/169277906.db2.gz QOPDFGWBJUMVJQ-AWEZNQCLSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+][C@H](CCC)C[NH+]1CCC(C)(C)CC1 ZINC000061819452 169289193 /nfs/dbraw/zinc/28/91/93/169289193.db2.gz QOPDFGWBJUMVJQ-CQSZACIVSA-N 2 1 240.435 3.277 10 0 BGAEMP Cc1cccc(C[N@H+](C)[C@H](C[NH3+])CC(C)(C)C)c1 ZINC000061839848 179068808 /nfs/dbraw/zinc/06/88/08/179068808.db2.gz ZRNXILDTMYQEOH-HNNXBMFYSA-N 2 1 248.414 3.190 10 0 BGAEMP Cc1cccc(C[N@@H+](C)[C@H](C[NH3+])CC(C)(C)C)c1 ZINC000061839848 179068804 /nfs/dbraw/zinc/06/88/04/179068804.db2.gz ZRNXILDTMYQEOH-HNNXBMFYSA-N 2 1 248.414 3.190 10 0 BGAEMP Cc1cccc(C[N@H+](C)[C@@H](C[NH3+])CC(C)(C)C)c1 ZINC000061839849 179070310 /nfs/dbraw/zinc/07/03/10/179070310.db2.gz ZRNXILDTMYQEOH-OAHLLOKOSA-N 2 1 248.414 3.190 10 0 BGAEMP Cc1cccc(C[N@@H+](C)[C@@H](C[NH3+])CC(C)(C)C)c1 ZINC000061839849 179070308 /nfs/dbraw/zinc/07/03/08/179070308.db2.gz ZRNXILDTMYQEOH-OAHLLOKOSA-N 2 1 248.414 3.190 10 0 BGAEMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C(C)(C)C[NH3+] ZINC000062013251 176014287 /nfs/dbraw/zinc/01/42/87/176014287.db2.gz GROQMYYTWKIWKD-JTQLQIEISA-N 2 1 240.778 3.070 10 0 BGAEMP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C(C)(C)C[NH3+] ZINC000062013251 176014286 /nfs/dbraw/zinc/01/42/86/176014286.db2.gz GROQMYYTWKIWKD-JTQLQIEISA-N 2 1 240.778 3.070 10 0 BGAEMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C(C)(C)C[NH3+] ZINC000062013252 177032910 /nfs/dbraw/zinc/03/29/10/177032910.db2.gz GROQMYYTWKIWKD-SNVBAGLBSA-N 2 1 240.778 3.070 10 0 BGAEMP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C(C)(C)C[NH3+] ZINC000062013252 177032908 /nfs/dbraw/zinc/03/29/08/177032908.db2.gz GROQMYYTWKIWKD-SNVBAGLBSA-N 2 1 240.778 3.070 10 0 BGAEMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C(C)(C)C[NH3+] ZINC000062013493 176016720 /nfs/dbraw/zinc/01/67/20/176016720.db2.gz CATHDQADSWROKL-JTQLQIEISA-N 2 1 240.778 3.070 10 0 BGAEMP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C(C)(C)C[NH3+] ZINC000062013493 176016719 /nfs/dbraw/zinc/01/67/19/176016719.db2.gz CATHDQADSWROKL-JTQLQIEISA-N 2 1 240.778 3.070 10 0 BGAEMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C(C)(C)C[NH3+] ZINC000062013494 177035457 /nfs/dbraw/zinc/03/54/57/177035457.db2.gz CATHDQADSWROKL-SNVBAGLBSA-N 2 1 240.778 3.070 10 0 BGAEMP C[C@H](c1cccc(Cl)c1)[N@H+](C)C(C)(C)C[NH3+] ZINC000062013494 177035456 /nfs/dbraw/zinc/03/54/56/177035456.db2.gz CATHDQADSWROKL-SNVBAGLBSA-N 2 1 240.778 3.070 10 0 BGAEMP CC[C@@H]1CC[N@@H+](CCCC(C)C)C[C@H](C)C[NH2+]1 ZINC000062097615 171013007 /nfs/dbraw/zinc/01/30/07/171013007.db2.gz VIEZQLPTDUPAPT-HUUCEWRRSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+][C@@H]1CC[N@@H+](CCCC(C)C)[C@H](C)C1 ZINC000062097979 169282357 /nfs/dbraw/zinc/28/23/57/169282357.db2.gz NWXBFUYTANNVAW-HUUCEWRRSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[NH2+][C@H]1CC[N@@H+](CCCC(C)C)[C@H](C)C1 ZINC000062097982 169292052 /nfs/dbraw/zinc/29/20/52/169292052.db2.gz NWXBFUYTANNVAW-CABCVRRESA-N 2 1 240.435 3.275 10 0 BGAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC(C)C ZINC000062098862 173324097 /nfs/dbraw/zinc/32/40/97/173324097.db2.gz YIJURGYLDIXQJT-GOOCMWNKSA-N 2 1 238.419 3.028 10 0 BGAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC(C)C ZINC000062098862 173324095 /nfs/dbraw/zinc/32/40/95/173324095.db2.gz YIJURGYLDIXQJT-GOOCMWNKSA-N 2 1 238.419 3.028 10 0 BGAEMP CCCC1(C[N@@H+](C)[C@H](C)C(C)C)CC[NH2+]CC1 ZINC000062850704 187273555 /nfs/dbraw/zinc/27/35/55/187273555.db2.gz PADMSIRIXATOCW-CQSZACIVSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[N@@H+](C[C@]1(CCC)CCC[NH2+]C1)C(C)C ZINC000062861930 169173559 /nfs/dbraw/zinc/17/35/59/169173559.db2.gz NGOFZFOMZCZLRU-OAHLLOKOSA-N 2 1 240.435 3.277 10 0 BGAEMP CC[C@@]1(C[N@@H+](C)[C@@H](C)CC(C)C)CCC[NH2+]C1 ZINC000062862742 171211104 /nfs/dbraw/zinc/21/11/04/171211104.db2.gz PNCACWKOFIXJBN-LSDHHAIUSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[C@@H](C[NH+]1CCC(C)(CC)CC1)[NH2+]CC ZINC000062953061 169383597 /nfs/dbraw/zinc/38/35/97/169383597.db2.gz KQFLBCYTMMWFRS-AWEZNQCLSA-N 2 1 240.435 3.277 10 0 BGAEMP CC[NH2+][C@@H](C)[C@@H](C)[NH+]1CCC2(CCCC2)CC1 ZINC000062953606 170140504 /nfs/dbraw/zinc/14/05/04/170140504.db2.gz WVANUQWGIURHBP-UONOGXRCSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@H](C)[C@@H](C)[NH+]1CCC2(CCCC2)CC1 ZINC000062953607 170158742 /nfs/dbraw/zinc/15/87/42/170158742.db2.gz WVANUQWGIURHBP-ZIAGYGMSSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@@H](C)[C@H](C)[NH+]1CCC2(CCCC2)CC1 ZINC000062953608 170141009 /nfs/dbraw/zinc/14/10/09/170141009.db2.gz WVANUQWGIURHBP-KBPBESRZSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@H](C)[C@H](C)[NH+]1CCC2(CCCC2)CC1 ZINC000062953609 170158704 /nfs/dbraw/zinc/15/87/04/170158704.db2.gz WVANUQWGIURHBP-KGLIPLIRSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+]C[C@@H](CC)[NH+]1CCC(C)(CC)CC1 ZINC000062958258 169262949 /nfs/dbraw/zinc/26/29/49/169262949.db2.gz CNBFGVRKGSEOSI-CQSZACIVSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]C[C@H](CC)[NH+]1CCC(C)(CC)CC1 ZINC000062958259 169263507 /nfs/dbraw/zinc/26/35/07/169263507.db2.gz CNBFGVRKGSEOSI-AWEZNQCLSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]C[C@@H](C)[NH+]1CCC(CC)(CC)CC1 ZINC000062958449 169261629 /nfs/dbraw/zinc/26/16/29/169261629.db2.gz HDXOMLWNEYMSIR-CQSZACIVSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]C[C@H](C)[NH+]1CCC(CC)(CC)CC1 ZINC000062958450 169263287 /nfs/dbraw/zinc/26/32/87/169263287.db2.gz HDXOMLWNEYMSIR-AWEZNQCLSA-N 2 1 240.435 3.277 10 0 BGAEMP CCCC[NH2+]C[C@@H](C)[NH+]1CCC(C)(CC)CC1 ZINC000062958744 168868062 /nfs/dbraw/zinc/86/80/62/168868062.db2.gz AUDZDUZZDSXGDC-CQSZACIVSA-N 2 1 240.435 3.277 10 0 BGAEMP CC[NH2+]C(C)(C)C[NH+]1CCC2(CCCC2)CC1 ZINC000062959925 170107746 /nfs/dbraw/zinc/10/77/46/170107746.db2.gz VPGSNWUOZHVJKU-UHFFFAOYSA-N 2 1 238.419 3.031 10 0 BGAEMP CCC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000062988572 168196433 /nfs/dbraw/zinc/19/64/33/168196433.db2.gz PCLLHBHFALQIJF-AWEZNQCLSA-N 2 1 247.386 3.046 10 0 BGAEMP CCC(=[NH2+])NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000062988573 168197356 /nfs/dbraw/zinc/19/73/56/168197356.db2.gz PCLLHBHFALQIJF-CQSZACIVSA-N 2 1 247.386 3.046 10 0 BGAEMP CC[NH+](CC)CC(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000063018719 169770037 /nfs/dbraw/zinc/77/00/37/169770037.db2.gz ZQKHTTFUMBEDPW-AWEZNQCLSA-N 2 1 234.387 3.054 10 0 BGAEMP CC(C)[N@@H+](C)CC(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000063018769 188304090 /nfs/dbraw/zinc/30/40/90/188304090.db2.gz ROKWWZLQTGARDL-AWEZNQCLSA-N 2 1 234.387 3.053 10 0 BGAEMP CC(C)[N@H+](C)CC(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000063018769 188304089 /nfs/dbraw/zinc/30/40/89/188304089.db2.gz ROKWWZLQTGARDL-AWEZNQCLSA-N 2 1 234.387 3.053 10 0 BGAEMP CC[C@H](C)[N@@H+](C)CC(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000063018831 171305228 /nfs/dbraw/zinc/30/52/28/171305228.db2.gz OPXPRYITFPZNHC-DZGCQCFKSA-N 2 1 248.414 3.443 10 0 BGAEMP CC[C@H](C)[N@H+](C)CC(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000063018831 171305227 /nfs/dbraw/zinc/30/52/27/171305227.db2.gz OPXPRYITFPZNHC-DZGCQCFKSA-N 2 1 248.414 3.443 10 0 BGAEMP CCC[N@@H+](C)CC(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000063018882 169075186 /nfs/dbraw/zinc/07/51/86/169075186.db2.gz ZLOYNABMVZGLCU-CQSZACIVSA-N 2 1 234.387 3.054 10 0 BGAEMP CCC[N@H+](C)CC(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000063018882 169075184 /nfs/dbraw/zinc/07/51/84/169075184.db2.gz ZLOYNABMVZGLCU-CQSZACIVSA-N 2 1 234.387 3.054 10 0 BGAEMP CCC[N@@H+](C)CC(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000063018883 169075797 /nfs/dbraw/zinc/07/57/97/169075797.db2.gz ZLOYNABMVZGLCU-AWEZNQCLSA-N 2 1 234.387 3.054 10 0 BGAEMP CCC[N@H+](C)CC(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000063018883 169075794 /nfs/dbraw/zinc/07/57/94/169075794.db2.gz ZLOYNABMVZGLCU-AWEZNQCLSA-N 2 1 234.387 3.054 10 0 BGAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+]2CCCC2(C)C)c1 ZINC000063065755 179188530 /nfs/dbraw/zinc/18/85/30/179188530.db2.gz PGFOQJNNXPGVMN-UKRRQHHQSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2CCCC2(C)C)c1 ZINC000063065755 179188529 /nfs/dbraw/zinc/18/85/29/179188529.db2.gz PGFOQJNNXPGVMN-UKRRQHHQSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+]2CCCC2(C)C)c1 ZINC000063065756 179203238 /nfs/dbraw/zinc/20/32/38/179203238.db2.gz PGFOQJNNXPGVMN-HIFRSBDPSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CCCC2(C)C)c1 ZINC000063065756 179203236 /nfs/dbraw/zinc/20/32/36/179203236.db2.gz PGFOQJNNXPGVMN-HIFRSBDPSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@H+]2CCCC2(C)C)c1 ZINC000063065757 179188681 /nfs/dbraw/zinc/18/86/81/179188681.db2.gz PGFOQJNNXPGVMN-DZGCQCFKSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+]2CCCC2(C)C)c1 ZINC000063065757 179188680 /nfs/dbraw/zinc/18/86/80/179188680.db2.gz PGFOQJNNXPGVMN-DZGCQCFKSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+]2CCCC2(C)C)c1 ZINC000063065758 179203403 /nfs/dbraw/zinc/20/34/03/179203403.db2.gz PGFOQJNNXPGVMN-ZFWWWQNUSA-N 2 1 246.398 3.258 10 0 BGAEMP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+]2CCCC2(C)C)c1 ZINC000063065758 179203400 /nfs/dbraw/zinc/20/34/00/179203400.db2.gz PGFOQJNNXPGVMN-ZFWWWQNUSA-N 2 1 246.398 3.258 10 0 BGAEMP CC[NH2+][C@@H](CC[N@H+]1CCCC1(C)C)C(C)(C)C ZINC000063073288 170145274 /nfs/dbraw/zinc/14/52/74/170145274.db2.gz FSZFYZGCBNRHOV-ZDUSSCGKSA-N 2 1 240.435 3.275 10 0 BGAEMP CC[NH2+][C@H](CC[N@H+]1CCCC1(C)C)C(C)(C)C ZINC000063073289 170161734 /nfs/dbraw/zinc/16/17/34/170161734.db2.gz FSZFYZGCBNRHOV-CYBMUJFWSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[NH2+]C[C@@](C)(CC)C[N@H+]1CCCC1(C)C ZINC000063073425 169263639 /nfs/dbraw/zinc/26/36/39/169263639.db2.gz GXATYBNORPJIRM-OAHLLOKOSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]C[C@](C)(CC)C[N@H+]1CCCC1(C)C ZINC000063073426 169264548 /nfs/dbraw/zinc/26/45/48/169264548.db2.gz GXATYBNORPJIRM-HNNXBMFYSA-N 2 1 240.435 3.277 10 0 BGAEMP CC[NH2+]Cc1cccc(C[N@H+]2CCCC2(C)C)c1 ZINC000063073804 170128361 /nfs/dbraw/zinc/12/83/61/170128361.db2.gz XIXABDZRKDRQOC-UHFFFAOYSA-N 2 1 246.398 3.171 10 0 BGAEMP CC[NH2+]C[C@@H](c1ccccc1)[N@H+]1CCCC1(C)C ZINC000063073981 170119729 /nfs/dbraw/zinc/11/97/29/170119729.db2.gz SPHPASYGCFNBDJ-HNNXBMFYSA-N 2 1 246.398 3.212 10 0 BGAEMP CC[NH2+]C[C@@H](c1ccccc1)[N@@H+]1CCCC1(C)C ZINC000063073981 170119727 /nfs/dbraw/zinc/11/97/27/170119727.db2.gz SPHPASYGCFNBDJ-HNNXBMFYSA-N 2 1 246.398 3.212 10 0 BGAEMP CC[NH2+]C[C@H](c1ccccc1)[N@H+]1CCCC1(C)C ZINC000063073982 170123065 /nfs/dbraw/zinc/12/30/65/170123065.db2.gz SPHPASYGCFNBDJ-OAHLLOKOSA-N 2 1 246.398 3.212 10 0 BGAEMP CC[NH2+]C[C@H](c1ccccc1)[N@@H+]1CCCC1(C)C ZINC000063073982 170123063 /nfs/dbraw/zinc/12/30/63/170123063.db2.gz SPHPASYGCFNBDJ-OAHLLOKOSA-N 2 1 246.398 3.212 10 0 BGAEMP C[C@@H](C[NH2+]C1CCCCC1)[N@H+]1CCCC1(C)C ZINC000063074006 175730804 /nfs/dbraw/zinc/73/08/04/175730804.db2.gz FDLXMKXGGAIIID-ZDUSSCGKSA-N 2 1 238.419 3.172 10 0 BGAEMP C[C@@H](C[NH2+]C1CCCCC1)[N@@H+]1CCCC1(C)C ZINC000063074006 175730800 /nfs/dbraw/zinc/73/08/00/175730800.db2.gz FDLXMKXGGAIIID-ZDUSSCGKSA-N 2 1 238.419 3.172 10 0 BGAEMP C[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000063074090 176143108 /nfs/dbraw/zinc/14/31/08/176143108.db2.gz GVPRKRFGQJIKJK-KGLIPLIRSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000063074090 176143106 /nfs/dbraw/zinc/14/31/06/176143106.db2.gz GVPRKRFGQJIKJK-KGLIPLIRSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000063074091 177137188 /nfs/dbraw/zinc/13/71/88/177137188.db2.gz GVPRKRFGQJIKJK-KBPBESRZSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000063074091 177137186 /nfs/dbraw/zinc/13/71/86/177137186.db2.gz GVPRKRFGQJIKJK-KBPBESRZSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000063074092 176123149 /nfs/dbraw/zinc/12/31/49/176123149.db2.gz GVPRKRFGQJIKJK-ZIAGYGMSSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000063074092 176123148 /nfs/dbraw/zinc/12/31/48/176123148.db2.gz GVPRKRFGQJIKJK-ZIAGYGMSSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000063074093 188304333 /nfs/dbraw/zinc/30/43/33/188304333.db2.gz GVPRKRFGQJIKJK-UONOGXRCSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000063074093 188304331 /nfs/dbraw/zinc/30/43/31/188304331.db2.gz GVPRKRFGQJIKJK-UONOGXRCSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[C@H](C(C)C)[N@H+]1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000063136503 171242435 /nfs/dbraw/zinc/24/24/35/171242435.db2.gz PTQDXQISCSSEGI-HUUCEWRRSA-N 2 1 240.435 3.131 10 0 BGAEMP CC(C)[NH2+]C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000063136769 167111983 /nfs/dbraw/zinc/11/19/83/167111983.db2.gz RZNIFRHVAFXERR-AWEZNQCLSA-N 2 1 238.419 3.029 10 0 BGAEMP CC(C)[NH2+]C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000063136772 167115529 /nfs/dbraw/zinc/11/55/29/167115529.db2.gz RZNIFRHVAFXERR-CQSZACIVSA-N 2 1 238.419 3.029 10 0 BGAEMP C[NH2+]C[C@H]1CCCC[N@H+]1[C@H](C)c1ccccc1C ZINC000063166457 173378078 /nfs/dbraw/zinc/37/80/78/173378078.db2.gz IJLVIMYXQWWLOG-HUUCEWRRSA-N 2 1 246.398 3.130 10 0 BGAEMP C[NH2+]C[C@H]1CCCC[N@@H+]1[C@H](C)c1ccccc1C ZINC000063166457 173378076 /nfs/dbraw/zinc/37/80/76/173378076.db2.gz IJLVIMYXQWWLOG-HUUCEWRRSA-N 2 1 246.398 3.130 10 0 BGAEMP C[NH2+]C[C@H]1CCCC[N@H+]1[C@@H](C)c1ccccc1C ZINC000063166458 173378059 /nfs/dbraw/zinc/37/80/59/173378059.db2.gz IJLVIMYXQWWLOG-LSDHHAIUSA-N 2 1 246.398 3.130 10 0 BGAEMP C[NH2+]C[C@H]1CCCC[N@@H+]1[C@@H](C)c1ccccc1C ZINC000063166458 173378058 /nfs/dbraw/zinc/37/80/58/173378058.db2.gz IJLVIMYXQWWLOG-LSDHHAIUSA-N 2 1 246.398 3.130 10 0 BGAEMP C[C@H]([NH3+])CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000063171638 387269743 /nfs/dbraw/zinc/26/97/43/387269743.db2.gz WWKXRDBGWPEHLI-VIFPVBQESA-N 2 1 249.745 3.037 10 0 BGAEMP C[C@@H]([NH3+])CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000063171639 387269226 /nfs/dbraw/zinc/26/92/26/387269226.db2.gz WWKXRDBGWPEHLI-SECBINFHSA-N 2 1 249.745 3.037 10 0 BGAEMP CC[C@H](C(C)C)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188193 171243235 /nfs/dbraw/zinc/24/32/35/171243235.db2.gz HDYBZQZSGIPUDA-RRFJBIMHSA-N 2 1 238.419 3.028 10 0 BGAEMP CC[C@H](C(C)C)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188193 171243233 /nfs/dbraw/zinc/24/32/33/171243233.db2.gz HDYBZQZSGIPUDA-RRFJBIMHSA-N 2 1 238.419 3.028 10 0 BGAEMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000063191852 171295318 /nfs/dbraw/zinc/29/53/18/171295318.db2.gz NFDFGKWYPHXDNI-GBJTYRQASA-N 2 1 240.435 3.403 10 0 BGAEMP CC1CCC([N@@H+](C)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070578542 168159485 /nfs/dbraw/zinc/15/94/85/168159485.db2.gz YUZBCCIKFSBGHU-FUUBYGMNSA-N 2 1 238.419 3.014 10 0 BGAEMP CC1CCC([N@@H+](C)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070578543 168160222 /nfs/dbraw/zinc/16/02/22/168160222.db2.gz YUZBCCIKFSBGHU-GQKFXUNGSA-N 2 1 238.419 3.014 10 0 BGAEMP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000070578562 176140129 /nfs/dbraw/zinc/14/01/29/176140129.db2.gz BOZUCDAPGZVSBN-KBXIAJHMSA-N 2 1 238.419 3.014 10 0 BGAEMP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2C)[C@H](C)C1 ZINC000071207950 169283340 /nfs/dbraw/zinc/28/33/40/169283340.db2.gz KPFIZCQAXUSMPP-GBJTYRQASA-N 2 1 238.419 3.028 10 0 BGAEMP C[NH2+]C1CCC(c2nc3cccc(C)c3[nH]2)CC1 ZINC000071791781 173321979 /nfs/dbraw/zinc/32/19/79/173321979.db2.gz BSWMHRMYUACYOC-UHFFFAOYSA-N 2 1 243.354 3.117 10 0 BGAEMP C[NH2+]C1CCC(c2nc3ccc(C)cc3[nH]2)CC1 ZINC000071791782 173322327 /nfs/dbraw/zinc/32/23/27/173322327.db2.gz MRQMGYNKJWRWBL-UHFFFAOYSA-N 2 1 243.354 3.117 10 0 BGAEMP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC000073656010 169208962 /nfs/dbraw/zinc/20/89/62/169208962.db2.gz QQDMGWDUOJOHSH-HOCLYGCPSA-N 2 1 246.398 3.039 10 0 BGAEMP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC000073656013 169207571 /nfs/dbraw/zinc/20/75/71/169207571.db2.gz QQDMGWDUOJOHSH-GOEBONIOSA-N 2 1 246.398 3.039 10 0 BGAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C(C)(C)C)C[C@@H]1C ZINC000073656028 188191985 /nfs/dbraw/zinc/19/19/85/188191985.db2.gz BVWDPIJIAJLLRE-QWHCGFSZSA-N 2 1 226.408 3.028 10 0 BGAEMP CC[C@H](C)[N@@H+](CC[NH3+])Cc1c(C)cc(C)cc1C ZINC000076634974 171313141 /nfs/dbraw/zinc/31/31/41/171313141.db2.gz WPSPYRMZEIMFQP-HNNXBMFYSA-N 2 1 248.414 3.171 10 0 BGAEMP CC[C@H](C)[N@H+](CC[NH3+])Cc1c(C)cc(C)cc1C ZINC000076634974 171313139 /nfs/dbraw/zinc/31/31/39/171313139.db2.gz WPSPYRMZEIMFQP-HNNXBMFYSA-N 2 1 248.414 3.171 10 0 BGAEMP CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000080461137 135374321 /nfs/dbraw/zinc/37/43/21/135374321.db2.gz CJWLPRSPEZWKIH-KGLIPLIRSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[C@@H]1CC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000080461137 135374320 /nfs/dbraw/zinc/37/43/20/135374320.db2.gz CJWLPRSPEZWKIH-KGLIPLIRSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[C@H]1CC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000080461141 135374741 /nfs/dbraw/zinc/37/47/41/135374741.db2.gz CJWLPRSPEZWKIH-KBPBESRZSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[C@H]1CC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000080461141 135374739 /nfs/dbraw/zinc/37/47/39/135374739.db2.gz CJWLPRSPEZWKIH-KBPBESRZSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000080461144 135375040 /nfs/dbraw/zinc/37/50/40/135375040.db2.gz CJWLPRSPEZWKIH-ZIAGYGMSSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000080461144 135375038 /nfs/dbraw/zinc/37/50/38/135375038.db2.gz CJWLPRSPEZWKIH-ZIAGYGMSSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[C@H]1CC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000080461149 536093984 /nfs/dbraw/zinc/09/39/84/536093984.db2.gz CJWLPRSPEZWKIH-UONOGXRCSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[C@H]1CC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000080461149 536093976 /nfs/dbraw/zinc/09/39/76/536093976.db2.gz CJWLPRSPEZWKIH-UONOGXRCSA-N 2 1 238.419 3.029 10 0 BGAEMP CC1CCC(C[N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844864 631544589 /nfs/dbraw/zinc/54/45/89/631544589.db2.gz DMLIGYHFCCNOCL-UHFFFAOYSA-N 2 1 238.419 3.014 10 0 BGAEMP C[NH2+]CCC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095075973 173350595 /nfs/dbraw/zinc/35/05/95/173350595.db2.gz NXEBQDVZQJBUJX-INIZCTEOSA-N 2 1 246.398 3.041 10 0 BGAEMP C[NH2+]CCC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095075974 173350486 /nfs/dbraw/zinc/35/04/86/173350486.db2.gz NXEBQDVZQJBUJX-MRXNPFEDSA-N 2 1 246.398 3.041 10 0 BGAEMP CC(C)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000095088377 167092649 /nfs/dbraw/zinc/09/26/49/167092649.db2.gz KRNSVWLCJIMEOI-UHFFFAOYSA-N 2 1 246.398 3.039 10 0 BGAEMP CC(C)(C)[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000096964446 188223820 /nfs/dbraw/zinc/22/38/20/188223820.db2.gz KVSZYNFYHMUZIY-HUUCEWRRSA-N 2 1 246.398 3.024 10 0 BGAEMP CC(C)(C)[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000096964447 188051028 /nfs/dbraw/zinc/05/10/28/188051028.db2.gz KVSZYNFYHMUZIY-GJZGRUSLSA-N 2 1 246.398 3.024 10 0 BGAEMP CC(C)(C)[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000096964447 188051027 /nfs/dbraw/zinc/05/10/27/188051027.db2.gz KVSZYNFYHMUZIY-GJZGRUSLSA-N 2 1 246.398 3.024 10 0 BGAEMP CC(C)(C)[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000096964448 188050955 /nfs/dbraw/zinc/05/09/55/188050955.db2.gz KVSZYNFYHMUZIY-LSDHHAIUSA-N 2 1 246.398 3.024 10 0 BGAEMP CC(C)(C)[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000096964448 188050954 /nfs/dbraw/zinc/05/09/54/188050954.db2.gz KVSZYNFYHMUZIY-LSDHHAIUSA-N 2 1 246.398 3.024 10 0 BGAEMP CCC[NH2+]CC(C)(C)C[N@H+]1CCC[C@H](C)CC1 ZINC000104346278 169255344 /nfs/dbraw/zinc/25/53/44/169255344.db2.gz IIIWKYJYLPKQIC-AWEZNQCLSA-N 2 1 240.435 3.134 10 0 BGAEMP CCC[NH2+]CC(C)(C)C[N@H+]1CCC[C@@H](C)CC1 ZINC000104346282 169255545 /nfs/dbraw/zinc/25/55/45/169255545.db2.gz IIIWKYJYLPKQIC-CQSZACIVSA-N 2 1 240.435 3.134 10 0 BGAEMP C[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCCC2)CC1 ZINC000104346302 176098003 /nfs/dbraw/zinc/09/80/03/176098003.db2.gz GMWDKEVZHLRXFB-CQSZACIVSA-N 2 1 238.419 3.031 10 0 BGAEMP C[C@H]1CCC[N@@H+](CCC[NH2+]C2CCCC2)CC1 ZINC000104346305 177098525 /nfs/dbraw/zinc/09/85/25/177098525.db2.gz GMWDKEVZHLRXFB-AWEZNQCLSA-N 2 1 238.419 3.031 10 0 BGAEMP CCC(CC)(C[NH2+]C)C[N@@H+](C)CC1CCCC1 ZINC000104347909 168325747 /nfs/dbraw/zinc/32/57/47/168325747.db2.gz IHVKOMMLPPKDAU-UHFFFAOYSA-N 2 1 240.435 3.134 10 0 BGAEMP C[C@@H]1CCC[N@@H+](CC[NH2+]CCC(C)(C)C)CC1 ZINC000104349002 176097612 /nfs/dbraw/zinc/09/76/12/176097612.db2.gz ZSZVFAQUXWXARD-CQSZACIVSA-N 2 1 240.435 3.134 10 0 BGAEMP C[C@@H]1CCC[N@H+](CC[NH2+]CCC(C)(C)C)CC1 ZINC000104349002 176097610 /nfs/dbraw/zinc/09/76/10/176097610.db2.gz ZSZVFAQUXWXARD-CQSZACIVSA-N 2 1 240.435 3.134 10 0 BGAEMP C[C@H]1CCC[N@@H+](CC[NH2+]CCC(C)(C)C)CC1 ZINC000104349004 177097052 /nfs/dbraw/zinc/09/70/52/177097052.db2.gz ZSZVFAQUXWXARD-AWEZNQCLSA-N 2 1 240.435 3.134 10 0 BGAEMP C[C@H]1CCC[N@H+](CC[NH2+]CCC(C)(C)C)CC1 ZINC000104349004 177097050 /nfs/dbraw/zinc/09/70/50/177097050.db2.gz ZSZVFAQUXWXARD-AWEZNQCLSA-N 2 1 240.435 3.134 10 0 BGAEMP C[C@@H](C[NH2+]C1CCCC1)[N@H+]1CCC[C@H](C)CC1 ZINC000104350607 177104385 /nfs/dbraw/zinc/10/43/85/177104385.db2.gz XLIHGHJXYDNMCE-KBPBESRZSA-N 2 1 238.419 3.029 10 0 BGAEMP C[C@@H](C[NH2+]C1CCCC1)[N@@H+]1CCC[C@H](C)CC1 ZINC000104350607 177104384 /nfs/dbraw/zinc/10/43/84/177104384.db2.gz XLIHGHJXYDNMCE-KBPBESRZSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@@H](C[N@@H+](C)CC1CCCC1)C(C)(C)C ZINC000104350893 170145506 /nfs/dbraw/zinc/14/55/06/170145506.db2.gz IMQMZFGJECQBFU-AWEZNQCLSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@@H](C[N@H+](C)CC1CCCC1)C(C)(C)C ZINC000104350893 170145504 /nfs/dbraw/zinc/14/55/04/170145504.db2.gz IMQMZFGJECQBFU-AWEZNQCLSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@H](C[N@@H+](C)CC1CCCC1)C(C)(C)C ZINC000104350899 170162602 /nfs/dbraw/zinc/16/26/02/170162602.db2.gz IMQMZFGJECQBFU-CQSZACIVSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@H](C[N@H+](C)CC1CCCC1)C(C)(C)C ZINC000104350899 170162600 /nfs/dbraw/zinc/16/26/00/170162600.db2.gz IMQMZFGJECQBFU-CQSZACIVSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC(C)(C)[NH2+]C[C@@H](C)[N@@H+](C)CC1CCCC1 ZINC000104353904 168299025 /nfs/dbraw/zinc/29/90/25/168299025.db2.gz SXLICPMWYKACEM-CYBMUJFWSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(C)(C)[NH2+]C[C@@H](C)[N@H+](C)CC1CCCC1 ZINC000104353904 168299023 /nfs/dbraw/zinc/29/90/23/168299023.db2.gz SXLICPMWYKACEM-CYBMUJFWSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(C)(C)[NH2+]C[C@H](C)[N@@H+](C)CC1CCCC1 ZINC000104353908 168299239 /nfs/dbraw/zinc/29/92/39/168299239.db2.gz SXLICPMWYKACEM-ZDUSSCGKSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(C)(C)[NH2+]C[C@H](C)[N@H+](C)CC1CCCC1 ZINC000104353908 168299238 /nfs/dbraw/zinc/29/92/38/168299238.db2.gz SXLICPMWYKACEM-ZDUSSCGKSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[NH2+]CCC[C@@H](C)[N@H+]1CCC[C@H](C)CC1 ZINC000104356446 169256652 /nfs/dbraw/zinc/25/66/52/169256652.db2.gz BCLMPFBPXATJAC-LSDHHAIUSA-N 2 1 240.435 3.277 10 0 BGAEMP CCC[NH2+]CCC[C@H](C)[N@H+]1CCC[C@H](C)CC1 ZINC000104356449 169258360 /nfs/dbraw/zinc/25/83/60/169258360.db2.gz BCLMPFBPXATJAC-GJZGRUSLSA-N 2 1 240.435 3.277 10 0 BGAEMP C[C@@H](CCC[NH2+]C1CC1)[N@H+]1CCC[C@H](C)CC1 ZINC000104359542 177103376 /nfs/dbraw/zinc/10/33/76/177103376.db2.gz IRHYOQWQFZZANA-KBPBESRZSA-N 2 1 238.419 3.029 10 0 BGAEMP C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C)CC2)c1 ZINC000104360943 188324350 /nfs/dbraw/zinc/32/43/50/188324350.db2.gz XKGFDIMGRXCQKS-AWEZNQCLSA-N 2 1 246.398 3.028 10 0 BGAEMP CC(C)[NH2+]CCC[C@H](C)[N@H+]1CCC[C@@H](C)CC1 ZINC000104362226 167102470 /nfs/dbraw/zinc/10/24/70/167102470.db2.gz COMYQLLJXNLMNW-CABCVRRESA-N 2 1 240.435 3.275 10 0 BGAEMP CC(C)[NH2+]CCC[C@H](C)[N@H+]1CCC[C@H](C)CC1 ZINC000104362230 167101283 /nfs/dbraw/zinc/10/12/83/167101283.db2.gz COMYQLLJXNLMNW-GJZGRUSLSA-N 2 1 240.435 3.275 10 0 BGAEMP C[C@@H]1CCC[N@@H+](CCCCC[NH2+]C2CC2)CC1 ZINC000104364686 176098634 /nfs/dbraw/zinc/09/86/34/176098634.db2.gz HUNFGSHLWNXQPQ-CQSZACIVSA-N 2 1 238.419 3.031 10 0 BGAEMP C[C@H]1CCC[N@@H+](CCCCC[NH2+]C2CC2)CC1 ZINC000104364690 177098245 /nfs/dbraw/zinc/09/82/45/177098245.db2.gz HUNFGSHLWNXQPQ-AWEZNQCLSA-N 2 1 238.419 3.031 10 0 BGAEMP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)CC1CCCC1 ZINC000104366334 167005572 /nfs/dbraw/zinc/00/55/72/167005572.db2.gz BFWUWDXLYPAMCZ-CQSZACIVSA-N 2 1 240.435 3.133 10 0 BGAEMP CC(C)[NH2+]CCCCC[N@@H+](C)CC1CCCC1 ZINC000104367612 167102214 /nfs/dbraw/zinc/10/22/14/167102214.db2.gz HDENACVSLBFWJV-UHFFFAOYSA-N 2 1 240.435 3.277 10 0 BGAEMP CC(C)[NH2+]CCC[C@@H](C)[N@@H+](C)CC1CCCC1 ZINC000104367616 167101959 /nfs/dbraw/zinc/10/19/59/167101959.db2.gz IFHJCKNRLUKLPR-CQSZACIVSA-N 2 1 240.435 3.275 10 0 BGAEMP CC(C)[NH2+]CCC[C@H](C)[N@@H+](C)CC1CCCC1 ZINC000104367617 167101810 /nfs/dbraw/zinc/10/18/10/167101810.db2.gz IFHJCKNRLUKLPR-AWEZNQCLSA-N 2 1 240.435 3.275 10 0 BGAEMP CC[C@H](C)C[C@@](CC)(CN)[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104410513 171296413 /nfs/dbraw/zinc/29/64/13/171296413.db2.gz RPCMSBSPBLHIBH-AJNGGQMLSA-N 2 1 240.435 3.118 10 0 BGAEMP CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000104421663 170141100 /nfs/dbraw/zinc/14/11/00/170141100.db2.gz UEZLQSHHMZDADA-UONOGXRCSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000104421667 170158530 /nfs/dbraw/zinc/15/85/30/170158530.db2.gz UEZLQSHHMZDADA-ZIAGYGMSSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000104421669 170141195 /nfs/dbraw/zinc/14/11/95/170141195.db2.gz UEZLQSHHMZDADA-KBPBESRZSA-N 2 1 240.435 3.133 10 0 BGAEMP CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000104421674 170159602 /nfs/dbraw/zinc/15/96/02/170159602.db2.gz UEZLQSHHMZDADA-KGLIPLIRSA-N 2 1 240.435 3.133 10 0 BGAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]CC1(C)CCCC1 ZINC000104441147 173006868 /nfs/dbraw/zinc/00/68/68/173006868.db2.gz JSAJVKTUZPZTIA-AWEZNQCLSA-N 2 1 238.419 3.031 10 0 BGAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]CC1(C)CCCC1 ZINC000104441149 173004343 /nfs/dbraw/zinc/00/43/43/173004343.db2.gz JSAJVKTUZPZTIA-CQSZACIVSA-N 2 1 238.419 3.031 10 0 BGAEMP CCC(CC)[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000104443250 168399578 /nfs/dbraw/zinc/39/95/78/168399578.db2.gz PLIOHKPXFZOQML-HIFRSBDPSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC(CC)[C@@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000104443257 168399628 /nfs/dbraw/zinc/39/96/28/168399628.db2.gz PLIOHKPXFZOQML-UKRRQHHQSA-N 2 1 240.435 3.275 10 0 BGAEMP CCC[NH2+]C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000111698979 169262574 /nfs/dbraw/zinc/26/25/74/169262574.db2.gz JSYHZIVORDBFER-AWEZNQCLSA-N 2 1 238.419 3.031 10 0 BGAEMP CCC[NH2+]C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000111698981 169264688 /nfs/dbraw/zinc/26/46/88/169264688.db2.gz JSYHZIVORDBFER-CQSZACIVSA-N 2 1 238.419 3.031 10 0 BGAEMP CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000111707033 170141415 /nfs/dbraw/zinc/14/14/15/170141415.db2.gz WSBMGKAOFWGJKE-UONOGXRCSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000111707035 170158378 /nfs/dbraw/zinc/15/83/78/170158378.db2.gz WSBMGKAOFWGJKE-ZIAGYGMSSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000111707037 170141256 /nfs/dbraw/zinc/14/12/56/170141256.db2.gz WSBMGKAOFWGJKE-KBPBESRZSA-N 2 1 238.419 3.029 10 0 BGAEMP CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000111707039 170159512 /nfs/dbraw/zinc/15/95/12/170159512.db2.gz WSBMGKAOFWGJKE-KGLIPLIRSA-N 2 1 238.419 3.029 10 0 BGAEMP CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC000111890915 169275550 /nfs/dbraw/zinc/27/55/50/169275550.db2.gz XJARQLHRDAKPHJ-LSDHHAIUSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC000111890918 169286253 /nfs/dbraw/zinc/28/62/53/169286253.db2.gz XJARQLHRDAKPHJ-HUUCEWRRSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC000111890922 169275796 /nfs/dbraw/zinc/27/57/96/169275796.db2.gz XJARQLHRDAKPHJ-GJZGRUSLSA-N 2 1 240.435 3.133 10 0 BGAEMP CCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC000111890926 169287417 /nfs/dbraw/zinc/28/74/17/169287417.db2.gz XJARQLHRDAKPHJ-CABCVRRESA-N 2 1 240.435 3.133 10 0 BGAEMP CC[C@H]([NH3+])CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000113452539 354985668 /nfs/dbraw/zinc/98/56/68/354985668.db2.gz OHSLJLQPZHLTCK-JTQLQIEISA-N 2 1 249.745 3.037 10 0 BGAEMP CC[C@@H]([NH3+])CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000113452542 354985532 /nfs/dbraw/zinc/98/55/32/354985532.db2.gz OHSLJLQPZHLTCK-SNVBAGLBSA-N 2 1 249.745 3.037 10 0 BGAEMP CCc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000123706355 171794529 /nfs/dbraw/zinc/79/45/29/171794529.db2.gz ZJSPBCNIQGBELC-MRXNPFEDSA-N 2 1 248.414 3.054 10 0 BGAEMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCCCCC1 ZINC000128239109 410195316 /nfs/dbraw/zinc/19/53/16/410195316.db2.gz XMVIJMYVEAEQNT-ZDUSSCGKSA-N 2 1 226.408 3.029 10 0 BGAEMP CC(C)([NH3+])CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000129668895 188222398 /nfs/dbraw/zinc/22/23/98/188222398.db2.gz XNFQCFFNXXLDJL-UHFFFAOYSA-N 2 1 249.745 3.037 10 0 BGAEMP C[C@@H](CC[NH3+])Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000134275292 343193892 /nfs/dbraw/zinc/19/38/92/343193892.db2.gz HFDRHQJQEHOXCM-VIFPVBQESA-N 2 1 249.745 3.037 10 0 BGAEMP C[C@H](CC[NH3+])Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000134275310 343193896 /nfs/dbraw/zinc/19/38/96/343193896.db2.gz HFDRHQJQEHOXCM-SECBINFHSA-N 2 1 249.745 3.037 10 0 BGAEMP Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000181565233 538960637 /nfs/dbraw/zinc/96/06/37/538960637.db2.gz OIMBUVDLFQOUMZ-GJZGRUSLSA-N 2 1 246.398 3.130 10 0 BGAEMP Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000181565266 538960851 /nfs/dbraw/zinc/96/08/51/538960851.db2.gz OIMBUVDLFQOUMZ-LSDHHAIUSA-N 2 1 246.398 3.130 10 0 BGAEMP CC(C)=CC[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000219437866 134285099 /nfs/dbraw/zinc/28/50/99/134285099.db2.gz FBXSLIPKRYKJMK-UHFFFAOYSA-N 2 1 246.398 3.064 10 0 BGAEMP CC[C@@H]1CC[N@@H+](Cc2ccccc2)CC[C@@H](C)[NH2+]1 ZINC000219630834 342881153 /nfs/dbraw/zinc/88/11/53/342881153.db2.gz KYKZVLXSJKPHEJ-GDBMZVCRSA-N 2 1 246.398 3.039 10 0 BGAEMP CC[C@H]1CC[N@@H+](Cc2ccccc2)CC[C@@H](C)[NH2+]1 ZINC000219630908 350134414 /nfs/dbraw/zinc/13/44/14/350134414.db2.gz KYKZVLXSJKPHEJ-ZBFHGGJFSA-N 2 1 246.398 3.039 10 0 BGAEMP Cc1cc(C)c(C[N@H+](C)CC(C)(C)C[NH3+])cc1C ZINC000220324963 134303098 /nfs/dbraw/zinc/30/30/98/134303098.db2.gz SUERWBFZOGYZGS-UHFFFAOYSA-N 2 1 248.414 3.029 10 0 BGAEMP CC(C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000220359426 134306018 /nfs/dbraw/zinc/30/60/18/134306018.db2.gz ISYBYWKVPFPOME-CQSZACIVSA-N 2 1 238.419 3.029 10 0 BGAEMP CC(C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000220359494 535086753 /nfs/dbraw/zinc/08/67/53/535086753.db2.gz ISYBYWKVPFPOME-AWEZNQCLSA-N 2 1 238.419 3.029 10 0 BGAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000227732688 535063872 /nfs/dbraw/zinc/06/38/72/535063872.db2.gz OQAPYBHJWPKIOS-RBSFLKMASA-N 2 1 240.435 3.118 10 0 BGAEMP CC(C)[N@@H+](C)CCC[NH2+]CC1CCC(C)CC1 ZINC000231329530 357612961 /nfs/dbraw/zinc/61/29/61/357612961.db2.gz PRKQWTBJBKAHLQ-UHFFFAOYSA-N 2 1 240.435 3.133 10 0 BGAEMP C[N@@H+](CC1CCCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000231459841 641175639 /nfs/dbraw/zinc/17/56/39/641175639.db2.gz QBNGJYGCEJZVTE-OAHLLOKOSA-N 2 1 238.419 3.031 10 0 BGAEMP C[N@@H+](CC1CCCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000231459869 636941630 /nfs/dbraw/zinc/94/16/30/636941630.db2.gz QBNGJYGCEJZVTE-HNNXBMFYSA-N 2 1 238.419 3.031 10 0 BGAEMP CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000232744460 353757829 /nfs/dbraw/zinc/75/78/29/353757829.db2.gz JXALZDLFZLEEJS-WWGRRREGSA-N 2 1 246.398 3.150 10 0 BGAEMP CC(C)c1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000232744460 353757827 /nfs/dbraw/zinc/75/78/27/353757827.db2.gz JXALZDLFZLEEJS-WWGRRREGSA-N 2 1 246.398 3.150 10 0 BGAEMP [NH3+]CCCCCCNc1[nH+]ccc2ccccc21 ZINC000236169454 631562418 /nfs/dbraw/zinc/56/24/18/631562418.db2.gz LOKMIGNCFPZICV-UHFFFAOYSA-N 2 1 243.354 3.166 10 0 BGAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C(C)(C)C)C[C@H]1C ZINC000242437272 520596287 /nfs/dbraw/zinc/59/62/87/520596287.db2.gz BVWDPIJIAJLLRE-CHWSQXEVSA-N 2 1 226.408 3.028 10 0 BGAEMP CCCC[N@H+]1CC[C@H]([NH2+]C(C)(C)C)C[C@H]1C ZINC000242437273 520595457 /nfs/dbraw/zinc/59/54/57/520595457.db2.gz BVWDPIJIAJLLRE-OLZOCXBDSA-N 2 1 226.408 3.028 10 0 BGAEMP CCCC[N@H+]1CC[C@H]([NH+]2CCCCC2)C[C@H]1C ZINC000242723004 520597423 /nfs/dbraw/zinc/59/74/23/520597423.db2.gz YAXVUAODHRFQGW-CABCVRRESA-N 2 1 238.419 3.125 10 0 BGAEMP CCCC[N@H+]1CC[C@@H]([NH+]2CCCCC2)C[C@H]1C ZINC000242723006 520596185 /nfs/dbraw/zinc/59/61/85/520596185.db2.gz YAXVUAODHRFQGW-HUUCEWRRSA-N 2 1 238.419 3.125 10 0 BGAEMP C[N@@H+](Cc1ccccc1)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000250148841 362789397 /nfs/dbraw/zinc/78/93/97/362789397.db2.gz AUKFMNHOJFJCOL-CVEARBPZSA-N 2 1 246.398 3.169 10 0 BGAEMP C[N@H+](Cc1ccccc1)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000250148841 362789393 /nfs/dbraw/zinc/78/93/93/362789393.db2.gz AUKFMNHOJFJCOL-CVEARBPZSA-N 2 1 246.398 3.169 10 0 BGAEMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000250148844 362789483 /nfs/dbraw/zinc/78/94/83/362789483.db2.gz AUKFMNHOJFJCOL-HZPDHXFCSA-N 2 1 246.398 3.169 10 0 BGAEMP C[N@H+](Cc1ccccc1)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000250148844 362789480 /nfs/dbraw/zinc/78/94/80/362789480.db2.gz AUKFMNHOJFJCOL-HZPDHXFCSA-N 2 1 246.398 3.169 10 0 BGAEMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@H]2CC[NH3+])C1 ZINC000251870636 135080194 /nfs/dbraw/zinc/08/01/94/135080194.db2.gz QNCKZXIMMJZWEF-ILXRZTDVSA-N 2 1 238.419 3.016 10 0 BGAEMP C[C@@H]1CCC[C@@H](C[N@H+]2CCCC[C@H]2CC[NH3+])C1 ZINC000251870638 135080100 /nfs/dbraw/zinc/08/01/00/135080100.db2.gz QNCKZXIMMJZWEF-KFWWJZLASA-N 2 1 238.419 3.016 10 0 BGAEMP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC000252475019 519862421 /nfs/dbraw/zinc/86/24/21/519862421.db2.gz QQDMGWDUOJOHSH-GDBMZVCRSA-N 2 1 246.398 3.039 10 0 BGAEMP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC000252475020 519864031 /nfs/dbraw/zinc/86/40/31/519864031.db2.gz QQDMGWDUOJOHSH-ZBFHGGJFSA-N 2 1 246.398 3.039 10 0 BGAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000252688541 535063948 /nfs/dbraw/zinc/06/39/48/535063948.db2.gz OQAPYBHJWPKIOS-QLFBSQMISA-N 2 1 240.435 3.118 10 0 BGAEMP CC1(C)C[N@@H+](CCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000261546202 135238429 /nfs/dbraw/zinc/23/84/29/135238429.db2.gz GQDLYCBCJYZIAR-AWEZNQCLSA-N 2 1 238.419 3.016 10 0 BGAEMP CC1(C)C[N@@H+](CCC2CCCCC2)CC[C@H]1[NH3+] ZINC000261546203 135238499 /nfs/dbraw/zinc/23/84/99/135238499.db2.gz GQDLYCBCJYZIAR-CQSZACIVSA-N 2 1 238.419 3.016 10 0 BGAEMP CC1(C)C[N@@H+](CC2CCCCCC2)CC[C@@H]1[NH3+] ZINC000261547293 135240220 /nfs/dbraw/zinc/24/02/20/135240220.db2.gz HWXSAHRWWSRCEH-AWEZNQCLSA-N 2 1 238.419 3.016 10 0 BGAEMP CC1(C)C[N@@H+](CC2CCCCCC2)CC[C@H]1[NH3+] ZINC000261547294 135240226 /nfs/dbraw/zinc/24/02/26/135240226.db2.gz HWXSAHRWWSRCEH-CQSZACIVSA-N 2 1 238.419 3.016 10 0 BGAEMP CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261549760 535374354 /nfs/dbraw/zinc/37/43/54/535374354.db2.gz JXALZDLFZLEEJS-DVOMOZLQSA-N 2 1 246.398 3.150 10 0 BGAEMP CC(C)c1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261549760 535374353 /nfs/dbraw/zinc/37/43/53/535374353.db2.gz JXALZDLFZLEEJS-DVOMOZLQSA-N 2 1 246.398 3.150 10 0 BGAEMP CC(C)c1ccc([C@H](C)[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261549761 535374249 /nfs/dbraw/zinc/37/42/49/535374249.db2.gz JXALZDLFZLEEJS-HEHGZKQESA-N 2 1 246.398 3.150 10 0 BGAEMP CC(C)c1ccc([C@H](C)[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261549761 535374248 /nfs/dbraw/zinc/37/42/48/535374248.db2.gz JXALZDLFZLEEJS-HEHGZKQESA-N 2 1 246.398 3.150 10 0 BGAEMP CC(C)c1ccc([C@H](C)[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000261549762 535374362 /nfs/dbraw/zinc/37/43/62/535374362.db2.gz JXALZDLFZLEEJS-XEZPLFJOSA-N 2 1 246.398 3.150 10 0 BGAEMP CC(C)c1ccc([C@H](C)[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000261549762 535374360 /nfs/dbraw/zinc/37/43/60/535374360.db2.gz JXALZDLFZLEEJS-XEZPLFJOSA-N 2 1 246.398 3.150 10 0 BGAEMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261570198 536063914 /nfs/dbraw/zinc/06/39/14/536063914.db2.gz KETWXXNINMKFNH-CABCVRRESA-N 2 1 246.398 3.197 10 0 BGAEMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261570199 135211997 /nfs/dbraw/zinc/21/19/97/135211997.db2.gz KETWXXNINMKFNH-GJZGRUSLSA-N 2 1 246.398 3.197 10 0 BGAEMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261570201 536063470 /nfs/dbraw/zinc/06/34/70/536063470.db2.gz KETWXXNINMKFNH-HUUCEWRRSA-N 2 1 246.398 3.197 10 0 BGAEMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261570204 135212141 /nfs/dbraw/zinc/21/21/41/135212141.db2.gz KETWXXNINMKFNH-LSDHHAIUSA-N 2 1 246.398 3.197 10 0 BGAEMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261579967 135220359 /nfs/dbraw/zinc/22/03/59/135220359.db2.gz PTRDMUNXOLHRPY-DZGCQCFKSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261579968 135220733 /nfs/dbraw/zinc/22/07/33/135220733.db2.gz PTRDMUNXOLHRPY-HIFRSBDPSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261579969 135220499 /nfs/dbraw/zinc/22/04/99/135220499.db2.gz PTRDMUNXOLHRPY-UKRRQHHQSA-N 2 1 246.398 3.115 10 0 BGAEMP Cc1cccc([C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261579970 135220313 /nfs/dbraw/zinc/22/03/13/135220313.db2.gz PTRDMUNXOLHRPY-ZFWWWQNUSA-N 2 1 246.398 3.115 10 0 BGAEMP CCC(CC)(CC)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261765473 135250651 /nfs/dbraw/zinc/25/06/51/135250651.db2.gz RQTOFTNAWDBVNS-CYBMUJFWSA-N 2 1 240.435 3.262 10 0 BGAEMP CCC(CC)(CC)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261765475 135251073 /nfs/dbraw/zinc/25/10/73/135251073.db2.gz RQTOFTNAWDBVNS-ZDUSSCGKSA-N 2 1 240.435 3.262 10 0 BGAEMP CCCC[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000306560300 360435644 /nfs/dbraw/zinc/43/56/44/360435644.db2.gz RNOGZEWKVPZZQC-HNNXBMFYSA-N 2 1 234.387 3.026 10 0 BGAEMP CCCC[C@@](C)(C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000306560300 360435642 /nfs/dbraw/zinc/43/56/42/360435642.db2.gz RNOGZEWKVPZZQC-HNNXBMFYSA-N 2 1 234.387 3.026 10 0 BGAEMP CCCC[C@](C)(C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000306560303 360435872 /nfs/dbraw/zinc/43/58/72/360435872.db2.gz RNOGZEWKVPZZQC-OAHLLOKOSA-N 2 1 234.387 3.026 10 0 BGAEMP CCCC[C@](C)(C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000306560303 360435868 /nfs/dbraw/zinc/43/58/68/360435868.db2.gz RNOGZEWKVPZZQC-OAHLLOKOSA-N 2 1 234.387 3.026 10 0 BGAEMP CC[C@H](C)[N@@H+](CCCC[NH3+])Cc1ccccc1 ZINC000307012659 351420254 /nfs/dbraw/zinc/42/02/54/351420254.db2.gz LCZDRCOZAGZBDI-AWEZNQCLSA-N 2 1 234.387 3.026 10 0 BGAEMP CC[C@@H](C)[N@@H+](CCCC[NH3+])Cc1ccccc1 ZINC000307012660 351420420 /nfs/dbraw/zinc/42/04/20/351420420.db2.gz LCZDRCOZAGZBDI-CQSZACIVSA-N 2 1 234.387 3.026 10 0 BGAEMP CC[N@@H+](Cc1ccccc1)[C@](C)(CC)[C@H](C)[NH3+] ZINC000307158968 372089897 /nfs/dbraw/zinc/08/98/97/372089897.db2.gz BYFQPBMAGHTTNV-DZGCQCFKSA-N 2 1 234.387 3.024 10 0 BGAEMP CC[N@@H+](Cc1ccccc1)[C@@](C)(CC)[C@@H](C)[NH3+] ZINC000307158969 372088887 /nfs/dbraw/zinc/08/88/87/372088887.db2.gz BYFQPBMAGHTTNV-HIFRSBDPSA-N 2 1 234.387 3.024 10 0 BGAEMP CC[N@@H+](Cc1ccccc1)[C@](C)(CC)[C@@H](C)[NH3+] ZINC000307158970 372089525 /nfs/dbraw/zinc/08/95/25/372089525.db2.gz BYFQPBMAGHTTNV-UKRRQHHQSA-N 2 1 234.387 3.024 10 0 BGAEMP CC[N@@H+](Cc1ccccc1)[C@@](C)(CC)[C@H](C)[NH3+] ZINC000307158971 372089845 /nfs/dbraw/zinc/08/98/45/372089845.db2.gz BYFQPBMAGHTTNV-ZFWWWQNUSA-N 2 1 234.387 3.024 10 0 BGAEMP CCC[N@@H+](CC)CC[NH2+][C@H](CC)C(C)(C)C ZINC000309992044 388470754 /nfs/dbraw/zinc/47/07/54/388470754.db2.gz BGWQSYJUJSBTGF-CYBMUJFWSA-N 2 1 228.424 3.133 10 0 BGAEMP CCC[N@H+](CC)CC[NH2+][C@H](CC)C(C)(C)C ZINC000309992044 388470751 /nfs/dbraw/zinc/47/07/51/388470751.db2.gz BGWQSYJUJSBTGF-CYBMUJFWSA-N 2 1 228.424 3.133 10 0 BGAEMP CCC[N@@H+](CC)CC[NH2+][C@@H](CC)C(C)(C)C ZINC000309992045 388471190 /nfs/dbraw/zinc/47/11/90/388471190.db2.gz BGWQSYJUJSBTGF-ZDUSSCGKSA-N 2 1 228.424 3.133 10 0 BGAEMP CCC[N@H+](CC)CC[NH2+][C@@H](CC)C(C)(C)C ZINC000309992045 388471189 /nfs/dbraw/zinc/47/11/89/388471189.db2.gz BGWQSYJUJSBTGF-ZDUSSCGKSA-N 2 1 228.424 3.133 10 0 BGAEMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000310194314 168157207 /nfs/dbraw/zinc/15/72/07/168157207.db2.gz QSPQETAVDSROQG-SHARSMKWSA-N 2 1 240.435 3.131 10 0 BGAEMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000310194314 168157205 /nfs/dbraw/zinc/15/72/05/168157205.db2.gz QSPQETAVDSROQG-SHARSMKWSA-N 2 1 240.435 3.131 10 0 BGAEMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000310194315 168157163 /nfs/dbraw/zinc/15/71/63/168157163.db2.gz QSPQETAVDSROQG-SLTAFYQDSA-N 2 1 240.435 3.131 10 0 BGAEMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000310194315 168157162 /nfs/dbraw/zinc/15/71/62/168157162.db2.gz QSPQETAVDSROQG-SLTAFYQDSA-N 2 1 240.435 3.131 10 0 BGAEMP CCCCCC[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310333508 632724957 /nfs/dbraw/zinc/72/49/57/632724957.db2.gz ARNDNSRLAXLAMG-QLFBSQMISA-N 2 1 240.435 3.262 10 0 BGAEMP C[C@H](CCCC[NH3+])Nc1[nH+]ccc2ccccc21 ZINC000381027203 373762918 /nfs/dbraw/zinc/76/29/18/373762918.db2.gz RDUDNNRNIOGKQR-GFCCVEGCSA-N 2 1 243.354 3.164 10 0 BGAEMP C[C@@H](CCCC[NH3+])Nc1[nH+]ccc2ccccc21 ZINC000381027205 373762741 /nfs/dbraw/zinc/76/27/41/373762741.db2.gz RDUDNNRNIOGKQR-LBPRGKRZSA-N 2 1 243.354 3.164 10 0 BGAEMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C(C)(C)C ZINC000381311670 367380076 /nfs/dbraw/zinc/38/00/76/367380076.db2.gz AJOUUQDBDROXFS-CYBMUJFWSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C(C)(C)C ZINC000381311672 367379727 /nfs/dbraw/zinc/37/97/27/367379727.db2.gz AJOUUQDBDROXFS-ZDUSSCGKSA-N 2 1 228.424 3.131 10 0 BGAEMP C[C@@H]([NH3+])[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000381337332 356491086 /nfs/dbraw/zinc/49/10/86/356491086.db2.gz DHLZFJIRNKLENO-BDAKNGLRSA-N 2 1 249.745 3.036 10 0 BGAEMP C[C@@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@H](C)[NH3+] ZINC000381337561 345386773 /nfs/dbraw/zinc/38/67/73/345386773.db2.gz DHLZFJIRNKLENO-DTWKUNHWSA-N 2 1 249.745 3.036 10 0 BGAEMP C[C@H]([NH3+])[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000381337562 345386476 /nfs/dbraw/zinc/38/64/76/345386476.db2.gz DHLZFJIRNKLENO-IUCAKERBSA-N 2 1 249.745 3.036 10 0 BGAEMP C[C@@H]([NH3+])[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000381337563 345386711 /nfs/dbraw/zinc/38/67/11/345386711.db2.gz DHLZFJIRNKLENO-RKDXNWHRSA-N 2 1 249.745 3.036 10 0 BGAEMP CC[C@@H]([NH2+][C@H](C)C[NH+](CC)CC)C(C)(C)C ZINC000381382291 538999801 /nfs/dbraw/zinc/99/98/01/538999801.db2.gz LPISRHJJXKUGFF-CHWSQXEVSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@H]([NH2+][C@H](C)C[NH+](CC)CC)C(C)(C)C ZINC000381382292 538999723 /nfs/dbraw/zinc/99/97/23/538999723.db2.gz LPISRHJJXKUGFF-OLZOCXBDSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@@H]([NH2+][C@@H](C)C[NH+](CC)CC)C(C)(C)C ZINC000381382293 538999625 /nfs/dbraw/zinc/99/96/25/538999625.db2.gz LPISRHJJXKUGFF-QWHCGFSZSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@H]([NH2+][C@@H](C)C[NH+](CC)CC)C(C)(C)C ZINC000381382294 538999864 /nfs/dbraw/zinc/99/98/64/538999864.db2.gz LPISRHJJXKUGFF-STQMWFEESA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C(C)(C)C ZINC000381421779 367400242 /nfs/dbraw/zinc/40/02/42/367400242.db2.gz XMWACLDUMCHVAF-CHWSQXEVSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C(C)(C)C ZINC000381421783 367400580 /nfs/dbraw/zinc/40/05/80/367400580.db2.gz XMWACLDUMCHVAF-OLZOCXBDSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](CC)C(C)(C)C ZINC000381544375 367427664 /nfs/dbraw/zinc/42/76/64/367427664.db2.gz JLJIORICVAVLEJ-CHWSQXEVSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](CC)C(C)(C)C ZINC000381544375 367427659 /nfs/dbraw/zinc/42/76/59/367427659.db2.gz JLJIORICVAVLEJ-CHWSQXEVSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](CC)C(C)(C)C ZINC000381544379 367427339 /nfs/dbraw/zinc/42/73/39/367427339.db2.gz JLJIORICVAVLEJ-OLZOCXBDSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](CC)C(C)(C)C ZINC000381544379 367427334 /nfs/dbraw/zinc/42/73/34/367427334.db2.gz JLJIORICVAVLEJ-OLZOCXBDSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@@H]([NH2+]CC[N@H+](C)[C@@H](C)CC)C(C)(C)C ZINC000381544381 367427591 /nfs/dbraw/zinc/42/75/91/367427591.db2.gz JLJIORICVAVLEJ-QWHCGFSZSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@@H]([NH2+]CC[N@@H+](C)[C@@H](C)CC)C(C)(C)C ZINC000381544381 367427583 /nfs/dbraw/zinc/42/75/83/367427583.db2.gz JLJIORICVAVLEJ-QWHCGFSZSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](CC)C(C)(C)C ZINC000381544385 346315961 /nfs/dbraw/zinc/31/59/61/346315961.db2.gz JLJIORICVAVLEJ-STQMWFEESA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](CC)C(C)(C)C ZINC000381544385 346315958 /nfs/dbraw/zinc/31/59/58/346315958.db2.gz JLJIORICVAVLEJ-STQMWFEESA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000385713230 367857343 /nfs/dbraw/zinc/85/73/43/367857343.db2.gz HWXGLPHUELVQPG-FVQBIDKESA-N 2 1 246.398 3.054 10 0 BGAEMP C[C@H]1C[C@H](C)[N@@H+](CCCCCCCC[NH3+])C1 ZINC000390607253 358142789 /nfs/dbraw/zinc/14/27/89/358142789.db2.gz YFLMXXQBYPIYEZ-KBPBESRZSA-N 2 1 226.408 3.016 10 0 BGAEMP C[C@@H]1C[C@H](C)[N@@H+](CCCCCCCC[NH3+])C1 ZINC000390607254 358142504 /nfs/dbraw/zinc/14/25/04/358142504.db2.gz YFLMXXQBYPIYEZ-KGLIPLIRSA-N 2 1 226.408 3.016 10 0 BGAEMP C[C@@H]1C[C@H](C)C[N@@H+]1CCCCCCCC[NH3+] ZINC000390607256 358142930 /nfs/dbraw/zinc/14/29/30/358142930.db2.gz YFLMXXQBYPIYEZ-UONOGXRCSA-N 2 1 226.408 3.016 10 0 BGAEMP C[C@@H]1C[C@@H](C)[N@@H+](CCCCCCCC[NH3+])C1 ZINC000390607258 358142900 /nfs/dbraw/zinc/14/29/00/358142900.db2.gz YFLMXXQBYPIYEZ-ZIAGYGMSSA-N 2 1 226.408 3.016 10 0 BGAEMP CC[C@@H]([NH2+]CC[N@@H+](CC)C(C)C)C(C)(C)C ZINC000390644979 323188384 /nfs/dbraw/zinc/18/83/84/323188384.db2.gz NSJMXXPYDATELR-CYBMUJFWSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@@H]([NH2+]CC[N@H+](CC)C(C)C)C(C)(C)C ZINC000390644979 323188383 /nfs/dbraw/zinc/18/83/83/323188383.db2.gz NSJMXXPYDATELR-CYBMUJFWSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@H]([NH2+]CC[N@@H+](CC)C(C)C)C(C)(C)C ZINC000390644980 259396421 /nfs/dbraw/zinc/39/64/21/259396421.db2.gz NSJMXXPYDATELR-ZDUSSCGKSA-N 2 1 228.424 3.131 10 0 BGAEMP CC[C@H]([NH2+]CC[N@H+](CC)C(C)C)C(C)(C)C ZINC000390644980 259396420 /nfs/dbraw/zinc/39/64/20/259396420.db2.gz NSJMXXPYDATELR-ZDUSSCGKSA-N 2 1 228.424 3.131 10 0 BGAEMP Cc1ccc([C@H](C)[NH2+][C@H]2CCCN[C@H]2C)c(C)c1 ZINC000396571969 386780517 /nfs/dbraw/zinc/78/05/17/386780517.db2.gz OGUIEBIJGRKPDV-DZKIICNBSA-N 2 1 246.398 3.095 10 0 BGAEMP Cc1ccc([C@H](C)[NH2+][C@H]2CCCN[C@@H]2C)c(C)c1 ZINC000396571971 386781371 /nfs/dbraw/zinc/78/13/71/386781371.db2.gz OGUIEBIJGRKPDV-LZWOXQAQSA-N 2 1 246.398 3.095 10 0 BGAEMP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN[C@H]2C)c(C)c1 ZINC000396571973 386781184 /nfs/dbraw/zinc/78/11/84/386781184.db2.gz OGUIEBIJGRKPDV-OFQRWUPVSA-N 2 1 246.398 3.095 10 0 BGAEMP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN[C@@H]2C)c(C)c1 ZINC000396571974 386781224 /nfs/dbraw/zinc/78/12/24/386781224.db2.gz OGUIEBIJGRKPDV-SQWLQELKSA-N 2 1 246.398 3.095 10 0 BGAEMP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000396728752 411240835 /nfs/dbraw/zinc/24/08/35/411240835.db2.gz ZYLOCBYTYILIBF-BMFZPTHFSA-N 2 1 246.398 3.114 10 0 BGAEMP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000396728753 411240559 /nfs/dbraw/zinc/24/05/59/411240559.db2.gz ZYLOCBYTYILIBF-BPUTZDHNSA-N 2 1 246.398 3.114 10 0 BGAEMP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000396728754 411240514 /nfs/dbraw/zinc/24/05/14/411240514.db2.gz ZYLOCBYTYILIBF-IMJJTQAJSA-N 2 1 246.398 3.114 10 0 BGAEMP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000396728755 411240450 /nfs/dbraw/zinc/24/04/50/411240450.db2.gz ZYLOCBYTYILIBF-KBMXLJTQSA-N 2 1 246.398 3.114 10 0 BGAEMP CCCC[NH2+]CC[C@@H]1CCCC[N@H+]1CCCC ZINC000584627087 358296670 /nfs/dbraw/zinc/29/66/70/358296670.db2.gz GQZUEXFCJYJPKI-HNNXBMFYSA-N 2 1 240.435 3.421 10 0 BGAEMP CCCC[NH2+]CC[C@H]1CCCC[N@H+]1CCCC ZINC000584627098 358296677 /nfs/dbraw/zinc/29/66/77/358296677.db2.gz GQZUEXFCJYJPKI-OAHLLOKOSA-N 2 1 240.435 3.421 10 0 BGAEMP CC(C)[C@H]([NH3+])CCNc1[nH+]ccc2ccccc21 ZINC000630519106 364202038 /nfs/dbraw/zinc/20/20/38/364202038.db2.gz NZTGRMXMGMPKGX-CQSZACIVSA-N 2 1 243.354 3.020 10 0 BGAEMP CCC[N@@H+](CC)Cc1cc(Cl)cc(C[NH3+])c1 ZINC000669379904 537982742 /nfs/dbraw/zinc/98/27/42/537982742.db2.gz MKPVXMYJCODNOO-UHFFFAOYSA-N 2 1 240.778 3.031 10 0 BGAEMP CC[N@H+]1CC[C@@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000711955151 582458092 /nfs/dbraw/zinc/45/80/92/582458092.db2.gz MXMNLPZPRAQSTP-JVWICGRDSA-N 2 1 238.419 3.014 10 0 BGAEMP CC[N@H+]1CC[C@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000711955153 582458446 /nfs/dbraw/zinc/45/84/46/582458446.db2.gz MXMNLPZPRAQSTP-OWYJLGKBSA-N 2 1 238.419 3.014 10 0 BGAEMP CCC(C)(C)C1CCC2(CC1)[C@H]([NH3+])CC[N@@H+]2C ZINC000711977637 537784701 /nfs/dbraw/zinc/78/47/01/537784701.db2.gz QCBMGRIMHMIDRV-JVWICGRDSA-N 2 1 238.419 3.014 10 0 BGAEMP CCC(C)(C)C1CCC2(CC1)[C@@H]([NH3+])CC[N@@H+]2C ZINC000711977638 537784818 /nfs/dbraw/zinc/78/48/18/537784818.db2.gz QCBMGRIMHMIDRV-OWYJLGKBSA-N 2 1 238.419 3.014 10 0 BGAEMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCCCC1(C)C ZINC000719261056 712802098 /nfs/dbraw/zinc/80/20/98/712802098.db2.gz OXCBFWYEVOKCKV-AWEZNQCLSA-N 2 1 249.402 3.140 10 0 BGAEMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCCCC1(C)C ZINC000719261058 712801919 /nfs/dbraw/zinc/80/19/19/712801919.db2.gz OXCBFWYEVOKCKV-CQSZACIVSA-N 2 1 249.402 3.140 10 0 BGAEMP C[NH+]1CCC([NH2+][C@H]2CCCCCC2(C)C)CC1 ZINC000719294295 712803633 /nfs/dbraw/zinc/80/36/33/712803633.db2.gz TYVKFEZMEQRMEB-AWEZNQCLSA-N 2 1 238.419 3.029 10 0 BGAEMP C[NH+]1CCC([NH2+][C@@H]2CCCCCC2(C)C)CC1 ZINC000719294298 712803623 /nfs/dbraw/zinc/80/36/23/712803623.db2.gz TYVKFEZMEQRMEB-CQSZACIVSA-N 2 1 238.419 3.029 10 0 BGAEMP CCCCCC[N@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757130941 582504863 /nfs/dbraw/zinc/50/48/63/582504863.db2.gz OSHMVTBMBAMUJA-CABCVRRESA-N 2 1 238.419 3.173 10 0 BGAEMP CCCCCC[N@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757130960 582504972 /nfs/dbraw/zinc/50/49/72/582504972.db2.gz OSHMVTBMBAMUJA-GJZGRUSLSA-N 2 1 238.419 3.173 10 0 BGAEMP CCCCCC[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757130973 582504943 /nfs/dbraw/zinc/50/49/43/582504943.db2.gz OSHMVTBMBAMUJA-HUUCEWRRSA-N 2 1 238.419 3.173 10 0 BGAEMP CCCCCC[N@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757130977 582504645 /nfs/dbraw/zinc/50/46/45/582504645.db2.gz OSHMVTBMBAMUJA-LSDHHAIUSA-N 2 1 238.419 3.173 10 0 BGAEMP CCCCCC[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757132542 582507452 /nfs/dbraw/zinc/50/74/52/582507452.db2.gz RGRCIFHZQOKWBG-CABCVRRESA-N 2 1 238.419 3.031 10 0 BGAEMP CCCCCC[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757132546 582507786 /nfs/dbraw/zinc/50/77/86/582507786.db2.gz RGRCIFHZQOKWBG-GJZGRUSLSA-N 2 1 238.419 3.031 10 0 BGAEMP CCCCCC[N@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757132555 582507659 /nfs/dbraw/zinc/50/76/59/582507659.db2.gz RGRCIFHZQOKWBG-HUUCEWRRSA-N 2 1 238.419 3.031 10 0 BGAEMP CCCCCC[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757132558 582507669 /nfs/dbraw/zinc/50/76/69/582507669.db2.gz RGRCIFHZQOKWBG-LSDHHAIUSA-N 2 1 238.419 3.031 10 0 BGAEMP