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)C[C@@H](N)C[N@@H+](Cc1ccccc1)C(C)C ZINC000020072414 188351990 /nfs/dbraw/zinc/35/19/90/188351990.db2.gz FFTGQVYLEXJGCU-MRXNPFEDSA-N 1 3 248.414 3.270 10 0 BGAEHO CC(C)C[C@@H](N)C[N@H+](Cc1ccccc1)C(C)C ZINC000020072414 188351988 /nfs/dbraw/zinc/35/19/88/188351988.db2.gz FFTGQVYLEXJGCU-MRXNPFEDSA-N 1 3 248.414 3.270 10 0 BGAEHO CC[C@H](C)[C@@H](N)C[N@@H+](Cc1ccccc1)C(C)C ZINC000020072425 171373001 /nfs/dbraw/zinc/37/30/01/171373001.db2.gz XBHVHRAAZDSCLT-HOCLYGCPSA-N 1 3 248.414 3.270 10 0 BGAEHO CC[C@H](C)[C@@H](N)C[N@H+](Cc1ccccc1)C(C)C ZINC000020072425 171372999 /nfs/dbraw/zinc/37/29/99/171372999.db2.gz XBHVHRAAZDSCLT-HOCLYGCPSA-N 1 3 248.414 3.270 10 0 BGAEHO NCCC[NH+](C1CCCCC1)C1CCCCC1 ZINC000020072500 181379854 /nfs/dbraw/zinc/37/98/54/181379854.db2.gz DSGMGZHEVFYVES-UHFFFAOYSA-N 1 3 238.419 3.303 10 0 BGAEHO CCC(CC)C[NH2+]Cc1ccccc1CN(C)C ZINC000020128590 168362261 /nfs/dbraw/zinc/36/22/61/168362261.db2.gz POGPGFABJVHPIQ-UHFFFAOYSA-N 1 3 248.414 3.274 10 0 BGAEHO CCC(CC)[NH2+]Cc1ccccc1CN(C)C ZINC000020128622 168389807 /nfs/dbraw/zinc/38/98/07/168389807.db2.gz YZQCDNWQAGXEQO-UHFFFAOYSA-N 1 3 234.387 3.026 10 0 BGAEHO CCC[C@@H](C)C[NH2+]Cc1ccccc1CN(C)C ZINC000020128674 169360100 /nfs/dbraw/zinc/36/01/00/169360100.db2.gz HTZFNDVMPNVTFH-CQSZACIVSA-N 1 3 248.414 3.274 10 0 BGAEHO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1CN(C)C ZINC000020128681 171365385 /nfs/dbraw/zinc/36/53/85/171365385.db2.gz QITISNQAKVWLMX-UONOGXRCSA-N 1 3 248.414 3.272 10 0 BGAEHO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1CN(C)C ZINC000020128682 170791375 /nfs/dbraw/zinc/79/13/75/170791375.db2.gz QITISNQAKVWLMX-KGLIPLIRSA-N 1 3 248.414 3.272 10 0 BGAEHO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1CN(C)C ZINC000020128683 171389554 /nfs/dbraw/zinc/38/95/54/171389554.db2.gz QITISNQAKVWLMX-KBPBESRZSA-N 1 3 248.414 3.272 10 0 BGAEHO CCC(CC)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143280 168387530 /nfs/dbraw/zinc/38/75/30/168387530.db2.gz VLIMGHGZSORDPY-UHFFFAOYSA-N 1 3 226.408 3.074 10 0 BGAEHO CCC[C@@H](C)C[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143470 169358658 /nfs/dbraw/zinc/35/86/58/169358658.db2.gz DHZWBGUMZLSABO-GFCCVEGCSA-N 1 3 240.435 3.321 10 0 BGAEHO CC[NH+](CC)CCC[C@@H](C)Nc1ccncc1 ZINC000021008800 343140320 /nfs/dbraw/zinc/14/03/20/343140320.db2.gz YWDMGEVSTYEXRO-CYBMUJFWSA-N 1 3 235.375 3.004 10 0 BGAEHO CC[NH+](CC)CCC[C@H](C)Nc1ccncc1 ZINC000021008801 343140387 /nfs/dbraw/zinc/14/03/87/343140387.db2.gz YWDMGEVSTYEXRO-ZDUSSCGKSA-N 1 3 235.375 3.004 10 0 BGAEHO Cc1cccc([C@H](C[NH3+])N(C)C2CCCCC2)c1 ZINC000022168185 179198425 /nfs/dbraw/zinc/19/84/25/179198425.db2.gz XPBQLQPIXDYISC-INIZCTEOSA-N 1 3 246.398 3.259 10 0 BGAEHO Cc1cccc([C@@H](C[NH3+])N(C)C2CCCCC2)c1 ZINC000022168187 179184545 /nfs/dbraw/zinc/18/45/45/179184545.db2.gz XPBQLQPIXDYISC-MRXNPFEDSA-N 1 3 246.398 3.259 10 0 BGAEHO CCCN(CCC)[C@@H](C[NH3+])c1sccc1C ZINC000022211025 169150113 /nfs/dbraw/zinc/15/01/13/169150113.db2.gz DOIPLQRZSPRMTI-LBPRGKRZSA-N 1 3 240.416 3.178 10 0 BGAEHO CCCN(CCC)[C@H](C[NH3+])c1sccc1C ZINC000022211028 169152485 /nfs/dbraw/zinc/15/24/85/169152485.db2.gz DOIPLQRZSPRMTI-GFCCVEGCSA-N 1 3 240.416 3.178 10 0 BGAEHO Cc1cccc([C@H](C[NH3+])N2[C@H](C)CCC[C@@H]2C)c1 ZINC000022853748 179198865 /nfs/dbraw/zinc/19/88/65/179198865.db2.gz UUGMZUCRTHLIQU-LZWOXQAQSA-N 1 3 246.398 3.258 10 0 BGAEHO Cc1cccc([C@@H](C[NH3+])N2[C@H](C)CCC[C@@H]2C)c1 ZINC000022853751 179184873 /nfs/dbraw/zinc/18/48/73/179184873.db2.gz UUGMZUCRTHLIQU-IJEWVQPXSA-N 1 3 246.398 3.258 10 0 BGAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1CN1CCCCC1 ZINC000026443073 169282455 /nfs/dbraw/zinc/28/24/55/169282455.db2.gz WBHKZFZDAYFAAD-HUUCEWRRSA-N 1 3 238.419 3.031 10 0 BGAEHO CCC[NH2+][C@H]1CCCC[C@@H]1CN1CCCCC1 ZINC000026443076 169290852 /nfs/dbraw/zinc/29/08/52/169290852.db2.gz WBHKZFZDAYFAAD-CABCVRRESA-N 1 3 238.419 3.031 10 0 BGAEHO CCC[NH2+][C@@H]1CCCC[C@H]1CN1CCCCC1 ZINC000026443078 169282502 /nfs/dbraw/zinc/28/25/02/169282502.db2.gz WBHKZFZDAYFAAD-LSDHHAIUSA-N 1 3 238.419 3.031 10 0 BGAEHO CCC[NH2+][C@H]1CCCC[C@H]1CN1CCCCC1 ZINC000026443081 169290386 /nfs/dbraw/zinc/29/03/86/169290386.db2.gz WBHKZFZDAYFAAD-GJZGRUSLSA-N 1 3 238.419 3.031 10 0 BGAEHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCCCC[C@@H]1N ZINC000035206593 386784384 /nfs/dbraw/zinc/78/43/84/386784384.db2.gz AUKFMNHOJFJCOL-JKSUJKDBSA-N 1 3 246.398 3.169 10 0 BGAEHO C[N@H+](Cc1ccccc1)[C@@H]1CCCCCC[C@@H]1N ZINC000035206593 386784375 /nfs/dbraw/zinc/78/43/75/386784375.db2.gz AUKFMNHOJFJCOL-JKSUJKDBSA-N 1 3 246.398 3.169 10 0 BGAEHO C[N@@H+](Cc1ccccc1)[C@H]1CCCCCC[C@@H]1N ZINC000035206594 386784652 /nfs/dbraw/zinc/78/46/52/386784652.db2.gz AUKFMNHOJFJCOL-HOTGVXAUSA-N 1 3 246.398 3.169 10 0 BGAEHO C[N@H+](Cc1ccccc1)[C@H]1CCCCCC[C@@H]1N ZINC000035206594 386784646 /nfs/dbraw/zinc/78/46/46/386784646.db2.gz AUKFMNHOJFJCOL-HOTGVXAUSA-N 1 3 246.398 3.169 10 0 BGAEHO C[C@@H]1CC[C@H](CN)[C@H]([N@@H+](C)C2CCCCC2)C1 ZINC000035234767 176224509 /nfs/dbraw/zinc/22/45/09/176224509.db2.gz DQJNCQMSYUJVHJ-UMVBOHGHSA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@@H]1CC[C@H](CN)[C@H]([N@H+](C)C2CCCCC2)C1 ZINC000035234767 176224507 /nfs/dbraw/zinc/22/45/07/176224507.db2.gz DQJNCQMSYUJVHJ-UMVBOHGHSA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@@H]1CC[C@@H](CN)[C@H]([N@@H+](C)C2CCCCC2)C1 ZINC000035234769 176202511 /nfs/dbraw/zinc/20/25/11/176202511.db2.gz DQJNCQMSYUJVHJ-VNHYZAJKSA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@@H]1CC[C@@H](CN)[C@H]([N@H+](C)C2CCCCC2)C1 ZINC000035234769 176202509 /nfs/dbraw/zinc/20/25/09/176202509.db2.gz DQJNCQMSYUJVHJ-VNHYZAJKSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC[N@@H+](CC1CC1)[C@@H]1CCCCC[C@@H]1CN ZINC000035452121 169138828 /nfs/dbraw/zinc/13/88/28/169138828.db2.gz FUTALNPVEZXRFP-HUUCEWRRSA-N 1 3 238.419 3.016 10 0 BGAEHO CCC[N@H+](CC1CC1)[C@@H]1CCCCC[C@@H]1CN ZINC000035452121 169138827 /nfs/dbraw/zinc/13/88/27/169138827.db2.gz FUTALNPVEZXRFP-HUUCEWRRSA-N 1 3 238.419 3.016 10 0 BGAEHO CCC[N@@H+](CC1CC1)[C@H]1CCCCC[C@@H]1CN ZINC000035452124 169137481 /nfs/dbraw/zinc/13/74/81/169137481.db2.gz FUTALNPVEZXRFP-CABCVRRESA-N 1 3 238.419 3.016 10 0 BGAEHO CCC[N@H+](CC1CC1)[C@H]1CCCCC[C@@H]1CN ZINC000035452124 169137480 /nfs/dbraw/zinc/13/74/80/169137480.db2.gz FUTALNPVEZXRFP-CABCVRRESA-N 1 3 238.419 3.016 10 0 BGAEHO CCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H]1CN ZINC000036198723 169177099 /nfs/dbraw/zinc/17/70/99/169177099.db2.gz VUBYJOXLVDYNJM-HZPDHXFCSA-N 1 3 246.398 3.026 10 0 BGAEHO CCC[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H]1CN ZINC000036198723 169177095 /nfs/dbraw/zinc/17/70/95/169177095.db2.gz VUBYJOXLVDYNJM-HZPDHXFCSA-N 1 3 246.398 3.026 10 0 BGAEHO CCC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@H]1CN ZINC000036198725 169177579 /nfs/dbraw/zinc/17/75/79/169177579.db2.gz VUBYJOXLVDYNJM-CVEARBPZSA-N 1 3 246.398 3.026 10 0 BGAEHO CCC[N@H+](Cc1ccccc1)[C@H]1CCC[C@@H]1CN ZINC000036198725 169177577 /nfs/dbraw/zinc/17/75/77/169177577.db2.gz VUBYJOXLVDYNJM-CVEARBPZSA-N 1 3 246.398 3.026 10 0 BGAEHO CCCN(Cc1ccccc1)[C@@H](CC)CC[NH3+] ZINC000036198745 169178024 /nfs/dbraw/zinc/17/80/24/169178024.db2.gz LQQRBYWCOZOZNY-HNNXBMFYSA-N 1 3 234.387 3.026 10 0 BGAEHO CCC[N@@H+](Cc1ccccc1)[C@@H](CC)CCN ZINC000036198745 169178023 /nfs/dbraw/zinc/17/80/23/169178023.db2.gz LQQRBYWCOZOZNY-HNNXBMFYSA-N 1 3 234.387 3.026 10 0 BGAEHO CCC[N@H+](Cc1ccccc1)[C@@H](CC)CCN ZINC000036198745 169178022 /nfs/dbraw/zinc/17/80/22/169178022.db2.gz LQQRBYWCOZOZNY-HNNXBMFYSA-N 1 3 234.387 3.026 10 0 BGAEHO CCCN(Cc1ccccc1)[C@H](CC)CC[NH3+] ZINC000036198747 169178139 /nfs/dbraw/zinc/17/81/39/169178139.db2.gz LQQRBYWCOZOZNY-OAHLLOKOSA-N 1 3 234.387 3.026 10 0 BGAEHO CCC[N@@H+](Cc1ccccc1)[C@H](CC)CCN ZINC000036198747 169178138 /nfs/dbraw/zinc/17/81/38/169178138.db2.gz LQQRBYWCOZOZNY-OAHLLOKOSA-N 1 3 234.387 3.026 10 0 BGAEHO CCC[N@H+](Cc1ccccc1)[C@H](CC)CCN ZINC000036198747 169178137 /nfs/dbraw/zinc/17/81/37/169178137.db2.gz LQQRBYWCOZOZNY-OAHLLOKOSA-N 1 3 234.387 3.026 10 0 BGAEHO CCC(CC)C[N@@H+](CC)[C@@H]1CCCC[C@@H]1CN ZINC000036198888 168351335 /nfs/dbraw/zinc/35/13/35/168351335.db2.gz HHACXJJCLGDARA-HUUCEWRRSA-N 1 3 240.435 3.262 10 0 BGAEHO CCC(CC)C[N@H+](CC)[C@@H]1CCCC[C@@H]1CN ZINC000036198888 168351333 /nfs/dbraw/zinc/35/13/33/168351333.db2.gz HHACXJJCLGDARA-HUUCEWRRSA-N 1 3 240.435 3.262 10 0 BGAEHO CCC(CC)C[N@@H+](CC)[C@H]1CCCC[C@@H]1CN ZINC000036198890 168349738 /nfs/dbraw/zinc/34/97/38/168349738.db2.gz HHACXJJCLGDARA-CABCVRRESA-N 1 3 240.435 3.262 10 0 BGAEHO CCC(CC)C[N@H+](CC)[C@H]1CCCC[C@@H]1CN ZINC000036198890 168349737 /nfs/dbraw/zinc/34/97/37/168349737.db2.gz HHACXJJCLGDARA-CABCVRRESA-N 1 3 240.435 3.262 10 0 BGAEHO NCCC[N@@H+](C1CCCC1)C1CCCCCC1 ZINC000036732268 181380132 /nfs/dbraw/zinc/38/01/32/181380132.db2.gz VWMWKIDXAJXRCK-UHFFFAOYSA-N 1 3 238.419 3.303 10 0 BGAEHO NCCC[N@H+](C1CCCC1)C1CCCCCC1 ZINC000036732268 181380128 /nfs/dbraw/zinc/38/01/28/181380128.db2.gz VWMWKIDXAJXRCK-UHFFFAOYSA-N 1 3 238.419 3.303 10 0 BGAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@@H+](C)[C@@H](C)C(C)C)C1 ZINC000036786619 171056158 /nfs/dbraw/zinc/05/61/58/171056158.db2.gz ZIIJTHGJZVFLHY-GBJTYRQASA-N 1 3 240.435 3.116 10 0 BGAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@H+](C)[C@@H](C)C(C)C)C1 ZINC000036786619 171056156 /nfs/dbraw/zinc/05/61/56/171056156.db2.gz ZIIJTHGJZVFLHY-GBJTYRQASA-N 1 3 240.435 3.116 10 0 BGAEHO CCC(CC)[N@@H+](C)[C@@H]1C[C@H](CC)CC[C@@H]1CN ZINC000036788547 168369301 /nfs/dbraw/zinc/36/93/01/168369301.db2.gz OYCBLXPFYIYJGZ-UMVBOHGHSA-N 1 3 240.435 3.260 10 0 BGAEHO CCC(CC)[N@H+](C)[C@@H]1C[C@H](CC)CC[C@@H]1CN ZINC000036788547 168369299 /nfs/dbraw/zinc/36/92/99/168369299.db2.gz OYCBLXPFYIYJGZ-UMVBOHGHSA-N 1 3 240.435 3.260 10 0 BGAEHO CCC(CC)[N@@H+](C)[C@@H]1C[C@@H](CC)CC[C@@H]1CN ZINC000036788548 168369109 /nfs/dbraw/zinc/36/91/09/168369109.db2.gz OYCBLXPFYIYJGZ-GZBFAFLISA-N 1 3 240.435 3.260 10 0 BGAEHO CCC(CC)[N@H+](C)[C@@H]1C[C@@H](CC)CC[C@@H]1CN ZINC000036788548 168369107 /nfs/dbraw/zinc/36/91/07/168369107.db2.gz OYCBLXPFYIYJGZ-GZBFAFLISA-N 1 3 240.435 3.260 10 0 BGAEHO CCC(CC)[N@@H+](C)[C@@H]1C[C@H](CC)CC[C@H]1CN ZINC000036788549 168369128 /nfs/dbraw/zinc/36/91/28/168369128.db2.gz OYCBLXPFYIYJGZ-VNHYZAJKSA-N 1 3 240.435 3.260 10 0 BGAEHO CCC(CC)[N@H+](C)[C@@H]1C[C@H](CC)CC[C@H]1CN ZINC000036788549 168369126 /nfs/dbraw/zinc/36/91/26/168369126.db2.gz OYCBLXPFYIYJGZ-VNHYZAJKSA-N 1 3 240.435 3.260 10 0 BGAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@H+]2CCCC[C@@H]2C)C1 ZINC000037157078 171056589 /nfs/dbraw/zinc/05/65/89/171056589.db2.gz GMAYGQKKMQOIJO-GBJTYRQASA-N 1 3 238.419 3.014 10 0 BGAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@@H+]2CCCC[C@@H]2C)C1 ZINC000037157078 171056586 /nfs/dbraw/zinc/05/65/86/171056586.db2.gz GMAYGQKKMQOIJO-GBJTYRQASA-N 1 3 238.419 3.014 10 0 BGAEHO CCC[C@@H](C)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000037786562 169358620 /nfs/dbraw/zinc/35/86/20/169358620.db2.gz IVPBBGSSJUPHEH-CYBMUJFWSA-N 1 3 240.435 3.275 10 0 BGAEHO CC(C)C[C@H](N)C[N@@H+](Cc1ccccc1)C(C)C ZINC000039141063 187255919 /nfs/dbraw/zinc/25/59/19/187255919.db2.gz FFTGQVYLEXJGCU-INIZCTEOSA-N 1 3 248.414 3.270 10 0 BGAEHO CC(C)C[C@H](N)C[N@H+](Cc1ccccc1)C(C)C ZINC000039141063 187255916 /nfs/dbraw/zinc/25/59/16/187255916.db2.gz FFTGQVYLEXJGCU-INIZCTEOSA-N 1 3 248.414 3.270 10 0 BGAEHO CC[C@H](C)[C@H](N)C[N@@H+](Cc1ccccc1)C(C)C ZINC000039141070 171397012 /nfs/dbraw/zinc/39/70/12/171397012.db2.gz XBHVHRAAZDSCLT-GOEBONIOSA-N 1 3 248.414 3.270 10 0 BGAEHO CC[C@H](C)[C@H](N)C[N@H+](Cc1ccccc1)C(C)C ZINC000039141070 171397011 /nfs/dbraw/zinc/39/70/11/171397011.db2.gz XBHVHRAAZDSCLT-GOEBONIOSA-N 1 3 248.414 3.270 10 0 BGAEHO Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@H](N)C2)c(C)c1 ZINC000041027857 410902966 /nfs/dbraw/zinc/90/29/66/410902966.db2.gz RHCTWSKMQDFUTP-CABCVRRESA-N 1 3 246.398 3.096 10 0 BGAEHO Cc1cc(C)c([C@@H](C)[N@@H+]2CCC[C@H](N)C2)c(C)c1 ZINC000041027857 410902962 /nfs/dbraw/zinc/90/29/62/410902962.db2.gz RHCTWSKMQDFUTP-CABCVRRESA-N 1 3 246.398 3.096 10 0 BGAEHO Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@H](N)C2)c(C)c1 ZINC000041027858 409829524 /nfs/dbraw/zinc/82/95/24/409829524.db2.gz RHCTWSKMQDFUTP-GJZGRUSLSA-N 1 3 246.398 3.096 10 0 BGAEHO Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@H](N)C2)c(C)c1 ZINC000041027858 409829519 /nfs/dbraw/zinc/82/95/19/409829519.db2.gz RHCTWSKMQDFUTP-GJZGRUSLSA-N 1 3 246.398 3.096 10 0 BGAEHO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(CC)C1 ZINC000042553251 171366997 /nfs/dbraw/zinc/36/69/97/171366997.db2.gz CIOKPZXCTQNSBH-LJISPDSOSA-N 1 3 240.435 3.131 10 0 BGAEHO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(CC)C1 ZINC000042553257 171390613 /nfs/dbraw/zinc/39/06/13/171390613.db2.gz CIOKPZXCTQNSBH-ZQDZILKHSA-N 1 3 240.435 3.131 10 0 BGAEHO CC(C)C[C@H](C)[N@@H+](C)[C@@H]1CCCCC[C@@H]1CN ZINC000042562785 188294034 /nfs/dbraw/zinc/29/40/34/188294034.db2.gz JWTPFGCTKZYMKO-RRFJBIMHSA-N 1 3 240.435 3.260 10 0 BGAEHO CC(C)C[C@H](C)[N@H+](C)[C@@H]1CCCCC[C@@H]1CN ZINC000042562785 188294032 /nfs/dbraw/zinc/29/40/32/188294032.db2.gz JWTPFGCTKZYMKO-RRFJBIMHSA-N 1 3 240.435 3.260 10 0 BGAEHO CC(C)[N@@H+](CC1CC1)[C@@H]1CCCCC[C@@H]1CN ZINC000042563278 188120494 /nfs/dbraw/zinc/12/04/94/188120494.db2.gz ANWAFPWELPPMLJ-HUUCEWRRSA-N 1 3 238.419 3.014 10 0 BGAEHO CC(C)[N@H+](CC1CC1)[C@@H]1CCCCC[C@@H]1CN ZINC000042563278 188120492 /nfs/dbraw/zinc/12/04/92/188120492.db2.gz ANWAFPWELPPMLJ-HUUCEWRRSA-N 1 3 238.419 3.014 10 0 BGAEHO CCNC1CC[NH+]([C@H]2CCCC[C@H]2CC)CC1 ZINC000042580602 170109807 /nfs/dbraw/zinc/10/98/07/170109807.db2.gz HFETVMSHBAECQG-HIFRSBDPSA-N 1 3 238.419 3.029 10 0 BGAEHO CCNC1CC[NH+]([C@H]2CCCC[C@@H]2CC)CC1 ZINC000042580605 170109928 /nfs/dbraw/zinc/10/99/28/170109928.db2.gz HFETVMSHBAECQG-ZFWWWQNUSA-N 1 3 238.419 3.029 10 0 BGAEHO CCNC1CC[NH+]([C@@H]2CCCC[C@H]2CC)CC1 ZINC000042580608 170109346 /nfs/dbraw/zinc/10/93/46/170109346.db2.gz HFETVMSHBAECQG-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2CC)CC1 ZINC000042580611 170109279 /nfs/dbraw/zinc/10/92/79/170109279.db2.gz HFETVMSHBAECQG-DZGCQCFKSA-N 1 3 238.419 3.029 10 0 BGAEHO CCCN[C@@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2CC)C1 ZINC000042580653 169282704 /nfs/dbraw/zinc/28/27/04/169282704.db2.gz NJAQNCGXNYNZBA-RRFJBIMHSA-N 1 3 238.419 3.029 10 0 BGAEHO CCCN[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2CC)C1 ZINC000042580653 169282703 /nfs/dbraw/zinc/28/27/03/169282703.db2.gz NJAQNCGXNYNZBA-RRFJBIMHSA-N 1 3 238.419 3.029 10 0 BGAEHO CCCN[C@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2CC)C1 ZINC000042580656 169291426 /nfs/dbraw/zinc/29/14/26/169291426.db2.gz NJAQNCGXNYNZBA-SOUVJXGZSA-N 1 3 238.419 3.029 10 0 BGAEHO CCCN[C@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2CC)C1 ZINC000042580656 169291425 /nfs/dbraw/zinc/29/14/25/169291425.db2.gz NJAQNCGXNYNZBA-SOUVJXGZSA-N 1 3 238.419 3.029 10 0 BGAEHO CCNC1CC[NH+](C2CCC(CC)CC2)CC1 ZINC000042580712 170108756 /nfs/dbraw/zinc/10/87/56/170108756.db2.gz LBMQVHAEYRFLDL-UHFFFAOYSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[NH2+]C1CCN(C2CCC(CC)CC2)CC1 ZINC000042580712 170108755 /nfs/dbraw/zinc/10/87/55/170108755.db2.gz LBMQVHAEYRFLDL-UHFFFAOYSA-N 1 3 238.419 3.029 10 0 BGAEHO Cc1ccccc1[C@@H](C)N[C@@H](C)C[NH+]1CCCC1 ZINC000042597644 179321639 /nfs/dbraw/zinc/32/16/39/179321639.db2.gz LKRBWODCDKQXDV-LSDHHAIUSA-N 1 3 246.398 3.130 10 0 BGAEHO Cc1ccccc1[C@H](C)N[C@@H](C)C[NH+]1CCCC1 ZINC000042597648 179338187 /nfs/dbraw/zinc/33/81/87/179338187.db2.gz LKRBWODCDKQXDV-GJZGRUSLSA-N 1 3 246.398 3.130 10 0 BGAEHO Cc1ccccc1[C@@H](C)N[C@H](C)C[NH+]1CCCC1 ZINC000042597653 179323610 /nfs/dbraw/zinc/32/36/10/179323610.db2.gz LKRBWODCDKQXDV-HUUCEWRRSA-N 1 3 246.398 3.130 10 0 BGAEHO Cc1ccccc1[C@H](C)N[C@H](C)C[NH+]1CCCC1 ZINC000042597657 179338572 /nfs/dbraw/zinc/33/85/72/179338572.db2.gz LKRBWODCDKQXDV-CABCVRRESA-N 1 3 246.398 3.130 10 0 BGAEHO C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1CN ZINC000042602340 176079182 /nfs/dbraw/zinc/07/91/82/176079182.db2.gz VYMGWEFSNFMPHU-APIJFGDWSA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1CN ZINC000042602340 176079180 /nfs/dbraw/zinc/07/91/80/176079180.db2.gz VYMGWEFSNFMPHU-APIJFGDWSA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@H]1CCCC[C@@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1CN ZINC000042602342 177081344 /nfs/dbraw/zinc/08/13/44/177081344.db2.gz VYMGWEFSNFMPHU-LJISPDSOSA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1CN ZINC000042602342 177081343 /nfs/dbraw/zinc/08/13/43/177081343.db2.gz VYMGWEFSNFMPHU-LJISPDSOSA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1CN ZINC000042602344 176086938 /nfs/dbraw/zinc/08/69/38/176086938.db2.gz VYMGWEFSNFMPHU-KBUPBQIOSA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1CN ZINC000042602344 176086937 /nfs/dbraw/zinc/08/69/37/176086937.db2.gz VYMGWEFSNFMPHU-KBUPBQIOSA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1CN ZINC000042602346 177087102 /nfs/dbraw/zinc/08/71/02/177087102.db2.gz VYMGWEFSNFMPHU-GBJTYRQASA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H]1CCCC[C@@H]1CN ZINC000042602346 177087101 /nfs/dbraw/zinc/08/71/01/177087101.db2.gz VYMGWEFSNFMPHU-GBJTYRQASA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[C@@H]1CCCCN1 ZINC000042607990 176078402 /nfs/dbraw/zinc/07/84/02/176078402.db2.gz YOUVJRBKLGSZPV-ILXRZTDVSA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC[C@@H]1CCCCN1 ZINC000042607990 176078401 /nfs/dbraw/zinc/07/84/01/176078401.db2.gz YOUVJRBKLGSZPV-ILXRZTDVSA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC[C@@H]1CCCCN1 ZINC000042607991 177080582 /nfs/dbraw/zinc/08/05/82/177080582.db2.gz YOUVJRBKLGSZPV-KKUMJFAQSA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@H]1CCCC[C@@H]1[N@H+](C)CC[C@@H]1CCCCN1 ZINC000042607991 177080580 /nfs/dbraw/zinc/08/05/80/177080580.db2.gz YOUVJRBKLGSZPV-KKUMJFAQSA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CCCCN1 ZINC000042607992 176086861 /nfs/dbraw/zinc/08/68/61/176086861.db2.gz YOUVJRBKLGSZPV-QLFBSQMISA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@@H]1CCCC[C@H]1[N@H+](C)CC[C@@H]1CCCCN1 ZINC000042607992 176086860 /nfs/dbraw/zinc/08/68/60/176086860.db2.gz YOUVJRBKLGSZPV-QLFBSQMISA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CCCCN1 ZINC000042607993 177087221 /nfs/dbraw/zinc/08/72/21/177087221.db2.gz YOUVJRBKLGSZPV-SOUVJXGZSA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@H]1CCCC[C@H]1[N@H+](C)CC[C@@H]1CCCCN1 ZINC000042607993 177087220 /nfs/dbraw/zinc/08/72/20/177087220.db2.gz YOUVJRBKLGSZPV-SOUVJXGZSA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCNC(C)(C)C ZINC000042609961 176078531 /nfs/dbraw/zinc/07/85/31/176078531.db2.gz BUFMSRVOWLMIMB-KGLIPLIRSA-N 1 3 240.435 3.275 10 0 BGAEHO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCNC(C)(C)C ZINC000042609961 176078528 /nfs/dbraw/zinc/07/85/28/176078528.db2.gz BUFMSRVOWLMIMB-KGLIPLIRSA-N 1 3 240.435 3.275 10 0 BGAEHO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCNC(C)(C)C ZINC000042609962 177081129 /nfs/dbraw/zinc/08/11/29/177081129.db2.gz BUFMSRVOWLMIMB-KBPBESRZSA-N 1 3 240.435 3.275 10 0 BGAEHO C[C@H]1CCCC[C@@H]1[N@H+](C)CCCNC(C)(C)C ZINC000042609962 177081127 /nfs/dbraw/zinc/08/11/27/177081127.db2.gz BUFMSRVOWLMIMB-KBPBESRZSA-N 1 3 240.435 3.275 10 0 BGAEHO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCCNC(C)(C)C ZINC000042609963 176086934 /nfs/dbraw/zinc/08/69/34/176086934.db2.gz BUFMSRVOWLMIMB-ZIAGYGMSSA-N 1 3 240.435 3.275 10 0 BGAEHO C[C@@H]1CCCC[C@H]1[N@H+](C)CCCNC(C)(C)C ZINC000042609963 176086933 /nfs/dbraw/zinc/08/69/33/176086933.db2.gz BUFMSRVOWLMIMB-ZIAGYGMSSA-N 1 3 240.435 3.275 10 0 BGAEHO C[C@H]1CCCC[C@H]1[N@@H+](C)CCCNC(C)(C)C ZINC000042609964 177087327 /nfs/dbraw/zinc/08/73/27/177087327.db2.gz BUFMSRVOWLMIMB-UONOGXRCSA-N 1 3 240.435 3.275 10 0 BGAEHO C[C@H]1CCCC[C@H]1[N@H+](C)CCCNC(C)(C)C ZINC000042609964 177087324 /nfs/dbraw/zinc/08/73/24/177087324.db2.gz BUFMSRVOWLMIMB-UONOGXRCSA-N 1 3 240.435 3.275 10 0 BGAEHO C[C@H]([N@@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1CN)C(C)(C)C ZINC000042739426 177202407 /nfs/dbraw/zinc/20/24/07/177202407.db2.gz XBFXDTNOOISKHU-IGQOVBAYSA-N 1 3 240.435 3.116 10 0 BGAEHO C[C@H]([N@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1CN)C(C)(C)C ZINC000042739426 177202405 /nfs/dbraw/zinc/20/24/05/177202405.db2.gz XBFXDTNOOISKHU-IGQOVBAYSA-N 1 3 240.435 3.116 10 0 BGAEHO Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CCCCCC2)c1 ZINC000042965427 179188630 /nfs/dbraw/zinc/18/86/30/179188630.db2.gz BRDBGGQRIIUXRA-GDBMZVCRSA-N 1 3 246.398 3.259 10 0 BGAEHO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCCCCC2)c1 ZINC000042965429 179203902 /nfs/dbraw/zinc/20/39/02/179203902.db2.gz BRDBGGQRIIUXRA-ZBFHGGJFSA-N 1 3 246.398 3.259 10 0 BGAEHO Cc1cccc([C@@H]([C@H](C)[NH3+])N2CCCCCC2)c1 ZINC000042965431 179188997 /nfs/dbraw/zinc/18/89/97/179188997.db2.gz BRDBGGQRIIUXRA-GOEBONIOSA-N 1 3 246.398 3.259 10 0 BGAEHO Cc1cccc([C@H]([C@H](C)[NH3+])N2CCCCCC2)c1 ZINC000042965432 179203285 /nfs/dbraw/zinc/20/32/85/179203285.db2.gz BRDBGGQRIIUXRA-HOCLYGCPSA-N 1 3 246.398 3.259 10 0 BGAEHO Cc1cccc([C@@H]([C@@H](C)[NH3+])N(C)C2CCCC2)c1 ZINC000042965956 179187866 /nfs/dbraw/zinc/18/78/66/179187866.db2.gz HDARTOLWGROMGO-CZUORRHYSA-N 1 3 246.398 3.258 10 0 BGAEHO Cc1cccc([C@H]([C@@H](C)[NH3+])N(C)C2CCCC2)c1 ZINC000042965958 179203991 /nfs/dbraw/zinc/20/39/91/179203991.db2.gz HDARTOLWGROMGO-CJNGLKHVSA-N 1 3 246.398 3.258 10 0 BGAEHO Cc1cccc([C@@H]([C@H](C)[NH3+])N(C)C2CCCC2)c1 ZINC000042965960 179187744 /nfs/dbraw/zinc/18/77/44/179187744.db2.gz HDARTOLWGROMGO-XJKSGUPXSA-N 1 3 246.398 3.258 10 0 BGAEHO Cc1cccc([C@H]([C@H](C)[NH3+])N(C)C2CCCC2)c1 ZINC000042965962 179203511 /nfs/dbraw/zinc/20/35/11/179203511.db2.gz HDARTOLWGROMGO-BBRMVZONSA-N 1 3 246.398 3.258 10 0 BGAEHO Cc1cccc([C@@H]([C@@H](C)[NH3+])N(C)[C@@H](C)C2CC2)c1 ZINC000042966281 179188644 /nfs/dbraw/zinc/18/86/44/179188644.db2.gz AOJQLLKRDQQWBV-DVOMOZLQSA-N 1 3 246.398 3.114 10 0 BGAEHO Cc1cccc([C@H]([C@@H](C)[NH3+])N(C)[C@@H](C)C2CC2)c1 ZINC000042966283 179203460 /nfs/dbraw/zinc/20/34/60/179203460.db2.gz AOJQLLKRDQQWBV-WWGRRREGSA-N 1 3 246.398 3.114 10 0 BGAEHO Cc1cccc([C@@H]([C@H](C)[NH3+])N(C)[C@@H](C)C2CC2)c1 ZINC000042966285 179189121 /nfs/dbraw/zinc/18/91/21/179189121.db2.gz AOJQLLKRDQQWBV-HEHGZKQESA-N 1 3 246.398 3.114 10 0 BGAEHO Cc1cccc([C@H]([C@H](C)[NH3+])N(C)[C@@H](C)C2CC2)c1 ZINC000042966287 179203069 /nfs/dbraw/zinc/20/30/69/179203069.db2.gz AOJQLLKRDQQWBV-XEZPLFJOSA-N 1 3 246.398 3.114 10 0 BGAEHO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CCCC[C@@H]1C ZINC000043033326 179328307 /nfs/dbraw/zinc/32/83/07/179328307.db2.gz AEAWRESMEFTBBI-SQWLQELKSA-N 1 3 246.398 3.258 10 0 BGAEHO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCCC[C@@H]1C ZINC000043033330 179347809 /nfs/dbraw/zinc/34/78/09/179347809.db2.gz AEAWRESMEFTBBI-LZWOXQAQSA-N 1 3 246.398 3.258 10 0 BGAEHO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N1CCCC[C@@H]1C ZINC000043033333 179328480 /nfs/dbraw/zinc/32/84/80/179328480.db2.gz AEAWRESMEFTBBI-OFQRWUPVSA-N 1 3 246.398 3.258 10 0 BGAEHO Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CCCC[C@@H]1C ZINC000043033336 179347341 /nfs/dbraw/zinc/34/73/41/179347341.db2.gz AEAWRESMEFTBBI-DZKIICNBSA-N 1 3 246.398 3.258 10 0 BGAEHO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCC[C@H](C)C1 ZINC000043033408 179347771 /nfs/dbraw/zinc/34/77/71/179347771.db2.gz WVLKBRBIIHEVIV-BJJXKVORSA-N 1 3 246.398 3.115 10 0 BGAEHO Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CCC[C@H](C)C1 ZINC000043033414 179346924 /nfs/dbraw/zinc/34/69/24/179346924.db2.gz WVLKBRBIIHEVIV-NOLJZWGESA-N 1 3 246.398 3.115 10 0 BGAEHO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)C1CCCC1 ZINC000043034441 179328503 /nfs/dbraw/zinc/32/85/03/179328503.db2.gz NFUXQRMDHPIAPL-CZUORRHYSA-N 1 3 246.398 3.258 10 0 BGAEHO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)C1CCCC1 ZINC000043034444 179346667 /nfs/dbraw/zinc/34/66/67/179346667.db2.gz NFUXQRMDHPIAPL-CJNGLKHVSA-N 1 3 246.398 3.258 10 0 BGAEHO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)C1CCCC1 ZINC000043034447 179327283 /nfs/dbraw/zinc/32/72/83/179327283.db2.gz NFUXQRMDHPIAPL-XJKSGUPXSA-N 1 3 246.398 3.258 10 0 BGAEHO Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)C1CCCC1 ZINC000043034450 179347372 /nfs/dbraw/zinc/34/73/72/179347372.db2.gz NFUXQRMDHPIAPL-BBRMVZONSA-N 1 3 246.398 3.258 10 0 BGAEHO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)[C@@H](C)C1CC1 ZINC000043035023 179328269 /nfs/dbraw/zinc/32/82/69/179328269.db2.gz MGZKDISWNIJUTO-DVOMOZLQSA-N 1 3 246.398 3.114 10 0 BGAEHO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)[C@@H](C)C1CC1 ZINC000043035027 179347561 /nfs/dbraw/zinc/34/75/61/179347561.db2.gz MGZKDISWNIJUTO-WWGRRREGSA-N 1 3 246.398 3.114 10 0 BGAEHO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)[C@@H](C)C1CC1 ZINC000043035031 179329035 /nfs/dbraw/zinc/32/90/35/179329035.db2.gz MGZKDISWNIJUTO-HEHGZKQESA-N 1 3 246.398 3.114 10 0 BGAEHO Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)[C@@H](C)C1CC1 ZINC000043035034 179346594 /nfs/dbraw/zinc/34/65/94/179346594.db2.gz MGZKDISWNIJUTO-XEZPLFJOSA-N 1 3 246.398 3.114 10 0 BGAEHO C[C@H]1C[C@H](N)CC[N@H+]1C(C)(C)CC(C)(C)C ZINC000043435746 177365547 /nfs/dbraw/zinc/36/55/47/177365547.db2.gz PNWWBTCFXWVRGW-NWDGAFQWSA-N 1 3 226.408 3.013 10 0 BGAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C(C)(C)CC(C)(C)C ZINC000043435746 177365545 /nfs/dbraw/zinc/36/55/45/177365545.db2.gz PNWWBTCFXWVRGW-NWDGAFQWSA-N 1 3 226.408 3.013 10 0 BGAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C(C)(C)CC(C)(C)C ZINC000043435748 176370525 /nfs/dbraw/zinc/37/05/25/176370525.db2.gz PNWWBTCFXWVRGW-NEPJUHHUSA-N 1 3 226.408 3.013 10 0 BGAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C(C)(C)CC(C)(C)C ZINC000043435748 176370524 /nfs/dbraw/zinc/37/05/24/176370524.db2.gz PNWWBTCFXWVRGW-NEPJUHHUSA-N 1 3 226.408 3.013 10 0 BGAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C(C)(C)CC(C)(C)C ZINC000043435750 177326417 /nfs/dbraw/zinc/32/64/17/177326417.db2.gz PNWWBTCFXWVRGW-RYUDHWBXSA-N 1 3 226.408 3.013 10 0 BGAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C(C)(C)CC(C)(C)C ZINC000043435750 177326415 /nfs/dbraw/zinc/32/64/15/177326415.db2.gz PNWWBTCFXWVRGW-RYUDHWBXSA-N 1 3 226.408 3.013 10 0 BGAEHO C[C@@H]1CNCCC[N@H+](C(C)(C)CC(C)(C)C)C1 ZINC000043437131 176324653 /nfs/dbraw/zinc/32/46/53/176324653.db2.gz NXBADCMRSYEKBM-CYBMUJFWSA-N 1 3 240.435 3.133 10 0 BGAEHO C[C@@H]1CNCCC[N@@H+](C(C)(C)CC(C)(C)C)C1 ZINC000043437131 176324652 /nfs/dbraw/zinc/32/46/52/176324652.db2.gz NXBADCMRSYEKBM-CYBMUJFWSA-N 1 3 240.435 3.133 10 0 BGAEHO C[C@H]1CNCCC[N@H+](C(C)(C)CC(C)(C)C)C1 ZINC000043437133 177281387 /nfs/dbraw/zinc/28/13/87/177281387.db2.gz NXBADCMRSYEKBM-ZDUSSCGKSA-N 1 3 240.435 3.133 10 0 BGAEHO C[C@H]1CNCCC[N@@H+](C(C)(C)CC(C)(C)C)C1 ZINC000043437133 177281386 /nfs/dbraw/zinc/28/13/86/177281386.db2.gz NXBADCMRSYEKBM-ZDUSSCGKSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+]Cc1sc2ccccc2c1CN(C)C ZINC000045206346 170133181 /nfs/dbraw/zinc/13/31/81/170133181.db2.gz BEOAPYUFHWXRRD-UHFFFAOYSA-N 1 3 248.395 3.072 10 0 BGAEHO CC[C@@H]1CCN(C2CCCCCCC2)CC[NH2+]1 ZINC000049661024 171010126 /nfs/dbraw/zinc/01/01/26/171010126.db2.gz URHAXWXJMPTTHO-CQSZACIVSA-N 1 3 238.419 3.173 10 0 BGAEHO CC[C@@H]1CC[N@@H+](CCC2CCCCC2)CCN1 ZINC000049662264 171011644 /nfs/dbraw/zinc/01/16/44/171011644.db2.gz PCCZZEUFAKPORF-OAHLLOKOSA-N 1 3 238.419 3.031 10 0 BGAEHO CC[C@@H]1CC[N@H+](CCC2CCCCC2)CCN1 ZINC000049662264 171011643 /nfs/dbraw/zinc/01/16/43/171011643.db2.gz PCCZZEUFAKPORF-OAHLLOKOSA-N 1 3 238.419 3.031 10 0 BGAEHO CC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)CCN1 ZINC000049662549 171014940 /nfs/dbraw/zinc/01/49/40/171014940.db2.gz DJBQPEFEDRGREC-LSDHHAIUSA-N 1 3 246.398 3.130 10 0 BGAEHO CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)CCN1 ZINC000049662549 171014937 /nfs/dbraw/zinc/01/49/37/171014937.db2.gz DJBQPEFEDRGREC-LSDHHAIUSA-N 1 3 246.398 3.130 10 0 BGAEHO CC[C@@H]1CC[N@H+]([C@@H](C)CCCC(C)C)CCN1 ZINC000049662648 171014146 /nfs/dbraw/zinc/01/41/46/171014146.db2.gz NQJYCFATDKEDAR-LSDHHAIUSA-N 1 3 240.435 3.275 10 0 BGAEHO CC[C@@H]1CC[N@@H+]([C@@H](C)CCCC(C)C)CCN1 ZINC000049662648 171014144 /nfs/dbraw/zinc/01/41/44/171014144.db2.gz NQJYCFATDKEDAR-LSDHHAIUSA-N 1 3 240.435 3.275 10 0 BGAEHO CC[C@@H]1CCN(Cc2ccccc2)CC[C@H](C)[NH2+]1 ZINC000049664192 171011763 /nfs/dbraw/zinc/01/17/63/171011763.db2.gz KYKZVLXSJKPHEJ-GOEBONIOSA-N 1 3 246.398 3.039 10 0 BGAEHO CC[C@@H]1CCN([C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000049664285 171013346 /nfs/dbraw/zinc/01/33/46/171013346.db2.gz XTGYMRFMQLBEEQ-GOEBONIOSA-N 1 3 246.398 3.212 10 0 BGAEHO C[C@@H](c1ccccc1)N1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049664299 177169573 /nfs/dbraw/zinc/16/95/73/177169573.db2.gz VOZXLWHUJMYLIQ-ZNMIVQPWSA-N 1 3 246.398 3.210 10 0 BGAEHO C[C@@H](c1ccccc1)N1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049664301 177169889 /nfs/dbraw/zinc/16/98/89/177169889.db2.gz VOZXLWHUJMYLIQ-KKUMJFAQSA-N 1 3 246.398 3.210 10 0 BGAEHO C[C@@H](c1ccccc1)N1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000049664302 176021750 /nfs/dbraw/zinc/02/17/50/176021750.db2.gz VOZXLWHUJMYLIQ-KFWWJZLASA-N 1 3 246.398 3.210 10 0 BGAEHO CC[C@@H]1CC[N@H+](C(C)(C)CC)CC[C@H](C)N1 ZINC000049664983 171008654 /nfs/dbraw/zinc/00/86/54/171008654.db2.gz UAAOYTPKNBUADL-QWHCGFSZSA-N 1 3 226.408 3.028 10 0 BGAEHO CC[C@@H]1CC[N@@H+](C(C)(C)CC)CC[C@H](C)N1 ZINC000049664983 171008652 /nfs/dbraw/zinc/00/86/52/171008652.db2.gz UAAOYTPKNBUADL-QWHCGFSZSA-N 1 3 226.408 3.028 10 0 BGAEHO CC[C@@H]1CC[N@H+](C2CCCCC2)CC[C@H](C)N1 ZINC000049665015 171007992 /nfs/dbraw/zinc/00/79/92/171007992.db2.gz HOLRJJXJDXEPRI-UONOGXRCSA-N 1 3 238.419 3.172 10 0 BGAEHO CC[C@@H]1CC[N@@H+](C2CCCCC2)CC[C@H](C)N1 ZINC000049665015 171007990 /nfs/dbraw/zinc/00/79/90/171007990.db2.gz HOLRJJXJDXEPRI-UONOGXRCSA-N 1 3 238.419 3.172 10 0 BGAEHO CC[C@@H]1CC[N@H+](C2CCCCC2)C[C@H](C)CN1 ZINC000049665019 171009667 /nfs/dbraw/zinc/00/96/67/171009667.db2.gz LKXYOTSIAOEJCY-ZIAGYGMSSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[C@@H]1CC[N@@H+](C2CCCCC2)C[C@H](C)CN1 ZINC000049665019 171009663 /nfs/dbraw/zinc/00/96/63/171009663.db2.gz LKXYOTSIAOEJCY-ZIAGYGMSSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[C@@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2C)CCCN1 ZINC000049665274 171015124 /nfs/dbraw/zinc/01/51/24/171015124.db2.gz VARUUGZJOCHWKX-RRFJBIMHSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2C)CCCN1 ZINC000049665274 171015121 /nfs/dbraw/zinc/01/51/21/171015121.db2.gz VARUUGZJOCHWKX-RRFJBIMHSA-N 1 3 238.419 3.029 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/nfs/dbraw/zinc/16/98/78/177169878.db2.gz FIVPGTMIQRAFKO-APIJFGDWSA-N 1 3 238.419 3.028 10 0 BGAEHO C[C@H]1CCCC[C@H]1[N@@H+]1CC[C@@H](C)N[C@@H](C)CC1 ZINC000049665295 177170668 /nfs/dbraw/zinc/17/06/68/177170668.db2.gz FIVPGTMIQRAFKO-BYNSBNAKSA-N 1 3 238.419 3.028 10 0 BGAEHO C[C@H]1CCCC[C@H]1[N@H+]1CC[C@@H](C)N[C@@H](C)CC1 ZINC000049665295 177170667 /nfs/dbraw/zinc/17/06/67/177170667.db2.gz FIVPGTMIQRAFKO-BYNSBNAKSA-N 1 3 238.419 3.028 10 0 BGAEHO CC[C@@H]1CC[N@H+](C2CCC(C)CC2)CCCN1 ZINC000049665426 171009080 /nfs/dbraw/zinc/00/90/80/171009080.db2.gz KVCJJHGCXFDEKC-SHARSMKWSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[C@@H]1CC[N@@H+](C2CCC(C)CC2)CCCN1 ZINC000049665426 171009078 /nfs/dbraw/zinc/00/90/78/171009078.db2.gz KVCJJHGCXFDEKC-SHARSMKWSA-N 1 3 238.419 3.029 10 0 BGAEHO CC1CCC([N@@H+]2CC[C@@H](C)N[C@@H](C)CC2)CC1 ZINC000049665435 168160106 /nfs/dbraw/zinc/16/01/06/168160106.db2.gz DDOIYVNGSIZCPK-HFDVOGEKSA-N 1 3 238.419 3.028 10 0 BGAEHO CC1CCC([N@H+]2CC[C@@H](C)N[C@@H](C)CC2)CC1 ZINC000049665435 168160103 /nfs/dbraw/zinc/16/01/03/168160103.db2.gz DDOIYVNGSIZCPK-HFDVOGEKSA-N 1 3 238.419 3.028 10 0 BGAEHO CC1CCC([NH+]2CC[C@@H](C)N[C@H](C)CC2)CC1 ZINC000049665436 168160541 /nfs/dbraw/zinc/16/05/41/168160541.db2.gz DDOIYVNGSIZCPK-PIOWNMBXSA-N 1 3 238.419 3.028 10 0 BGAEHO CC1CCC([NH+]2CC[C@H](C)N[C@@H](C)CC2)CC1 ZINC000049665438 168159845 /nfs/dbraw/zinc/15/98/45/168159845.db2.gz DDOIYVNGSIZCPK-GQKFXUNGSA-N 1 3 238.419 3.028 10 0 BGAEHO CC[C@@H]1CC[N@H+](C2CCCCCC2)CCCN1 ZINC000049665823 171008420 /nfs/dbraw/zinc/00/84/20/171008420.db2.gz SBADZXPZEAJDBE-CQSZACIVSA-N 1 3 238.419 3.173 10 0 BGAEHO CC[C@@H]1CC[N@@H+](C2CCCCCC2)CCCN1 ZINC000049665823 171008418 /nfs/dbraw/zinc/00/84/18/171008418.db2.gz SBADZXPZEAJDBE-CQSZACIVSA-N 1 3 238.419 3.173 10 0 BGAEHO C[C@@H]1CC[N@@H+](C2CCCCCC2)CC[C@H](C)N1 ZINC000049665836 177157545 /nfs/dbraw/zinc/15/75/45/177157545.db2.gz LBTVNSALHAPGPS-OKILXGFUSA-N 1 3 238.419 3.172 10 0 BGAEHO C[C@@H]1CC[N@H+](C2CCCCCC2)CC[C@H](C)N1 ZINC000049665836 177157543 /nfs/dbraw/zinc/15/75/43/177157543.db2.gz LBTVNSALHAPGPS-OKILXGFUSA-N 1 3 238.419 3.172 10 0 BGAEHO C[C@H]1CC[NH+](C2CCCCCC2)CC[C@H](C)N1 ZINC000049665837 177157830 /nfs/dbraw/zinc/15/78/30/177157830.db2.gz LBTVNSALHAPGPS-KBPBESRZSA-N 1 3 238.419 3.172 10 0 BGAEHO C[C@@H]1CC[NH+](C2CCCCCC2)CC[C@@H](C)N1 ZINC000049665839 176166156 /nfs/dbraw/zinc/16/61/56/176166156.db2.gz LBTVNSALHAPGPS-ZIAGYGMSSA-N 1 3 238.419 3.172 10 0 BGAEHO CC[C@@H]1CC[N@H+]([C@@H]2CCC[C@H](C)C2)CCCN1 ZINC000049665878 171013853 /nfs/dbraw/zinc/01/38/53/171013853.db2.gz ADEGGXMSDNPISQ-RRFJBIMHSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](C)C2)CCCN1 ZINC000049665878 171013851 /nfs/dbraw/zinc/01/38/51/171013851.db2.gz ADEGGXMSDNPISQ-RRFJBIMHSA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H](C)N[C@@H](C)CC2)C1 ZINC000049665893 177169814 /nfs/dbraw/zinc/16/98/14/177169814.db2.gz BVSLZSVMWLMADD-KBXIAJHMSA-N 1 3 238.419 3.028 10 0 BGAEHO C[C@@H]1CCC[C@H]([N@H+]2CC[C@@H](C)N[C@@H](C)CC2)C1 ZINC000049665893 177169813 /nfs/dbraw/zinc/16/98/13/177169813.db2.gz BVSLZSVMWLMADD-KBXIAJHMSA-N 1 3 238.419 3.028 10 0 BGAEHO C[C@H]1CCC[C@H]([N@@H+]2CC[C@@H](C)N[C@@H](C)CC2)C1 ZINC000049665895 177135062 /nfs/dbraw/zinc/13/50/62/177135062.db2.gz BVSLZSVMWLMADD-XQLPTFJDSA-N 1 3 238.419 3.028 10 0 BGAEHO C[C@H]1CCC[C@H]([N@H+]2CC[C@@H](C)N[C@@H](C)CC2)C1 ZINC000049665895 177135061 /nfs/dbraw/zinc/13/50/61/177135061.db2.gz BVSLZSVMWLMADD-XQLPTFJDSA-N 1 3 238.419 3.028 10 0 BGAEHO C[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H](C)N[C@@H](C)CC2)C1 ZINC000049665896 177169749 /nfs/dbraw/zinc/16/97/49/177169749.db2.gz BVSLZSVMWLMADD-APIJFGDWSA-N 1 3 238.419 3.028 10 0 BGAEHO C[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H](C)N[C@@H](C)CC2)C1 ZINC000049665896 177169746 /nfs/dbraw/zinc/16/97/46/177169746.db2.gz BVSLZSVMWLMADD-APIJFGDWSA-N 1 3 238.419 3.028 10 0 BGAEHO C[C@H]1CCC[C@@H]([N@@H+]2CC[C@@H](C)N[C@@H](C)CC2)C1 ZINC000049665898 177121704 /nfs/dbraw/zinc/12/17/04/177121704.db2.gz BVSLZSVMWLMADD-BYNSBNAKSA-N 1 3 238.419 3.028 10 0 BGAEHO C[C@H]1CCC[C@@H]([N@H+]2CC[C@@H](C)N[C@@H](C)CC2)C1 ZINC000049665898 177121703 /nfs/dbraw/zinc/12/17/03/177121703.db2.gz BVSLZSVMWLMADD-BYNSBNAKSA-N 1 3 238.419 3.028 10 0 BGAEHO CC[C@@H]1CC[N@@H+](CC2CCCC2)CC[C@H](C)N1 ZINC000049666005 171009738 /nfs/dbraw/zinc/00/97/38/171009738.db2.gz KBXBATXZMUOGPF-DZGCQCFKSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[C@@H]1CC[N@H+](CC2CCCC2)CC[C@H](C)N1 ZINC000049666005 171009735 /nfs/dbraw/zinc/00/97/35/171009735.db2.gz KBXBATXZMUOGPF-DZGCQCFKSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[C@@H]1CC[N@H+]([C@@H](C)CC(C)C)CC[C@H](C)N1 ZINC000049666035 171014280 /nfs/dbraw/zinc/01/42/80/171014280.db2.gz FXHFTRAIPPQWDT-SOUVJXGZSA-N 1 3 240.435 3.274 10 0 BGAEHO CC[C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)CC[C@H](C)N1 ZINC000049666035 171014279 /nfs/dbraw/zinc/01/42/79/171014279.db2.gz FXHFTRAIPPQWDT-SOUVJXGZSA-N 1 3 240.435 3.274 10 0 BGAEHO CC[C@@H]1CC[N@H+]([C@@H](C)CC(C)C)C[C@H](C)CN1 ZINC000049666038 171014300 /nfs/dbraw/zinc/01/43/00/171014300.db2.gz LVQZIWLFADKTSK-QLFBSQMISA-N 1 3 240.435 3.131 10 0 BGAEHO CC[C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)C[C@H](C)CN1 ZINC000049666038 171014298 /nfs/dbraw/zinc/01/42/98/171014298.db2.gz LVQZIWLFADKTSK-QLFBSQMISA-N 1 3 240.435 3.131 10 0 BGAEHO CC[C@@H]1CC[N@@H+](CC2CCCCC2)CCCN1 ZINC000049666058 171009220 /nfs/dbraw/zinc/00/92/20/171009220.db2.gz ZGYLWVBYOMDBOU-OAHLLOKOSA-N 1 3 238.419 3.031 10 0 BGAEHO CC[C@@H]1CC[N@H+](CC2CCCCC2)CCCN1 ZINC000049666058 171009217 /nfs/dbraw/zinc/00/92/17/171009217.db2.gz ZGYLWVBYOMDBOU-OAHLLOKOSA-N 1 3 238.419 3.031 10 0 BGAEHO C[C@@H]1CC[N@H+](CC2CCCCC2)CC[C@H](C)N1 ZINC000049666070 177158827 /nfs/dbraw/zinc/15/88/27/177158827.db2.gz KUBNHYADXXSTGF-OKILXGFUSA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@@H]1CC[N@@H+](CC2CCCCC2)CC[C@H](C)N1 ZINC000049666070 177158825 /nfs/dbraw/zinc/15/88/25/177158825.db2.gz KUBNHYADXXSTGF-OKILXGFUSA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@H]1CC[NH+](CC2CCCCC2)CC[C@H](C)N1 ZINC000049666072 177158918 /nfs/dbraw/zinc/15/89/18/177158918.db2.gz KUBNHYADXXSTGF-KBPBESRZSA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@@H]1CC[NH+](CC2CCCCC2)CC[C@@H](C)N1 ZINC000049666073 176167798 /nfs/dbraw/zinc/16/77/98/176167798.db2.gz KUBNHYADXXSTGF-ZIAGYGMSSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[C@@H]1CCN(CCC2CCCC2)CCC[NH2+]1 ZINC000049666878 171009831 /nfs/dbraw/zinc/00/98/31/171009831.db2.gz UDAGCILEMBDTEG-OAHLLOKOSA-N 1 3 238.419 3.031 10 0 BGAEHO CC[C@@H]1CC[N@@H+](CCC2CCCC2)CCCN1 ZINC000049666878 171009830 /nfs/dbraw/zinc/00/98/30/171009830.db2.gz UDAGCILEMBDTEG-OAHLLOKOSA-N 1 3 238.419 3.031 10 0 BGAEHO CC[C@@H]1CC[N@H+](CCC2CCCC2)CCCN1 ZINC000049666878 171009828 /nfs/dbraw/zinc/00/98/28/171009828.db2.gz UDAGCILEMBDTEG-OAHLLOKOSA-N 1 3 238.419 3.031 10 0 BGAEHO C[C@@H]1CC[N@H+](CCC2CCCC2)CC[C@H](C)N1 ZINC000049666890 177158971 /nfs/dbraw/zinc/15/89/71/177158971.db2.gz JVXXBGVFBSIVKV-OKILXGFUSA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@@H]1CC[N@@H+](CCC2CCCC2)CC[C@H](C)N1 ZINC000049666890 177158968 /nfs/dbraw/zinc/15/89/68/177158968.db2.gz JVXXBGVFBSIVKV-OKILXGFUSA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@H]1CC[NH+](CCC2CCCC2)CC[C@H](C)N1 ZINC000049666892 177158680 /nfs/dbraw/zinc/15/86/80/177158680.db2.gz JVXXBGVFBSIVKV-KBPBESRZSA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@@H]1CC[NH+](CCC2CCCC2)CC[C@@H](C)N1 ZINC000049666894 176168134 /nfs/dbraw/zinc/16/81/34/176168134.db2.gz JVXXBGVFBSIVKV-ZIAGYGMSSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[C@H](C)[C@H](C)[N@H+]1CC[C@@H](CC)NC[C@@H](C)C1 ZINC000049667232 171386211 /nfs/dbraw/zinc/38/62/11/171386211.db2.gz NMJZUUVEMRRMFD-CBBWQLFWSA-N 1 3 240.435 3.131 10 0 BGAEHO CC[C@H](C)[C@H](C)[N@@H+]1CC[C@@H](CC)NC[C@@H](C)C1 ZINC000049667232 171386209 /nfs/dbraw/zinc/38/62/09/171386209.db2.gz NMJZUUVEMRRMFD-CBBWQLFWSA-N 1 3 240.435 3.131 10 0 BGAEHO CN[C@@H]1CC[N@H+](C2CCCCCCC2)[C@H](C)C1 ZINC000049707703 188125743 /nfs/dbraw/zinc/12/57/43/188125743.db2.gz FKZPSEVTKVQXLE-ZIAGYGMSSA-N 1 3 238.419 3.172 10 0 BGAEHO CN[C@@H]1CC[N@@H+](C2CCCCCCC2)[C@H](C)C1 ZINC000049707703 188125742 /nfs/dbraw/zinc/12/57/42/188125742.db2.gz FKZPSEVTKVQXLE-ZIAGYGMSSA-N 1 3 238.419 3.172 10 0 BGAEHO CCC[NH2+][C@@H]1CCN(C2CCCCC2)C[C@@H]1C ZINC000049709174 169282408 /nfs/dbraw/zinc/28/24/08/169282408.db2.gz NVTBPIKCNZSPSM-DZGCQCFKSA-N 1 3 238.419 3.029 10 0 BGAEHO CCC[NH2+][C@H]1CCN(C2CCCCC2)C[C@@H]1C ZINC000049709176 169291977 /nfs/dbraw/zinc/29/19/77/169291977.db2.gz NVTBPIKCNZSPSM-ZFWWWQNUSA-N 1 3 238.419 3.029 10 0 BGAEHO CCCN[C@@H]1CC[N@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709198 169281619 /nfs/dbraw/zinc/28/16/19/169281619.db2.gz SEXWVTQUSYBPGS-ZIAGYGMSSA-N 1 3 238.419 3.172 10 0 BGAEHO CCCN[C@@H]1CC[N@@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709198 169281617 /nfs/dbraw/zinc/28/16/17/169281617.db2.gz SEXWVTQUSYBPGS-ZIAGYGMSSA-N 1 3 238.419 3.172 10 0 BGAEHO CCC[NH2+][C@@H]1CCN(C2CCCCC2)[C@H](C)C1 ZINC000049709198 169281613 /nfs/dbraw/zinc/28/16/13/169281613.db2.gz SEXWVTQUSYBPGS-ZIAGYGMSSA-N 1 3 238.419 3.172 10 0 BGAEHO CCCN[C@H]1CC[N@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709201 169292050 /nfs/dbraw/zinc/29/20/50/169292050.db2.gz SEXWVTQUSYBPGS-KGLIPLIRSA-N 1 3 238.419 3.172 10 0 BGAEHO CCCN[C@H]1CC[N@@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709201 169292049 /nfs/dbraw/zinc/29/20/49/169292049.db2.gz SEXWVTQUSYBPGS-KGLIPLIRSA-N 1 3 238.419 3.172 10 0 BGAEHO CCC[NH2+][C@H]1CCN(C2CCCCC2)[C@H](C)C1 ZINC000049709201 169292048 /nfs/dbraw/zinc/29/20/48/169292048.db2.gz SEXWVTQUSYBPGS-KGLIPLIRSA-N 1 3 238.419 3.172 10 0 BGAEHO CCN[C@@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000049709521 170152964 /nfs/dbraw/zinc/15/29/64/170152964.db2.gz UNOCLDSRPRPTGP-GBJTYRQASA-N 1 3 238.419 3.028 10 0 BGAEHO CCN[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000049709521 170152963 /nfs/dbraw/zinc/15/29/63/170152963.db2.gz UNOCLDSRPRPTGP-GBJTYRQASA-N 1 3 238.419 3.028 10 0 BGAEHO CC[NH2+][C@@H]1CCN(C2CCC(C)CC2)[C@H](C)C1 ZINC000049709763 170151679 /nfs/dbraw/zinc/15/16/79/170151679.db2.gz ABXMVLPNGLJFJP-PIOWNMBXSA-N 1 3 238.419 3.028 10 0 BGAEHO CCN[C@@H]1CC[N@H+](C2CCC(C)CC2)[C@H](C)C1 ZINC000049709763 170151678 /nfs/dbraw/zinc/15/16/78/170151678.db2.gz ABXMVLPNGLJFJP-PIOWNMBXSA-N 1 3 238.419 3.028 10 0 BGAEHO CCN[C@@H]1CC[N@@H+](C2CCC(C)CC2)[C@H](C)C1 ZINC000049709763 170151677 /nfs/dbraw/zinc/15/16/77/170151677.db2.gz ABXMVLPNGLJFJP-PIOWNMBXSA-N 1 3 238.419 3.028 10 0 BGAEHO CC[NH2+][C@H]1CCN(C2CCC(C)CC2)[C@H](C)C1 ZINC000049709765 170166534 /nfs/dbraw/zinc/16/65/34/170166534.db2.gz ABXMVLPNGLJFJP-FUUBYGMNSA-N 1 3 238.419 3.028 10 0 BGAEHO CCN[C@H]1CC[N@H+](C2CCC(C)CC2)[C@H](C)C1 ZINC000049709765 170166532 /nfs/dbraw/zinc/16/65/32/170166532.db2.gz ABXMVLPNGLJFJP-FUUBYGMNSA-N 1 3 238.419 3.028 10 0 BGAEHO CCN[C@H]1CC[N@@H+](C2CCC(C)CC2)[C@H](C)C1 ZINC000049709765 170166530 /nfs/dbraw/zinc/16/65/30/170166530.db2.gz ABXMVLPNGLJFJP-FUUBYGMNSA-N 1 3 238.419 3.028 10 0 BGAEHO CC[NH2+][C@@H]1CCN(C2CCCCCC2)C[C@@H]1C ZINC000049710511 170152163 /nfs/dbraw/zinc/15/21/63/170152163.db2.gz BYLPBOHSLABYLG-DZGCQCFKSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@@H]1CC[N@H+](C2CCCCCC2)C[C@@H]1C ZINC000049710511 170152161 /nfs/dbraw/zinc/15/21/61/170152161.db2.gz BYLPBOHSLABYLG-DZGCQCFKSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@@H]1CC[N@@H+](C2CCCCCC2)C[C@@H]1C ZINC000049710511 170152159 /nfs/dbraw/zinc/15/21/59/170152159.db2.gz BYLPBOHSLABYLG-DZGCQCFKSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[NH2+][C@H]1CCN(C2CCCCCC2)C[C@@H]1C ZINC000049710513 170167024 /nfs/dbraw/zinc/16/70/24/170167024.db2.gz BYLPBOHSLABYLG-ZFWWWQNUSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@H]1CC[N@H+](C2CCCCCC2)C[C@@H]1C ZINC000049710513 170167022 /nfs/dbraw/zinc/16/70/22/170167022.db2.gz BYLPBOHSLABYLG-ZFWWWQNUSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@H]1CC[N@@H+](C2CCCCCC2)C[C@@H]1C ZINC000049710513 170167021 /nfs/dbraw/zinc/16/70/21/170167021.db2.gz BYLPBOHSLABYLG-ZFWWWQNUSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@@H]1CC[N@H+](C2CCCCCC2)[C@H](C)C1 ZINC000049710542 170152325 /nfs/dbraw/zinc/15/23/25/170152325.db2.gz WRJHMORTMOFYRZ-ZIAGYGMSSA-N 1 3 238.419 3.172 10 0 BGAEHO CCN[C@@H]1CC[N@@H+](C2CCCCCC2)[C@H](C)C1 ZINC000049710542 170152324 /nfs/dbraw/zinc/15/23/24/170152324.db2.gz WRJHMORTMOFYRZ-ZIAGYGMSSA-N 1 3 238.419 3.172 10 0 BGAEHO CCN[C@H]1CC[N@H+](C2CCCCCC2)[C@H](C)C1 ZINC000049710545 170167223 /nfs/dbraw/zinc/16/72/23/170167223.db2.gz WRJHMORTMOFYRZ-KGLIPLIRSA-N 1 3 238.419 3.172 10 0 BGAEHO CCN[C@H]1CC[N@@H+](C2CCCCCC2)[C@H](C)C1 ZINC000049710545 170167221 /nfs/dbraw/zinc/16/72/21/170167221.db2.gz WRJHMORTMOFYRZ-KGLIPLIRSA-N 1 3 238.419 3.172 10 0 BGAEHO CCN[C@@H]1CC[N@H+]([C@@H]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000049710653 170152814 /nfs/dbraw/zinc/15/28/14/170152814.db2.gz DWRJSADSHCOEEL-GBJTYRQASA-N 1 3 238.419 3.028 10 0 BGAEHO CCN[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000049710653 170152813 /nfs/dbraw/zinc/15/28/13/170152813.db2.gz DWRJSADSHCOEEL-GBJTYRQASA-N 1 3 238.419 3.028 10 0 BGAEHO CCC[NH2+][C@@H]1CCN(CC2CCCC2)[C@H](C)C1 ZINC000049710699 169281924 /nfs/dbraw/zinc/28/19/24/169281924.db2.gz PGWCRFMSKLTWEN-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CCC[NH2+][C@H]1CCN(CC2CCCC2)[C@H](C)C1 ZINC000049710701 169291887 /nfs/dbraw/zinc/29/18/87/169291887.db2.gz PGWCRFMSKLTWEN-HIFRSBDPSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@@H]1CC[N@@H+](CC2CCCCC2)[C@H](C)C1 ZINC000049710749 170151476 /nfs/dbraw/zinc/15/14/76/170151476.db2.gz YTMNMVWGZVQINZ-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@@H]1CC[N@H+](CC2CCCCC2)[C@H](C)C1 ZINC000049710749 170151475 /nfs/dbraw/zinc/15/14/75/170151475.db2.gz YTMNMVWGZVQINZ-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[NH2+][C@@H]1CCN(CC2CCCCC2)[C@H](C)C1 ZINC000049710749 170151473 /nfs/dbraw/zinc/15/14/73/170151473.db2.gz YTMNMVWGZVQINZ-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@H]1CC[N@@H+](CC2CCCCC2)[C@H](C)C1 ZINC000049710751 170166862 /nfs/dbraw/zinc/16/68/62/170166862.db2.gz YTMNMVWGZVQINZ-HIFRSBDPSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@H]1CC[N@H+](CC2CCCCC2)[C@H](C)C1 ZINC000049710751 170166861 /nfs/dbraw/zinc/16/68/61/170166861.db2.gz YTMNMVWGZVQINZ-HIFRSBDPSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[NH2+][C@H]1CCN(CC2CCCCC2)[C@H](C)C1 ZINC000049710751 170166860 /nfs/dbraw/zinc/16/68/60/170166860.db2.gz YTMNMVWGZVQINZ-HIFRSBDPSA-N 1 3 238.419 3.029 10 0 BGAEHO CCC[NH2+][C@@H]1CCN([C@@H](C)CC(C)C)C[C@@H]1C ZINC000049710769 169283320 /nfs/dbraw/zinc/28/33/20/169283320.db2.gz KEPQRKTXDGRTGQ-SOUVJXGZSA-N 1 3 240.435 3.131 10 0 BGAEHO CCC[NH2+][C@H]1CCN([C@@H](C)CC(C)C)C[C@@H]1C ZINC000049710771 169291817 /nfs/dbraw/zinc/29/18/17/169291817.db2.gz KEPQRKTXDGRTGQ-KKUMJFAQSA-N 1 3 240.435 3.131 10 0 BGAEHO CCCN[C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)[C@H](C)C1 ZINC000049710794 169282734 /nfs/dbraw/zinc/28/27/34/169282734.db2.gz KFESKUUGJWAXPB-RRFJBIMHSA-N 1 3 240.435 3.274 10 0 BGAEHO CCCN[C@@H]1CC[N@H+]([C@@H](C)CC(C)C)[C@H](C)C1 ZINC000049710794 169282733 /nfs/dbraw/zinc/28/27/33/169282733.db2.gz KFESKUUGJWAXPB-RRFJBIMHSA-N 1 3 240.435 3.274 10 0 BGAEHO CCC[NH2+][C@@H]1CCN([C@@H](C)CC(C)C)[C@H](C)C1 ZINC000049710794 169282731 /nfs/dbraw/zinc/28/27/31/169282731.db2.gz KFESKUUGJWAXPB-RRFJBIMHSA-N 1 3 240.435 3.274 10 0 BGAEHO CCN[C@@H]1CC[N@@H+](CCC2CCCC2)[C@H](C)C1 ZINC000049713051 170152297 /nfs/dbraw/zinc/15/22/97/170152297.db2.gz AHACRVISJHBVQZ-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@@H]1CC[N@H+](CCC2CCCC2)[C@H](C)C1 ZINC000049713051 170152296 /nfs/dbraw/zinc/15/22/96/170152296.db2.gz AHACRVISJHBVQZ-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[NH2+][C@@H]1CCN(CCC2CCCC2)[C@H](C)C1 ZINC000049713051 170152295 /nfs/dbraw/zinc/15/22/95/170152295.db2.gz AHACRVISJHBVQZ-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@H]1CC[N@@H+](CCC2CCCC2)[C@H](C)C1 ZINC000049713052 170166955 /nfs/dbraw/zinc/16/69/55/170166955.db2.gz AHACRVISJHBVQZ-HIFRSBDPSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@H]1CC[N@H+](CCC2CCCC2)[C@H](C)C1 ZINC000049713052 170166954 /nfs/dbraw/zinc/16/69/54/170166954.db2.gz AHACRVISJHBVQZ-HIFRSBDPSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[NH2+][C@H]1CCN(CCC2CCCC2)[C@H](C)C1 ZINC000049713052 170166952 /nfs/dbraw/zinc/16/69/52/170166952.db2.gz AHACRVISJHBVQZ-HIFRSBDPSA-N 1 3 238.419 3.029 10 0 BGAEHO CN[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000049713069 188299255 /nfs/dbraw/zinc/29/92/55/188299255.db2.gz BDVNBUQPHMOALV-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CN[C@@H]1CC[N@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000049713069 188299253 /nfs/dbraw/zinc/29/92/53/188299253.db2.gz BDVNBUQPHMOALV-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO C[NH2+][C@@H]1CCN(CCC2CCCCC2)[C@H](C)C1 ZINC000049713069 188299251 /nfs/dbraw/zinc/29/92/51/188299251.db2.gz BDVNBUQPHMOALV-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CCC[NH2+][C@@H]1CCN([C@@H](C)[C@@H](C)CC)C[C@@H]1C ZINC000049713305 169283153 /nfs/dbraw/zinc/28/31/53/169283153.db2.gz PEMMYBMXWYNJRS-ZQDZILKHSA-N 1 3 240.435 3.131 10 0 BGAEHO CCC[NH2+][C@H]1CCN([C@@H](C)[C@@H](C)CC)C[C@@H]1C ZINC000049713306 169291705 /nfs/dbraw/zinc/29/17/05/169291705.db2.gz PEMMYBMXWYNJRS-AJNGGQMLSA-N 1 3 240.435 3.131 10 0 BGAEHO CCC[NH2+][C@@H]1CCN([C@@H](CC)C(C)C)C[C@@H]1C ZINC000049713465 169282744 /nfs/dbraw/zinc/28/27/44/169282744.db2.gz SWTJBKBYZQLOTI-ZNMIVQPWSA-N 1 3 240.435 3.131 10 0 BGAEHO CCCN[C@@H]1CC[N@H+]([C@@H](CC)C(C)C)C[C@@H]1C ZINC000049713465 169282742 /nfs/dbraw/zinc/28/27/42/169282742.db2.gz SWTJBKBYZQLOTI-ZNMIVQPWSA-N 1 3 240.435 3.131 10 0 BGAEHO CCCN[C@@H]1CC[N@@H+]([C@@H](CC)C(C)C)C[C@@H]1C ZINC000049713465 169282741 /nfs/dbraw/zinc/28/27/41/169282741.db2.gz SWTJBKBYZQLOTI-ZNMIVQPWSA-N 1 3 240.435 3.131 10 0 BGAEHO CCC[NH2+][C@H]1CCN([C@@H](CC)C(C)C)C[C@@H]1C ZINC000049713466 169291969 /nfs/dbraw/zinc/29/19/69/169291969.db2.gz SWTJBKBYZQLOTI-KKUMJFAQSA-N 1 3 240.435 3.131 10 0 BGAEHO CCCN[C@H]1CC[N@H+]([C@@H](CC)C(C)C)C[C@@H]1C ZINC000049713466 169291968 /nfs/dbraw/zinc/29/19/68/169291968.db2.gz SWTJBKBYZQLOTI-KKUMJFAQSA-N 1 3 240.435 3.131 10 0 BGAEHO CCCN[C@H]1CC[N@@H+]([C@@H](CC)C(C)C)C[C@@H]1C ZINC000049713466 169291967 /nfs/dbraw/zinc/29/19/67/169291967.db2.gz SWTJBKBYZQLOTI-KKUMJFAQSA-N 1 3 240.435 3.131 10 0 BGAEHO CCC[NH2+][C@@H]1CCN([C@@H](CC)C(C)C)[C@H](C)C1 ZINC000049713475 169283233 /nfs/dbraw/zinc/28/32/33/169283233.db2.gz VVKUIKNBUBPZGK-KFWWJZLASA-N 1 3 240.435 3.274 10 0 BGAEHO CCCN[C@@H]1CC[N@@H+]([C@@H](CC)C(C)C)[C@H](C)C1 ZINC000049713475 169283231 /nfs/dbraw/zinc/28/32/31/169283231.db2.gz VVKUIKNBUBPZGK-KFWWJZLASA-N 1 3 240.435 3.274 10 0 BGAEHO CCCN[C@@H]1CC[N@H+]([C@@H](CC)C(C)C)[C@H](C)C1 ZINC000049713475 169283230 /nfs/dbraw/zinc/28/32/30/169283230.db2.gz VVKUIKNBUBPZGK-KFWWJZLASA-N 1 3 240.435 3.274 10 0 BGAEHO CCC[NH2+]CCCN1CCC(C(C)(C)C)CC1 ZINC000050347836 169257394 /nfs/dbraw/zinc/25/73/94/169257394.db2.gz ROJDPPJQKQZLPB-UHFFFAOYSA-N 1 3 240.435 3.134 10 0 BGAEHO CCCC[C@H](N)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000050348952 169009386 /nfs/dbraw/zinc/00/93/86/169009386.db2.gz LOMXWVYYETYJKV-AWEZNQCLSA-N 1 3 240.435 3.262 10 0 BGAEHO CC[C@H](C)C[N@@H+](CCCN)C1CCCCCC1 ZINC000050424167 171278847 /nfs/dbraw/zinc/27/88/47/171278847.db2.gz SCXJNZIBNLLORD-AWEZNQCLSA-N 1 3 240.435 3.406 10 0 BGAEHO CC[C@H](C)C[N@H+](CCCN)C1CCCCCC1 ZINC000050424167 171278845 /nfs/dbraw/zinc/27/88/45/171278845.db2.gz SCXJNZIBNLLORD-AWEZNQCLSA-N 1 3 240.435 3.406 10 0 BGAEHO CCC[NH2+]C[C@](C)(CCC)CN1CCC[C@@H]1C ZINC000051205529 169264556 /nfs/dbraw/zinc/26/45/56/169264556.db2.gz VHIDKQUUOCUERC-GJZGRUSLSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+]C[C@@](C)(CCC)CN1CCC[C@@H]1C ZINC000051205532 169263975 /nfs/dbraw/zinc/26/39/75/169263975.db2.gz VHIDKQUUOCUERC-LSDHHAIUSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC(CC)(CNC(C)C)C[N@H+]1CCC[C@@H]1C ZINC000051205688 168325408 /nfs/dbraw/zinc/32/54/08/168325408.db2.gz QMQSOKITCXSSGN-AWEZNQCLSA-N 1 3 240.435 3.275 10 0 BGAEHO CCC(CC)(CNC(C)C)C[N@@H+]1CCC[C@@H]1C ZINC000051205688 168325407 /nfs/dbraw/zinc/32/54/07/168325407.db2.gz QMQSOKITCXSSGN-AWEZNQCLSA-N 1 3 240.435 3.275 10 0 BGAEHO CCC(CC)(C[NH2+]C(C)C)CN1CCC[C@@H]1C ZINC000051205688 168325404 /nfs/dbraw/zinc/32/54/04/168325404.db2.gz QMQSOKITCXSSGN-AWEZNQCLSA-N 1 3 240.435 3.275 10 0 BGAEHO CCC(CC)(CNC(C)C)C[N@H+]1CCC[C@H]1C ZINC000051205689 168325908 /nfs/dbraw/zinc/32/59/08/168325908.db2.gz QMQSOKITCXSSGN-CQSZACIVSA-N 1 3 240.435 3.275 10 0 BGAEHO CCC(CC)(CNC(C)C)C[N@@H+]1CCC[C@H]1C ZINC000051205689 168325906 /nfs/dbraw/zinc/32/59/06/168325906.db2.gz QMQSOKITCXSSGN-CQSZACIVSA-N 1 3 240.435 3.275 10 0 BGAEHO CCC(CC)(C[NH2+]C(C)C)CN1CCC[C@H]1C ZINC000051205689 168325903 /nfs/dbraw/zinc/32/59/03/168325903.db2.gz QMQSOKITCXSSGN-CQSZACIVSA-N 1 3 240.435 3.275 10 0 BGAEHO CC[NH2+]CC1(CN2CCC[C@@H]2C)CCCCC1 ZINC000051205713 170111276 /nfs/dbraw/zinc/11/12/76/170111276.db2.gz AEBQZVYYBNVMCT-AWEZNQCLSA-N 1 3 238.419 3.031 10 0 BGAEHO CCNCC1(C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC000051205713 170111274 /nfs/dbraw/zinc/11/12/74/170111274.db2.gz AEBQZVYYBNVMCT-AWEZNQCLSA-N 1 3 238.419 3.031 10 0 BGAEHO CCNCC1(C[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC000051205713 170111272 /nfs/dbraw/zinc/11/12/72/170111272.db2.gz AEBQZVYYBNVMCT-AWEZNQCLSA-N 1 3 238.419 3.031 10 0 BGAEHO CC[NH2+]CC1(CN2CCC[C@H]2C)CCCCC1 ZINC000051205716 170110465 /nfs/dbraw/zinc/11/04/65/170110465.db2.gz AEBQZVYYBNVMCT-CQSZACIVSA-N 1 3 238.419 3.031 10 0 BGAEHO CCNCC1(C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC000051205716 170110463 /nfs/dbraw/zinc/11/04/63/170110463.db2.gz AEBQZVYYBNVMCT-CQSZACIVSA-N 1 3 238.419 3.031 10 0 BGAEHO CCNCC1(C[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC000051205716 170110460 /nfs/dbraw/zinc/11/04/60/170110460.db2.gz AEBQZVYYBNVMCT-CQSZACIVSA-N 1 3 238.419 3.031 10 0 BGAEHO CC1CCN(CC(C)(C)C[NH2+]C(C)(C)C)CC1 ZINC000051207857 168179224 /nfs/dbraw/zinc/17/92/24/168179224.db2.gz VDGUURWVCYLXCY-UHFFFAOYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[C@](C)(C[NH2+]CC(C)C)CN1CCCC1 ZINC000051208014 169544172 /nfs/dbraw/zinc/54/41/72/169544172.db2.gz BAULNAPLVCVTDB-OAHLLOKOSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC(CC)(C[NH2+]CC(C)C)CN1CCCC1 ZINC000051208088 168325482 /nfs/dbraw/zinc/32/54/82/168325482.db2.gz VCHYYYBQJVWNNB-UHFFFAOYSA-N 1 3 240.435 3.134 10 0 BGAEHO CCNCC(CC)(CC)C[N@H+]1CCCC[C@@H]1C ZINC000051208883 170110365 /nfs/dbraw/zinc/11/03/65/170110365.db2.gz RRSKVCYUMKLUID-AWEZNQCLSA-N 1 3 240.435 3.277 10 0 BGAEHO CCNCC(CC)(CC)C[N@@H+]1CCCC[C@@H]1C ZINC000051208883 170110363 /nfs/dbraw/zinc/11/03/63/170110363.db2.gz RRSKVCYUMKLUID-AWEZNQCLSA-N 1 3 240.435 3.277 10 0 BGAEHO CC[NH2+]CC(CC)(CC)CN1CCCC[C@@H]1C ZINC000051208883 170110361 /nfs/dbraw/zinc/11/03/61/170110361.db2.gz RRSKVCYUMKLUID-AWEZNQCLSA-N 1 3 240.435 3.277 10 0 BGAEHO CCNCC(CC)(CC)C[N@H+]1CCCC[C@H]1C ZINC000051208887 170110539 /nfs/dbraw/zinc/11/05/39/170110539.db2.gz RRSKVCYUMKLUID-CQSZACIVSA-N 1 3 240.435 3.277 10 0 BGAEHO CCNCC(CC)(CC)C[N@@H+]1CCCC[C@H]1C ZINC000051208887 170110537 /nfs/dbraw/zinc/11/05/37/170110537.db2.gz RRSKVCYUMKLUID-CQSZACIVSA-N 1 3 240.435 3.277 10 0 BGAEHO CC[NH2+]CC(CC)(CC)CN1CCCC[C@H]1C ZINC000051208887 170110535 /nfs/dbraw/zinc/11/05/35/170110535.db2.gz RRSKVCYUMKLUID-CQSZACIVSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+]C[C@@](C)(CC)CN1CCCC[C@@H]1C ZINC000051209018 169263536 /nfs/dbraw/zinc/26/35/36/169263536.db2.gz GVOYMIBFABSTAQ-LSDHHAIUSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+]C[C@](C)(CC)CN1CCCC[C@@H]1C ZINC000051209021 169264736 /nfs/dbraw/zinc/26/47/36/169264736.db2.gz GVOYMIBFABSTAQ-GJZGRUSLSA-N 1 3 240.435 3.277 10 0 BGAEHO CC[NH2+]CC(CC)(CC)CN1CCC[C@H](C)C1 ZINC000051210196 170110688 /nfs/dbraw/zinc/11/06/88/170110688.db2.gz XWTJJCGDYQCZHM-AWEZNQCLSA-N 1 3 240.435 3.134 10 0 BGAEHO CCNCC(CC)(CC)C[N@H+]1CCC[C@H](C)C1 ZINC000051210196 170110687 /nfs/dbraw/zinc/11/06/87/170110687.db2.gz XWTJJCGDYQCZHM-AWEZNQCLSA-N 1 3 240.435 3.134 10 0 BGAEHO CCNCC(CC)(CC)C[N@@H+]1CCC[C@H](C)C1 ZINC000051210196 170110685 /nfs/dbraw/zinc/11/06/85/170110685.db2.gz XWTJJCGDYQCZHM-AWEZNQCLSA-N 1 3 240.435 3.134 10 0 BGAEHO CC[NH2+]CC(CC)(CC)CN1CCC[C@@H](C)C1 ZINC000051210200 170110522 /nfs/dbraw/zinc/11/05/22/170110522.db2.gz XWTJJCGDYQCZHM-CQSZACIVSA-N 1 3 240.435 3.134 10 0 BGAEHO CCNCC(CC)(CC)C[N@H+]1CCC[C@@H](C)C1 ZINC000051210200 170110520 /nfs/dbraw/zinc/11/05/20/170110520.db2.gz XWTJJCGDYQCZHM-CQSZACIVSA-N 1 3 240.435 3.134 10 0 BGAEHO CCNCC(CC)(CC)C[N@@H+]1CCC[C@@H](C)C1 ZINC000051210200 170110517 /nfs/dbraw/zinc/11/05/17/170110517.db2.gz XWTJJCGDYQCZHM-CQSZACIVSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[NH2+]C[C@@](C)(CC)CN1CCC[C@H](C)C1 ZINC000051210301 169263515 /nfs/dbraw/zinc/26/35/15/169263515.db2.gz QAHBUYZAMUZCKS-LSDHHAIUSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[NH2+]C[C@](C)(CC)CN1CCC[C@H](C)C1 ZINC000051210303 169264434 /nfs/dbraw/zinc/26/44/34/169264434.db2.gz QAHBUYZAMUZCKS-GJZGRUSLSA-N 1 3 240.435 3.134 10 0 BGAEHO CC(C)C[NH2+]CC1(CN(C)C(C)C)CCCC1 ZINC000051210881 167003884 /nfs/dbraw/zinc/00/38/84/167003884.db2.gz BKYBVTOUHLRYGJ-UHFFFAOYSA-N 1 3 240.435 3.133 10 0 BGAEHO CC(C)[NH2+]CC1(CN(C)C(C)C)CCCCC1 ZINC000051210940 167100692 /nfs/dbraw/zinc/10/06/92/167100692.db2.gz MYNZGDVXAQUVJF-UHFFFAOYSA-N 1 3 240.435 3.275 10 0 BGAEHO CCC[NH2+]C[C@](C)(CCC)CN1CCCCC1 ZINC000051211032 169264829 /nfs/dbraw/zinc/26/48/29/169264829.db2.gz FBFAMDVWLXYTGD-HNNXBMFYSA-N 1 3 240.435 3.278 10 0 BGAEHO CCC[NH2+]C[C@@](C)(CCC)CN1CCCCC1 ZINC000051211034 169263084 /nfs/dbraw/zinc/26/30/84/169263084.db2.gz FBFAMDVWLXYTGD-OAHLLOKOSA-N 1 3 240.435 3.278 10 0 BGAEHO CC[C@@](C)(C[NH2+]C(C)(C)C)CN1CCCCC1 ZINC000051211200 171167075 /nfs/dbraw/zinc/16/70/75/171167075.db2.gz MFHTVYQCEKLOSI-HNNXBMFYSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH+](CCC)CC1(CNCC)CCCC1 ZINC000051211223 169147842 /nfs/dbraw/zinc/14/78/42/169147842.db2.gz RVANIASYBWJLPV-UHFFFAOYSA-N 1 3 240.435 3.278 10 0 BGAEHO CCC[NH+](CCC)C[C@@](C)(CC)CNC1CC1 ZINC000051211337 169149735 /nfs/dbraw/zinc/14/97/35/169149735.db2.gz BDYGUJFHLGELPO-HNNXBMFYSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH+](CCC)C[C@](C)(CC)CNC1CC1 ZINC000051211339 169149166 /nfs/dbraw/zinc/14/91/66/169149166.db2.gz BDYGUJFHLGELPO-OAHLLOKOSA-N 1 3 240.435 3.277 10 0 BGAEHO CC[C@@](C)(C[NH3+])CN(Cc1ccccc1)C(C)C ZINC000051211964 171166836 /nfs/dbraw/zinc/16/68/36/171166836.db2.gz GAUWYIUAXWXHRE-INIZCTEOSA-N 1 3 248.414 3.272 10 0 BGAEHO CCC[C@](C)(CNC)C[NH+]1CCCCCCC1 ZINC000051213943 169544145 /nfs/dbraw/zinc/54/41/45/169544145.db2.gz QQAOZFAHJQSRDI-OAHLLOKOSA-N 1 3 240.435 3.278 10 0 BGAEHO CC[C@H](C)[N@@H+](C)CC1(CNC(C)C)CCCC1 ZINC000051214661 171305024 /nfs/dbraw/zinc/30/50/24/171305024.db2.gz SDBISCXOKPKCNU-AWEZNQCLSA-N 1 3 240.435 3.275 10 0 BGAEHO CC[C@H](C)[N@H+](C)CC1(CNC(C)C)CCCC1 ZINC000051214661 171305022 /nfs/dbraw/zinc/30/50/22/171305022.db2.gz SDBISCXOKPKCNU-AWEZNQCLSA-N 1 3 240.435 3.275 10 0 BGAEHO CC[C@H](C)N(C)CC1(C[NH2+]C(C)C)CCCC1 ZINC000051214661 171305019 /nfs/dbraw/zinc/30/50/19/171305019.db2.gz SDBISCXOKPKCNU-AWEZNQCLSA-N 1 3 240.435 3.275 10 0 BGAEHO CCC[NH2+]CC1(CN(CC)CCC)CCCC1 ZINC000051214780 169257450 /nfs/dbraw/zinc/25/74/50/169257450.db2.gz DHZVUZBADFPUJN-UHFFFAOYSA-N 1 3 240.435 3.278 10 0 BGAEHO CCCN(CC)CC(CC)(CC)C[NH2+]C1CC1 ZINC000051214808 169121479 /nfs/dbraw/zinc/12/14/79/169121479.db2.gz VSSDRXNCMUWJDK-UHFFFAOYSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[N@@H+](CC)CC(CC)(CC)CNC1CC1 ZINC000051214808 169121478 /nfs/dbraw/zinc/12/14/78/169121478.db2.gz VSSDRXNCMUWJDK-UHFFFAOYSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[N@H+](CC)CC(CC)(CC)CNC1CC1 ZINC000051214808 169121475 /nfs/dbraw/zinc/12/14/75/169121475.db2.gz VSSDRXNCMUWJDK-UHFFFAOYSA-N 1 3 240.435 3.277 10 0 BGAEHO CCCNCC(C)(C)C[N@H+]1CCCC[C@@H]1CC ZINC000051215244 169255987 /nfs/dbraw/zinc/25/59/87/169255987.db2.gz PAONZJDMLMRQMA-AWEZNQCLSA-N 1 3 240.435 3.277 10 0 BGAEHO CCCNCC(C)(C)C[N@@H+]1CCCC[C@@H]1CC ZINC000051215244 169255985 /nfs/dbraw/zinc/25/59/85/169255985.db2.gz PAONZJDMLMRQMA-AWEZNQCLSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+]CC(C)(C)CN1CCCC[C@@H]1CC ZINC000051215244 169255984 /nfs/dbraw/zinc/25/59/84/169255984.db2.gz PAONZJDMLMRQMA-AWEZNQCLSA-N 1 3 240.435 3.277 10 0 BGAEHO CCCNCC(C)(C)C[N@H+]1CCCC[C@H]1CC ZINC000051215245 169255470 /nfs/dbraw/zinc/25/54/70/169255470.db2.gz PAONZJDMLMRQMA-CQSZACIVSA-N 1 3 240.435 3.277 10 0 BGAEHO CCCNCC(C)(C)C[N@@H+]1CCCC[C@H]1CC ZINC000051215245 169255468 /nfs/dbraw/zinc/25/54/68/169255468.db2.gz PAONZJDMLMRQMA-CQSZACIVSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+]CC(C)(C)CN1CCCC[C@H]1CC ZINC000051215245 169255467 /nfs/dbraw/zinc/25/54/67/169255467.db2.gz PAONZJDMLMRQMA-CQSZACIVSA-N 1 3 240.435 3.277 10 0 BGAEHO CCNCC1(C[N@@H+](CC)C(C)C)CCCCC1 ZINC000051215344 170110211 /nfs/dbraw/zinc/11/02/11/170110211.db2.gz RIHIHHIBTNZSQF-UHFFFAOYSA-N 1 3 240.435 3.277 10 0 BGAEHO CCNCC1(C[N@H+](CC)C(C)C)CCCCC1 ZINC000051215344 170110210 /nfs/dbraw/zinc/11/02/10/170110210.db2.gz RIHIHHIBTNZSQF-UHFFFAOYSA-N 1 3 240.435 3.277 10 0 BGAEHO CC[NH2+]CC1(CN(CC)C(C)C)CCCCC1 ZINC000051215344 170110209 /nfs/dbraw/zinc/11/02/09/170110209.db2.gz RIHIHHIBTNZSQF-UHFFFAOYSA-N 1 3 240.435 3.277 10 0 BGAEHO CCCN(C)CC1(C[NH2+]C(C)(C)C)CCCC1 ZINC000051215410 169075851 /nfs/dbraw/zinc/07/58/51/169075851.db2.gz ZDFFAPCUSROJNT-UHFFFAOYSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+]CC1(CN(C)CCC)CCCCC1 ZINC000051215439 169257378 /nfs/dbraw/zinc/25/73/78/169257378.db2.gz ZKWWFQJRTRORDS-UHFFFAOYSA-N 1 3 240.435 3.278 10 0 BGAEHO CC[C@@](C)(C[NH2+]C(C)C)CN(C)C1CCCC1 ZINC000051215567 171167223 /nfs/dbraw/zinc/16/72/23/171167223.db2.gz SLKSCGGYFFISSH-HNNXBMFYSA-N 1 3 240.435 3.275 10 0 BGAEHO CC[C@@](C)(CNC(C)C)C[N@@H+](C)C1CCCC1 ZINC000051215567 171167221 /nfs/dbraw/zinc/16/72/21/171167221.db2.gz SLKSCGGYFFISSH-HNNXBMFYSA-N 1 3 240.435 3.275 10 0 BGAEHO CC[C@@](C)(CNC(C)C)C[N@H+](C)C1CCCC1 ZINC000051215567 171167219 /nfs/dbraw/zinc/16/72/19/171167219.db2.gz SLKSCGGYFFISSH-HNNXBMFYSA-N 1 3 240.435 3.275 10 0 BGAEHO CCC[NH2+]C[C@](C)(CCC)CN(C)CC(C)C ZINC000051215579 169264710 /nfs/dbraw/zinc/26/47/10/169264710.db2.gz QBYAHRAGJKWEEZ-HNNXBMFYSA-N 1 3 242.451 3.380 10 0 BGAEHO CCC[NH2+]C[C@@](C)(CCC)CN(C)CC(C)C ZINC000051215580 169263193 /nfs/dbraw/zinc/26/31/93/169263193.db2.gz QBYAHRAGJKWEEZ-OAHLLOKOSA-N 1 3 242.451 3.380 10 0 BGAEHO CCC[NH2+]CC1(CN(C)CC(C)C)CCCC1 ZINC000051215589 169257687 /nfs/dbraw/zinc/25/76/87/169257687.db2.gz SETLTAZBGVMGLY-UHFFFAOYSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC(CC)(C[NH2+]C1CC1)CN(C)CC(C)C ZINC000051215617 168325199 /nfs/dbraw/zinc/32/51/99/168325199.db2.gz FEXZSIHPSNYSRW-UHFFFAOYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC(CC)(CNC1CC1)C[N@@H+](C)CC(C)C ZINC000051215617 168325198 /nfs/dbraw/zinc/32/51/98/168325198.db2.gz FEXZSIHPSNYSRW-UHFFFAOYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC(CC)(CNC1CC1)C[N@H+](C)CC(C)C ZINC000051215617 168325197 /nfs/dbraw/zinc/32/51/97/168325197.db2.gz FEXZSIHPSNYSRW-UHFFFAOYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[N@@H+](CC1(CNC)CCCCC1)C1CC1 ZINC000051215886 169133005 /nfs/dbraw/zinc/13/30/05/169133005.db2.gz STVVYIZPJGBKLU-UHFFFAOYSA-N 1 3 238.419 3.031 10 0 BGAEHO CCC[N@H+](CC1(CNC)CCCCC1)C1CC1 ZINC000051215886 169133003 /nfs/dbraw/zinc/13/30/03/169133003.db2.gz STVVYIZPJGBKLU-UHFFFAOYSA-N 1 3 238.419 3.031 10 0 BGAEHO CCCN(CC1(C[NH2+]C)CCCCC1)C1CC1 ZINC000051215886 169133000 /nfs/dbraw/zinc/13/30/00/169133000.db2.gz STVVYIZPJGBKLU-UHFFFAOYSA-N 1 3 238.419 3.031 10 0 BGAEHO CCCN(C[C@](C)(CC)C[NH2+]C(C)C)C1CC1 ZINC000051215921 169173145 /nfs/dbraw/zinc/17/31/45/169173145.db2.gz SHGYJGPNVWTZLC-OAHLLOKOSA-N 1 3 240.435 3.275 10 0 BGAEHO CC[C@H](C)CN(C)CC(C)(C)C[NH2+]C(C)(C)C ZINC000051215973 171272261 /nfs/dbraw/zinc/27/22/61/171272261.db2.gz NSSRSFWFYKPVND-ZDUSSCGKSA-N 1 3 242.451 3.379 10 0 BGAEHO CC[C@H](C)C[N@@H+](C)C[C@@](C)(CC)CNC(C)C ZINC000051216019 171272965 /nfs/dbraw/zinc/27/29/65/171272965.db2.gz PQIXDUNLGFYBOY-GJZGRUSLSA-N 1 3 242.451 3.379 10 0 BGAEHO CC[C@H](C)C[N@H+](C)C[C@@](C)(CC)CNC(C)C ZINC000051216019 171272964 /nfs/dbraw/zinc/27/29/64/171272964.db2.gz PQIXDUNLGFYBOY-GJZGRUSLSA-N 1 3 242.451 3.379 10 0 BGAEHO CC[C@H](C)CN(C)C[C@@](C)(CC)C[NH2+]C(C)C ZINC000051216019 171272963 /nfs/dbraw/zinc/27/29/63/171272963.db2.gz PQIXDUNLGFYBOY-GJZGRUSLSA-N 1 3 242.451 3.379 10 0 BGAEHO CCNCC1(C[N@@H+](C)[C@@H](C)C(C)C)CCCC1 ZINC000051217314 170110654 /nfs/dbraw/zinc/11/06/54/170110654.db2.gz CPCQKIAAECMOEN-AWEZNQCLSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNCC1(C[N@H+](C)[C@@H](C)C(C)C)CCCC1 ZINC000051217314 170110652 /nfs/dbraw/zinc/11/06/52/170110652.db2.gz CPCQKIAAECMOEN-AWEZNQCLSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNCC1(C[N@@H+](C)[C@H](C)C(C)C)CCCC1 ZINC000051217315 170111151 /nfs/dbraw/zinc/11/11/51/170111151.db2.gz CPCQKIAAECMOEN-CQSZACIVSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNCC1(C[N@H+](C)[C@H](C)C(C)C)CCCC1 ZINC000051217315 170111150 /nfs/dbraw/zinc/11/11/50/170111150.db2.gz CPCQKIAAECMOEN-CQSZACIVSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNCC(CC)(CC)C[N@@H+](C)[C@@H](C)C(C)C ZINC000051217356 170110868 /nfs/dbraw/zinc/11/08/68/170110868.db2.gz VBIRCAOKWARGFC-AWEZNQCLSA-N 1 3 242.451 3.379 10 0 BGAEHO CCNCC(CC)(CC)C[N@H+](C)[C@@H](C)C(C)C ZINC000051217356 170110866 /nfs/dbraw/zinc/11/08/66/170110866.db2.gz VBIRCAOKWARGFC-AWEZNQCLSA-N 1 3 242.451 3.379 10 0 BGAEHO CCNCC(CC)(CC)C[N@@H+](C)[C@H](C)C(C)C ZINC000051217357 170110215 /nfs/dbraw/zinc/11/02/15/170110215.db2.gz VBIRCAOKWARGFC-CQSZACIVSA-N 1 3 242.451 3.379 10 0 BGAEHO CCNCC(CC)(CC)C[N@H+](C)[C@H](C)C(C)C ZINC000051217357 170110214 /nfs/dbraw/zinc/11/02/14/170110214.db2.gz VBIRCAOKWARGFC-CQSZACIVSA-N 1 3 242.451 3.379 10 0 BGAEHO CNCC1(C[N@@H+](C)[C@H](C)C(C)C)CCCCC1 ZINC000051217364 173337912 /nfs/dbraw/zinc/33/79/12/173337912.db2.gz YKEAHAHDZGEYNZ-CQSZACIVSA-N 1 3 240.435 3.133 10 0 BGAEHO CNCC1(C[N@H+](C)[C@H](C)C(C)C)CCCCC1 ZINC000051217364 173337910 /nfs/dbraw/zinc/33/79/10/173337910.db2.gz YKEAHAHDZGEYNZ-CQSZACIVSA-N 1 3 240.435 3.133 10 0 BGAEHO CNCC1(C[N@@H+](C)[C@@H](C)C(C)C)CCCCC1 ZINC000051217365 173338034 /nfs/dbraw/zinc/33/80/34/173338034.db2.gz YKEAHAHDZGEYNZ-AWEZNQCLSA-N 1 3 240.435 3.133 10 0 BGAEHO CNCC1(C[N@H+](C)[C@@H](C)C(C)C)CCCCC1 ZINC000051217365 173338033 /nfs/dbraw/zinc/33/80/33/173338033.db2.gz YKEAHAHDZGEYNZ-AWEZNQCLSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[C@@](C)(CNC(C)C)C[N@@H+](C)[C@@H](C)C(C)C ZINC000051217402 171166410 /nfs/dbraw/zinc/16/64/10/171166410.db2.gz JRLKHVWERHXITF-GJZGRUSLSA-N 1 3 242.451 3.377 10 0 BGAEHO CC[C@@](C)(CNC(C)C)C[N@H+](C)[C@@H](C)C(C)C ZINC000051217402 171166407 /nfs/dbraw/zinc/16/64/07/171166407.db2.gz JRLKHVWERHXITF-GJZGRUSLSA-N 1 3 242.451 3.377 10 0 BGAEHO CC[NH2+]CC(CC)(CC)CN(C)[C@@H](C)C1CC1 ZINC000051217552 170110600 /nfs/dbraw/zinc/11/06/00/170110600.db2.gz SJVJSYQKYWHWSU-ZDUSSCGKSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNCC(CC)(CC)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000051217552 170110599 /nfs/dbraw/zinc/11/05/99/170110599.db2.gz SJVJSYQKYWHWSU-ZDUSSCGKSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNCC(CC)(CC)C[N@H+](C)[C@@H](C)C1CC1 ZINC000051217552 170110598 /nfs/dbraw/zinc/11/05/98/170110598.db2.gz SJVJSYQKYWHWSU-ZDUSSCGKSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+]CC(CC)(CC)CN(C)[C@H](C)C1CC1 ZINC000051217553 170110493 /nfs/dbraw/zinc/11/04/93/170110493.db2.gz SJVJSYQKYWHWSU-CYBMUJFWSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNCC(CC)(CC)C[N@@H+](C)[C@H](C)C1CC1 ZINC000051217553 170110492 /nfs/dbraw/zinc/11/04/92/170110492.db2.gz SJVJSYQKYWHWSU-CYBMUJFWSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNCC(CC)(CC)C[N@H+](C)[C@H](C)C1CC1 ZINC000051217553 170110489 /nfs/dbraw/zinc/11/04/89/170110489.db2.gz SJVJSYQKYWHWSU-CYBMUJFWSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+]C[C@](C)(CC)CN1CCC[C@@H](CC)C1 ZINC000051217772 170123799 /nfs/dbraw/zinc/12/37/99/170123799.db2.gz HNAJLVVOMVWLBS-CABCVRRESA-N 1 3 240.435 3.134 10 0 BGAEHO CCNC[C@](C)(CC)C[N@H+]1CCC[C@@H](CC)C1 ZINC000051217772 170123798 /nfs/dbraw/zinc/12/37/98/170123798.db2.gz HNAJLVVOMVWLBS-CABCVRRESA-N 1 3 240.435 3.134 10 0 BGAEHO CCNC[C@](C)(CC)C[N@@H+]1CCC[C@@H](CC)C1 ZINC000051217772 170123796 /nfs/dbraw/zinc/12/37/96/170123796.db2.gz HNAJLVVOMVWLBS-CABCVRRESA-N 1 3 240.435 3.134 10 0 BGAEHO CC[NH2+]C[C@](C)(CC)CN1CCC[C@H](CC)C1 ZINC000051217773 170123381 /nfs/dbraw/zinc/12/33/81/170123381.db2.gz HNAJLVVOMVWLBS-GJZGRUSLSA-N 1 3 240.435 3.134 10 0 BGAEHO CCNC[C@](C)(CC)C[N@H+]1CCC[C@H](CC)C1 ZINC000051217773 170123380 /nfs/dbraw/zinc/12/33/80/170123380.db2.gz HNAJLVVOMVWLBS-GJZGRUSLSA-N 1 3 240.435 3.134 10 0 BGAEHO CCNC[C@](C)(CC)C[N@@H+]1CCC[C@H](CC)C1 ZINC000051217773 170123378 /nfs/dbraw/zinc/12/33/78/170123378.db2.gz HNAJLVVOMVWLBS-GJZGRUSLSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[C@@H](C)N(C)CC1(C[NH2+]CC)CCCC1 ZINC000051218066 169364132 /nfs/dbraw/zinc/36/41/32/169364132.db2.gz KENPIRWIJYYNBV-CQSZACIVSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[C@@H](C)[N@@H+](C)CC1(CNCC)CCCC1 ZINC000051218066 169364130 /nfs/dbraw/zinc/36/41/30/169364130.db2.gz KENPIRWIJYYNBV-CQSZACIVSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[C@@H](C)[N@H+](C)CC1(CNCC)CCCC1 ZINC000051218066 169364128 /nfs/dbraw/zinc/36/41/28/169364128.db2.gz KENPIRWIJYYNBV-CQSZACIVSA-N 1 3 240.435 3.277 10 0 BGAEHO CCNCC(C)(C)C[N@@H+](C)C1CCCCCC1 ZINC000051248677 170110673 /nfs/dbraw/zinc/11/06/73/170110673.db2.gz MAARZVXQYAZCTR-UHFFFAOYSA-N 1 3 240.435 3.277 10 0 BGAEHO CCNCC(C)(C)C[N@H+](C)C1CCCCCC1 ZINC000051248677 170110671 /nfs/dbraw/zinc/11/06/71/170110671.db2.gz MAARZVXQYAZCTR-UHFFFAOYSA-N 1 3 240.435 3.277 10 0 BGAEHO CCNC[C@](C)(CC)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000051249301 170123232 /nfs/dbraw/zinc/12/32/32/170123232.db2.gz HKRSXVXKWPXEIP-KKUMJFAQSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNC[C@](C)(CC)C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000051249301 170123231 /nfs/dbraw/zinc/12/32/31/170123231.db2.gz HKRSXVXKWPXEIP-KKUMJFAQSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+]CC(CC)(CC)CN1CC[C@H](C)C1 ZINC000051249992 169257704 /nfs/dbraw/zinc/25/77/04/169257704.db2.gz RXZAZTKDPUMSKQ-AWEZNQCLSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[NH2+]CC(CC)(CC)CN1CC[C@@H](C)C1 ZINC000051249993 169257631 /nfs/dbraw/zinc/25/76/31/169257631.db2.gz RXZAZTKDPUMSKQ-CQSZACIVSA-N 1 3 240.435 3.134 10 0 BGAEHO CCNCC(C)(C)C[NH+](CC(C)C)CC(C)C ZINC000051250164 170110409 /nfs/dbraw/zinc/11/04/09/170110409.db2.gz SDTBJFABNGRSGL-UHFFFAOYSA-N 1 3 242.451 3.236 10 0 BGAEHO CCC[N@@H+](CC1CC1)C[C@@](C)(CCC)CNC ZINC000051251864 169137493 /nfs/dbraw/zinc/13/74/93/169137493.db2.gz ZNTHFENNBJTTPV-HNNXBMFYSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[N@H+](CC1CC1)C[C@@](C)(CCC)CNC ZINC000051251864 169137491 /nfs/dbraw/zinc/13/74/91/169137491.db2.gz ZNTHFENNBJTTPV-HNNXBMFYSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[N@@H+](CC1CC1)C[C@](C)(CCC)CNC ZINC000051251865 169138009 /nfs/dbraw/zinc/13/80/09/169138009.db2.gz ZNTHFENNBJTTPV-OAHLLOKOSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[N@H+](CC1CC1)C[C@](C)(CCC)CNC ZINC000051251865 169138007 /nfs/dbraw/zinc/13/80/07/169138007.db2.gz ZNTHFENNBJTTPV-OAHLLOKOSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[N@@H+](CC1CC1)CC(C)(C)CNC(C)C ZINC000051251892 169138819 /nfs/dbraw/zinc/13/88/19/169138819.db2.gz BLUQFTVMSHOXJQ-UHFFFAOYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[N@H+](CC1CC1)CC(C)(C)CNC(C)C ZINC000051251892 169138818 /nfs/dbraw/zinc/13/88/18/169138818.db2.gz BLUQFTVMSHOXJQ-UHFFFAOYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[N@@H+](CC1CC1)CC(CC)(CC)CNC ZINC000051251896 169137536 /nfs/dbraw/zinc/13/75/36/169137536.db2.gz DTUQBFFWLORWDT-UHFFFAOYSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[N@H+](CC1CC1)CC(CC)(CC)CNC ZINC000051251896 169137534 /nfs/dbraw/zinc/13/75/34/169137534.db2.gz DTUQBFFWLORWDT-UHFFFAOYSA-N 1 3 240.435 3.134 10 0 BGAEHO CCCNCC(C)(C)C[N@@H+](CC(C)C)C1CC1 ZINC000051252386 169256000 /nfs/dbraw/zinc/25/60/00/169256000.db2.gz ILBMWGHODMTRFK-UHFFFAOYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCCNCC(C)(C)C[N@H+](CC(C)C)C1CC1 ZINC000051252386 169255998 /nfs/dbraw/zinc/25/59/98/169255998.db2.gz ILBMWGHODMTRFK-UHFFFAOYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+]CC(C)(C)CN(CC(C)C)C1CC1 ZINC000051252386 169255996 /nfs/dbraw/zinc/25/59/96/169255996.db2.gz ILBMWGHODMTRFK-UHFFFAOYSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+]C[C@](C)(CC)CN(CC(C)C)C1CC1 ZINC000051252418 170123633 /nfs/dbraw/zinc/12/36/33/170123633.db2.gz IESSFNGMKIUMAQ-HNNXBMFYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNC[C@](C)(CC)C[N@@H+](CC(C)C)C1CC1 ZINC000051252418 170123630 /nfs/dbraw/zinc/12/36/30/170123630.db2.gz IESSFNGMKIUMAQ-HNNXBMFYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNC[C@](C)(CC)C[N@H+](CC(C)C)C1CC1 ZINC000051252418 170123628 /nfs/dbraw/zinc/12/36/28/170123628.db2.gz IESSFNGMKIUMAQ-HNNXBMFYSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+]C[C@@](C)(CC)CN(CC(C)C)C1CC1 ZINC000051252419 170120846 /nfs/dbraw/zinc/12/08/46/170120846.db2.gz IESSFNGMKIUMAQ-OAHLLOKOSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNC[C@@](C)(CC)C[N@@H+](CC(C)C)C1CC1 ZINC000051252419 170120844 /nfs/dbraw/zinc/12/08/44/170120844.db2.gz IESSFNGMKIUMAQ-OAHLLOKOSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNC[C@@](C)(CC)C[N@H+](CC(C)C)C1CC1 ZINC000051252419 170120843 /nfs/dbraw/zinc/12/08/43/170120843.db2.gz IESSFNGMKIUMAQ-OAHLLOKOSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+]CC1(CN(C)CC(C)(C)C)CCCC1 ZINC000051257427 170111217 /nfs/dbraw/zinc/11/12/17/170111217.db2.gz TWQBMULBXJJNIP-UHFFFAOYSA-N 1 3 240.435 3.134 10 0 BGAEHO CC[NH2+]CC(CC)(CC)CN(C)CC(C)(C)C ZINC000051257478 170110344 /nfs/dbraw/zinc/11/03/44/170110344.db2.gz HDFWNZZXFZNIJA-UHFFFAOYSA-N 1 3 242.451 3.380 10 0 BGAEHO CCC(CC)(CNC)C[N@@H+](C)[C@@H](C)CC(C)C ZINC000051258485 168325716 /nfs/dbraw/zinc/32/57/16/168325716.db2.gz BOJWHDPRCZGWEK-AWEZNQCLSA-N 1 3 242.451 3.379 10 0 BGAEHO CCC(CC)(CNC)C[N@H+](C)[C@@H](C)CC(C)C ZINC000051258485 168325715 /nfs/dbraw/zinc/32/57/15/168325715.db2.gz BOJWHDPRCZGWEK-AWEZNQCLSA-N 1 3 242.451 3.379 10 0 BGAEHO CCC(CC)(CNC)C[N@@H+](C)[C@H](C)CC(C)C ZINC000051258487 168325493 /nfs/dbraw/zinc/32/54/93/168325493.db2.gz BOJWHDPRCZGWEK-CQSZACIVSA-N 1 3 242.451 3.379 10 0 BGAEHO CCC(CC)(CNC)C[N@H+](C)[C@H](C)CC(C)C ZINC000051258487 168325491 /nfs/dbraw/zinc/32/54/91/168325491.db2.gz BOJWHDPRCZGWEK-CQSZACIVSA-N 1 3 242.451 3.379 10 0 BGAEHO CCCNCC(C)(C)C[N@@H+](CC(C)C)C(C)C ZINC000051259248 169255173 /nfs/dbraw/zinc/25/51/73/169255173.db2.gz SYJLKHJZOGPOBJ-UHFFFAOYSA-N 1 3 242.451 3.379 10 0 BGAEHO CCCNCC(C)(C)C[N@H+](CC(C)C)C(C)C ZINC000051259248 169255172 /nfs/dbraw/zinc/25/51/72/169255172.db2.gz SYJLKHJZOGPOBJ-UHFFFAOYSA-N 1 3 242.451 3.379 10 0 BGAEHO CC(C)NCC(C)(C)C[N@@H+](CC1CC1)C(C)C ZINC000051259485 167096705 /nfs/dbraw/zinc/09/67/05/167096705.db2.gz CFWHBIMERNBBHH-UHFFFAOYSA-N 1 3 240.435 3.131 10 0 BGAEHO CC(C)NCC(C)(C)C[N@H+](CC1CC1)C(C)C ZINC000051259485 167096700 /nfs/dbraw/zinc/09/67/00/167096700.db2.gz CFWHBIMERNBBHH-UHFFFAOYSA-N 1 3 240.435 3.131 10 0 BGAEHO CCC(CC)(CNC)C[N@@H+](CC1CC1)C(C)C ZINC000051259494 168325565 /nfs/dbraw/zinc/32/55/65/168325565.db2.gz FRXZRHJPAFIVAE-UHFFFAOYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC(CC)(CNC)C[N@H+](CC1CC1)C(C)C ZINC000051259494 168325563 /nfs/dbraw/zinc/32/55/63/168325563.db2.gz FRXZRHJPAFIVAE-UHFFFAOYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNC[C@](C)(CC)C[N@@H+](CC1CC1)C(C)C ZINC000051259551 170123280 /nfs/dbraw/zinc/12/32/80/170123280.db2.gz UYHMLPNLWULISH-HNNXBMFYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNC[C@](C)(CC)C[N@H+](CC1CC1)C(C)C ZINC000051259551 170123278 /nfs/dbraw/zinc/12/32/78/170123278.db2.gz UYHMLPNLWULISH-HNNXBMFYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNC[C@@](C)(CC)C[N@@H+](CC1CC1)C(C)C ZINC000051259553 170120709 /nfs/dbraw/zinc/12/07/09/170120709.db2.gz UYHMLPNLWULISH-OAHLLOKOSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNC[C@@](C)(CC)C[N@H+](CC1CC1)C(C)C ZINC000051259553 170120707 /nfs/dbraw/zinc/12/07/07/170120707.db2.gz UYHMLPNLWULISH-OAHLLOKOSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+]CC(CC)(CC)CN(C)CCC(C)C ZINC000051259699 170110604 /nfs/dbraw/zinc/11/06/04/170110604.db2.gz OVVLDZJHJDNMJG-UHFFFAOYSA-N 1 3 242.451 3.380 10 0 BGAEHO CCC[NH2+]CC(C)(C)CN1CCC(CC)CC1 ZINC000051283725 169255613 /nfs/dbraw/zinc/25/56/13/169255613.db2.gz BIYNLRRGKGNFOC-UHFFFAOYSA-N 1 3 240.435 3.134 10 0 BGAEHO CC[NH2+]CC(C)(C)CN(C)CC1CCCCC1 ZINC000051283834 170110302 /nfs/dbraw/zinc/11/03/02/170110302.db2.gz LVKDOOKLVLZXDV-UHFFFAOYSA-N 1 3 240.435 3.134 10 0 BGAEHO CCNCC(C)(C)C[N@@H+](C)CC1CCCCC1 ZINC000051283834 170110301 /nfs/dbraw/zinc/11/03/01/170110301.db2.gz LVKDOOKLVLZXDV-UHFFFAOYSA-N 1 3 240.435 3.134 10 0 BGAEHO CCNCC(C)(C)C[N@H+](C)CC1CCCCC1 ZINC000051283834 170110299 /nfs/dbraw/zinc/11/02/99/170110299.db2.gz LVKDOOKLVLZXDV-UHFFFAOYSA-N 1 3 240.435 3.134 10 0 BGAEHO CC[C@H](C1CCCCC1)[NH+]1CCCNCCC1 ZINC000052342525 171418451 /nfs/dbraw/zinc/41/84/51/171418451.db2.gz LNVQRCUIIZELOG-OAHLLOKOSA-N 1 3 238.419 3.031 10 0 BGAEHO CCCNC[C@@H](C)C[N@@H+](C)C1CCC(C)CC1 ZINC000052345341 169261253 /nfs/dbraw/zinc/26/12/53/169261253.db2.gz OMBGZVWXVBXHQB-SHARSMKWSA-N 1 3 240.435 3.133 10 0 BGAEHO CCCNC[C@@H](C)C[N@H+](C)C1CCC(C)CC1 ZINC000052345341 169261252 /nfs/dbraw/zinc/26/12/52/169261252.db2.gz OMBGZVWXVBXHQB-SHARSMKWSA-N 1 3 240.435 3.133 10 0 BGAEHO CCCNC[C@H](C)C[N@@H+](C)C1CCC(C)CC1 ZINC000052345342 169264078 /nfs/dbraw/zinc/26/40/78/169264078.db2.gz OMBGZVWXVBXHQB-SLTAFYQDSA-N 1 3 240.435 3.133 10 0 BGAEHO CCCNC[C@H](C)C[N@H+](C)C1CCC(C)CC1 ZINC000052345342 169264077 /nfs/dbraw/zinc/26/40/77/169264077.db2.gz OMBGZVWXVBXHQB-SLTAFYQDSA-N 1 3 240.435 3.133 10 0 BGAEHO CCCNCC[C@@H](C)[N@@H+](C)C1CCC(C)CC1 ZINC000052345487 169260503 /nfs/dbraw/zinc/26/05/03/169260503.db2.gz YBKCDRXEAFVUJD-SHARSMKWSA-N 1 3 240.435 3.275 10 0 BGAEHO CCCNCC[C@@H](C)[N@H+](C)C1CCC(C)CC1 ZINC000052345487 169260501 /nfs/dbraw/zinc/26/05/01/169260501.db2.gz YBKCDRXEAFVUJD-SHARSMKWSA-N 1 3 240.435 3.275 10 0 BGAEHO CCCNCC[C@H](C)[N@@H+](C)C1CCC(C)CC1 ZINC000052345488 169261572 /nfs/dbraw/zinc/26/15/72/169261572.db2.gz YBKCDRXEAFVUJD-SLTAFYQDSA-N 1 3 240.435 3.275 10 0 BGAEHO CCCNCC[C@H](C)[N@H+](C)C1CCC(C)CC1 ZINC000052345488 169261569 /nfs/dbraw/zinc/26/15/69/169261569.db2.gz YBKCDRXEAFVUJD-SLTAFYQDSA-N 1 3 240.435 3.275 10 0 BGAEHO CCNC[C@H](C)C[N@@H+](C)C1CCC(CC)CC1 ZINC000052345544 170121708 /nfs/dbraw/zinc/12/17/08/170121708.db2.gz DZAUZKOIYKBLFP-NFOMZHRRSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNC[C@H](C)C[N@H+](C)C1CCC(CC)CC1 ZINC000052345544 170121707 /nfs/dbraw/zinc/12/17/07/170121707.db2.gz DZAUZKOIYKBLFP-NFOMZHRRSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNC[C@@H](C)C[N@@H+](C)C1CCC(CC)CC1 ZINC000052345545 170118803 /nfs/dbraw/zinc/11/88/03/170118803.db2.gz DZAUZKOIYKBLFP-WLYUNCDWSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNC[C@@H](C)C[N@H+](C)C1CCC(CC)CC1 ZINC000052345545 170118802 /nfs/dbraw/zinc/11/88/02/170118802.db2.gz DZAUZKOIYKBLFP-WLYUNCDWSA-N 1 3 240.435 3.133 10 0 BGAEHO CCNCC[C@H](C)[N@@H+](C)C1CCC(CC)CC1 ZINC000052345644 170117146 /nfs/dbraw/zinc/11/71/46/170117146.db2.gz IELQYGPLDWIHHB-NFOMZHRRSA-N 1 3 240.435 3.275 10 0 BGAEHO CCNCC[C@H](C)[N@H+](C)C1CCC(CC)CC1 ZINC000052345644 170117145 /nfs/dbraw/zinc/11/71/45/170117145.db2.gz IELQYGPLDWIHHB-NFOMZHRRSA-N 1 3 240.435 3.275 10 0 BGAEHO CCNCC[C@@H](C)[N@@H+](C)C1CCC(CC)CC1 ZINC000052345645 170116433 /nfs/dbraw/zinc/11/64/33/170116433.db2.gz IELQYGPLDWIHHB-WLYUNCDWSA-N 1 3 240.435 3.275 10 0 BGAEHO CCNCC[C@@H](C)[N@H+](C)C1CCC(CC)CC1 ZINC000052345645 170116432 /nfs/dbraw/zinc/11/64/32/170116432.db2.gz IELQYGPLDWIHHB-WLYUNCDWSA-N 1 3 240.435 3.275 10 0 BGAEHO CC(C)NC[C@@H](C)C[N@@H+](C)CC1CCCCC1 ZINC000052346711 167111273 /nfs/dbraw/zinc/11/12/73/167111273.db2.gz VDSYPNLIIWWASU-CQSZACIVSA-N 1 3 240.435 3.133 10 0 BGAEHO CC(C)NC[C@@H](C)C[N@H+](C)CC1CCCCC1 ZINC000052346711 167111270 /nfs/dbraw/zinc/11/12/70/167111270.db2.gz VDSYPNLIIWWASU-CQSZACIVSA-N 1 3 240.435 3.133 10 0 BGAEHO CC(C)[NH2+]C[C@@H](C)CN(C)CC1CCCCC1 ZINC000052346711 167111266 /nfs/dbraw/zinc/11/12/66/167111266.db2.gz VDSYPNLIIWWASU-CQSZACIVSA-N 1 3 240.435 3.133 10 0 BGAEHO CC(C)NC[C@H](C)C[N@@H+](C)CC1CCCCC1 ZINC000052346712 167112609 /nfs/dbraw/zinc/11/26/09/167112609.db2.gz VDSYPNLIIWWASU-AWEZNQCLSA-N 1 3 240.435 3.133 10 0 BGAEHO CC(C)NC[C@H](C)C[N@H+](C)CC1CCCCC1 ZINC000052346712 167112607 /nfs/dbraw/zinc/11/26/07/167112607.db2.gz VDSYPNLIIWWASU-AWEZNQCLSA-N 1 3 240.435 3.133 10 0 BGAEHO CC(C)[NH2+]C[C@H](C)CN(C)CC1CCCCC1 ZINC000052346712 167112605 /nfs/dbraw/zinc/11/26/05/167112605.db2.gz VDSYPNLIIWWASU-AWEZNQCLSA-N 1 3 240.435 3.133 10 0 BGAEHO CC(C)C[NH2+]CC[C@H](C)N1CCC[C@@H](C)[C@H]1C ZINC000052373520 167005098 /nfs/dbraw/zinc/00/50/98/167005098.db2.gz BGFGHJKAYGTELM-QLFBSQMISA-N 1 3 240.435 3.131 10 0 BGAEHO CC(C)C[NH2+]CC[C@H](C)N1CCC[C@H](C)[C@H]1C ZINC000052373521 167005589 /nfs/dbraw/zinc/00/55/89/167005589.db2.gz BGFGHJKAYGTELM-SOUVJXGZSA-N 1 3 240.435 3.131 10 0 BGAEHO CCC[NH2+]C[C@H](C)CN1CCC(CCC)CC1 ZINC000052373846 169263685 /nfs/dbraw/zinc/26/36/85/169263685.db2.gz FGHISTDAHLSYII-AWEZNQCLSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[NH2+]C[C@@H](C)CN1CCC(CCC)CC1 ZINC000052373848 169261204 /nfs/dbraw/zinc/26/12/04/169261204.db2.gz FGHISTDAHLSYII-CQSZACIVSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[NH2+]CCCCCN1Cc2ccccc2C1 ZINC000052374474 169257142 /nfs/dbraw/zinc/25/71/42/169257142.db2.gz WWELPEMYTMBWHF-UHFFFAOYSA-N 1 3 246.398 3.172 10 0 BGAEHO CCNC[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1CC ZINC000052375415 170120315 /nfs/dbraw/zinc/12/03/15/170120315.db2.gz WCEHFYSLXZACTO-CVEARBPZSA-N 1 3 246.398 3.212 10 0 BGAEHO CCNC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CC ZINC000052375415 170120313 /nfs/dbraw/zinc/12/03/13/170120313.db2.gz WCEHFYSLXZACTO-CVEARBPZSA-N 1 3 246.398 3.212 10 0 BGAEHO CCNC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CC ZINC000052375416 170120422 /nfs/dbraw/zinc/12/04/22/170120422.db2.gz WCEHFYSLXZACTO-HOTGVXAUSA-N 1 3 246.398 3.212 10 0 BGAEHO CCNC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CC ZINC000052375416 170120421 /nfs/dbraw/zinc/12/04/21/170120421.db2.gz WCEHFYSLXZACTO-HOTGVXAUSA-N 1 3 246.398 3.212 10 0 BGAEHO CCNCc1ccccc1C[NH+]1CCCCCC1 ZINC000052382093 170128100 /nfs/dbraw/zinc/12/81/00/170128100.db2.gz FVAJHZRNGUMQHP-UHFFFAOYSA-N 1 3 246.398 3.172 10 0 BGAEHO CCC[NH+](CCC)Cc1ccc(CNCC)o1 ZINC000052416746 169149739 /nfs/dbraw/zinc/14/97/39/169149739.db2.gz DVMGSHKIEOEXJV-UHFFFAOYSA-N 1 3 238.375 3.011 10 0 BGAEHO CC(C)CNCC[C@@H](C)[N@@H+](C)C1CCCCC1 ZINC000052419443 167005445 /nfs/dbraw/zinc/00/54/45/167005445.db2.gz FXTMDYJVKUNYAF-CQSZACIVSA-N 1 3 240.435 3.275 10 0 BGAEHO CC(C)CNCC[C@@H](C)[N@H+](C)C1CCCCC1 ZINC000052419443 167005444 /nfs/dbraw/zinc/00/54/44/167005444.db2.gz FXTMDYJVKUNYAF-CQSZACIVSA-N 1 3 240.435 3.275 10 0 BGAEHO CC(C)CNCC[C@H](C)[N@@H+](C)C1CCCCC1 ZINC000052419444 167005189 /nfs/dbraw/zinc/00/51/89/167005189.db2.gz FXTMDYJVKUNYAF-AWEZNQCLSA-N 1 3 240.435 3.275 10 0 BGAEHO CC(C)CNCC[C@H](C)[N@H+](C)C1CCCCC1 ZINC000052419444 167005187 /nfs/dbraw/zinc/00/51/87/167005187.db2.gz FXTMDYJVKUNYAF-AWEZNQCLSA-N 1 3 240.435 3.275 10 0 BGAEHO CC(C)N(C)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052419630 187270855 /nfs/dbraw/zinc/27/08/55/187270855.db2.gz ULJOITXJPYXKLC-UHFFFAOYSA-N 1 3 238.375 3.008 10 0 BGAEHO CCCNCC[C@@H](C)[N@@H+](CC)C1CCCCC1 ZINC000052420169 169260194 /nfs/dbraw/zinc/26/01/94/169260194.db2.gz XWOYNIPEBIQQTM-CQSZACIVSA-N 1 3 240.435 3.419 10 0 BGAEHO CCCNCC[C@@H](C)[N@H+](CC)C1CCCCC1 ZINC000052420169 169260191 /nfs/dbraw/zinc/26/01/91/169260191.db2.gz XWOYNIPEBIQQTM-CQSZACIVSA-N 1 3 240.435 3.419 10 0 BGAEHO CCCNCC[C@H](C)[N@@H+](CC)C1CCCCC1 ZINC000052420170 169260972 /nfs/dbraw/zinc/26/09/72/169260972.db2.gz XWOYNIPEBIQQTM-AWEZNQCLSA-N 1 3 240.435 3.419 10 0 BGAEHO CCCNCC[C@H](C)[N@H+](CC)C1CCCCC1 ZINC000052420170 169260971 /nfs/dbraw/zinc/26/09/71/169260971.db2.gz XWOYNIPEBIQQTM-AWEZNQCLSA-N 1 3 240.435 3.419 10 0 BGAEHO CCC[NH2+]Cc1coc(CN(C)[C@@H](C)CC)c1 ZINC000052444206 169270027 /nfs/dbraw/zinc/27/00/27/169270027.db2.gz GFIPYGBKBZBMIK-LBPRGKRZSA-N 1 3 238.375 3.010 10 0 BGAEHO CCC[NH2+]Cc1coc(CN(C)[C@H](C)CC)c1 ZINC000052444207 169269524 /nfs/dbraw/zinc/26/95/24/169269524.db2.gz GFIPYGBKBZBMIK-GFCCVEGCSA-N 1 3 238.375 3.010 10 0 BGAEHO CC(C)CNC[C@@H](C(C)C)[N@@H+](C)C1CCCC1 ZINC000052444657 167004594 /nfs/dbraw/zinc/00/45/94/167004594.db2.gz QTIFIXINABTRAZ-HNNXBMFYSA-N 1 3 240.435 3.131 10 0 BGAEHO CC(C)CNC[C@@H](C(C)C)[N@H+](C)C1CCCC1 ZINC000052444657 167004590 /nfs/dbraw/zinc/00/45/90/167004590.db2.gz QTIFIXINABTRAZ-HNNXBMFYSA-N 1 3 240.435 3.131 10 0 BGAEHO CC(C)CNC[C@H](C(C)C)[N@@H+](C)C1CCCC1 ZINC000052444658 167006751 /nfs/dbraw/zinc/00/67/51/167006751.db2.gz QTIFIXINABTRAZ-OAHLLOKOSA-N 1 3 240.435 3.131 10 0 BGAEHO CC(C)CNC[C@H](C(C)C)[N@H+](C)C1CCCC1 ZINC000052444658 167006748 /nfs/dbraw/zinc/00/67/48/167006748.db2.gz QTIFIXINABTRAZ-OAHLLOKOSA-N 1 3 240.435 3.131 10 0 BGAEHO CCCN(CC)Cc1occc1C[NH2+]C(C)C ZINC000052448238 169131314 /nfs/dbraw/zinc/13/13/14/169131314.db2.gz HROSBOTVDBFAJU-UHFFFAOYSA-N 1 3 238.375 3.010 10 0 BGAEHO CCC[N@@H+](CC)Cc1ccccc1CNC1CC1 ZINC000052448598 169129892 /nfs/dbraw/zinc/12/98/92/169129892.db2.gz CVBWLZLULFLDAO-UHFFFAOYSA-N 1 3 246.398 3.171 10 0 BGAEHO CCC[N@H+](CC)Cc1ccccc1CNC1CC1 ZINC000052448598 169129890 /nfs/dbraw/zinc/12/98/90/169129890.db2.gz CVBWLZLULFLDAO-UHFFFAOYSA-N 1 3 246.398 3.171 10 0 BGAEHO CCC[N@@H+](Cc1ccc(CNCC)o1)C(C)C ZINC000052450288 169175843 /nfs/dbraw/zinc/17/58/43/169175843.db2.gz HEBCSJMERQKHNF-UHFFFAOYSA-N 1 3 238.375 3.010 10 0 BGAEHO CCC[N@H+](Cc1ccc(CNCC)o1)C(C)C ZINC000052450288 169175842 /nfs/dbraw/zinc/17/58/42/169175842.db2.gz HEBCSJMERQKHNF-UHFFFAOYSA-N 1 3 238.375 3.010 10 0 BGAEHO CCNCc1occc1C[N@@H+](CC)[C@H](C)CC ZINC000052451103 170133018 /nfs/dbraw/zinc/13/30/18/170133018.db2.gz NIZTUJZNKLPZJE-GFCCVEGCSA-N 1 3 238.375 3.010 10 0 BGAEHO CCNCc1occc1C[N@H+](CC)[C@H](C)CC ZINC000052451103 170133017 /nfs/dbraw/zinc/13/30/17/170133017.db2.gz NIZTUJZNKLPZJE-GFCCVEGCSA-N 1 3 238.375 3.010 10 0 BGAEHO CCNCc1occc1C[N@@H+](CC)[C@@H](C)CC ZINC000052451105 170132648 /nfs/dbraw/zinc/13/26/48/170132648.db2.gz NIZTUJZNKLPZJE-LBPRGKRZSA-N 1 3 238.375 3.010 10 0 BGAEHO CCNCc1occc1C[N@H+](CC)[C@@H](C)CC ZINC000052451105 170132645 /nfs/dbraw/zinc/13/26/45/170132645.db2.gz NIZTUJZNKLPZJE-LBPRGKRZSA-N 1 3 238.375 3.010 10 0 BGAEHO CCNCc1coc(C[N@@H+](CC)[C@H](C)CC)c1 ZINC000052451324 170130576 /nfs/dbraw/zinc/13/05/76/170130576.db2.gz LXVYGDPTUVOPQJ-GFCCVEGCSA-N 1 3 238.375 3.010 10 0 BGAEHO CCNCc1coc(C[N@H+](CC)[C@H](C)CC)c1 ZINC000052451324 170130574 /nfs/dbraw/zinc/13/05/74/170130574.db2.gz LXVYGDPTUVOPQJ-GFCCVEGCSA-N 1 3 238.375 3.010 10 0 BGAEHO CCNCc1coc(C[N@@H+](CC)[C@@H](C)CC)c1 ZINC000052451328 170130650 /nfs/dbraw/zinc/13/06/50/170130650.db2.gz LXVYGDPTUVOPQJ-LBPRGKRZSA-N 1 3 238.375 3.010 10 0 BGAEHO CCNCc1coc(C[N@H+](CC)[C@@H](C)CC)c1 ZINC000052451328 170130649 /nfs/dbraw/zinc/13/06/49/170130649.db2.gz LXVYGDPTUVOPQJ-LBPRGKRZSA-N 1 3 238.375 3.010 10 0 BGAEHO CCNCc1ccoc1C[N@@H+](C)C(CC)CC ZINC000052478030 170129697 /nfs/dbraw/zinc/12/96/97/170129697.db2.gz CYSCESLDFPYCAB-UHFFFAOYSA-N 1 3 238.375 3.010 10 0 BGAEHO CCNCc1ccoc1C[N@H+](C)C(CC)CC ZINC000052478030 170129696 /nfs/dbraw/zinc/12/96/96/170129696.db2.gz CYSCESLDFPYCAB-UHFFFAOYSA-N 1 3 238.375 3.010 10 0 BGAEHO CCC[C@@H](C)[N@@H+](C)Cc1ccoc1CNCC ZINC000052480602 169365830 /nfs/dbraw/zinc/36/58/30/169365830.db2.gz AIRYLGURROHNAO-GFCCVEGCSA-N 1 3 238.375 3.010 10 0 BGAEHO CCC[C@@H](C)[N@H+](C)Cc1ccoc1CNCC ZINC000052480602 169365829 /nfs/dbraw/zinc/36/58/29/169365829.db2.gz AIRYLGURROHNAO-GFCCVEGCSA-N 1 3 238.375 3.010 10 0 BGAEHO CCCNC[C@@H](C)C[N@@H+](C)C1CCCCCC1 ZINC000052482005 169261776 /nfs/dbraw/zinc/26/17/76/169261776.db2.gz JZRPWFKBOUGDKX-CQSZACIVSA-N 1 3 240.435 3.277 10 0 BGAEHO CCCNC[C@@H](C)C[N@H+](C)C1CCCCCC1 ZINC000052482005 169261774 /nfs/dbraw/zinc/26/17/74/169261774.db2.gz JZRPWFKBOUGDKX-CQSZACIVSA-N 1 3 240.435 3.277 10 0 BGAEHO CCCNC[C@H](C)C[N@@H+](C)C1CCCCCC1 ZINC000052482006 169263934 /nfs/dbraw/zinc/26/39/34/169263934.db2.gz JZRPWFKBOUGDKX-AWEZNQCLSA-N 1 3 240.435 3.277 10 0 BGAEHO CCCNC[C@H](C)C[N@H+](C)C1CCCCCC1 ZINC000052482006 169263930 /nfs/dbraw/zinc/26/39/30/169263930.db2.gz JZRPWFKBOUGDKX-AWEZNQCLSA-N 1 3 240.435 3.277 10 0 BGAEHO CCCNC[C@@H](C)C[NH+](CC(C)C)CC(C)C ZINC000052484870 169261228 /nfs/dbraw/zinc/26/12/28/169261228.db2.gz ZKGMVSPYYGFUBO-OAHLLOKOSA-N 1 3 242.451 3.236 10 0 BGAEHO CCCNC[C@H](C)C[NH+](CC(C)C)CC(C)C ZINC000052484871 169263916 /nfs/dbraw/zinc/26/39/16/169263916.db2.gz ZKGMVSPYYGFUBO-HNNXBMFYSA-N 1 3 242.451 3.236 10 0 BGAEHO CCCNCC[C@@H](C)[NH+](CC(C)C)CC(C)C ZINC000052485091 169260253 /nfs/dbraw/zinc/26/02/53/169260253.db2.gz ZIKDTCVBLXNUPH-OAHLLOKOSA-N 1 3 242.451 3.379 10 0 BGAEHO CCCNCC[C@H](C)[NH+](CC(C)C)CC(C)C ZINC000052485093 169261474 /nfs/dbraw/zinc/26/14/74/169261474.db2.gz ZIKDTCVBLXNUPH-HNNXBMFYSA-N 1 3 242.451 3.379 10 0 BGAEHO CC(C)NC[C@H](C)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000052513427 167113575 /nfs/dbraw/zinc/11/35/75/167113575.db2.gz QSZAOTDQQUQNFG-ILXRZTDVSA-N 1 3 240.435 3.131 10 0 BGAEHO CC(C)NC[C@H](C)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000052513427 167113572 /nfs/dbraw/zinc/11/35/72/167113572.db2.gz QSZAOTDQQUQNFG-ILXRZTDVSA-N 1 3 240.435 3.131 10 0 BGAEHO CC(C)NC[C@H](C)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052513431 167113199 /nfs/dbraw/zinc/11/31/99/167113199.db2.gz QSZAOTDQQUQNFG-QLFBSQMISA-N 1 3 240.435 3.131 10 0 BGAEHO CC(C)NC[C@H](C)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052513431 167113198 /nfs/dbraw/zinc/11/31/98/167113198.db2.gz QSZAOTDQQUQNFG-QLFBSQMISA-N 1 3 240.435 3.131 10 0 BGAEHO CCC[N@@H+](CC1CC1)[C@@H](C)CCNCC(C)C ZINC000052514768 169138515 /nfs/dbraw/zinc/13/85/15/169138515.db2.gz WKNOXPZASLJWLE-AWEZNQCLSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[N@H+](CC1CC1)[C@@H](C)CCNCC(C)C ZINC000052514768 169138514 /nfs/dbraw/zinc/13/85/14/169138514.db2.gz WKNOXPZASLJWLE-AWEZNQCLSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[N@@H+](CC1CC1)[C@H](C)CCNCC(C)C ZINC000052514770 169138685 /nfs/dbraw/zinc/13/86/85/169138685.db2.gz WKNOXPZASLJWLE-CQSZACIVSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[N@H+](CC1CC1)[C@H](C)CCNCC(C)C ZINC000052514770 169138684 /nfs/dbraw/zinc/13/86/84/169138684.db2.gz WKNOXPZASLJWLE-CQSZACIVSA-N 1 3 240.435 3.133 10 0 BGAEHO CCCNC[C@@H](C)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517399 169261150 /nfs/dbraw/zinc/26/11/50/169261150.db2.gz CQAFBFMEMMGFSZ-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CCCNC[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517399 169261147 /nfs/dbraw/zinc/26/11/47/169261147.db2.gz CQAFBFMEMMGFSZ-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CCCNC[C@H](C)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517401 169263206 /nfs/dbraw/zinc/26/32/06/169263206.db2.gz CQAFBFMEMMGFSZ-DZGCQCFKSA-N 1 3 238.419 3.029 10 0 BGAEHO CCCNC[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517401 169263203 /nfs/dbraw/zinc/26/32/03/169263203.db2.gz CQAFBFMEMMGFSZ-DZGCQCFKSA-N 1 3 238.419 3.029 10 0 BGAEHO C[C@@H](CCNC1CC1)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546972 177087136 /nfs/dbraw/zinc/08/71/36/177087136.db2.gz FMTMTECHOLVIGN-KCQAQPDRSA-N 1 3 238.419 3.028 10 0 BGAEHO C[C@@H](CCNC1CC1)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546972 177087135 /nfs/dbraw/zinc/08/71/35/177087135.db2.gz FMTMTECHOLVIGN-KCQAQPDRSA-N 1 3 238.419 3.028 10 0 BGAEHO CCC[NH2+]C[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000053012246 169262103 /nfs/dbraw/zinc/26/21/03/169262103.db2.gz YAEQWCHTKMMQRD-GJZGRUSLSA-N 1 3 246.398 3.069 10 0 BGAEHO CCC[NH2+]C[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000053012248 169264623 /nfs/dbraw/zinc/26/46/23/169264623.db2.gz YAEQWCHTKMMQRD-LSDHHAIUSA-N 1 3 246.398 3.069 10 0 BGAEHO CCC(CC)NCC[NH+](CC(C)C)CC(C)C ZINC000053389753 168387291 /nfs/dbraw/zinc/38/72/91/168387291.db2.gz YTHQZFOYGPSXRV-UHFFFAOYSA-N 1 3 242.451 3.379 10 0 BGAEHO CC[C@@H]1CCCCN1CCC[NH2+]C1CCCC1 ZINC000053499002 187272297 /nfs/dbraw/zinc/27/22/97/187272297.db2.gz YLROQDASRJLDCF-OAHLLOKOSA-N 1 3 238.419 3.173 10 0 BGAEHO CCC[NH2+]C[C@@H]1CCCN(CCC(C)(C)C)C1 ZINC000053654803 169262696 /nfs/dbraw/zinc/26/26/96/169262696.db2.gz JHDBYYBKSGTPEV-AWEZNQCLSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[NH2+]C[C@H]1CCCN(CCC(C)(C)C)C1 ZINC000053654806 169264397 /nfs/dbraw/zinc/26/43/97/169264397.db2.gz JHDBYYBKSGTPEV-CQSZACIVSA-N 1 3 240.435 3.134 10 0 BGAEHO CCCCCN1CCC[C@H](C[NH2+]CC(C)C)C1 ZINC000053657639 168697576 /nfs/dbraw/zinc/69/75/76/168697576.db2.gz HRWSNELDAQRMGX-OAHLLOKOSA-N 1 3 240.435 3.134 10 0 BGAEHO CCN[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)C(C)C ZINC000053858214 170150372 /nfs/dbraw/zinc/15/03/72/170150372.db2.gz POWPYXYOQCLFGA-RRFJBIMHSA-N 1 3 240.435 3.131 10 0 BGAEHO CCN[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@@H](C)C(C)C ZINC000053858214 170150370 /nfs/dbraw/zinc/15/03/70/170150370.db2.gz POWPYXYOQCLFGA-RRFJBIMHSA-N 1 3 240.435 3.131 10 0 BGAEHO CCN[C@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)C(C)C ZINC000053858215 170165591 /nfs/dbraw/zinc/16/55/91/170165591.db2.gz POWPYXYOQCLFGA-ZNMIVQPWSA-N 1 3 240.435 3.131 10 0 BGAEHO CCN[C@H]1CCCC[C@@H]1C[N@H+](C)[C@@H](C)C(C)C ZINC000053858215 170165590 /nfs/dbraw/zinc/16/55/90/170165590.db2.gz POWPYXYOQCLFGA-ZNMIVQPWSA-N 1 3 240.435 3.131 10 0 BGAEHO CCN[C@@H]1CCCC[C@H]1C[N@@H+](C)[C@@H](C)C(C)C ZINC000053858216 170150426 /nfs/dbraw/zinc/15/04/26/170150426.db2.gz POWPYXYOQCLFGA-SOUVJXGZSA-N 1 3 240.435 3.131 10 0 BGAEHO CCN[C@@H]1CCCC[C@H]1C[N@H+](C)[C@@H](C)C(C)C ZINC000053858216 170150425 /nfs/dbraw/zinc/15/04/25/170150425.db2.gz POWPYXYOQCLFGA-SOUVJXGZSA-N 1 3 240.435 3.131 10 0 BGAEHO CCN[C@H]1CCCC[C@H]1C[N@@H+](C)[C@@H](C)C(C)C ZINC000053858217 170165785 /nfs/dbraw/zinc/16/57/85/170165785.db2.gz POWPYXYOQCLFGA-KKUMJFAQSA-N 1 3 240.435 3.131 10 0 BGAEHO CCN[C@H]1CCCC[C@H]1C[N@H+](C)[C@@H](C)C(C)C ZINC000053858217 170165783 /nfs/dbraw/zinc/16/57/83/170165783.db2.gz POWPYXYOQCLFGA-KKUMJFAQSA-N 1 3 240.435 3.131 10 0 BGAEHO CC[NH2+][C@@H]1CCCC[C@@H]1CN(C)CC(C)(C)C ZINC000053859432 170150600 /nfs/dbraw/zinc/15/06/00/170150600.db2.gz JNZARSAFGUGKNI-ZIAGYGMSSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+][C@H]1CCCC[C@@H]1CN(C)CC(C)(C)C ZINC000053859433 170165914 /nfs/dbraw/zinc/16/59/14/170165914.db2.gz JNZARSAFGUGKNI-KGLIPLIRSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+][C@@H]1CCCC[C@H]1CN(C)CC(C)(C)C ZINC000053859434 170150152 /nfs/dbraw/zinc/15/01/52/170150152.db2.gz JNZARSAFGUGKNI-UONOGXRCSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+][C@H]1CCCC[C@H]1CN(C)CC(C)(C)C ZINC000053859435 170165620 /nfs/dbraw/zinc/16/56/20/170165620.db2.gz JNZARSAFGUGKNI-KBPBESRZSA-N 1 3 240.435 3.133 10 0 BGAEHO CC1CCC([N@@H+](C)C[C@@H]2CCCC[C@@H]2N)CC1 ZINC000053859550 168157663 /nfs/dbraw/zinc/15/76/63/168157663.db2.gz QDFHEKCQLFGUKQ-SHWKFHJASA-N 1 3 238.419 3.014 10 0 BGAEHO CC1CCC([N@H+](C)C[C@@H]2CCCC[C@@H]2N)CC1 ZINC000053859550 168157660 /nfs/dbraw/zinc/15/76/60/168157660.db2.gz QDFHEKCQLFGUKQ-SHWKFHJASA-N 1 3 238.419 3.014 10 0 BGAEHO CC1CCC([N@@H+](C)C[C@H]2CCCC[C@@H]2N)CC1 ZINC000053859551 168159805 /nfs/dbraw/zinc/15/98/05/168159805.db2.gz QDFHEKCQLFGUKQ-JYVUQVBGSA-N 1 3 238.419 3.014 10 0 BGAEHO CC1CCC([N@H+](C)C[C@H]2CCCC[C@@H]2N)CC1 ZINC000053859551 168159804 /nfs/dbraw/zinc/15/98/04/168159804.db2.gz QDFHEKCQLFGUKQ-JYVUQVBGSA-N 1 3 238.419 3.014 10 0 BGAEHO CC[NH2+][C@@H]1CCCC[C@@H]1CN(C)CCC(C)C ZINC000053859592 170150251 /nfs/dbraw/zinc/15/02/51/170150251.db2.gz BLJOGDNEXQOHOC-HUUCEWRRSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+][C@H]1CCCC[C@@H]1CN(C)CCC(C)C ZINC000053859593 170165644 /nfs/dbraw/zinc/16/56/44/170165644.db2.gz BLJOGDNEXQOHOC-CABCVRRESA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+][C@@H]1CCCC[C@H]1CN(C)CCC(C)C ZINC000053859594 170150379 /nfs/dbraw/zinc/15/03/79/170150379.db2.gz BLJOGDNEXQOHOC-LSDHHAIUSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+][C@H]1CCCC[C@H]1CN(C)CCC(C)C ZINC000053859595 170166223 /nfs/dbraw/zinc/16/62/23/170166223.db2.gz BLJOGDNEXQOHOC-GJZGRUSLSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+][C@@H]1CCCCC[C@@H]1CN1CCCC1 ZINC000053861133 169281860 /nfs/dbraw/zinc/28/18/60/169281860.db2.gz BKJYDEUYIWSWHO-HUUCEWRRSA-N 1 3 238.419 3.031 10 0 BGAEHO CCC[NH2+][C@H]1CCCCC[C@@H]1CN1CCCC1 ZINC000053861134 169290515 /nfs/dbraw/zinc/29/05/15/169290515.db2.gz BKJYDEUYIWSWHO-CABCVRRESA-N 1 3 238.419 3.031 10 0 BGAEHO CCC[NH2+][C@@H]1CCCCC[C@H]1CN1CCCC1 ZINC000053861135 169281881 /nfs/dbraw/zinc/28/18/81/169281881.db2.gz BKJYDEUYIWSWHO-LSDHHAIUSA-N 1 3 238.419 3.031 10 0 BGAEHO CCC[NH2+][C@H]1CCCCC[C@H]1CN1CCCC1 ZINC000053861136 169290770 /nfs/dbraw/zinc/29/07/70/169290770.db2.gz BKJYDEUYIWSWHO-GJZGRUSLSA-N 1 3 238.419 3.031 10 0 BGAEHO CCC[NH2+][C@@H]1CCCCC[C@@H]1CN(CC)CC ZINC000053861431 169282002 /nfs/dbraw/zinc/28/20/02/169282002.db2.gz RBKFTIUTHLONSC-HUUCEWRRSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+][C@H]1CCCCC[C@@H]1CN(CC)CC ZINC000053861432 169290786 /nfs/dbraw/zinc/29/07/86/169290786.db2.gz RBKFTIUTHLONSC-CABCVRRESA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+][C@@H]1CCCCC[C@H]1CN(CC)CC ZINC000053861433 169282301 /nfs/dbraw/zinc/28/23/01/169282301.db2.gz RBKFTIUTHLONSC-LSDHHAIUSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+][C@H]1CCCCC[C@H]1CN(CC)CC ZINC000053861435 169291159 /nfs/dbraw/zinc/29/11/59/169291159.db2.gz RBKFTIUTHLONSC-GJZGRUSLSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH+](CCC)C[C@@H]1CCCCC[C@@H]1N ZINC000053862603 169149004 /nfs/dbraw/zinc/14/90/04/169149004.db2.gz YBJVYDKRVIFPHT-KBPBESRZSA-N 1 3 226.408 3.016 10 0 BGAEHO CCC[NH+](CCC)C[C@H]1CCCCC[C@@H]1N ZINC000053862604 169149505 /nfs/dbraw/zinc/14/95/05/169149505.db2.gz YBJVYDKRVIFPHT-KGLIPLIRSA-N 1 3 226.408 3.016 10 0 BGAEHO CCC[NH+](CCC)C[C@@H]1CCCCC[C@H]1N ZINC000053862606 169148454 /nfs/dbraw/zinc/14/84/54/169148454.db2.gz YBJVYDKRVIFPHT-UONOGXRCSA-N 1 3 226.408 3.016 10 0 BGAEHO CCC[NH+](CCC)C[C@H]1CCCCC[C@H]1N ZINC000053862608 169149126 /nfs/dbraw/zinc/14/91/26/169149126.db2.gz YBJVYDKRVIFPHT-ZIAGYGMSSA-N 1 3 226.408 3.016 10 0 BGAEHO CC(C)N(Cc1ccccc1)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000053862863 188170707 /nfs/dbraw/zinc/17/07/07/188170707.db2.gz SXBKNMOZDIBBLH-HOTGVXAUSA-N 1 3 246.398 3.024 10 0 BGAEHO CC(C)N(Cc1ccccc1)C[C@H]1CCC[C@@H]1[NH3+] ZINC000053862865 187311360 /nfs/dbraw/zinc/31/13/60/187311360.db2.gz SXBKNMOZDIBBLH-CVEARBPZSA-N 1 3 246.398 3.024 10 0 BGAEHO C[C@@H]1CC[C@H](N)[C@H](C[N@@H+](C)C2CCCCC2)C1 ZINC000053863502 176229133 /nfs/dbraw/zinc/22/91/33/176229133.db2.gz BENWFNHEGZUTIA-IPYPFGDCSA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@@H]1CC[C@H](N)[C@H](C[N@H+](C)C2CCCCC2)C1 ZINC000053863502 176229131 /nfs/dbraw/zinc/22/91/31/176229131.db2.gz BENWFNHEGZUTIA-IPYPFGDCSA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@@H]1CC[C@@H](N)[C@H](C[N@@H+](C)C2CCCCC2)C1 ZINC000053863507 176208439 /nfs/dbraw/zinc/20/84/39/176208439.db2.gz BENWFNHEGZUTIA-VNHYZAJKSA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@@H]1CC[C@@H](N)[C@H](C[N@H+](C)C2CCCCC2)C1 ZINC000053863507 176208437 /nfs/dbraw/zinc/20/84/37/176208437.db2.gz BENWFNHEGZUTIA-VNHYZAJKSA-N 1 3 238.419 3.014 10 0 BGAEHO C[C@@H]1CC[C@H](N)[C@H](C[NH+]2CCCCCCC2)C1 ZINC000053864102 176229487 /nfs/dbraw/zinc/22/94/87/176229487.db2.gz GBDYEZPDRVCUQU-ILXRZTDVSA-N 1 3 238.419 3.016 10 0 BGAEHO C[C@@H]1CC[C@@H](N)[C@H](C[NH+]2CCCCCCC2)C1 ZINC000053864107 176208952 /nfs/dbraw/zinc/20/89/52/176208952.db2.gz GBDYEZPDRVCUQU-QLFBSQMISA-N 1 3 238.419 3.016 10 0 BGAEHO CC[C@H](C)N(C)C[C@@H]1C[C@H](CC)CC[C@@H]1[NH2+]C ZINC000053864934 171308344 /nfs/dbraw/zinc/30/83/44/171308344.db2.gz KSUPPTRANNNMDP-XGUBFFRZSA-N 1 3 240.435 3.131 10 0 BGAEHO CCCN(CC)C[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC ZINC000053865024 169124539 /nfs/dbraw/zinc/12/45/39/169124539.db2.gz LDGSSWJZIVDSCC-ILXRZTDVSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[C@@H]1CC[C@H](N)[C@H](C[N@@H+](CC)CC(C)C)C1 ZINC000053865122 171056678 /nfs/dbraw/zinc/05/66/78/171056678.db2.gz ZRBAFTVAKKZPHM-ILXRZTDVSA-N 1 3 240.435 3.118 10 0 BGAEHO CC[C@@H]1CC[C@H](N)[C@H](C[N@H+](CC)CC(C)C)C1 ZINC000053865122 171056674 /nfs/dbraw/zinc/05/66/74/171056674.db2.gz ZRBAFTVAKKZPHM-ILXRZTDVSA-N 1 3 240.435 3.118 10 0 BGAEHO CC[C@@H]1CC[C@@H](N)[C@H](C[N@@H+](CC)CC(C)C)C1 ZINC000053865126 171040698 /nfs/dbraw/zinc/04/06/98/171040698.db2.gz ZRBAFTVAKKZPHM-QLFBSQMISA-N 1 3 240.435 3.118 10 0 BGAEHO CC[C@@H]1CC[C@@H](N)[C@H](C[N@H+](CC)CC(C)C)C1 ZINC000053865126 171040697 /nfs/dbraw/zinc/04/06/97/171040697.db2.gz ZRBAFTVAKKZPHM-QLFBSQMISA-N 1 3 240.435 3.118 10 0 BGAEHO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1CN(C)CC ZINC000053865211 169282747 /nfs/dbraw/zinc/28/27/47/169282747.db2.gz UFMOWDWKKMDRPG-RRFJBIMHSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1CN(C)CC ZINC000053865212 169292915 /nfs/dbraw/zinc/29/29/15/169292915.db2.gz UFMOWDWKKMDRPG-ZNMIVQPWSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1CN(C)CC ZINC000053865213 169282651 /nfs/dbraw/zinc/28/26/51/169282651.db2.gz UFMOWDWKKMDRPG-RBSFLKMASA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1CN(C)CC ZINC000053865214 169292280 /nfs/dbraw/zinc/29/22/80/169292280.db2.gz UFMOWDWKKMDRPG-KFWWJZLASA-N 1 3 240.435 3.133 10 0 BGAEHO CCCN(C)C[C@@H]1C[C@H](CC)CC[C@@H]1[NH2+]CC ZINC000053865632 169079668 /nfs/dbraw/zinc/07/96/68/169079668.db2.gz PORKPEDELDPAPQ-ILXRZTDVSA-N 1 3 240.435 3.133 10 0 BGAEHO CCCN(C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000053865658 169078492 /nfs/dbraw/zinc/07/84/92/169078492.db2.gz VSISGYZVMBVKQV-MJBXVCDLSA-N 1 3 240.435 3.118 10 0 BGAEHO CCC[N@@H+](C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N ZINC000053865658 169078490 /nfs/dbraw/zinc/07/84/90/169078490.db2.gz VSISGYZVMBVKQV-MJBXVCDLSA-N 1 3 240.435 3.118 10 0 BGAEHO CCC[N@H+](C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N ZINC000053865658 169078487 /nfs/dbraw/zinc/07/84/87/169078487.db2.gz VSISGYZVMBVKQV-MJBXVCDLSA-N 1 3 240.435 3.118 10 0 BGAEHO CC[C@H](C)[N@@H+](CC)C[C@@H]1C[C@H](CC)CC[C@@H]1N ZINC000053865843 171311872 /nfs/dbraw/zinc/31/18/72/171311872.db2.gz CKGCQHLSOSSRIV-XGUBFFRZSA-N 1 3 240.435 3.260 10 0 BGAEHO CC[C@H](C)[N@H+](CC)C[C@@H]1C[C@H](CC)CC[C@@H]1N ZINC000053865843 171311870 /nfs/dbraw/zinc/31/18/70/171311870.db2.gz CKGCQHLSOSSRIV-XGUBFFRZSA-N 1 3 240.435 3.260 10 0 BGAEHO CCC[N@@H+](C[C@@H]1C[C@H](CC)CC[C@@H]1N)C(C)C ZINC000053865877 188300171 /nfs/dbraw/zinc/30/01/71/188300171.db2.gz DTNUWCUKBIHQIB-ILXRZTDVSA-N 1 3 240.435 3.260 10 0 BGAEHO CCC[N@H+](C[C@@H]1C[C@H](CC)CC[C@@H]1N)C(C)C ZINC000053865877 188300169 /nfs/dbraw/zinc/30/01/69/188300169.db2.gz DTNUWCUKBIHQIB-ILXRZTDVSA-N 1 3 240.435 3.260 10 0 BGAEHO CCC(CC)[N@@H+](C)C[C@@H]1C[C@H](C)CC[C@@H]1NC ZINC000053866879 168369397 /nfs/dbraw/zinc/36/93/97/168369397.db2.gz QHZRNHWZLGXNDJ-IPYPFGDCSA-N 1 3 240.435 3.131 10 0 BGAEHO CCC(CC)[N@H+](C)C[C@@H]1C[C@H](C)CC[C@@H]1NC ZINC000053866879 168369396 /nfs/dbraw/zinc/36/93/96/168369396.db2.gz QHZRNHWZLGXNDJ-IPYPFGDCSA-N 1 3 240.435 3.131 10 0 BGAEHO C[C@H]([N@@H+](C)C[C@@H]1C[C@@H](C)CC[C@@H]1N)C(C)(C)C ZINC000053871397 177203502 /nfs/dbraw/zinc/20/35/02/177203502.db2.gz VYKHNCXUMRPHOD-XUXIUFHCSA-N 1 3 240.435 3.116 10 0 BGAEHO C[C@H]([N@H+](C)C[C@@H]1C[C@@H](C)CC[C@@H]1N)C(C)(C)C ZINC000053871397 177203501 /nfs/dbraw/zinc/20/35/01/177203501.db2.gz VYKHNCXUMRPHOD-XUXIUFHCSA-N 1 3 240.435 3.116 10 0 BGAEHO CCC[N@@H+](CC1CC1)C[C@@H]1CCCCC[C@@H]1N ZINC000053872756 169138640 /nfs/dbraw/zinc/13/86/40/169138640.db2.gz IXQSYVXRUDCNLF-GJZGRUSLSA-N 1 3 238.419 3.016 10 0 BGAEHO CCC[N@H+](CC1CC1)C[C@@H]1CCCCC[C@@H]1N ZINC000053872756 169138639 /nfs/dbraw/zinc/13/86/39/169138639.db2.gz IXQSYVXRUDCNLF-GJZGRUSLSA-N 1 3 238.419 3.016 10 0 BGAEHO CCC[NH2+][C@@H]1CCC[C@@H]1CN(C)CC(C)(C)C ZINC000053877735 169282269 /nfs/dbraw/zinc/28/22/69/169282269.db2.gz CFKOKRZBYDWBOX-ZIAGYGMSSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+][C@H]1CCC[C@@H]1CN(C)CC(C)(C)C ZINC000053877737 169290391 /nfs/dbraw/zinc/29/03/91/169290391.db2.gz CFKOKRZBYDWBOX-KGLIPLIRSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+][C@@H]1CCC[C@H]1CN(C)CC(C)(C)C ZINC000053877739 169282019 /nfs/dbraw/zinc/28/20/19/169282019.db2.gz CFKOKRZBYDWBOX-UONOGXRCSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+][C@H]1CCC[C@H]1CN(C)CC(C)(C)C ZINC000053877741 169292025 /nfs/dbraw/zinc/29/20/25/169292025.db2.gz CFKOKRZBYDWBOX-KBPBESRZSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+][C@@H](CCN1CCC[C@@H]1C)c1ccccc1 ZINC000053932040 170145207 /nfs/dbraw/zinc/14/52/07/170145207.db2.gz RQNRFHJMICJJQZ-HOCLYGCPSA-N 1 3 246.398 3.212 10 0 BGAEHO CC[NH2+][C@H](CCN1CCC[C@@H]1C)c1ccccc1 ZINC000053932042 170161967 /nfs/dbraw/zinc/16/19/67/170161967.db2.gz RQNRFHJMICJJQZ-GOEBONIOSA-N 1 3 246.398 3.212 10 0 BGAEHO CCC[NH2+][C@@H](CCN(CC)CC)c1ccccc1 ZINC000053932193 169278043 /nfs/dbraw/zinc/27/80/43/169278043.db2.gz DKGMMGZBUGNZTI-INIZCTEOSA-N 1 3 248.414 3.459 10 0 BGAEHO CCC[NH2+][C@H](CCN(CC)CC)c1ccccc1 ZINC000053932195 169288760 /nfs/dbraw/zinc/28/87/60/169288760.db2.gz DKGMMGZBUGNZTI-MRXNPFEDSA-N 1 3 248.414 3.459 10 0 BGAEHO CCCN(CC[C@H]([NH2+]C)c1ccccc1)C1CC1 ZINC000053932999 169171042 /nfs/dbraw/zinc/17/10/42/169171042.db2.gz ZUQZDYRRAYQGSE-INIZCTEOSA-N 1 3 246.398 3.212 10 0 BGAEHO CCCN(CC[C@@H]([NH2+]C)c1ccccc1)C1CC1 ZINC000053933002 169170741 /nfs/dbraw/zinc/17/07/41/169170741.db2.gz ZUQZDYRRAYQGSE-MRXNPFEDSA-N 1 3 246.398 3.212 10 0 BGAEHO Cc1ccccc1[C@H]([NH3+])CCN1CCC(C)CC1 ZINC000054015429 179344092 /nfs/dbraw/zinc/34/40/92/179344092.db2.gz HRHGUGAJAKDKMK-MRXNPFEDSA-N 1 3 246.398 3.117 10 0 BGAEHO Cc1ccccc1[C@@H]([NH3+])CCN1CCC(C)CC1 ZINC000054015431 179324436 /nfs/dbraw/zinc/32/44/36/179324436.db2.gz HRHGUGAJAKDKMK-INIZCTEOSA-N 1 3 246.398 3.117 10 0 BGAEHO CC[NH2+][C@@H](CCN(CC)CC)c1cccc(C)c1 ZINC000054015592 170145220 /nfs/dbraw/zinc/14/52/20/170145220.db2.gz JOZWPISGKKLJRG-INIZCTEOSA-N 1 3 248.414 3.378 10 0 BGAEHO CC[NH2+][C@H](CCN(CC)CC)c1cccc(C)c1 ZINC000054015594 170161527 /nfs/dbraw/zinc/16/15/27/170161527.db2.gz JOZWPISGKKLJRG-MRXNPFEDSA-N 1 3 248.414 3.378 10 0 BGAEHO Cc1ccccc1[C@H]([NH3+])CCN1CCCC[C@@H]1C ZINC000054015650 179343143 /nfs/dbraw/zinc/34/31/43/179343143.db2.gz VVOISETUXSWICM-GOEBONIOSA-N 1 3 246.398 3.259 10 0 BGAEHO Cc1ccccc1[C@@H]([NH3+])CCN1CCCC[C@@H]1C ZINC000054015652 179325536 /nfs/dbraw/zinc/32/55/36/179325536.db2.gz VVOISETUXSWICM-HOCLYGCPSA-N 1 3 246.398 3.259 10 0 BGAEHO Cc1ccccc1[C@H]([NH3+])CCN1CCC[C@H](C)C1 ZINC000054015865 179343078 /nfs/dbraw/zinc/34/30/78/179343078.db2.gz NQYHGDWXWZJCPP-XJKSGUPXSA-N 1 3 246.398 3.117 10 0 BGAEHO Cc1ccccc1[C@@H]([NH3+])CCN1CCC[C@H](C)C1 ZINC000054015867 179324811 /nfs/dbraw/zinc/32/48/11/179324811.db2.gz NQYHGDWXWZJCPP-BBRMVZONSA-N 1 3 246.398 3.117 10 0 BGAEHO CC[NH2+][C@@H](CCN1CCC[C@H](C)C1)C(C)(C)C ZINC000054027055 170145605 /nfs/dbraw/zinc/14/56/05/170145605.db2.gz NUYCKSTZBIHQSI-KBPBESRZSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+][C@H](CCN1CCC[C@H](C)C1)C(C)(C)C ZINC000054027057 170161512 /nfs/dbraw/zinc/16/15/12/170161512.db2.gz NUYCKSTZBIHQSI-UONOGXRCSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+][C@@H](CCN1CCCCC1)C(C)(C)C ZINC000054027118 169278321 /nfs/dbraw/zinc/27/83/21/169278321.db2.gz YVABPVQIFVPAJE-AWEZNQCLSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+][C@H](CCN1CCCCC1)C(C)(C)C ZINC000054027120 169289196 /nfs/dbraw/zinc/28/91/96/169289196.db2.gz YVABPVQIFVPAJE-CQSZACIVSA-N 1 3 240.435 3.277 10 0 BGAEHO CC(C)(C)[C@@H](N)CC[NH+]1CCCCCCC1 ZINC000054027358 166696554 /nfs/dbraw/zinc/69/65/54/166696554.db2.gz UZAKUYWMWRKMMZ-ZDUSSCGKSA-N 1 3 226.408 3.016 10 0 BGAEHO CC[NH2+][C@@H](CCN(CC)CC(C)C)C(C)(C)C ZINC000054027497 170145211 /nfs/dbraw/zinc/14/52/11/170145211.db2.gz VCMNXIOSMSQSFG-AWEZNQCLSA-N 1 3 242.451 3.379 10 0 BGAEHO CC[NH2+][C@H](CCN(CC)CC(C)C)C(C)(C)C ZINC000054027499 170161926 /nfs/dbraw/zinc/16/19/26/170161926.db2.gz VCMNXIOSMSQSFG-CQSZACIVSA-N 1 3 242.451 3.379 10 0 BGAEHO CCC[NH2+][C@@H](CCN(C)CC(C)C)C(C)(C)C ZINC000054027619 169278113 /nfs/dbraw/zinc/27/81/13/169278113.db2.gz ARCPGKINTWQRGO-AWEZNQCLSA-N 1 3 242.451 3.379 10 0 BGAEHO CCC[NH2+][C@H](CCN(C)CC(C)C)C(C)(C)C ZINC000054027621 169289101 /nfs/dbraw/zinc/28/91/01/169289101.db2.gz ARCPGKINTWQRGO-CQSZACIVSA-N 1 3 242.451 3.379 10 0 BGAEHO CCC1CCN(CC[C@@H]([NH2+]C)C(C)(C)C)CC1 ZINC000054046406 168528156 /nfs/dbraw/zinc/52/81/56/168528156.db2.gz GNCBNGDAQXGHFD-CQSZACIVSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000054559700 171308618 /nfs/dbraw/zinc/30/86/18/171308618.db2.gz FUGSBOKOOKHHJL-XGUBFFRZSA-N 1 3 240.435 3.116 10 0 BGAEHO CC[C@H](C)[N@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000054559700 171308617 /nfs/dbraw/zinc/30/86/17/171308617.db2.gz FUGSBOKOOKHHJL-XGUBFFRZSA-N 1 3 240.435 3.116 10 0 BGAEHO C[C@@H](c1ccccc1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601338 176021704 /nfs/dbraw/zinc/02/17/04/176021704.db2.gz BZCBXWJMJUXVIL-WWTUQBGBSA-N 1 3 244.382 3.092 10 0 BGAEHO C[C@H](c1ccccc1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601339 177039865 /nfs/dbraw/zinc/03/98/65/177039865.db2.gz BZCBXWJMJUXVIL-OHRKKDJYSA-N 1 3 244.382 3.092 10 0 BGAEHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC(C)(C)C ZINC000054602354 170109201 /nfs/dbraw/zinc/10/92/01/170109201.db2.gz SFQPGZLHPMYIFO-AGUYFDCRSA-N 1 3 238.419 3.028 10 0 BGAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(CC)CC ZINC000054603363 169256136 /nfs/dbraw/zinc/25/61/36/169256136.db2.gz JLBXVENUHSTWRZ-LQDVMPOASA-N 1 3 238.419 3.170 10 0 BGAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C(CC)CC ZINC000054603363 169256135 /nfs/dbraw/zinc/25/61/35/169256135.db2.gz JLBXVENUHSTWRZ-LQDVMPOASA-N 1 3 238.419 3.170 10 0 BGAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)(C)CC ZINC000054626538 169256223 /nfs/dbraw/zinc/25/62/23/169256223.db2.gz KTJRDTFCZXIQPW-AGUYFDCRSA-N 1 3 238.419 3.170 10 0 BGAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)(C)CC ZINC000054626538 169256222 /nfs/dbraw/zinc/25/62/22/169256222.db2.gz KTJRDTFCZXIQPW-AGUYFDCRSA-N 1 3 238.419 3.170 10 0 BGAEHO CCC[C@@H](CC)[N@@H+]1[C@@H]2CC[C@H]1CC(NCC)C2 ZINC000054628495 169375240 /nfs/dbraw/zinc/37/52/40/169375240.db2.gz KMLYFMALTFOHKJ-NUDNTCICSA-N 1 3 238.419 3.170 10 0 BGAEHO CCC[C@@H](CC)[N@H+]1[C@@H]2CC[C@H]1CC(NCC)C2 ZINC000054628495 169375239 /nfs/dbraw/zinc/37/52/39/169375239.db2.gz KMLYFMALTFOHKJ-NUDNTCICSA-N 1 3 238.419 3.170 10 0 BGAEHO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(C)(C)C ZINC000054628705 169256082 /nfs/dbraw/zinc/25/60/82/169256082.db2.gz QUGRPQAJZHGMOC-AGUYFDCRSA-N 1 3 238.419 3.028 10 0 BGAEHO CCCN(CCC)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055022379 169151137 /nfs/dbraw/zinc/15/11/37/169151137.db2.gz BRHUPEDAAXUURR-AWEZNQCLSA-N 1 3 247.386 3.176 10 0 BGAEHO CCCN(CCC)[C@H](CC(N)=[NH2+])c1ccccc1 ZINC000055022381 169152206 /nfs/dbraw/zinc/15/22/06/169152206.db2.gz BRHUPEDAAXUURR-CQSZACIVSA-N 1 3 247.386 3.176 10 0 BGAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CC[C@H](N)C(C)(C)C ZINC000058058412 177117255 /nfs/dbraw/zinc/11/72/55/177117255.db2.gz LPNJYUJZSMYXHB-XQQFMLRXSA-N 1 3 226.408 3.013 10 0 BGAEHO C[C@@H]1CCC[C@H](C)[N@H+]1CC[C@H](N)C(C)(C)C ZINC000058058412 177117254 /nfs/dbraw/zinc/11/72/54/177117254.db2.gz LPNJYUJZSMYXHB-XQQFMLRXSA-N 1 3 226.408 3.013 10 0 BGAEHO C[C@@H]1CCC[C@@H](C)[NH+]1CC[C@H](N)C(C)(C)C ZINC000058058418 176115359 /nfs/dbraw/zinc/11/53/59/176115359.db2.gz LPNJYUJZSMYXHB-UPJWGTAASA-N 1 3 226.408 3.013 10 0 BGAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CCCCC[C@@H]1N ZINC000058082459 177117517 /nfs/dbraw/zinc/11/75/17/177117517.db2.gz XZGZQYAQHNXWSC-XGUBFFRZSA-N 1 3 238.419 3.157 10 0 BGAEHO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CCCCC[C@@H]1N ZINC000058082459 177117515 /nfs/dbraw/zinc/11/75/15/177117515.db2.gz XZGZQYAQHNXWSC-XGUBFFRZSA-N 1 3 238.419 3.157 10 0 BGAEHO C[C@H]1CCC[C@H](C)[NH+]1C[C@@H]1CCCCC[C@@H]1N ZINC000058082466 177132505 /nfs/dbraw/zinc/13/25/05/177132505.db2.gz XZGZQYAQHNXWSC-AJNGGQMLSA-N 1 3 238.419 3.157 10 0 BGAEHO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CCCCC[C@@H]1N ZINC000058082473 176116023 /nfs/dbraw/zinc/11/60/23/176116023.db2.gz XZGZQYAQHNXWSC-KBXIAJHMSA-N 1 3 238.419 3.157 10 0 BGAEHO CC(C)(C)CC[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000059015921 166570590 /nfs/dbraw/zinc/57/05/90/166570590.db2.gz NALLLCODJQQEJX-UHFFFAOYSA-N 1 3 240.435 3.321 10 0 BGAEHO CN(C)Cc1ccccc1C[NH2+]CCC(C)(C)C ZINC000059382894 172504384 /nfs/dbraw/zinc/50/43/84/172504384.db2.gz HVTUGYYZWZKHGI-UHFFFAOYSA-N 1 3 248.414 3.274 10 0 BGAEHO CC[NH2+]C[C@@H](C)CN(Cc1ccccc1)C(C)C ZINC000060403803 170119155 /nfs/dbraw/zinc/11/91/55/170119155.db2.gz XGWVDURSSUZPBJ-OAHLLOKOSA-N 1 3 248.414 3.143 10 0 BGAEHO CC[NH2+]C[C@H](C)CN(Cc1ccccc1)C(C)C ZINC000060403805 170121840 /nfs/dbraw/zinc/12/18/40/170121840.db2.gz XGWVDURSSUZPBJ-HNNXBMFYSA-N 1 3 248.414 3.143 10 0 BGAEHO CC[NH2+][C@@H]1CCCC[C@@H]1CN1CCCC[C@@H]1C ZINC000060720704 170150668 /nfs/dbraw/zinc/15/06/68/170150668.db2.gz SXEUHUFWGUPKPU-RRFJBIMHSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[NH2+][C@H]1CCCC[C@@H]1CN1CCCC[C@@H]1C ZINC000060720705 170165614 /nfs/dbraw/zinc/16/56/14/170165614.db2.gz SXEUHUFWGUPKPU-ZNMIVQPWSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[NH2+][C@@H]1CCCC[C@H]1CN1CCCC[C@@H]1C ZINC000060720706 170150913 /nfs/dbraw/zinc/15/09/13/170150913.db2.gz SXEUHUFWGUPKPU-SOUVJXGZSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[NH2+][C@H]1CCCC[C@H]1CN1CCCC[C@@H]1C ZINC000060720707 170166075 /nfs/dbraw/zinc/16/60/75/170166075.db2.gz SXEUHUFWGUPKPU-KKUMJFAQSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@@H]1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000060720766 170150441 /nfs/dbraw/zinc/15/04/41/170150441.db2.gz SBPUJBNRUCSQDP-HUUCEWRRSA-N 1 3 238.419 3.031 10 0 BGAEHO CCN[C@H]1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000060720767 170165720 /nfs/dbraw/zinc/16/57/20/170165720.db2.gz SBPUJBNRUCSQDP-CABCVRRESA-N 1 3 238.419 3.031 10 0 BGAEHO CCN[C@@H]1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000060720768 170150624 /nfs/dbraw/zinc/15/06/24/170150624.db2.gz SBPUJBNRUCSQDP-LSDHHAIUSA-N 1 3 238.419 3.031 10 0 BGAEHO CCN[C@H]1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000060720769 170166278 /nfs/dbraw/zinc/16/62/78/170166278.db2.gz SBPUJBNRUCSQDP-GJZGRUSLSA-N 1 3 238.419 3.031 10 0 BGAEHO CCC[NH+](CCC)C[C@@H]1CCCC[C@@H]1NCC ZINC000060743306 169148723 /nfs/dbraw/zinc/14/87/23/169148723.db2.gz RJCXSCWKCNZBAY-GJZGRUSLSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH+](CCC)C[C@H]1CCCC[C@@H]1NCC ZINC000060743307 169148395 /nfs/dbraw/zinc/14/83/95/169148395.db2.gz RJCXSCWKCNZBAY-CABCVRRESA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH+](CCC)C[C@@H]1CCCC[C@H]1NCC ZINC000060743309 169149362 /nfs/dbraw/zinc/14/93/62/169149362.db2.gz RJCXSCWKCNZBAY-LSDHHAIUSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH+](CCC)C[C@H]1CCCC[C@H]1NCC ZINC000060743310 169148656 /nfs/dbraw/zinc/14/86/56/169148656.db2.gz RJCXSCWKCNZBAY-HUUCEWRRSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1CN(CC)CCC ZINC000060743986 169281936 /nfs/dbraw/zinc/28/19/36/169281936.db2.gz XCKSSSMUHQIOHB-HUUCEWRRSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+][C@H]1CCCC[C@@H]1CN(CC)CCC ZINC000060743988 169290752 /nfs/dbraw/zinc/29/07/52/169290752.db2.gz XCKSSSMUHQIOHB-CABCVRRESA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+][C@@H]1CCCC[C@H]1CN(CC)CCC ZINC000060743991 169282025 /nfs/dbraw/zinc/28/20/25/169282025.db2.gz XCKSSSMUHQIOHB-LSDHHAIUSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+][C@H]1CCCC[C@H]1CN(CC)CCC ZINC000060743993 169290371 /nfs/dbraw/zinc/29/03/71/169290371.db2.gz XCKSSSMUHQIOHB-GJZGRUSLSA-N 1 3 240.435 3.277 10 0 BGAEHO CC[NH2+][C@@H]1CCCC[C@@H]1CN(C)C1CCCC1 ZINC000060744221 170150169 /nfs/dbraw/zinc/15/01/69/170150169.db2.gz SHSRMGCDKYNYMU-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@@H]1CCCC[C@@H]1C[N@@H+](C)C1CCCC1 ZINC000060744221 170150168 /nfs/dbraw/zinc/15/01/68/170150168.db2.gz SHSRMGCDKYNYMU-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@@H]1CCCC[C@@H]1C[N@H+](C)C1CCCC1 ZINC000060744221 170150167 /nfs/dbraw/zinc/15/01/67/170150167.db2.gz SHSRMGCDKYNYMU-UKRRQHHQSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[NH2+][C@H]1CCCC[C@@H]1CN(C)C1CCCC1 ZINC000060744223 170166275 /nfs/dbraw/zinc/16/62/75/170166275.db2.gz SHSRMGCDKYNYMU-HIFRSBDPSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@H]1CCCC[C@@H]1C[N@@H+](C)C1CCCC1 ZINC000060744223 170166274 /nfs/dbraw/zinc/16/62/74/170166274.db2.gz SHSRMGCDKYNYMU-HIFRSBDPSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@H]1CCCC[C@@H]1C[N@H+](C)C1CCCC1 ZINC000060744223 170166273 /nfs/dbraw/zinc/16/62/73/170166273.db2.gz SHSRMGCDKYNYMU-HIFRSBDPSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[NH2+][C@@H]1CCCC[C@H]1CN(C)C1CCCC1 ZINC000060744226 170150934 /nfs/dbraw/zinc/15/09/34/170150934.db2.gz SHSRMGCDKYNYMU-DZGCQCFKSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@@H]1CCCC[C@H]1C[N@@H+](C)C1CCCC1 ZINC000060744226 170150932 /nfs/dbraw/zinc/15/09/32/170150932.db2.gz SHSRMGCDKYNYMU-DZGCQCFKSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@@H]1CCCC[C@H]1C[N@H+](C)C1CCCC1 ZINC000060744226 170150929 /nfs/dbraw/zinc/15/09/29/170150929.db2.gz SHSRMGCDKYNYMU-DZGCQCFKSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[NH2+][C@H]1CCCC[C@H]1CN(C)C1CCCC1 ZINC000060744229 170165835 /nfs/dbraw/zinc/16/58/35/170165835.db2.gz SHSRMGCDKYNYMU-ZFWWWQNUSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@H]1CCCC[C@H]1C[N@@H+](C)C1CCCC1 ZINC000060744229 170165833 /nfs/dbraw/zinc/16/58/33/170165833.db2.gz SHSRMGCDKYNYMU-ZFWWWQNUSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@H]1CCCC[C@H]1C[N@H+](C)C1CCCC1 ZINC000060744229 170165832 /nfs/dbraw/zinc/16/58/32/170165832.db2.gz SHSRMGCDKYNYMU-ZFWWWQNUSA-N 1 3 238.419 3.029 10 0 BGAEHO CC(C)[NH2+]CC(C)(C)CN1CCC(C)(C)CC1 ZINC000061822416 167097518 /nfs/dbraw/zinc/09/75/18/167097518.db2.gz GJNWHYPVUVOSTC-UHFFFAOYSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC(CC)(CNC)C[NH+]1CCC(C)(C)CC1 ZINC000061822420 168325215 /nfs/dbraw/zinc/32/52/15/168325215.db2.gz ZXXCHHPAMMJBDZ-UHFFFAOYSA-N 1 3 240.435 3.134 10 0 BGAEHO C[C@@H](CC[NH2+]C(C)(C)C)N1CCC(C)(C)CC1 ZINC000061823320 175675775 /nfs/dbraw/zinc/67/57/75/175675775.db2.gz WDQHPHVHSPUMHL-ZDUSSCGKSA-N 1 3 240.435 3.275 10 0 BGAEHO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C(C)(C)CN ZINC000062013493 176016723 /nfs/dbraw/zinc/01/67/23/176016723.db2.gz CATHDQADSWROKL-JTQLQIEISA-N 1 3 240.778 3.070 10 0 BGAEHO C[C@@H](c1cccc(Cl)c1)[N@H+](C)C(C)(C)CN ZINC000062013493 176016721 /nfs/dbraw/zinc/01/67/21/176016721.db2.gz CATHDQADSWROKL-JTQLQIEISA-N 1 3 240.778 3.070 10 0 BGAEHO C[C@H](c1cccc(Cl)c1)[N@@H+](C)C(C)(C)CN ZINC000062013494 177035459 /nfs/dbraw/zinc/03/54/59/177035459.db2.gz CATHDQADSWROKL-SNVBAGLBSA-N 1 3 240.778 3.070 10 0 BGAEHO C[C@H](c1cccc(Cl)c1)[N@H+](C)C(C)(C)CN ZINC000062013494 177035458 /nfs/dbraw/zinc/03/54/58/177035458.db2.gz CATHDQADSWROKL-SNVBAGLBSA-N 1 3 240.778 3.070 10 0 BGAEHO CC[C@@H]1CCN(CCCC(C)C)C[C@H](C)C[NH2+]1 ZINC000062097615 171013015 /nfs/dbraw/zinc/01/30/15/171013015.db2.gz VIEZQLPTDUPAPT-HUUCEWRRSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[C@@H]1CC[N@@H+](CCCC(C)C)C[C@H](C)CN1 ZINC000062097615 171013013 /nfs/dbraw/zinc/01/30/13/171013013.db2.gz VIEZQLPTDUPAPT-HUUCEWRRSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[C@@H]1CC[N@H+](CCCC(C)C)C[C@H](C)CN1 ZINC000062097615 171013010 /nfs/dbraw/zinc/01/30/10/171013010.db2.gz VIEZQLPTDUPAPT-HUUCEWRRSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+][C@@H]1CCN(CCCC(C)C)[C@H](C)C1 ZINC000062097979 169282358 /nfs/dbraw/zinc/28/23/58/169282358.db2.gz NWXBFUYTANNVAW-HUUCEWRRSA-N 1 3 240.435 3.275 10 0 BGAEHO CCC[NH2+][C@H]1CCN(CCCC(C)C)[C@H](C)C1 ZINC000062097982 169292053 /nfs/dbraw/zinc/29/20/53/169292053.db2.gz NWXBFUYTANNVAW-CABCVRRESA-N 1 3 240.435 3.275 10 0 BGAEHO CC[C@@]1(C[NH+]2CCCCCCC2)CCCNC1 ZINC000062861854 171211839 /nfs/dbraw/zinc/21/18/39/171211839.db2.gz BXNAODHLALBMGS-OAHLLOKOSA-N 1 3 238.419 3.032 10 0 BGAEHO CCC[N@@H+](C[C@]1(CCC)CCCNC1)C(C)C ZINC000062861930 169173562 /nfs/dbraw/zinc/17/35/62/169173562.db2.gz NGOFZFOMZCZLRU-OAHLLOKOSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[N@H+](C[C@]1(CCC)CCCNC1)C(C)C ZINC000062861930 169173561 /nfs/dbraw/zinc/17/35/61/169173561.db2.gz NGOFZFOMZCZLRU-OAHLLOKOSA-N 1 3 240.435 3.277 10 0 BGAEHO CC[C@@]1(C[N@@H+](C)[C@@H](C)CC(C)C)CCCNC1 ZINC000062862742 171211107 /nfs/dbraw/zinc/21/11/07/171211107.db2.gz PNCACWKOFIXJBN-LSDHHAIUSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[C@@]1(C[N@H+](C)[C@@H](C)CC(C)C)CCCNC1 ZINC000062862742 171211106 /nfs/dbraw/zinc/21/11/06/171211106.db2.gz PNCACWKOFIXJBN-LSDHHAIUSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+][C@@H](C)CCN1CCC(C)(CC)CC1 ZINC000062953143 169274716 /nfs/dbraw/zinc/27/47/16/169274716.db2.gz OYCRXQINAIKXOC-AWEZNQCLSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+][C@H](C)CCN1CCC(C)(CC)CC1 ZINC000062953144 169286128 /nfs/dbraw/zinc/28/61/28/169286128.db2.gz OYCRXQINAIKXOC-CQSZACIVSA-N 1 3 240.435 3.277 10 0 BGAEHO CCC[NH2+]C[C@@H](C)CN1CCC(C)(CC)CC1 ZINC000062958287 169261690 /nfs/dbraw/zinc/26/16/90/169261690.db2.gz DAOFHFKDSSPRHA-CQSZACIVSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[NH2+]C[C@H](C)CN1CCC(C)(CC)CC1 ZINC000062958288 169263924 /nfs/dbraw/zinc/26/39/24/169263924.db2.gz DAOFHFKDSSPRHA-AWEZNQCLSA-N 1 3 240.435 3.134 10 0 BGAEHO CC[NH2+][C@@H](CCN1CCCC1(C)C)C(C)(C)C ZINC000063073288 170145275 /nfs/dbraw/zinc/14/52/75/170145275.db2.gz FSZFYZGCBNRHOV-ZDUSSCGKSA-N 1 3 240.435 3.275 10 0 BGAEHO CC[NH2+][C@H](CCN1CCCC1(C)C)C(C)(C)C ZINC000063073289 170161736 /nfs/dbraw/zinc/16/17/36/170161736.db2.gz FSZFYZGCBNRHOV-CYBMUJFWSA-N 1 3 240.435 3.275 10 0 BGAEHO CCCNC[C@@](C)(CC)C[N@H+]1CCCC1(C)C ZINC000063073425 169263643 /nfs/dbraw/zinc/26/36/43/169263643.db2.gz GXATYBNORPJIRM-OAHLLOKOSA-N 1 3 240.435 3.277 10 0 BGAEHO CCCNC[C@@](C)(CC)C[N@@H+]1CCCC1(C)C ZINC000063073425 169263640 /nfs/dbraw/zinc/26/36/40/169263640.db2.gz GXATYBNORPJIRM-OAHLLOKOSA-N 1 3 240.435 3.277 10 0 BGAEHO CCCNC[C@](C)(CC)C[N@H+]1CCCC1(C)C ZINC000063073426 169264550 /nfs/dbraw/zinc/26/45/50/169264550.db2.gz GXATYBNORPJIRM-HNNXBMFYSA-N 1 3 240.435 3.277 10 0 BGAEHO CCCNC[C@](C)(CC)C[N@@H+]1CCCC1(C)C ZINC000063073426 169264549 /nfs/dbraw/zinc/26/45/49/169264549.db2.gz GXATYBNORPJIRM-HNNXBMFYSA-N 1 3 240.435 3.277 10 0 BGAEHO CCNC[C@@H](c1ccccc1)[N@H+]1CCCC1(C)C ZINC000063073981 170119733 /nfs/dbraw/zinc/11/97/33/170119733.db2.gz SPHPASYGCFNBDJ-HNNXBMFYSA-N 1 3 246.398 3.212 10 0 BGAEHO CCNC[C@@H](c1ccccc1)[N@@H+]1CCCC1(C)C ZINC000063073981 170119731 /nfs/dbraw/zinc/11/97/31/170119731.db2.gz SPHPASYGCFNBDJ-HNNXBMFYSA-N 1 3 246.398 3.212 10 0 BGAEHO CCNC[C@H](c1ccccc1)[N@H+]1CCCC1(C)C ZINC000063073982 170123070 /nfs/dbraw/zinc/12/30/70/170123070.db2.gz SPHPASYGCFNBDJ-OAHLLOKOSA-N 1 3 246.398 3.212 10 0 BGAEHO CCNC[C@H](c1ccccc1)[N@@H+]1CCCC1(C)C ZINC000063073982 170123067 /nfs/dbraw/zinc/12/30/67/170123067.db2.gz SPHPASYGCFNBDJ-OAHLLOKOSA-N 1 3 246.398 3.212 10 0 BGAEHO CC[C@H](C(C)C)[N@H+]1CCC[C@H](CNC(C)C)C1 ZINC000063136503 171242439 /nfs/dbraw/zinc/24/24/39/171242439.db2.gz PTQDXQISCSSEGI-HUUCEWRRSA-N 1 3 240.435 3.131 10 0 BGAEHO CC[C@H](C(C)C)[N@@H+]1CCC[C@H](CNC(C)C)C1 ZINC000063136503 171242438 /nfs/dbraw/zinc/24/24/38/171242438.db2.gz PTQDXQISCSSEGI-HUUCEWRRSA-N 1 3 240.435 3.131 10 0 BGAEHO CC(C)[NH2+]C[C@@H]1CCCN(C2CCCCC2)C1 ZINC000063136769 167111988 /nfs/dbraw/zinc/11/19/88/167111988.db2.gz RZNIFRHVAFXERR-AWEZNQCLSA-N 1 3 238.419 3.029 10 0 BGAEHO CC(C)[NH2+]C[C@H]1CCCN(C2CCCCC2)C1 ZINC000063136772 167115530 /nfs/dbraw/zinc/11/55/30/167115530.db2.gz RZNIFRHVAFXERR-CQSZACIVSA-N 1 3 238.419 3.029 10 0 BGAEHO CCC[NH2+][C@@H]1CCN([C@@H]2CCC[C@@H]2C)[C@H](C)C1 ZINC000071207950 169283345 /nfs/dbraw/zinc/28/33/45/169283345.db2.gz KPFIZCQAXUSMPP-GBJTYRQASA-N 1 3 238.419 3.028 10 0 BGAEHO CCCN[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2C)[C@H](C)C1 ZINC000071207950 169283343 /nfs/dbraw/zinc/28/33/43/169283343.db2.gz KPFIZCQAXUSMPP-GBJTYRQASA-N 1 3 238.419 3.028 10 0 BGAEHO CCCN[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2C)[C@H](C)C1 ZINC000071207950 169283342 /nfs/dbraw/zinc/28/33/42/169283342.db2.gz KPFIZCQAXUSMPP-GBJTYRQASA-N 1 3 238.419 3.028 10 0 BGAEHO CCC[N@@H+]([C@@H](C)C1CCCCC1)[C@@H]1CCNC1 ZINC000071314850 169180511 /nfs/dbraw/zinc/18/05/11/169180511.db2.gz GDZYRTCGHYECMD-DZGCQCFKSA-N 1 3 238.419 3.029 10 0 BGAEHO CCC[N@H+]([C@@H](C)C1CCCCC1)[C@@H]1CCNC1 ZINC000071314850 169180509 /nfs/dbraw/zinc/18/05/09/169180509.db2.gz GDZYRTCGHYECMD-DZGCQCFKSA-N 1 3 238.419 3.029 10 0 BGAEHO CCC[N@@H+]([C@@H](C)C1CCCCC1)[C@H]1CCNC1 ZINC000071314851 169181161 /nfs/dbraw/zinc/18/11/61/169181161.db2.gz GDZYRTCGHYECMD-ZFWWWQNUSA-N 1 3 238.419 3.029 10 0 BGAEHO CCC[N@H+]([C@@H](C)C1CCCCC1)[C@H]1CCNC1 ZINC000071314851 169181160 /nfs/dbraw/zinc/18/11/60/169181160.db2.gz GDZYRTCGHYECMD-ZFWWWQNUSA-N 1 3 238.419 3.029 10 0 BGAEHO CCCN1CC[C@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC000073656010 169208965 /nfs/dbraw/zinc/20/89/65/169208965.db2.gz QQDMGWDUOJOHSH-HOCLYGCPSA-N 1 3 246.398 3.039 10 0 BGAEHO CCCN1CC[C@@H]([NH2+]Cc2ccccc2)C[C@@H]1C ZINC000073656013 169207576 /nfs/dbraw/zinc/20/75/76/169207576.db2.gz QQDMGWDUOJOHSH-GOEBONIOSA-N 1 3 246.398 3.039 10 0 BGAEHO CC[C@@]1(C)C[C@@]2(CCC[NH2+]C2)CCS1 ZINC000075623084 171207181 /nfs/dbraw/zinc/20/71/81/171207181.db2.gz XFPQOIPFAAYCMM-NWDGAFQWSA-N 1 3 213.390 3.052 10 0 BGAEHO CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084219638 644421250 /nfs/dbraw/zinc/42/12/50/644421250.db2.gz OYKVFXZWSIHKOI-BFHYXJOUSA-N 1 3 226.408 3.062 10 0 BGAEHO CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN ZINC000084219649 631436993 /nfs/dbraw/zinc/43/69/93/631436993.db2.gz OYKVFXZWSIHKOI-MJBXVCDLSA-N 1 3 226.408 3.062 10 0 BGAEHO CCC[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)c1ccccc1 ZINC000089149030 359994349 /nfs/dbraw/zinc/99/43/49/359994349.db2.gz KZZJZNGVJROURF-OWCLPIDISA-N 1 3 246.398 3.245 10 0 BGAEHO CCC[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089149030 359994345 /nfs/dbraw/zinc/99/43/45/359994345.db2.gz KZZJZNGVJROURF-OWCLPIDISA-N 1 3 246.398 3.245 10 0 BGAEHO CCC[C@H]([NH2+][C@H]1CCC[C@@H]1CN)c1ccccc1 ZINC000089149032 359993822 /nfs/dbraw/zinc/99/38/22/359993822.db2.gz KZZJZNGVJROURF-PMPSAXMXSA-N 1 3 246.398 3.245 10 0 BGAEHO CCC[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089149032 359993817 /nfs/dbraw/zinc/99/38/17/359993817.db2.gz KZZJZNGVJROURF-PMPSAXMXSA-N 1 3 246.398 3.245 10 0 BGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]2CN)c1 ZINC000089149343 135531571 /nfs/dbraw/zinc/53/15/71/135531571.db2.gz FTKZQFWABYLJNF-LZWOXQAQSA-N 1 3 246.398 3.081 10 0 BGAEHO Cc1ccc(C)c([C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149343 135531570 /nfs/dbraw/zinc/53/15/70/135531570.db2.gz FTKZQFWABYLJNF-LZWOXQAQSA-N 1 3 246.398 3.081 10 0 BGAEHO CCCC1CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000089150391 644535936 /nfs/dbraw/zinc/53/59/36/644535936.db2.gz MSGWGICSFYLWHF-HXSCFSKGSA-N 1 3 238.419 3.062 10 0 BGAEHO CCCC1CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000089150392 644535358 /nfs/dbraw/zinc/53/53/58/644535358.db2.gz MSGWGICSFYLWHF-JYVUQVBGSA-N 1 3 238.419 3.062 10 0 BGAEHO CCCC1CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000089150393 644536350 /nfs/dbraw/zinc/53/63/50/644536350.db2.gz MSGWGICSFYLWHF-OOJKYFRXSA-N 1 3 238.419 3.062 10 0 BGAEHO CCCC1CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000089150394 644536330 /nfs/dbraw/zinc/53/63/30/644536330.db2.gz MSGWGICSFYLWHF-SHWKFHJASA-N 1 3 238.419 3.062 10 0 BGAEHO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)C1CCCCC1 ZINC000089150553 644536921 /nfs/dbraw/zinc/53/69/21/644536921.db2.gz PMHLSUKMTHRHMV-QLFBSQMISA-N 1 3 238.419 3.062 10 0 BGAEHO CC[C@H]([NH2+][C@H]1CCC[C@@H]1CN)C1CCCCC1 ZINC000089150555 644536137 /nfs/dbraw/zinc/53/61/37/644536137.db2.gz PMHLSUKMTHRHMV-ILXRZTDVSA-N 1 3 238.419 3.062 10 0 BGAEHO CCN(CC)CCC[NH2+]CC1CCC(C)CC1 ZINC000089575535 360027205 /nfs/dbraw/zinc/02/72/05/360027205.db2.gz NIZVCUIBNTXUSC-UHFFFAOYSA-N 1 3 240.435 3.134 10 0 BGAEHO C/C(C=[N+]1CCCCC1)=C/C=C/N1CCCCC1 ZINC000090756028 187243578 /nfs/dbraw/zinc/24/35/78/187243578.db2.gz DGXXNSJVNJOSJG-UHFFFAOYSA-N 1 3 247.406 3.200 10 0 BGAEHO CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCCN1)C(C)C ZINC000093516032 384244249 /nfs/dbraw/zinc/24/42/49/384244249.db2.gz MEVANHWKROMFSR-KKUMJFAQSA-N 1 3 240.435 3.321 10 0 BGAEHO CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCCN1)C(C)C ZINC000093516034 386836980 /nfs/dbraw/zinc/83/69/80/386836980.db2.gz MEVANHWKROMFSR-ILXRZTDVSA-N 1 3 240.435 3.321 10 0 BGAEHO Cc1cc(N[C@@H](C)CCC[NH3+])c2ccccc2n1 ZINC000094948128 360328517 /nfs/dbraw/zinc/32/85/17/360328517.db2.gz GRYPNUTWMNBFQW-NSHDSACASA-N 1 3 243.354 3.083 10 0 BGAEHO Cc1cc(N[C@H](C)CCC[NH3+])c2ccccc2n1 ZINC000094948129 135622698 /nfs/dbraw/zinc/62/26/98/135622698.db2.gz GRYPNUTWMNBFQW-LLVKDONJSA-N 1 3 243.354 3.083 10 0 BGAEHO CC(C)(C)[C@H]1[C@H](N)CCC[N@H+]1Cc1ccccc1 ZINC000096964446 188223825 /nfs/dbraw/zinc/22/38/25/188223825.db2.gz KVSZYNFYHMUZIY-HUUCEWRRSA-N 1 3 246.398 3.024 10 0 BGAEHO CC(C)(C)[C@H]1[C@H](N)CCC[N@@H+]1Cc1ccccc1 ZINC000096964446 188223823 /nfs/dbraw/zinc/22/38/23/188223823.db2.gz KVSZYNFYHMUZIY-HUUCEWRRSA-N 1 3 246.398 3.024 10 0 BGAEHO CC(C)(C)[C@@H]1[C@@H](N)CCC[N@H+]1Cc1ccccc1 ZINC000096964447 188051031 /nfs/dbraw/zinc/05/10/31/188051031.db2.gz KVSZYNFYHMUZIY-GJZGRUSLSA-N 1 3 246.398 3.024 10 0 BGAEHO CC(C)(C)[C@@H]1[C@@H](N)CCC[N@@H+]1Cc1ccccc1 ZINC000096964447 188051030 /nfs/dbraw/zinc/05/10/30/188051030.db2.gz KVSZYNFYHMUZIY-GJZGRUSLSA-N 1 3 246.398 3.024 10 0 BGAEHO CC(C)(C)[C@H]1[C@@H](N)CCC[N@H+]1Cc1ccccc1 ZINC000096964448 188050959 /nfs/dbraw/zinc/05/09/59/188050959.db2.gz KVSZYNFYHMUZIY-LSDHHAIUSA-N 1 3 246.398 3.024 10 0 BGAEHO CC(C)(C)[C@H]1[C@@H](N)CCC[N@@H+]1Cc1ccccc1 ZINC000096964448 188050957 /nfs/dbraw/zinc/05/09/57/188050957.db2.gz KVSZYNFYHMUZIY-LSDHHAIUSA-N 1 3 246.398 3.024 10 0 BGAEHO CCCNCC(C)(C)C[N@H+]1CCC[C@H](C)CC1 ZINC000104346278 169255349 /nfs/dbraw/zinc/25/53/49/169255349.db2.gz IIIWKYJYLPKQIC-AWEZNQCLSA-N 1 3 240.435 3.134 10 0 BGAEHO CCCNCC(C)(C)C[N@@H+]1CCC[C@H](C)CC1 ZINC000104346278 169255347 /nfs/dbraw/zinc/25/53/47/169255347.db2.gz IIIWKYJYLPKQIC-AWEZNQCLSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[NH2+]CC(C)(C)CN1CCC[C@H](C)CC1 ZINC000104346278 169255346 /nfs/dbraw/zinc/25/53/46/169255346.db2.gz IIIWKYJYLPKQIC-AWEZNQCLSA-N 1 3 240.435 3.134 10 0 BGAEHO CCCNCC(C)(C)C[N@H+]1CCC[C@@H](C)CC1 ZINC000104346282 169255549 /nfs/dbraw/zinc/25/55/49/169255549.db2.gz IIIWKYJYLPKQIC-CQSZACIVSA-N 1 3 240.435 3.134 10 0 BGAEHO CCCNCC(C)(C)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000104346282 169255548 /nfs/dbraw/zinc/25/55/48/169255548.db2.gz IIIWKYJYLPKQIC-CQSZACIVSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC[NH2+]CC(C)(C)CN1CCC[C@@H](C)CC1 ZINC000104346282 169255547 /nfs/dbraw/zinc/25/55/47/169255547.db2.gz IIIWKYJYLPKQIC-CQSZACIVSA-N 1 3 240.435 3.134 10 0 BGAEHO C[C@@H]1CCCN(CCC[NH2+]C2CCCC2)CC1 ZINC000104346302 176098004 /nfs/dbraw/zinc/09/80/04/176098004.db2.gz GMWDKEVZHLRXFB-CQSZACIVSA-N 1 3 238.419 3.031 10 0 BGAEHO C[C@H]1CCCN(CCC[NH2+]C2CCCC2)CC1 ZINC000104346305 177098527 /nfs/dbraw/zinc/09/85/27/177098527.db2.gz GMWDKEVZHLRXFB-AWEZNQCLSA-N 1 3 238.419 3.031 10 0 BGAEHO CCC(CC)(CNC)C[N@@H+](C)CC1CCCC1 ZINC000104347909 168325751 /nfs/dbraw/zinc/32/57/51/168325751.db2.gz IHVKOMMLPPKDAU-UHFFFAOYSA-N 1 3 240.435 3.134 10 0 BGAEHO CCC(CC)(CNC)C[N@H+](C)CC1CCCC1 ZINC000104347909 168325749 /nfs/dbraw/zinc/32/57/49/168325749.db2.gz IHVKOMMLPPKDAU-UHFFFAOYSA-N 1 3 240.435 3.134 10 0 BGAEHO CC(C)C[NH2+]CC[C@@H](C)N(C)CC1CCCC1 ZINC000104366334 167005575 /nfs/dbraw/zinc/00/55/75/167005575.db2.gz BFWUWDXLYPAMCZ-CQSZACIVSA-N 1 3 240.435 3.133 10 0 BGAEHO CC(C)C[NH2+]CC[C@H](C)N(C)CC1CCCC1 ZINC000104366339 167004679 /nfs/dbraw/zinc/00/46/79/167004679.db2.gz BFWUWDXLYPAMCZ-AWEZNQCLSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+][C@@H](C)[C@@H]1CCCN(CCC(C)(C)C)C1 ZINC000104421663 170141106 /nfs/dbraw/zinc/14/11/06/170141106.db2.gz UEZLQSHHMZDADA-UONOGXRCSA-N 1 3 240.435 3.133 10 0 BGAEHO CCN[C@@H](C)[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000104421663 170141105 /nfs/dbraw/zinc/14/11/05/170141105.db2.gz UEZLQSHHMZDADA-UONOGXRCSA-N 1 3 240.435 3.133 10 0 BGAEHO CCN[C@@H](C)[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000104421663 170141101 /nfs/dbraw/zinc/14/11/01/170141101.db2.gz UEZLQSHHMZDADA-UONOGXRCSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+][C@H](C)[C@@H]1CCCN(CCC(C)(C)C)C1 ZINC000104421667 170158534 /nfs/dbraw/zinc/15/85/34/170158534.db2.gz UEZLQSHHMZDADA-ZIAGYGMSSA-N 1 3 240.435 3.133 10 0 BGAEHO CCN[C@H](C)[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000104421667 170158533 /nfs/dbraw/zinc/15/85/33/170158533.db2.gz UEZLQSHHMZDADA-ZIAGYGMSSA-N 1 3 240.435 3.133 10 0 BGAEHO CCN[C@H](C)[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000104421667 170158532 /nfs/dbraw/zinc/15/85/32/170158532.db2.gz UEZLQSHHMZDADA-ZIAGYGMSSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+][C@@H](C)[C@H]1CCCN(CCC(C)(C)C)C1 ZINC000104421669 170141201 /nfs/dbraw/zinc/14/12/01/170141201.db2.gz UEZLQSHHMZDADA-KBPBESRZSA-N 1 3 240.435 3.133 10 0 BGAEHO CCN[C@@H](C)[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000104421669 170141199 /nfs/dbraw/zinc/14/11/99/170141199.db2.gz UEZLQSHHMZDADA-KBPBESRZSA-N 1 3 240.435 3.133 10 0 BGAEHO CCN[C@@H](C)[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000104421669 170141198 /nfs/dbraw/zinc/14/11/98/170141198.db2.gz UEZLQSHHMZDADA-KBPBESRZSA-N 1 3 240.435 3.133 10 0 BGAEHO CC[NH2+][C@H](C)[C@H]1CCCN(CCC(C)(C)C)C1 ZINC000104421674 170159605 /nfs/dbraw/zinc/15/96/05/170159605.db2.gz UEZLQSHHMZDADA-KGLIPLIRSA-N 1 3 240.435 3.133 10 0 BGAEHO CCN[C@H](C)[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000104421674 170159604 /nfs/dbraw/zinc/15/96/04/170159604.db2.gz UEZLQSHHMZDADA-KGLIPLIRSA-N 1 3 240.435 3.133 10 0 BGAEHO CCN[C@H](C)[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000104421674 170159603 /nfs/dbraw/zinc/15/96/03/170159603.db2.gz UEZLQSHHMZDADA-KGLIPLIRSA-N 1 3 240.435 3.133 10 0 BGAEHO CN1CCCC[C@H]1CC[NH2+]CC1(C)CCCC1 ZINC000104441147 173006871 /nfs/dbraw/zinc/00/68/71/173006871.db2.gz JSAJVKTUZPZTIA-AWEZNQCLSA-N 1 3 238.419 3.031 10 0 BGAEHO CN1CCCC[C@@H]1CC[NH2+]CC1(C)CCCC1 ZINC000104441149 173004345 /nfs/dbraw/zinc/00/43/45/173004345.db2.gz JSAJVKTUZPZTIA-CQSZACIVSA-N 1 3 238.419 3.031 10 0 BGAEHO CCCC(C[NH3+])(CCC)NCc1ccccc1 ZINC000106024095 369077364 /nfs/dbraw/zinc/07/73/64/369077364.db2.gz OFNSEWPGNCBITM-UHFFFAOYSA-N 1 3 234.387 3.074 10 0 BGAEHO CC(C)C[C@@H](C[NH3+])Nc1ccnc2ccccc21 ZINC000111377068 188006249 /nfs/dbraw/zinc/00/62/49/188006249.db2.gz GRBHHQZFWRVDCT-LBPRGKRZSA-N 1 3 243.354 3.020 10 0 BGAEHO CC(C)C[C@H](C[NH3+])Nc1ccnc2ccccc21 ZINC000111377070 188006346 /nfs/dbraw/zinc/00/63/46/188006346.db2.gz GRBHHQZFWRVDCT-GFCCVEGCSA-N 1 3 243.354 3.020 10 0 BGAEHO CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000111707033 170141417 /nfs/dbraw/zinc/14/14/17/170141417.db2.gz WSBMGKAOFWGJKE-UONOGXRCSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000111707033 170141416 /nfs/dbraw/zinc/14/14/16/170141416.db2.gz WSBMGKAOFWGJKE-UONOGXRCSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000111707035 170158380 /nfs/dbraw/zinc/15/83/80/170158380.db2.gz WSBMGKAOFWGJKE-ZIAGYGMSSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000111707035 170158379 /nfs/dbraw/zinc/15/83/79/170158379.db2.gz WSBMGKAOFWGJKE-ZIAGYGMSSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000111707037 170141259 /nfs/dbraw/zinc/14/12/59/170141259.db2.gz WSBMGKAOFWGJKE-KBPBESRZSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000111707037 170141258 /nfs/dbraw/zinc/14/12/58/170141258.db2.gz WSBMGKAOFWGJKE-KBPBESRZSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@H](C)[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000111707039 170159515 /nfs/dbraw/zinc/15/95/15/170159515.db2.gz WSBMGKAOFWGJKE-KGLIPLIRSA-N 1 3 238.419 3.029 10 0 BGAEHO CCN[C@H](C)[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000111707039 170159514 /nfs/dbraw/zinc/15/95/14/170159514.db2.gz WSBMGKAOFWGJKE-KGLIPLIRSA-N 1 3 238.419 3.029 10 0 BGAEHO CCC[NH2+][C@@H](C)[C@@H]1CCCN(CCC(C)C)C1 ZINC000111890915 169275551 /nfs/dbraw/zinc/27/55/51/169275551.db2.gz XJARQLHRDAKPHJ-LSDHHAIUSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+][C@H](C)[C@@H]1CCCN(CCC(C)C)C1 ZINC000111890918 169286256 /nfs/dbraw/zinc/28/62/56/169286256.db2.gz XJARQLHRDAKPHJ-HUUCEWRRSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+][C@@H](C)[C@H]1CCCN(CCC(C)C)C1 ZINC000111890922 169275797 /nfs/dbraw/zinc/27/57/97/169275797.db2.gz XJARQLHRDAKPHJ-GJZGRUSLSA-N 1 3 240.435 3.133 10 0 BGAEHO CCC[NH2+][C@H](C)[C@H]1CCCN(CCC(C)C)C1 ZINC000111890926 169287419 /nfs/dbraw/zinc/28/74/19/169287419.db2.gz XJARQLHRDAKPHJ-CABCVRRESA-N 1 3 240.435 3.133 10 0 BGAEHO CC(C)CCCCCC[NH2+][C@@H]1CCCNCC1 ZINC000128918214 591177594 /nfs/dbraw/zinc/17/75/94/591177594.db2.gz FRWBRYYAYSNJDY-OAHLLOKOSA-N 1 3 240.435 3.325 10 0 BGAEHO CC(C)CCCCCC[NH2+][C@H]1CCCNCC1 ZINC000128918450 591177826 /nfs/dbraw/zinc/17/78/26/591177826.db2.gz FRWBRYYAYSNJDY-HNNXBMFYSA-N 1 3 240.435 3.325 10 0 BGAEHO CCCCCC(C)(C)C[NH2+][C@@H]1CCCNCC1 ZINC000129317964 591276444 /nfs/dbraw/zinc/27/64/44/591276444.db2.gz YCPSBXUPKSWQSN-CQSZACIVSA-N 1 3 240.435 3.325 10 0 BGAEHO CCCCCC(C)(C)C[NH2+][C@H]1CCCNCC1 ZINC000129318172 591276767 /nfs/dbraw/zinc/27/67/67/591276767.db2.gz YCPSBXUPKSWQSN-AWEZNQCLSA-N 1 3 240.435 3.325 10 0 BGAEHO CCC([NH3+])(CC)CNc1ccnc2ccccc21 ZINC000130092456 591436595 /nfs/dbraw/zinc/43/65/95/591436595.db2.gz NKRSJDGOVSCGQR-UHFFFAOYSA-N 1 3 243.354 3.164 10 0 BGAEHO CCCC[C@@H](C[NH3+])Nc1ccnc2ccccc21 ZINC000130588715 358632687 /nfs/dbraw/zinc/63/26/87/358632687.db2.gz KEZRMUXKIUFBLE-LBPRGKRZSA-N 1 3 243.354 3.164 10 0 BGAEHO CCCC[C@H](C[NH3+])Nc1ccnc2ccccc21 ZINC000130588916 358632706 /nfs/dbraw/zinc/63/27/06/358632706.db2.gz KEZRMUXKIUFBLE-GFCCVEGCSA-N 1 3 243.354 3.164 10 0 BGAEHO [NH3+]CCCCCCNc1ccnc2ccccc21 ZINC000142752975 583629030 /nfs/dbraw/zinc/62/90/30/583629030.db2.gz PYAYEJMXAYONKP-UHFFFAOYSA-N 1 3 243.354 3.166 10 0 BGAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)C1CCCCCC1 ZINC000149884049 387677513 /nfs/dbraw/zinc/67/75/13/387677513.db2.gz PVAHGYSGHTUQTH-NWANDNLSSA-N 1 3 238.419 3.062 10 0 BGAEHO C[C@H]([NH2+][C@H]1CCC[C@@H]1CN)C1CCCCCC1 ZINC000149884258 192905373 /nfs/dbraw/zinc/90/53/73/192905373.db2.gz PVAHGYSGHTUQTH-CFVMTHIKSA-N 1 3 238.419 3.062 10 0 BGAEHO C[C@H]([NH2+][C@@H]1CCC[C@H]1CN)C1CCCCCC1 ZINC000149884449 387678642 /nfs/dbraw/zinc/67/86/42/387678642.db2.gz PVAHGYSGHTUQTH-AEGPPILISA-N 1 3 238.419 3.062 10 0 BGAEHO C[C@H]([NH2+][C@H]1CCC[C@H]1CN)C1CCCCCC1 ZINC000149884635 387677562 /nfs/dbraw/zinc/67/75/62/387677562.db2.gz PVAHGYSGHTUQTH-QEJZJMRPSA-N 1 3 238.419 3.062 10 0 BGAEHO Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000181565233 538960642 /nfs/dbraw/zinc/96/06/42/538960642.db2.gz OIMBUVDLFQOUMZ-GJZGRUSLSA-N 1 3 246.398 3.130 10 0 BGAEHO Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000181565266 538960854 /nfs/dbraw/zinc/96/08/54/538960854.db2.gz OIMBUVDLFQOUMZ-LSDHHAIUSA-N 1 3 246.398 3.130 10 0 BGAEHO CC(C)=CCNCCC[N@H+](C)Cc1ccccc1 ZINC000219437866 134285102 /nfs/dbraw/zinc/28/51/02/134285102.db2.gz FBXSLIPKRYKJMK-UHFFFAOYSA-N 1 3 246.398 3.064 10 0 BGAEHO CC(C)=CCNCCC[N@@H+](C)Cc1ccccc1 ZINC000219437866 134285101 /nfs/dbraw/zinc/28/51/01/134285101.db2.gz FBXSLIPKRYKJMK-UHFFFAOYSA-N 1 3 246.398 3.064 10 0 BGAEHO CC[C@@H]1CCN(Cc2ccccc2)CC[C@@H](C)[NH2+]1 ZINC000219630834 342881155 /nfs/dbraw/zinc/88/11/55/342881155.db2.gz KYKZVLXSJKPHEJ-GDBMZVCRSA-N 1 3 246.398 3.039 10 0 BGAEHO CC[C@H]1CCN(Cc2ccccc2)CC[C@@H](C)[NH2+]1 ZINC000219630908 350134418 /nfs/dbraw/zinc/13/44/18/350134418.db2.gz KYKZVLXSJKPHEJ-ZBFHGGJFSA-N 1 3 246.398 3.039 10 0 BGAEHO Cc1cc(C)c(C[N@H+](C)CC(C)(C)CN)cc1C ZINC000220324963 134303101 /nfs/dbraw/zinc/30/31/01/134303101.db2.gz SUERWBFZOGYZGS-UHFFFAOYSA-N 1 3 248.414 3.029 10 0 BGAEHO Cc1cc(C)c(C[N@@H+](C)CC(C)(C)CN)cc1C ZINC000220324963 134303100 /nfs/dbraw/zinc/30/31/00/134303100.db2.gz SUERWBFZOGYZGS-UHFFFAOYSA-N 1 3 248.414 3.029 10 0 BGAEHO Cc1cc(C)c(CN(C)CC(C)(C)C[NH3+])cc1C ZINC000220324963 134303099 /nfs/dbraw/zinc/30/30/99/134303099.db2.gz SUERWBFZOGYZGS-UHFFFAOYSA-N 1 3 248.414 3.029 10 0 BGAEHO CC(C)[N@@H+](C[C@@H]1CCCNC1)C1CCCCC1 ZINC000220359426 134306020 /nfs/dbraw/zinc/30/60/20/134306020.db2.gz ISYBYWKVPFPOME-CQSZACIVSA-N 1 3 238.419 3.029 10 0 BGAEHO CC(C)[N@H+](C[C@@H]1CCCNC1)C1CCCCC1 ZINC000220359426 134306019 /nfs/dbraw/zinc/30/60/19/134306019.db2.gz ISYBYWKVPFPOME-CQSZACIVSA-N 1 3 238.419 3.029 10 0 BGAEHO CC(C)[N@@H+](C[C@H]1CCCNC1)C1CCCCC1 ZINC000220359494 535086763 /nfs/dbraw/zinc/08/67/63/535086763.db2.gz ISYBYWKVPFPOME-AWEZNQCLSA-N 1 3 238.419 3.029 10 0 BGAEHO CC(C)[N@H+](C[C@H]1CCCNC1)C1CCCCC1 ZINC000220359494 535086757 /nfs/dbraw/zinc/08/67/57/535086757.db2.gz ISYBYWKVPFPOME-AWEZNQCLSA-N 1 3 238.419 3.029 10 0 BGAEHO CC[C@@]1(C)C[N@@H+](Cc2ccccc2)[C@@H](C)CCN1 ZINC000224414529 344916760 /nfs/dbraw/zinc/91/67/60/344916760.db2.gz ULWDMBACXKZKBB-HOCLYGCPSA-N 1 3 246.398 3.039 10 0 BGAEHO CC[C@@]1(C)C[N@H+](Cc2ccccc2)[C@@H](C)CCN1 ZINC000224414529 344916759 /nfs/dbraw/zinc/91/67/59/344916759.db2.gz ULWDMBACXKZKBB-HOCLYGCPSA-N 1 3 246.398 3.039 10 0 BGAEHO CC[C@@]1(C)CN(Cc2ccccc2)[C@@H](C)CC[NH2+]1 ZINC000224414529 344916755 /nfs/dbraw/zinc/91/67/55/344916755.db2.gz ULWDMBACXKZKBB-HOCLYGCPSA-N 1 3 246.398 3.039 10 0 BGAEHO CC[C@]1(C)C[N@@H+](Cc2ccccc2)[C@@H](C)CCN1 ZINC000224414585 344916831 /nfs/dbraw/zinc/91/68/31/344916831.db2.gz ULWDMBACXKZKBB-GOEBONIOSA-N 1 3 246.398 3.039 10 0 BGAEHO CC[C@]1(C)C[N@H+](Cc2ccccc2)[C@@H](C)CCN1 ZINC000224414585 344916829 /nfs/dbraw/zinc/91/68/29/344916829.db2.gz ULWDMBACXKZKBB-GOEBONIOSA-N 1 3 246.398 3.039 10 0 BGAEHO CC[C@]1(C)CN(Cc2ccccc2)[C@@H](C)CC[NH2+]1 ZINC000224414585 344916827 /nfs/dbraw/zinc/91/68/27/344916827.db2.gz ULWDMBACXKZKBB-GOEBONIOSA-N 1 3 246.398 3.039 10 0 BGAEHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CCC[C@@H](C)C1 ZINC000227732688 535063886 /nfs/dbraw/zinc/06/38/86/535063886.db2.gz OQAPYBHJWPKIOS-RBSFLKMASA-N 1 3 240.435 3.118 10 0 BGAEHO CC(C)[C@H](N)CC[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000227732688 535063881 /nfs/dbraw/zinc/06/38/81/535063881.db2.gz OQAPYBHJWPKIOS-RBSFLKMASA-N 1 3 240.435 3.118 10 0 BGAEHO CC(C)[C@H](N)CC[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000227732688 535063877 /nfs/dbraw/zinc/06/38/77/535063877.db2.gz OQAPYBHJWPKIOS-RBSFLKMASA-N 1 3 240.435 3.118 10 0 BGAEHO Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])c2ccccc2n1 ZINC000228267544 358372259 /nfs/dbraw/zinc/37/22/59/358372259.db2.gz GZUCKMAJVCBGSV-MNOVXSKESA-N 1 3 243.354 3.081 10 0 BGAEHO Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])c2ccccc2n1 ZINC000228267554 358372046 /nfs/dbraw/zinc/37/20/46/358372046.db2.gz GZUCKMAJVCBGSV-GHMZBOCLSA-N 1 3 243.354 3.081 10 0 BGAEHO Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])c2ccccc2n1 ZINC000228267564 358372138 /nfs/dbraw/zinc/37/21/38/358372138.db2.gz GZUCKMAJVCBGSV-QWRGUYRKSA-N 1 3 243.354 3.081 10 0 BGAEHO Cc1cc(N[C@H](C)C[C@H](C)[NH3+])c2ccccc2n1 ZINC000228267574 358372160 /nfs/dbraw/zinc/37/21/60/358372160.db2.gz GZUCKMAJVCBGSV-WDEREUQCSA-N 1 3 243.354 3.081 10 0 BGAEHO CC(C)N(C)CCC[NH2+]CC1CCC(C)CC1 ZINC000231329530 357612965 /nfs/dbraw/zinc/61/29/65/357612965.db2.gz PRKQWTBJBKAHLQ-UHFFFAOYSA-N 1 3 240.435 3.133 10 0 BGAEHO C[N@@H+](CCC1CCCCC1)[C@@H]1CCCNCC1 ZINC000231669507 353642072 /nfs/dbraw/zinc/64/20/72/353642072.db2.gz AVHFFMOUQNLLPA-OAHLLOKOSA-N 1 3 238.419 3.031 10 0 BGAEHO C[N@H+](CCC1CCCCC1)[C@@H]1CCCNCC1 ZINC000231669507 353642069 /nfs/dbraw/zinc/64/20/69/353642069.db2.gz AVHFFMOUQNLLPA-OAHLLOKOSA-N 1 3 238.419 3.031 10 0 BGAEHO C[N@@H+](CCC1CCCCC1)[C@H]1CCCNCC1 ZINC000231669510 353642578 /nfs/dbraw/zinc/64/25/78/353642578.db2.gz AVHFFMOUQNLLPA-HNNXBMFYSA-N 1 3 238.419 3.031 10 0 BGAEHO C[N@H+](CCC1CCCCC1)[C@H]1CCCNCC1 ZINC000231669510 353642576 /nfs/dbraw/zinc/64/25/76/353642576.db2.gz AVHFFMOUQNLLPA-HNNXBMFYSA-N 1 3 238.419 3.031 10 0 BGAEHO CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@@H](N)C2)cc1 ZINC000232744460 353757835 /nfs/dbraw/zinc/75/78/35/353757835.db2.gz JXALZDLFZLEEJS-WWGRRREGSA-N 1 3 246.398 3.150 10 0 BGAEHO CC(C)c1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H](N)C2)cc1 ZINC000232744460 353757832 /nfs/dbraw/zinc/75/78/32/353757832.db2.gz JXALZDLFZLEEJS-WWGRRREGSA-N 1 3 246.398 3.150 10 0 BGAEHO CCCC[N@H+]1CC[C@H](N2CCCCC2)C[C@H]1C ZINC000242723004 520597440 /nfs/dbraw/zinc/59/74/40/520597440.db2.gz YAXVUAODHRFQGW-CABCVRRESA-N 1 3 238.419 3.125 10 0 BGAEHO CCCC[N@@H+]1CC[C@H](N2CCCCC2)C[C@H]1C ZINC000242723004 520597433 /nfs/dbraw/zinc/59/74/33/520597433.db2.gz YAXVUAODHRFQGW-CABCVRRESA-N 1 3 238.419 3.125 10 0 BGAEHO CCCC[N@H+]1CC[C@@H](N2CCCCC2)C[C@H]1C ZINC000242723006 520596207 /nfs/dbraw/zinc/59/62/07/520596207.db2.gz YAXVUAODHRFQGW-HUUCEWRRSA-N 1 3 238.419 3.125 10 0 BGAEHO CCCC[N@@H+]1CC[C@@H](N2CCCCC2)C[C@H]1C ZINC000242723006 520596199 /nfs/dbraw/zinc/59/61/99/520596199.db2.gz YAXVUAODHRFQGW-HUUCEWRRSA-N 1 3 238.419 3.125 10 0 BGAEHO C[N@@H+](Cc1ccccc1)[C@H]1CCCCCC[C@H]1N ZINC000250148841 362789404 /nfs/dbraw/zinc/78/94/04/362789404.db2.gz AUKFMNHOJFJCOL-CVEARBPZSA-N 1 3 246.398 3.169 10 0 BGAEHO C[N@H+](Cc1ccccc1)[C@H]1CCCCCC[C@H]1N ZINC000250148841 362789401 /nfs/dbraw/zinc/78/94/01/362789401.db2.gz AUKFMNHOJFJCOL-CVEARBPZSA-N 1 3 246.398 3.169 10 0 BGAEHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCCCC[C@H]1N ZINC000250148844 362789492 /nfs/dbraw/zinc/78/94/92/362789492.db2.gz AUKFMNHOJFJCOL-HZPDHXFCSA-N 1 3 246.398 3.169 10 0 BGAEHO C[N@H+](Cc1ccccc1)[C@@H]1CCCCCC[C@H]1N ZINC000250148844 362789488 /nfs/dbraw/zinc/78/94/88/362789488.db2.gz AUKFMNHOJFJCOL-HZPDHXFCSA-N 1 3 246.398 3.169 10 0 BGAEHO CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CN ZINC000250828121 644782223 /nfs/dbraw/zinc/78/22/23/644782223.db2.gz OYKVFXZWSIHKOI-IHRRRGAJSA-N 1 3 226.408 3.062 10 0 BGAEHO CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN ZINC000250828123 644782166 /nfs/dbraw/zinc/78/21/66/644782166.db2.gz OYKVFXZWSIHKOI-MELADBBJSA-N 1 3 226.408 3.062 10 0 BGAEHO CCC[C@H]([NH2+][C@@H]1CCC[C@H]1CN)c1ccccc1 ZINC000251139531 135064833 /nfs/dbraw/zinc/06/48/33/135064833.db2.gz KZZJZNGVJROURF-HRCADAONSA-N 1 3 246.398 3.245 10 0 BGAEHO CCC[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000251139531 135064831 /nfs/dbraw/zinc/06/48/31/135064831.db2.gz KZZJZNGVJROURF-HRCADAONSA-N 1 3 246.398 3.245 10 0 BGAEHO CCC[C@H]([NH2+][C@H]1CCC[C@H]1CN)c1ccccc1 ZINC000251139536 135065298 /nfs/dbraw/zinc/06/52/98/135065298.db2.gz KZZJZNGVJROURF-JYJNAYRXSA-N 1 3 246.398 3.245 10 0 BGAEHO CCC[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000251139536 135065296 /nfs/dbraw/zinc/06/52/96/135065296.db2.gz KZZJZNGVJROURF-JYJNAYRXSA-N 1 3 246.398 3.245 10 0 BGAEHO CC[C@H]([NH2+][C@H](C)C[C@H]1CCCCCN1)C(C)C ZINC000251267890 388746434 /nfs/dbraw/zinc/74/64/34/388746434.db2.gz MEVANHWKROMFSR-KFWWJZLASA-N 1 3 240.435 3.321 10 0 BGAEHO CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCCN1)C(C)C ZINC000251267893 388746539 /nfs/dbraw/zinc/74/65/39/388746539.db2.gz MEVANHWKROMFSR-ZNMIVQPWSA-N 1 3 240.435 3.321 10 0 BGAEHO CC[C@H]([NH2+][C@H]1CCC[C@H]1CN)C1CCCCC1 ZINC000251364223 635547435 /nfs/dbraw/zinc/54/74/35/635547435.db2.gz PMHLSUKMTHRHMV-KKUMJFAQSA-N 1 3 238.419 3.062 10 0 BGAEHO CC[C@H]([NH2+][C@@H]1CCC[C@H]1CN)C1CCCCC1 ZINC000251364224 643801036 /nfs/dbraw/zinc/80/10/36/643801036.db2.gz PMHLSUKMTHRHMV-SOUVJXGZSA-N 1 3 238.419 3.062 10 0 BGAEHO C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@H]2CCN)C1 ZINC000251870636 135080199 /nfs/dbraw/zinc/08/01/99/135080199.db2.gz QNCKZXIMMJZWEF-ILXRZTDVSA-N 1 3 238.419 3.016 10 0 BGAEHO C[C@@H]1CCC[C@H](C[N@@H+]2CCCC[C@H]2CCN)C1 ZINC000251870636 135080197 /nfs/dbraw/zinc/08/01/97/135080197.db2.gz QNCKZXIMMJZWEF-ILXRZTDVSA-N 1 3 238.419 3.016 10 0 BGAEHO C[C@@H]1CCC[C@@H](C[N@H+]2CCCC[C@H]2CCN)C1 ZINC000251870638 135080102 /nfs/dbraw/zinc/08/01/02/135080102.db2.gz QNCKZXIMMJZWEF-KFWWJZLASA-N 1 3 238.419 3.016 10 0 BGAEHO C[C@@H]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2CCN)C1 ZINC000251870638 135080101 /nfs/dbraw/zinc/08/01/01/135080101.db2.gz QNCKZXIMMJZWEF-KFWWJZLASA-N 1 3 238.419 3.016 10 0 BGAEHO CCCN1CC[C@@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC000252475019 519862427 /nfs/dbraw/zinc/86/24/27/519862427.db2.gz QQDMGWDUOJOHSH-GDBMZVCRSA-N 1 3 246.398 3.039 10 0 BGAEHO CCCN1CC[C@H]([NH2+]Cc2ccccc2)C[C@H]1C ZINC000252475020 519864035 /nfs/dbraw/zinc/86/40/35/519864035.db2.gz QQDMGWDUOJOHSH-ZBFHGGJFSA-N 1 3 246.398 3.039 10 0 BGAEHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CCC[C@@H](C)C1 ZINC000252688541 535063960 /nfs/dbraw/zinc/06/39/60/535063960.db2.gz OQAPYBHJWPKIOS-QLFBSQMISA-N 1 3 240.435 3.118 10 0 BGAEHO CC(C)[C@H](N)CC[N@@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000252688541 535063957 /nfs/dbraw/zinc/06/39/57/535063957.db2.gz OQAPYBHJWPKIOS-QLFBSQMISA-N 1 3 240.435 3.118 10 0 BGAEHO CC(C)[C@H](N)CC[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000252688541 535063953 /nfs/dbraw/zinc/06/39/53/535063953.db2.gz OQAPYBHJWPKIOS-QLFBSQMISA-N 1 3 240.435 3.118 10 0 BGAEHO CCC[C@@H]1C[C@@H]1N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000261539954 135178410 /nfs/dbraw/zinc/17/84/10/135178410.db2.gz CSXXRBSFVXNGSA-KBXIAJHMSA-N 1 3 238.419 3.075 10 0 BGAEHO CCC[C@@H]1C[C@@H]1N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261539955 135178764 /nfs/dbraw/zinc/17/87/64/135178764.db2.gz CSXXRBSFVXNGSA-TUVASFSCSA-N 1 3 238.419 3.075 10 0 BGAEHO CCC[C@@H]1C[C@@H]1N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000261539956 135178635 /nfs/dbraw/zinc/17/86/35/135178635.db2.gz CSXXRBSFVXNGSA-XGUBFFRZSA-N 1 3 238.419 3.075 10 0 BGAEHO CCC[C@@H]1C[C@@H]1N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261539957 135178748 /nfs/dbraw/zinc/17/87/48/135178748.db2.gz CSXXRBSFVXNGSA-YJNKXOJESA-N 1 3 238.419 3.075 10 0 BGAEHO CC1(C)CN(CCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000261546202 135238434 /nfs/dbraw/zinc/23/84/34/135238434.db2.gz GQDLYCBCJYZIAR-AWEZNQCLSA-N 1 3 238.419 3.016 10 0 BGAEHO CC1(C)C[N@@H+](CCC2CCCCC2)CC[C@@H]1N ZINC000261546202 135238432 /nfs/dbraw/zinc/23/84/32/135238432.db2.gz GQDLYCBCJYZIAR-AWEZNQCLSA-N 1 3 238.419 3.016 10 0 BGAEHO CC1(C)C[N@H+](CCC2CCCCC2)CC[C@@H]1N ZINC000261546202 135238430 /nfs/dbraw/zinc/23/84/30/135238430.db2.gz GQDLYCBCJYZIAR-AWEZNQCLSA-N 1 3 238.419 3.016 10 0 BGAEHO CC1(C)CN(CCC2CCCCC2)CC[C@H]1[NH3+] ZINC000261546203 135238504 /nfs/dbraw/zinc/23/85/04/135238504.db2.gz GQDLYCBCJYZIAR-CQSZACIVSA-N 1 3 238.419 3.016 10 0 BGAEHO CC1(C)C[N@@H+](CCC2CCCCC2)CC[C@H]1N ZINC000261546203 135238502 /nfs/dbraw/zinc/23/85/02/135238502.db2.gz GQDLYCBCJYZIAR-CQSZACIVSA-N 1 3 238.419 3.016 10 0 BGAEHO CC1(C)C[N@H+](CCC2CCCCC2)CC[C@H]1N ZINC000261546203 135238501 /nfs/dbraw/zinc/23/85/01/135238501.db2.gz GQDLYCBCJYZIAR-CQSZACIVSA-N 1 3 238.419 3.016 10 0 BGAEHO CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@H](N)C2)cc1 ZINC000261549760 535374356 /nfs/dbraw/zinc/37/43/56/535374356.db2.gz JXALZDLFZLEEJS-DVOMOZLQSA-N 1 3 246.398 3.150 10 0 BGAEHO CC(C)c1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](N)C2)cc1 ZINC000261549760 535374355 /nfs/dbraw/zinc/37/43/55/535374355.db2.gz JXALZDLFZLEEJS-DVOMOZLQSA-N 1 3 246.398 3.150 10 0 BGAEHO CC(C)c1ccc([C@H](C)[N@H+]2C[C@H](C)[C@H](N)C2)cc1 ZINC000261549761 535374251 /nfs/dbraw/zinc/37/42/51/535374251.db2.gz JXALZDLFZLEEJS-HEHGZKQESA-N 1 3 246.398 3.150 10 0 BGAEHO CC(C)c1ccc([C@H](C)[N@@H+]2C[C@H](C)[C@H](N)C2)cc1 ZINC000261549761 535374250 /nfs/dbraw/zinc/37/42/50/535374250.db2.gz JXALZDLFZLEEJS-HEHGZKQESA-N 1 3 246.398 3.150 10 0 BGAEHO CC(C)c1ccc([C@H](C)[N@@H+]2C[C@H](N)[C@@H](C)C2)cc1 ZINC000261549762 535374364 /nfs/dbraw/zinc/37/43/64/535374364.db2.gz JXALZDLFZLEEJS-XEZPLFJOSA-N 1 3 246.398 3.150 10 0 BGAEHO CC(C)c1ccc([C@H](C)[N@H+]2C[C@H](N)[C@@H](C)C2)cc1 ZINC000261549762 535374363 /nfs/dbraw/zinc/37/43/63/535374363.db2.gz JXALZDLFZLEEJS-XEZPLFJOSA-N 1 3 246.398 3.150 10 0 BGAEHO CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N)C(C)(C)C1 ZINC000261570198 536063931 /nfs/dbraw/zinc/06/39/31/536063931.db2.gz KETWXXNINMKFNH-CABCVRRESA-N 1 3 246.398 3.197 10 0 BGAEHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](N)C(C)(C)C1 ZINC000261570198 536063925 /nfs/dbraw/zinc/06/39/25/536063925.db2.gz KETWXXNINMKFNH-CABCVRRESA-N 1 3 246.398 3.197 10 0 BGAEHO CC[C@H](c1ccccc1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261570198 536063917 /nfs/dbraw/zinc/06/39/17/536063917.db2.gz KETWXXNINMKFNH-CABCVRRESA-N 1 3 246.398 3.197 10 0 BGAEHO CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](N)C(C)(C)C1 ZINC000261570199 135212001 /nfs/dbraw/zinc/21/20/01/135212001.db2.gz KETWXXNINMKFNH-GJZGRUSLSA-N 1 3 246.398 3.197 10 0 BGAEHO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N)C(C)(C)C1 ZINC000261570199 135211999 /nfs/dbraw/zinc/21/19/99/135211999.db2.gz KETWXXNINMKFNH-GJZGRUSLSA-N 1 3 246.398 3.197 10 0 BGAEHO CC[C@@H](c1ccccc1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261570199 135211998 /nfs/dbraw/zinc/21/19/98/135211998.db2.gz KETWXXNINMKFNH-GJZGRUSLSA-N 1 3 246.398 3.197 10 0 BGAEHO CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000261570201 536063479 /nfs/dbraw/zinc/06/34/79/536063479.db2.gz KETWXXNINMKFNH-HUUCEWRRSA-N 1 3 246.398 3.197 10 0 BGAEHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000261570201 536063476 /nfs/dbraw/zinc/06/34/76/536063476.db2.gz KETWXXNINMKFNH-HUUCEWRRSA-N 1 3 246.398 3.197 10 0 BGAEHO CC[C@H](c1ccccc1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261570201 536063473 /nfs/dbraw/zinc/06/34/73/536063473.db2.gz KETWXXNINMKFNH-HUUCEWRRSA-N 1 3 246.398 3.197 10 0 BGAEHO CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000261570204 135212146 /nfs/dbraw/zinc/21/21/46/135212146.db2.gz KETWXXNINMKFNH-LSDHHAIUSA-N 1 3 246.398 3.197 10 0 BGAEHO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000261570204 135212144 /nfs/dbraw/zinc/21/21/44/135212144.db2.gz KETWXXNINMKFNH-LSDHHAIUSA-N 1 3 246.398 3.197 10 0 BGAEHO CC[C@@H](c1ccccc1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261570204 135212143 /nfs/dbraw/zinc/21/21/43/135212143.db2.gz KETWXXNINMKFNH-LSDHHAIUSA-N 1 3 246.398 3.197 10 0 BGAEHO Cc1cccc([C@H](C)[N@H+]2CC[C@@H](N)C(C)(C)C2)c1 ZINC000261579967 135220365 /nfs/dbraw/zinc/22/03/65/135220365.db2.gz PTRDMUNXOLHRPY-DZGCQCFKSA-N 1 3 246.398 3.115 10 0 BGAEHO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](N)C(C)(C)C2)c1 ZINC000261579967 135220363 /nfs/dbraw/zinc/22/03/63/135220363.db2.gz PTRDMUNXOLHRPY-DZGCQCFKSA-N 1 3 246.398 3.115 10 0 BGAEHO Cc1cccc([C@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261579967 135220361 /nfs/dbraw/zinc/22/03/61/135220361.db2.gz PTRDMUNXOLHRPY-DZGCQCFKSA-N 1 3 246.398 3.115 10 0 BGAEHO Cc1cccc([C@@H](C)[N@H+]2CC[C@H](N)C(C)(C)C2)c1 ZINC000261579968 135220738 /nfs/dbraw/zinc/22/07/38/135220738.db2.gz PTRDMUNXOLHRPY-HIFRSBDPSA-N 1 3 246.398 3.115 10 0 BGAEHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](N)C(C)(C)C2)c1 ZINC000261579968 135220736 /nfs/dbraw/zinc/22/07/36/135220736.db2.gz PTRDMUNXOLHRPY-HIFRSBDPSA-N 1 3 246.398 3.115 10 0 BGAEHO Cc1cccc([C@@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261579968 135220734 /nfs/dbraw/zinc/22/07/34/135220734.db2.gz PTRDMUNXOLHRPY-HIFRSBDPSA-N 1 3 246.398 3.115 10 0 BGAEHO Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](N)C(C)(C)C2)c1 ZINC000261579969 135220504 /nfs/dbraw/zinc/22/05/04/135220504.db2.gz PTRDMUNXOLHRPY-UKRRQHHQSA-N 1 3 246.398 3.115 10 0 BGAEHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](N)C(C)(C)C2)c1 ZINC000261579969 135220503 /nfs/dbraw/zinc/22/05/03/135220503.db2.gz PTRDMUNXOLHRPY-UKRRQHHQSA-N 1 3 246.398 3.115 10 0 BGAEHO Cc1cccc([C@@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261579969 135220501 /nfs/dbraw/zinc/22/05/01/135220501.db2.gz PTRDMUNXOLHRPY-UKRRQHHQSA-N 1 3 246.398 3.115 10 0 BGAEHO Cc1cccc([C@H](C)[N@H+]2CC[C@H](N)C(C)(C)C2)c1 ZINC000261579970 135220319 /nfs/dbraw/zinc/22/03/19/135220319.db2.gz PTRDMUNXOLHRPY-ZFWWWQNUSA-N 1 3 246.398 3.115 10 0 BGAEHO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](N)C(C)(C)C2)c1 ZINC000261579970 135220316 /nfs/dbraw/zinc/22/03/16/135220316.db2.gz PTRDMUNXOLHRPY-ZFWWWQNUSA-N 1 3 246.398 3.115 10 0 BGAEHO Cc1cccc([C@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261579970 135220315 /nfs/dbraw/zinc/22/03/15/135220315.db2.gz PTRDMUNXOLHRPY-ZFWWWQNUSA-N 1 3 246.398 3.115 10 0 BGAEHO CC[C@@H]([NH2+]CCCN(CC)CC)C(C)(C)C ZINC000310023054 388473950 /nfs/dbraw/zinc/47/39/50/388473950.db2.gz OFJRCWBFXSPBTN-CYBMUJFWSA-N 1 3 228.424 3.133 10 0 BGAEHO CC[C@H]([NH2+]CCCN(CC)CC)C(C)(C)C ZINC000310023055 529597738 /nfs/dbraw/zinc/59/77/38/529597738.db2.gz OFJRCWBFXSPBTN-ZDUSSCGKSA-N 1 3 228.424 3.133 10 0 BGAEHO C[C@H](CCCC[NH3+])Nc1ccnc2ccccc21 ZINC000311041080 385294892 /nfs/dbraw/zinc/29/48/92/385294892.db2.gz VHQVUPJKFWFKET-GFCCVEGCSA-N 1 3 243.354 3.164 10 0 BGAEHO C[C@@H](CCCC[NH3+])Nc1ccnc2ccccc21 ZINC000311041778 385294469 /nfs/dbraw/zinc/29/44/69/385294469.db2.gz VHQVUPJKFWFKET-LBPRGKRZSA-N 1 3 243.354 3.164 10 0 BGAEHO CC[C@@H]([NH2+]CCCN(C)C(C)C)C(C)(C)C ZINC000381311670 367380080 /nfs/dbraw/zinc/38/00/80/367380080.db2.gz AJOUUQDBDROXFS-CYBMUJFWSA-N 1 3 228.424 3.131 10 0 BGAEHO CC[C@H]([NH2+]CCCN(C)C(C)C)C(C)(C)C ZINC000381311672 367379731 /nfs/dbraw/zinc/37/97/31/367379731.db2.gz AJOUUQDBDROXFS-ZDUSSCGKSA-N 1 3 228.424 3.131 10 0 BGAEHO CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000385713230 367857352 /nfs/dbraw/zinc/85/73/52/367857352.db2.gz HWXGLPHUELVQPG-FVQBIDKESA-N 1 3 246.398 3.054 10 0 BGAEHO CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000385713230 367857348 /nfs/dbraw/zinc/85/73/48/367857348.db2.gz HWXGLPHUELVQPG-FVQBIDKESA-N 1 3 246.398 3.054 10 0 BGAEHO CC[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000400494429 529666387 /nfs/dbraw/zinc/66/63/87/529666387.db2.gz APFYWSKRPFYCOH-BMFZPTHFSA-N 1 3 246.398 3.034 10 0 BGAEHO CC[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000400494431 529651164 /nfs/dbraw/zinc/65/11/64/529651164.db2.gz APFYWSKRPFYCOH-BPUTZDHNSA-N 1 3 246.398 3.034 10 0 BGAEHO CC[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000400494433 529651385 /nfs/dbraw/zinc/65/13/85/529651385.db2.gz APFYWSKRPFYCOH-IMJJTQAJSA-N 1 3 246.398 3.034 10 0 BGAEHO CC[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000400494434 529666520 /nfs/dbraw/zinc/66/65/20/529666520.db2.gz APFYWSKRPFYCOH-KBMXLJTQSA-N 1 3 246.398 3.034 10 0 BGAEHO CCC[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400495114 528238980 /nfs/dbraw/zinc/23/89/80/528238980.db2.gz ASUDEKQOEHVZCG-BMFZPTHFSA-N 1 3 246.398 3.115 10 0 BGAEHO CCC[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400495117 528234438 /nfs/dbraw/zinc/23/44/38/528234438.db2.gz ASUDEKQOEHVZCG-BPUTZDHNSA-N 1 3 246.398 3.115 10 0 BGAEHO CCC[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400495119 528234478 /nfs/dbraw/zinc/23/44/78/528234478.db2.gz ASUDEKQOEHVZCG-IMJJTQAJSA-N 1 3 246.398 3.115 10 0 BGAEHO CCC[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400495121 528239493 /nfs/dbraw/zinc/23/94/93/528239493.db2.gz ASUDEKQOEHVZCG-KBMXLJTQSA-N 1 3 246.398 3.115 10 0 BGAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)CC(C)(C)C1 ZINC000414935620 487831262 /nfs/dbraw/zinc/83/12/62/487831262.db2.gz YTVVHHPXBXCXMX-MQYQWHSLSA-N 1 3 238.419 3.061 10 0 BGAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N)C2)CC(C)(C)C1 ZINC000414935623 487831447 /nfs/dbraw/zinc/83/14/47/487831447.db2.gz YTVVHHPXBXCXMX-RFGFWPKPSA-N 1 3 238.419 3.061 10 0 BGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)CC(C)(C)C1 ZINC000414935627 487831136 /nfs/dbraw/zinc/83/11/36/487831136.db2.gz YTVVHHPXBXCXMX-RQJABVFESA-N 1 3 238.419 3.061 10 0 BGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)CC(C)(C)C1 ZINC000414935630 487831149 /nfs/dbraw/zinc/83/11/49/487831149.db2.gz YTVVHHPXBXCXMX-SYQHCUMBSA-N 1 3 238.419 3.061 10 0 BGAEHO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CCCNCC1 ZINC000423082401 387879014 /nfs/dbraw/zinc/87/90/14/387879014.db2.gz FDKFIMHDQDXHDU-DZGCQCFKSA-N 1 3 238.419 3.077 10 0 BGAEHO C[C@@H](CC1CCCCC1)[NH2+][C@H]1CCCNCC1 ZINC000423082402 387878222 /nfs/dbraw/zinc/87/82/22/387878222.db2.gz FDKFIMHDQDXHDU-ZFWWWQNUSA-N 1 3 238.419 3.077 10 0 BGAEHO C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@H]1CCCNC1 ZINC000514596064 387007483 /nfs/dbraw/zinc/00/74/83/387007483.db2.gz DZDPDZOQLBUWBK-CHWSQXEVSA-N 1 3 240.435 3.036 10 0 BGAEHO C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)[C@H]1CCCNC1 ZINC000514596075 256680555 /nfs/dbraw/zinc/68/05/55/256680555.db2.gz DZDPDZOQLBUWBK-OLZOCXBDSA-N 1 3 240.435 3.036 10 0 BGAEHO C[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@@H]1CCCNC1 ZINC000514596077 387007779 /nfs/dbraw/zinc/00/77/79/387007779.db2.gz DZDPDZOQLBUWBK-QWHCGFSZSA-N 1 3 240.435 3.036 10 0 BGAEHO C[C@H]([NH2+]CC(C)(C)C(C)(C)C)[C@H]1CCCNC1 ZINC000514596079 387007586 /nfs/dbraw/zinc/00/75/86/387007586.db2.gz DZDPDZOQLBUWBK-STQMWFEESA-N 1 3 240.435 3.036 10 0 BGAEHO CCC(CC)(CC)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000517229910 388543988 /nfs/dbraw/zinc/54/39/88/388543988.db2.gz INDVWMPXLHLPLJ-KBPBESRZSA-N 1 3 240.435 3.181 10 0 BGAEHO CCC(CC)(CC)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000517229911 388543352 /nfs/dbraw/zinc/54/33/52/388543352.db2.gz INDVWMPXLHLPLJ-KGLIPLIRSA-N 1 3 240.435 3.181 10 0 BGAEHO CCC(CC)(CC)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000517229912 388543366 /nfs/dbraw/zinc/54/33/66/388543366.db2.gz INDVWMPXLHLPLJ-UONOGXRCSA-N 1 3 240.435 3.181 10 0 BGAEHO CCC(CC)(CC)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000517229913 388543486 /nfs/dbraw/zinc/54/34/86/388543486.db2.gz INDVWMPXLHLPLJ-ZIAGYGMSSA-N 1 3 240.435 3.181 10 0 BGAEHO CC(C)CC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000567647755 326238234 /nfs/dbraw/zinc/23/82/34/326238234.db2.gz VLSUCNFCMSTIQY-KBPBESRZSA-N 1 3 240.435 3.036 10 0 BGAEHO CC(C)CC(C)(C)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000567647756 326238159 /nfs/dbraw/zinc/23/81/59/326238159.db2.gz VLSUCNFCMSTIQY-KGLIPLIRSA-N 1 3 240.435 3.036 10 0 BGAEHO CC(C)CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000567647757 326237879 /nfs/dbraw/zinc/23/78/79/326237879.db2.gz VLSUCNFCMSTIQY-UONOGXRCSA-N 1 3 240.435 3.036 10 0 BGAEHO CC(C)CC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000567647758 326238851 /nfs/dbraw/zinc/23/88/51/326238851.db2.gz VLSUCNFCMSTIQY-ZIAGYGMSSA-N 1 3 240.435 3.036 10 0 BGAEHO CCCC[C@H](CC)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000578348038 366531158 /nfs/dbraw/zinc/53/11/58/366531158.db2.gz CCKLHEOWWVCWSZ-ILXRZTDVSA-N 1 3 240.435 3.181 10 0 BGAEHO CCCC[C@H](CC)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000578348039 366532085 /nfs/dbraw/zinc/53/20/85/366532085.db2.gz CCKLHEOWWVCWSZ-KKUMJFAQSA-N 1 3 240.435 3.181 10 0 BGAEHO CCCC[C@H](CC)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000578348040 366530409 /nfs/dbraw/zinc/53/04/09/366530409.db2.gz CCKLHEOWWVCWSZ-QLFBSQMISA-N 1 3 240.435 3.181 10 0 BGAEHO CCCC[C@H](CC)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000578348041 366531081 /nfs/dbraw/zinc/53/10/81/366531081.db2.gz CCKLHEOWWVCWSZ-SOUVJXGZSA-N 1 3 240.435 3.181 10 0 BGAEHO CCCCNCC[C@@H]1CCCC[N@H+]1CCCC ZINC000584627087 358296673 /nfs/dbraw/zinc/29/66/73/358296673.db2.gz GQZUEXFCJYJPKI-HNNXBMFYSA-N 1 3 240.435 3.421 10 0 BGAEHO CCCCNCC[C@@H]1CCCC[N@@H+]1CCCC ZINC000584627087 358296672 /nfs/dbraw/zinc/29/66/72/358296672.db2.gz GQZUEXFCJYJPKI-HNNXBMFYSA-N 1 3 240.435 3.421 10 0 BGAEHO CCCC[NH2+]CC[C@@H]1CCCCN1CCCC ZINC000584627087 358296671 /nfs/dbraw/zinc/29/66/71/358296671.db2.gz GQZUEXFCJYJPKI-HNNXBMFYSA-N 1 3 240.435 3.421 10 0 BGAEHO CCCCNCC[C@H]1CCCC[N@H+]1CCCC ZINC000584627098 358296681 /nfs/dbraw/zinc/29/66/81/358296681.db2.gz GQZUEXFCJYJPKI-OAHLLOKOSA-N 1 3 240.435 3.421 10 0 BGAEHO CCCCNCC[C@H]1CCCC[N@@H+]1CCCC ZINC000584627098 358296680 /nfs/dbraw/zinc/29/66/80/358296680.db2.gz GQZUEXFCJYJPKI-OAHLLOKOSA-N 1 3 240.435 3.421 10 0 BGAEHO CCCC[NH2+]CC[C@H]1CCCCN1CCCC ZINC000584627098 358296678 /nfs/dbraw/zinc/29/66/78/358296678.db2.gz GQZUEXFCJYJPKI-OAHLLOKOSA-N 1 3 240.435 3.421 10 0 BGAEHO CC(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(C)(C)C ZINC000616575307 344190610 /nfs/dbraw/zinc/19/06/10/344190610.db2.gz BRXDVGFEIZGOKY-AGUYFDCRSA-N 1 3 238.419 3.026 10 0 BGAEHO Cc1ccccc1[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000635001482 345201328 /nfs/dbraw/zinc/20/13/28/345201328.db2.gz BQDVHHPCQIYRIB-KFWWJZLASA-N 1 3 246.398 3.034 10 0 BGAEHO Cc1ccccc1[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000635001483 345201371 /nfs/dbraw/zinc/20/13/71/345201371.db2.gz BQDVHHPCQIYRIB-RBSFLKMASA-N 1 3 246.398 3.034 10 0 BGAEHO Cc1ccccc1[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000635001484 345201333 /nfs/dbraw/zinc/20/13/33/345201333.db2.gz BQDVHHPCQIYRIB-RRFJBIMHSA-N 1 3 246.398 3.034 10 0 BGAEHO Cc1ccccc1[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000635001485 345201408 /nfs/dbraw/zinc/20/14/08/345201408.db2.gz BQDVHHPCQIYRIB-ZNMIVQPWSA-N 1 3 246.398 3.034 10 0 BGAEHO CCC(C)(C)C1CCC2(CC1)[C@H](N)CC[N@H+]2C ZINC000711977637 537784728 /nfs/dbraw/zinc/78/47/28/537784728.db2.gz QCBMGRIMHMIDRV-JVWICGRDSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC(C)(C)C1CCC2(CC1)[C@H](N)CC[N@@H+]2C ZINC000711977637 537784720 /nfs/dbraw/zinc/78/47/20/537784720.db2.gz QCBMGRIMHMIDRV-JVWICGRDSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC(C)(C)C1CCC2(CC1)[C@@H](N)CC[N@H+]2C ZINC000711977638 537784839 /nfs/dbraw/zinc/78/48/39/537784839.db2.gz QCBMGRIMHMIDRV-OWYJLGKBSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC(C)(C)C1CCC2(CC1)[C@@H](N)CC[N@@H+]2C ZINC000711977638 537784832 /nfs/dbraw/zinc/78/48/32/537784832.db2.gz QCBMGRIMHMIDRV-OWYJLGKBSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC[C@@H](C1CCC1)[NH+]1CCC(N)(CC)CC1 ZINC000714752519 712497085 /nfs/dbraw/zinc/49/70/85/712497085.db2.gz APQXMRHKQXEKBR-AWEZNQCLSA-N 1 3 238.419 3.159 10 0 BGAEHO CCC[C@H](C1CCC1)[NH+]1CCC(N)(CC)CC1 ZINC000714752520 712497417 /nfs/dbraw/zinc/49/74/17/712497417.db2.gz APQXMRHKQXEKBR-CQSZACIVSA-N 1 3 238.419 3.159 10 0 BGAEHO CCC1(N)CC[NH+]([C@@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000714752919 712497129 /nfs/dbraw/zinc/49/71/29/712497129.db2.gz FMHQOKGVZYDOGL-CHWSQXEVSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC1(N)CC[NH+]([C@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000714752920 712497356 /nfs/dbraw/zinc/49/73/56/712497356.db2.gz FMHQOKGVZYDOGL-OLZOCXBDSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC1(N)CC[NH+]([C@@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000714752921 712497173 /nfs/dbraw/zinc/49/71/73/712497173.db2.gz FMHQOKGVZYDOGL-QWHCGFSZSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC1(N)CC[NH+]([C@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000714752922 712497329 /nfs/dbraw/zinc/49/73/29/712497329.db2.gz FMHQOKGVZYDOGL-STQMWFEESA-N 1 3 238.419 3.014 10 0 BGAEHO CCC1(N)CC[NH+]([C@@H]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000714753615 712497203 /nfs/dbraw/zinc/49/72/03/712497203.db2.gz LQXBZLAHEXOPJG-BFHYXJOUSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC1(N)CC[NH+]([C@@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000714753616 712497282 /nfs/dbraw/zinc/49/72/82/712497282.db2.gz LQXBZLAHEXOPJG-HZSPNIEDSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC1(N)CC[NH+]([C@@H]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000714753617 712497138 /nfs/dbraw/zinc/49/71/38/712497138.db2.gz LQXBZLAHEXOPJG-MELADBBJSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC1(N)CC[NH+]([C@@H]2C[C@H](C)CC[C@H]2C)CC1 ZINC000714753618 712497618 /nfs/dbraw/zinc/49/76/18/712497618.db2.gz LQXBZLAHEXOPJG-MGPQQGTHSA-N 1 3 238.419 3.014 10 0 BGAEHO CC[C@H]1CCCC[C@@H]1[NH+]1CCC(N)(CC)CC1 ZINC000714753820 712498006 /nfs/dbraw/zinc/49/80/06/712498006.db2.gz HZXQEYLJQFOOGM-KBPBESRZSA-N 1 3 238.419 3.159 10 0 BGAEHO CC[C@@H]1CCCC[C@@H]1[NH+]1CCC(N)(CC)CC1 ZINC000714753821 712497563 /nfs/dbraw/zinc/49/75/63/712497563.db2.gz HZXQEYLJQFOOGM-KGLIPLIRSA-N 1 3 238.419 3.159 10 0 BGAEHO CC[C@H]1CCCC[C@H]1[NH+]1CCC(N)(CC)CC1 ZINC000714753822 712497630 /nfs/dbraw/zinc/49/76/30/712497630.db2.gz HZXQEYLJQFOOGM-UONOGXRCSA-N 1 3 238.419 3.159 10 0 BGAEHO CC[C@@H]1CCCC[C@H]1[NH+]1CCC(N)(CC)CC1 ZINC000714753823 712497740 /nfs/dbraw/zinc/49/77/40/712497740.db2.gz HZXQEYLJQFOOGM-ZIAGYGMSSA-N 1 3 238.419 3.159 10 0 BGAEHO CCCC(CCC)[NH+]1CCC(N)(CC)CC1 ZINC000714754504 712497585 /nfs/dbraw/zinc/49/75/85/712497585.db2.gz VLPYFSGWUBVARU-UHFFFAOYSA-N 1 3 226.408 3.159 10 0 BGAEHO CCC1(N)CC[NH+](C2[C@H](C)CCC[C@H]2C)CC1 ZINC000714754856 712497723 /nfs/dbraw/zinc/49/77/23/712497723.db2.gz YNQVASJKQBXZJN-CHWSQXEVSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC1(N)CC[NH+](C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000714754858 712497708 /nfs/dbraw/zinc/49/77/08/712497708.db2.gz YNQVASJKQBXZJN-STQMWFEESA-N 1 3 238.419 3.014 10 0 BGAEHO CCC1(N)CC[NH+]([C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000714754860 712497597 /nfs/dbraw/zinc/49/75/97/712497597.db2.gz YNQVASJKQBXZJN-WDNDVIMCSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC1([NH3+])CCN([C@@H](C)c2cccc(C)c2)CC1 ZINC000714756929 712497609 /nfs/dbraw/zinc/49/76/09/712497609.db2.gz HITBFSNNXLYTME-AWEZNQCLSA-N 1 3 246.398 3.259 10 0 BGAEHO CCC1([NH3+])CCN([C@H](C)c2cccc(C)c2)CC1 ZINC000714756937 712497878 /nfs/dbraw/zinc/49/78/78/712497878.db2.gz HITBFSNNXLYTME-CQSZACIVSA-N 1 3 246.398 3.259 10 0 BGAEHO CCC1(N)CC[NH+]([C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000714757229 712497758 /nfs/dbraw/zinc/49/77/58/712497758.db2.gz HJAZQHSMXKRFAI-BFHYXJOUSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC1(N)CC[NH+]([C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000714757230 712497665 /nfs/dbraw/zinc/49/76/65/712497665.db2.gz HJAZQHSMXKRFAI-HZSPNIEDSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC1(N)CC[NH+]([C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000714757231 712497737 /nfs/dbraw/zinc/49/77/37/712497737.db2.gz HJAZQHSMXKRFAI-MELADBBJSA-N 1 3 238.419 3.014 10 0 BGAEHO CCC1(N)CC[NH+]([C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000714757232 712497656 /nfs/dbraw/zinc/49/76/56/712497656.db2.gz HJAZQHSMXKRFAI-MGPQQGTHSA-N 1 3 238.419 3.014 10 0 BGAEHO CC[C@@H](c1ccccc1)N1CCC([NH3+])(CC)CC1 ZINC000714757461 712497691 /nfs/dbraw/zinc/49/76/91/712497691.db2.gz IWCQAUHDSQYWHV-HNNXBMFYSA-N 1 3 246.398 3.341 10 0 BGAEHO CC[C@H](c1ccccc1)N1CCC([NH3+])(CC)CC1 ZINC000714757464 712497885 /nfs/dbraw/zinc/49/78/85/712497885.db2.gz IWCQAUHDSQYWHV-OAHLLOKOSA-N 1 3 246.398 3.341 10 0 BGAEHO CCC1([NH3+])CCN([C@@H](C)c2ccc(C)cc2)CC1 ZINC000714758467 712497606 /nfs/dbraw/zinc/49/76/06/712497606.db2.gz OBADNKQWQVIGPS-AWEZNQCLSA-N 1 3 246.398 3.259 10 0 BGAEHO CCC1([NH3+])CCN([C@H](C)c2ccc(C)cc2)CC1 ZINC000714758470 712497850 /nfs/dbraw/zinc/49/78/50/712497850.db2.gz OBADNKQWQVIGPS-CQSZACIVSA-N 1 3 246.398 3.259 10 0 BGAEHO CCC1([NH3+])CCN([C@@H](C)c2ccccc2C)CC1 ZINC000714758960 712497567 /nfs/dbraw/zinc/49/75/67/712497567.db2.gz PWVLXYRSILESLC-AWEZNQCLSA-N 1 3 246.398 3.259 10 0 BGAEHO CCC1([NH3+])CCN([C@H](C)c2ccccc2C)CC1 ZINC000714758965 712497965 /nfs/dbraw/zinc/49/79/65/712497965.db2.gz PWVLXYRSILESLC-CQSZACIVSA-N 1 3 246.398 3.259 10 0 BGAEHO CC[C@@H](C1CCCC1)[NH+]1CCC(N)(CC)CC1 ZINC000714760019 712498194 /nfs/dbraw/zinc/49/81/94/712498194.db2.gz YZORELIMHVJORO-AWEZNQCLSA-N 1 3 238.419 3.159 10 0 BGAEHO CC[C@H](C1CCCC1)[NH+]1CCC(N)(CC)CC1 ZINC000714760020 712498325 /nfs/dbraw/zinc/49/83/25/712498325.db2.gz YZORELIMHVJORO-CQSZACIVSA-N 1 3 238.419 3.159 10 0 BGAEHO CCCCCC[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757130941 582504867 /nfs/dbraw/zinc/50/48/67/582504867.db2.gz OSHMVTBMBAMUJA-CABCVRRESA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757130941 582504866 /nfs/dbraw/zinc/50/48/66/582504866.db2.gz OSHMVTBMBAMUJA-CABCVRRESA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757130960 582504977 /nfs/dbraw/zinc/50/49/77/582504977.db2.gz OSHMVTBMBAMUJA-GJZGRUSLSA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757130960 582504975 /nfs/dbraw/zinc/50/49/75/582504975.db2.gz OSHMVTBMBAMUJA-GJZGRUSLSA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757130973 582504947 /nfs/dbraw/zinc/50/49/47/582504947.db2.gz OSHMVTBMBAMUJA-HUUCEWRRSA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757130973 582504945 /nfs/dbraw/zinc/50/49/45/582504945.db2.gz OSHMVTBMBAMUJA-HUUCEWRRSA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757130977 582504651 /nfs/dbraw/zinc/50/46/51/582504651.db2.gz OSHMVTBMBAMUJA-LSDHHAIUSA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757130977 582504649 /nfs/dbraw/zinc/50/46/49/582504649.db2.gz OSHMVTBMBAMUJA-LSDHHAIUSA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757132542 582507455 /nfs/dbraw/zinc/50/74/55/582507455.db2.gz RGRCIFHZQOKWBG-CABCVRRESA-N 1 3 238.419 3.031 10 0 BGAEHO CCCCCC[N@@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757132542 582507454 /nfs/dbraw/zinc/50/74/54/582507454.db2.gz RGRCIFHZQOKWBG-CABCVRRESA-N 1 3 238.419 3.031 10 0 BGAEHO CCCCCC[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757132546 582507789 /nfs/dbraw/zinc/50/77/89/582507789.db2.gz RGRCIFHZQOKWBG-GJZGRUSLSA-N 1 3 238.419 3.031 10 0 BGAEHO CCCCCC[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757132546 582507788 /nfs/dbraw/zinc/50/77/88/582507788.db2.gz RGRCIFHZQOKWBG-GJZGRUSLSA-N 1 3 238.419 3.031 10 0 BGAEHO CCCCCC[N@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757132555 582507662 /nfs/dbraw/zinc/50/76/62/582507662.db2.gz RGRCIFHZQOKWBG-HUUCEWRRSA-N 1 3 238.419 3.031 10 0 BGAEHO CCCCCC[N@@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757132555 582507661 /nfs/dbraw/zinc/50/76/61/582507661.db2.gz RGRCIFHZQOKWBG-HUUCEWRRSA-N 1 3 238.419 3.031 10 0 BGAEHO CCCCCC[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757132558 582507674 /nfs/dbraw/zinc/50/76/74/582507674.db2.gz RGRCIFHZQOKWBG-LSDHHAIUSA-N 1 3 238.419 3.031 10 0 BGAEHO CCCCCC[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757132558 582507673 /nfs/dbraw/zinc/50/76/73/582507673.db2.gz RGRCIFHZQOKWBG-LSDHHAIUSA-N 1 3 238.419 3.031 10 0 BGAEHO CCCCCC[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757132888 582508201 /nfs/dbraw/zinc/50/82/01/582508201.db2.gz SAYZGEJLWXSHMV-CABCVRRESA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757132888 582508200 /nfs/dbraw/zinc/50/82/00/582508200.db2.gz SAYZGEJLWXSHMV-CABCVRRESA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCCN1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757132888 582508198 /nfs/dbraw/zinc/50/81/98/582508198.db2.gz SAYZGEJLWXSHMV-CABCVRRESA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757132890 582508265 /nfs/dbraw/zinc/50/82/65/582508265.db2.gz SAYZGEJLWXSHMV-GJZGRUSLSA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757132890 582508263 /nfs/dbraw/zinc/50/82/63/582508263.db2.gz SAYZGEJLWXSHMV-GJZGRUSLSA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCCN1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757132890 582508261 /nfs/dbraw/zinc/50/82/61/582508261.db2.gz SAYZGEJLWXSHMV-GJZGRUSLSA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757132897 582508177 /nfs/dbraw/zinc/50/81/77/582508177.db2.gz SAYZGEJLWXSHMV-HUUCEWRRSA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757132897 582508176 /nfs/dbraw/zinc/50/81/76/582508176.db2.gz SAYZGEJLWXSHMV-HUUCEWRRSA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCCN1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757132897 582508175 /nfs/dbraw/zinc/50/81/75/582508175.db2.gz SAYZGEJLWXSHMV-HUUCEWRRSA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757132903 582508168 /nfs/dbraw/zinc/50/81/68/582508168.db2.gz SAYZGEJLWXSHMV-LSDHHAIUSA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCC[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757132903 582508167 /nfs/dbraw/zinc/50/81/67/582508167.db2.gz SAYZGEJLWXSHMV-LSDHHAIUSA-N 1 3 238.419 3.173 10 0 BGAEHO CCCCCCN1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757132903 582508166 /nfs/dbraw/zinc/50/81/66/582508166.db2.gz SAYZGEJLWXSHMV-LSDHHAIUSA-N 1 3 238.419 3.173 10 0 BGAEHO