smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC(CCC)(CC(C)C)[NH+](C)C ZINC000001845385 571785902 /nfs/dbraw/zinc/78/59/02/571785902.db2.gz LILGNMKYDJIDKZ-UHFFFAOYSA-N 1 0 199.382 3.933 10 0 AHAERO CCCC(CCC)(CCC)[NH+](C)C ZINC000001845396 166834484 /nfs/dbraw/zinc/83/44/84/166834484.db2.gz IOHZJCCMJGFCGF-UHFFFAOYSA-N 1 0 185.355 3.687 10 0 AHAERO CC(C)=CCC[C@H](C)[NH+]1CCCCC1 ZINC000002119272 351304463 /nfs/dbraw/zinc/30/44/63/351304463.db2.gz COXFJLPPLGXPEN-ZDUSSCGKSA-N 1 0 195.350 3.607 10 0 AHAERO CC(C)=CCC[C@@H](C)[NH+]1CCCCC1 ZINC000002119275 351304562 /nfs/dbraw/zinc/30/45/62/351304562.db2.gz COXFJLPPLGXPEN-CYBMUJFWSA-N 1 0 195.350 3.607 10 0 AHAERO CCC(CC)C[NH+](C(C)C)C(C)C ZINC000002565889 571877479 /nfs/dbraw/zinc/87/74/79/571877479.db2.gz SUBFZYQWYBUTGO-UHFFFAOYSA-N 1 0 185.355 3.541 10 0 AHAERO CCCC(CCC)[C@H]1CCCCC[NH2+]1 ZINC000003735050 166835695 /nfs/dbraw/zinc/83/56/95/166835695.db2.gz MYMQXGDNRIZXNZ-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO c1cc(-c2ccccc2)[s+]s1 ZINC000005217855 169474150 /nfs/dbraw/zinc/47/41/50/169474150.db2.gz ULDMISBIUDPWCK-UHFFFAOYSA-N 1 0 179.289 3.758 10 0 AHAERO CC(C)(C)[C@H]1CCC[C@@H](C(C)(C)C)[NH2+]1 ZINC000005354142 166376642 /nfs/dbraw/zinc/37/66/42/166376642.db2.gz ZOYHTWUFFGGARK-PHIMTYICSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)(C)[C@@H]1CCC[C@@H](C(C)(C)C)[NH2+]1 ZINC000005354167 166377002 /nfs/dbraw/zinc/37/70/02/166377002.db2.gz ZOYHTWUFFGGARK-QWRGUYRKSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)(C)[C@H]1CCC[C@H](C(C)(C)C)[NH2+]1 ZINC000005354695 166381938 /nfs/dbraw/zinc/38/19/38/166381938.db2.gz ZOYHTWUFFGGARK-GHMZBOCLSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[NH2+][C@@H](C)CC1CCCCC1 ZINC000005552428 583150095 /nfs/dbraw/zinc/15/00/95/583150095.db2.gz ZZRNJGRAXSRHRL-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H]1CC[C@@H]2CCC[C@H](C)[N@H+]12 ZINC000005821921 166918864 /nfs/dbraw/zinc/91/88/64/166918864.db2.gz HFUFMWLNHRIKMV-XQQFMLRXSA-N 1 0 195.350 3.582 10 0 AHAERO CCCCC[C@@H]1CCC(CC)=[NH+]1 ZINC000013437508 571748648 /nfs/dbraw/zinc/74/86/48/571748648.db2.gz FZGBJWVCNYPHSQ-LLVKDONJSA-N 1 0 167.296 3.580 10 0 AHAERO CCCCCC1=[NH+][C@H](CC)CC1 ZINC000013437512 571747377 /nfs/dbraw/zinc/74/73/77/571747377.db2.gz VXXHEVJFTBKPKV-SNVBAGLBSA-N 1 0 167.296 3.580 10 0 AHAERO CCCCCC1=[NH+][C@@H](CC)CC1 ZINC000013437515 571749452 /nfs/dbraw/zinc/74/94/52/571749452.db2.gz VXXHEVJFTBKPKV-JTQLQIEISA-N 1 0 167.296 3.580 10 0 AHAERO CCCCC[C@@H]1CC[C@H](CCCC)[NH2+]1 ZINC000013437521 571747460 /nfs/dbraw/zinc/74/74/60/571747460.db2.gz CAMNFGRSYHBOEL-QWHCGFSZSA-N 1 0 197.366 3.878 10 0 AHAERO CCCCC[C@H]1CC[C@H](CCCC)[NH2+]1 ZINC000013437523 571748590 /nfs/dbraw/zinc/74/85/90/571748590.db2.gz CAMNFGRSYHBOEL-STQMWFEESA-N 1 0 197.366 3.878 10 0 AHAERO CCCCC[C@@H]1CC[C@@H](CCCC)[NH2+]1 ZINC000013437525 571749706 /nfs/dbraw/zinc/74/97/06/571749706.db2.gz CAMNFGRSYHBOEL-CHWSQXEVSA-N 1 0 197.366 3.878 10 0 AHAERO CCCCC[C@H]1CC[C@@H](CCCC)[NH2+]1 ZINC000013437528 571748713 /nfs/dbraw/zinc/74/87/13/571748713.db2.gz CAMNFGRSYHBOEL-OLZOCXBDSA-N 1 0 197.366 3.878 10 0 AHAERO CCCC[C@@H]1CC[C@@H]2CCC[C@@H](C)[N@H+]12 ZINC000013508846 571984079 /nfs/dbraw/zinc/98/40/79/571984079.db2.gz HFUFMWLNHRIKMV-UPJWGTAASA-N 1 0 195.350 3.582 10 0 AHAERO C[NH+](C)CCCCCC1CCCCC1 ZINC000013736092 343037013 /nfs/dbraw/zinc/03/70/13/343037013.db2.gz GELRCLKVOPWJBW-UHFFFAOYSA-N 1 0 197.366 3.689 10 0 AHAERO CC/C=C/C1=C2C[C@@H](C)C[NH+]=C2CC1 ZINC000014684250 572016162 /nfs/dbraw/zinc/01/61/62/572016162.db2.gz NSNMNJUDJJAUJI-ORAHPGNNSA-N 1 0 189.302 3.524 10 0 AHAERO CC/C=C/C1=C2C[C@H](C)C[NH+]=C2CC1 ZINC000014684251 171167898 /nfs/dbraw/zinc/16/78/98/171167898.db2.gz NSNMNJUDJJAUJI-YEZKRMTDSA-N 1 0 189.302 3.524 10 0 AHAERO CC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000019882781 167475506 /nfs/dbraw/zinc/47/55/06/167475506.db2.gz ZAEGLLYPDBDOQY-IJLUTSLNSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](C)CC ZINC000019882836 572205436 /nfs/dbraw/zinc/20/54/36/572205436.db2.gz MCVIMJOOVFRVPC-GRYCIOLGSA-N 1 0 185.355 3.589 10 0 AHAERO CCC(CC)[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000019883774 166794670 /nfs/dbraw/zinc/79/46/70/166794670.db2.gz KMSNDLPYBVGUMJ-QYJAPNMZSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@@H](C)[NH2+]C1CCC(CC)CC1 ZINC000019902579 167033176 /nfs/dbraw/zinc/03/31/76/167033176.db2.gz ZPXRNOUESZGXBA-PNESKVBLSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@H](C)[NH2+]C1CCC(CC)CC1 ZINC000019902580 167071917 /nfs/dbraw/zinc/07/19/17/167071917.db2.gz ZPXRNOUESZGXBA-HIFPTAJRSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000019902604 167036426 /nfs/dbraw/zinc/03/64/26/167036426.db2.gz RVWAMQIRLQQVSC-SDDRHHMPSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@@H](C)[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000019902608 167035414 /nfs/dbraw/zinc/03/54/14/167035414.db2.gz RVWAMQIRLQQVSC-DAAZQVBGSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000019902610 167070145 /nfs/dbraw/zinc/07/01/45/167070145.db2.gz RVWAMQIRLQQVSC-FXJUQPSGSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000019902784 167035932 /nfs/dbraw/zinc/03/59/32/167035932.db2.gz QXRALTOXTCLCDU-ZJUUUORDSA-N 1 0 197.347 3.587 10 0 AHAERO CCC[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000019902785 167071904 /nfs/dbraw/zinc/07/19/04/167071904.db2.gz QXRALTOXTCLCDU-UWVGGRQHSA-N 1 0 197.347 3.587 10 0 AHAERO CCC[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000019902787 167035331 /nfs/dbraw/zinc/03/53/31/167035331.db2.gz QXRALTOXTCLCDU-NXEZZACHSA-N 1 0 197.347 3.587 10 0 AHAERO CCC[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000019902789 167069790 /nfs/dbraw/zinc/06/97/90/167069790.db2.gz QXRALTOXTCLCDU-VHSXEESVSA-N 1 0 197.347 3.587 10 0 AHAERO CCCC(CCC)[NH2+][C@H](C)CCC ZINC000019903077 166834352 /nfs/dbraw/zinc/83/43/52/166834352.db2.gz PPFVTWYTWALZSY-LLVKDONJSA-N 1 0 185.355 3.733 10 0 AHAERO CCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000019963361 167036430 /nfs/dbraw/zinc/03/64/30/167036430.db2.gz QMPGOTADMWFLFP-FVCCEPFGSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000019963363 167036796 /nfs/dbraw/zinc/03/67/96/167036796.db2.gz QMPGOTADMWFLFP-NDBYEHHHSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000019963364 167069799 /nfs/dbraw/zinc/06/97/99/167069799.db2.gz QMPGOTADMWFLFP-VOAKCMCISA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@@H]([NH3+])c1ccc(CC)s1 ZINC000019970765 571979651 /nfs/dbraw/zinc/97/96/51/571979651.db2.gz WMVUXQMGNFYTGZ-SNVBAGLBSA-N 1 0 197.347 3.501 10 0 AHAERO CCCC[C@H]([NH3+])c1ccc(CC)s1 ZINC000019970766 571979936 /nfs/dbraw/zinc/97/99/36/571979936.db2.gz WMVUXQMGNFYTGZ-JTQLQIEISA-N 1 0 197.347 3.501 10 0 AHAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000019995544 351399078 /nfs/dbraw/zinc/39/90/78/351399078.db2.gz IKGBTZCFPXXLIW-YVECIDJPSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000019995548 343065870 /nfs/dbraw/zinc/06/58/70/343065870.db2.gz IKGBTZCFPXXLIW-WUHRBBMRSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000019995553 351398897 /nfs/dbraw/zinc/39/88/97/351398897.db2.gz IKGBTZCFPXXLIW-MROQNXINSA-N 1 0 197.366 3.589 10 0 AHAERO CCCCC[NH2+]C1CCCCCCC1 ZINC000020017079 166862650 /nfs/dbraw/zinc/86/26/50/166862650.db2.gz FBHFYPVQCLHRFW-UHFFFAOYSA-N 1 0 197.366 3.879 10 0 AHAERO CCCCCC[C@H](C)[NH2+]CCC(C)C ZINC000020307086 166856731 /nfs/dbraw/zinc/85/67/31/166856731.db2.gz GEKPNSKQPIATPZ-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC(CCC)[NH2+][C@@H](C)C(C)C ZINC000020522786 582705053 /nfs/dbraw/zinc/70/50/53/582705053.db2.gz OWPQHIKOVKNECS-NSHDSACASA-N 1 0 185.355 3.589 10 0 AHAERO CCCC(CCC)[NH2+][C@H](C)C(C)C ZINC000020522788 582705265 /nfs/dbraw/zinc/70/52/65/582705265.db2.gz OWPQHIKOVKNECS-LLVKDONJSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@@H](C)[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000020549161 167034420 /nfs/dbraw/zinc/03/44/20/167034420.db2.gz PHYLRYFTHWMZQP-XQQFMLRXSA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@H](C)[NH2+][C@H](CC)C[C@@H](C)CC ZINC000020549164 167070378 /nfs/dbraw/zinc/07/03/78/167070378.db2.gz PHYLRYFTHWMZQP-RWMBFGLXSA-N 1 0 199.382 3.979 10 0 AHAERO CCC(CC)C[NH2+][C@@H](C)CCC(C)C ZINC000020550048 166791648 /nfs/dbraw/zinc/79/16/48/166791648.db2.gz XDVCHONSNFAVJX-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000020552106 167033584 /nfs/dbraw/zinc/03/35/84/167033584.db2.gz WEEIAXSBDKZASW-GFCCVEGCSA-N 1 0 197.366 3.878 10 0 AHAERO CCC[C@H](C)[NH2+]C1CCCCCCC1 ZINC000020552107 167069356 /nfs/dbraw/zinc/06/93/56/167069356.db2.gz WEEIAXSBDKZASW-LBPRGKRZSA-N 1 0 197.366 3.878 10 0 AHAERO CCC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000021010732 167065446 /nfs/dbraw/zinc/06/54/46/167065446.db2.gz YENPZFLKWJAALL-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000021010736 167063506 /nfs/dbraw/zinc/06/35/06/167063506.db2.gz YENPZFLKWJAALL-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[NH2+][C@@H](C)CCC(C)C ZINC000021035719 171040276 /nfs/dbraw/zinc/04/02/76/171040276.db2.gz SXWBOCYOMLOCBA-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[NH2+][C@H](C)CCC(C)C ZINC000021035726 171181199 /nfs/dbraw/zinc/18/11/99/171181199.db2.gz SXWBOCYOMLOCBA-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[NH2+][C@@H](C)CCCC(C)C ZINC000021038220 572239211 /nfs/dbraw/zinc/23/92/11/572239211.db2.gz KEELIJJHLGPJHT-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000021038573 166865446 /nfs/dbraw/zinc/86/54/46/166865446.db2.gz NEQQJSXPSOWLKS-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[NH2+][C@H](CC)C[C@@H](C)CC ZINC000021038579 166866134 /nfs/dbraw/zinc/86/61/34/166866134.db2.gz NEQQJSXPSOWLKS-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[NH2+]C[C@@H](C)CCC ZINC000021500800 171181140 /nfs/dbraw/zinc/18/11/40/171181140.db2.gz CDQUJYCZBOSKHG-LBPRGKRZSA-N 1 0 185.355 3.593 10 0 AHAERO CCCCCC[NH2+]C[C@H](C)CCC ZINC000021500802 171181217 /nfs/dbraw/zinc/18/12/17/171181217.db2.gz CDQUJYCZBOSKHG-GFCCVEGCSA-N 1 0 185.355 3.593 10 0 AHAERO CC(C)CC[NH2+]CCC1=CCCCC1 ZINC000021507147 572247898 /nfs/dbraw/zinc/24/78/98/572247898.db2.gz MHWLUQKREACFJS-UHFFFAOYSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[C@@H](C)C[NH2+]C1CCCCCC1 ZINC000021510734 167030439 /nfs/dbraw/zinc/03/04/39/167030439.db2.gz VVHJWZKBPDQEHY-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](C)C[NH2+]C1CCCCCC1 ZINC000021510736 167065598 /nfs/dbraw/zinc/06/55/98/167065598.db2.gz VVHJWZKBPDQEHY-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)CCCCCC[NH2+]CC(C)C ZINC000021517954 166438604 /nfs/dbraw/zinc/43/86/04/166438604.db2.gz BINARWUWDSEQSK-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000021795880 171181628 /nfs/dbraw/zinc/18/16/28/171181628.db2.gz LXZRDCZIZPESAH-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000021795884 171181401 /nfs/dbraw/zinc/18/14/01/171181401.db2.gz LXZRDCZIZPESAH-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000021795887 171181838 /nfs/dbraw/zinc/18/18/38/171181838.db2.gz LXZRDCZIZPESAH-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[NH2+][C@H]1CCCC[C@H]1C ZINC000021795890 171181791 /nfs/dbraw/zinc/18/17/91/171181791.db2.gz LXZRDCZIZPESAH-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCC(CC)[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000021815005 166798283 /nfs/dbraw/zinc/79/82/83/166798283.db2.gz BAWOIQHYUSJDDT-AAEUAGOBSA-N 1 0 199.382 3.979 10 0 AHAERO CC(C)CC[NH2+]C1CCCCCCC1 ZINC000022149056 571690525 /nfs/dbraw/zinc/69/05/25/571690525.db2.gz XERQGWGCYAFDIE-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)CCC[C@@H](C)[NH+]1CCCCC1 ZINC000033646628 343105875 /nfs/dbraw/zinc/10/58/75/343105875.db2.gz MNPCFOXFUFQCHX-CYBMUJFWSA-N 1 0 197.366 3.687 10 0 AHAERO CC(C)CCC[C@H](C)[NH+]1CCCCC1 ZINC000033646630 343105885 /nfs/dbraw/zinc/10/58/85/343105885.db2.gz MNPCFOXFUFQCHX-ZDUSSCGKSA-N 1 0 197.366 3.687 10 0 AHAERO CCCC/[NH+]=C/C=C/c1ccccc1 ZINC000033844272 572039856 /nfs/dbraw/zinc/03/98/56/572039856.db2.gz XQAXOKLIOHMDIN-ZZZNDOSKSA-N 1 0 187.286 3.571 10 0 AHAERO CCC1(CC)CC(C)(C)C[C@@](C)([NH3+])C1 ZINC000033961708 572048486 /nfs/dbraw/zinc/04/84/86/572048486.db2.gz NBZGMQHFDNUNRQ-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CCC1(CC)CC(C)(C)C[C@](C)([NH3+])C1 ZINC000033961709 572047793 /nfs/dbraw/zinc/04/77/93/572047793.db2.gz NBZGMQHFDNUNRQ-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@]1(C)CC(C)(C)C[C@@](C)([NH3+])C1 ZINC000033975387 167096608 /nfs/dbraw/zinc/09/66/08/167096608.db2.gz RTRXNNYIVXZLDQ-CHWSQXEVSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@]1(C)CC(C)(C)C[C@@](C)([NH3+])C1 ZINC000033975388 167058757 /nfs/dbraw/zinc/05/87/57/167058757.db2.gz RTRXNNYIVXZLDQ-QWHCGFSZSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@]1(C)CC(C)(C)C[C@](C)([NH3+])C1 ZINC000033975389 167096295 /nfs/dbraw/zinc/09/62/95/167096295.db2.gz RTRXNNYIVXZLDQ-OLZOCXBDSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@]1(C)CC(C)(C)C[C@](C)([NH3+])C1 ZINC000033975390 167060173 /nfs/dbraw/zinc/06/01/73/167060173.db2.gz RTRXNNYIVXZLDQ-STQMWFEESA-N 1 0 197.366 3.720 10 0 AHAERO C[NH+](C)C1(C)CC(C)(C)CC(C)(C)C1 ZINC000033992352 572472650 /nfs/dbraw/zinc/47/26/50/572472650.db2.gz GOLVFRNKGGSJRP-UHFFFAOYSA-N 1 0 197.366 3.543 10 0 AHAERO CC(C)(C)[NH+](C(C)(C)C)C(C)(C)C ZINC000034237308 572065877 /nfs/dbraw/zinc/06/58/77/572065877.db2.gz CYQYCASVINMDFD-UHFFFAOYSA-N 1 0 185.355 3.684 10 0 AHAERO CCCC1([NH3+])CC(C)(C)CC(C)(C)C1 ZINC000034278806 572069110 /nfs/dbraw/zinc/06/91/10/572069110.db2.gz OMYKWZGACJRFAJ-UHFFFAOYSA-N 1 0 197.366 3.720 10 0 AHAERO CC[NH2+]C1(C)CC(C)(C)CC(C)(C)C1 ZINC000034278807 167260535 /nfs/dbraw/zinc/26/05/35/167260535.db2.gz JVUYSNBGWFWRLJ-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]([NH2+]C)c1cccc2ccccc21 ZINC000034333547 572004149 /nfs/dbraw/zinc/00/41/49/572004149.db2.gz RUJSBIOCVTZKPO-AWEZNQCLSA-N 1 0 199.297 3.510 10 0 AHAERO CC[C@@H]([NH2+]C)c1cccc2ccccc21 ZINC000034333548 572004583 /nfs/dbraw/zinc/00/45/83/572004583.db2.gz RUJSBIOCVTZKPO-CQSZACIVSA-N 1 0 199.297 3.510 10 0 AHAERO N#[N+]c1ccc(-c2ccccc2)cc1 ZINC000034565582 171056334 /nfs/dbraw/zinc/05/63/34/171056334.db2.gz SEALFYKPBRLOAY-UHFFFAOYSA-N 1 0 181.218 3.838 10 0 AHAERO CCCCC[C@@H](C)[NH2+]CC(CC)CC ZINC000035135690 166871284 /nfs/dbraw/zinc/87/12/84/166871284.db2.gz JIGIZNRZVCAGLA-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](C)[NH2+]CC(CC)CC ZINC000035135692 572014161 /nfs/dbraw/zinc/01/41/61/572014161.db2.gz JIGIZNRZVCAGLA-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)C ZINC000035257159 572017692 /nfs/dbraw/zinc/01/76/92/572017692.db2.gz UKSAANSDXNGSED-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCCC[C@@H]1[NH2+]CCC(C)C ZINC000035257160 572018073 /nfs/dbraw/zinc/01/80/73/572018073.db2.gz UKSAANSDXNGSED-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CCCC[C@H]1[NH2+]CCC(C)C ZINC000035257161 572018030 /nfs/dbraw/zinc/01/80/30/572018030.db2.gz UKSAANSDXNGSED-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCCC[C@H]1[NH2+]CCC(C)C ZINC000035257162 572018800 /nfs/dbraw/zinc/01/88/00/572018800.db2.gz UKSAANSDXNGSED-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)CC(C)(C)[NH2+]C1CCCC1 ZINC000035257344 166349057 /nfs/dbraw/zinc/34/90/57/166349057.db2.gz HVDWKMJXXDXFQE-UHFFFAOYSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H]([NH2+]C)c1ccc(C)s1 ZINC000035458785 572025285 /nfs/dbraw/zinc/02/52/85/572025285.db2.gz XOZCHLPLKSJNJP-JTQLQIEISA-N 1 0 197.347 3.507 10 0 AHAERO CCCC[C@@H]([NH2+]C)c1ccc(C)s1 ZINC000035458788 572023757 /nfs/dbraw/zinc/02/37/57/572023757.db2.gz XOZCHLPLKSJNJP-SNVBAGLBSA-N 1 0 197.347 3.507 10 0 AHAERO CCCCC[C@H]([NH2+]C)c1ccccc1 ZINC000035464946 343132795 /nfs/dbraw/zinc/13/27/95/343132795.db2.gz OZEHLXWXWUFATK-ZDUSSCGKSA-N 1 0 191.318 3.527 10 0 AHAERO CCCCC[C@@H]([NH2+]C)c1ccccc1 ZINC000035464949 166870935 /nfs/dbraw/zinc/87/09/35/166870935.db2.gz OZEHLXWXWUFATK-CYBMUJFWSA-N 1 0 191.318 3.527 10 0 AHAERO CCCCC[C@H]([NH2+]C)c1cccs1 ZINC000035487930 572027048 /nfs/dbraw/zinc/02/70/48/572027048.db2.gz CKFWEGFRWBGWSD-JTQLQIEISA-N 1 0 197.347 3.589 10 0 AHAERO CCCCC[C@@H]([NH2+]C)c1cccs1 ZINC000035487932 572028796 /nfs/dbraw/zinc/02/87/96/572028796.db2.gz CKFWEGFRWBGWSD-SNVBAGLBSA-N 1 0 197.347 3.589 10 0 AHAERO CCC[C@H]([NH2+]CC)c1ccc(C)s1 ZINC000035510030 572027691 /nfs/dbraw/zinc/02/76/91/572027691.db2.gz FXXBTFMNZWZYGU-JTQLQIEISA-N 1 0 197.347 3.507 10 0 AHAERO CCC[C@@H]([NH2+]CC)c1ccc(C)s1 ZINC000035510032 572028754 /nfs/dbraw/zinc/02/87/54/572028754.db2.gz FXXBTFMNZWZYGU-SNVBAGLBSA-N 1 0 197.347 3.507 10 0 AHAERO CCCC[C@H]([NH2+]CC)c1ccccc1 ZINC000035540467 572028365 /nfs/dbraw/zinc/02/83/65/572028365.db2.gz SIJPIYBCBJLSNJ-ZDUSSCGKSA-N 1 0 191.318 3.527 10 0 AHAERO CCCC[C@@H]([NH2+]CC)c1ccccc1 ZINC000035540468 572028627 /nfs/dbraw/zinc/02/86/27/572028627.db2.gz SIJPIYBCBJLSNJ-CYBMUJFWSA-N 1 0 191.318 3.527 10 0 AHAERO CCCC[C@H]([NH2+]CC)c1cccs1 ZINC000035545319 572027291 /nfs/dbraw/zinc/02/72/91/572027291.db2.gz AMIQZYXVBHFMBO-JTQLQIEISA-N 1 0 197.347 3.589 10 0 AHAERO CCCC[C@@H]([NH2+]CC)c1cccs1 ZINC000035545321 572026921 /nfs/dbraw/zinc/02/69/21/572026921.db2.gz AMIQZYXVBHFMBO-SNVBAGLBSA-N 1 0 197.347 3.589 10 0 AHAERO CCC[NH2+][C@@H](CC)c1ccc(C)s1 ZINC000035573065 572028661 /nfs/dbraw/zinc/02/86/61/572028661.db2.gz HVTHRHBZALOBBN-JTQLQIEISA-N 1 0 197.347 3.507 10 0 AHAERO CCC[NH2+][C@H](CC)c1ccc(C)s1 ZINC000035573066 571893690 /nfs/dbraw/zinc/89/36/90/571893690.db2.gz HVTHRHBZALOBBN-SNVBAGLBSA-N 1 0 197.347 3.507 10 0 AHAERO CCC[NH2+][C@@H](CCC)c1cccs1 ZINC000035581128 572027842 /nfs/dbraw/zinc/02/78/42/572027842.db2.gz NMQOQPVIJMUNIJ-JTQLQIEISA-N 1 0 197.347 3.589 10 0 AHAERO CCC[NH2+][C@H](CCC)c1cccs1 ZINC000035581129 572026578 /nfs/dbraw/zinc/02/65/78/572026578.db2.gz NMQOQPVIJMUNIJ-SNVBAGLBSA-N 1 0 197.347 3.589 10 0 AHAERO CC[C@@H](C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000035708342 351453162 /nfs/dbraw/zinc/45/31/62/351453162.db2.gz ZAEGLLYPDBDOQY-QJPTWQEYSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000035708344 351452916 /nfs/dbraw/zinc/45/29/16/351452916.db2.gz ZAEGLLYPDBDOQY-TUAOUCFPSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)C1CC1 ZINC000035733010 537802704 /nfs/dbraw/zinc/80/27/04/537802704.db2.gz ARGASPLHBNVECX-GMXVVIOVSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)C1CC1 ZINC000035733012 537800044 /nfs/dbraw/zinc/80/00/44/537800044.db2.gz ARGASPLHBNVECX-GVXVVHGQSA-N 1 0 197.366 3.589 10 0 AHAERO CCCCCC[C@H]([NH3+])c1ccccc1 ZINC000036683859 343148114 /nfs/dbraw/zinc/14/81/14/343148114.db2.gz BTUGIBZKFWLQFT-ZDUSSCGKSA-N 1 0 191.318 3.657 10 0 AHAERO CCCCCC[C@@H]([NH3+])c1ccccc1 ZINC000036683860 343148282 /nfs/dbraw/zinc/14/82/82/343148282.db2.gz BTUGIBZKFWLQFT-CYBMUJFWSA-N 1 0 191.318 3.657 10 0 AHAERO CC(C)(C)[C@H]([NH3+])CCC1CCCCC1 ZINC000036683911 572061401 /nfs/dbraw/zinc/06/14/01/572061401.db2.gz MMXDXVPZGNBQJW-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)[C@@H]([NH3+])CCC1CCCCC1 ZINC000036683912 572061572 /nfs/dbraw/zinc/06/15/72/572061572.db2.gz MMXDXVPZGNBQJW-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@@H](C)[NH2+]C[C@@H](C)CCC ZINC000036791930 572069461 /nfs/dbraw/zinc/06/94/61/572069461.db2.gz SIZSGSVSFYSPJR-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](C)[NH2+]C[C@@H](C)CCC ZINC000036791931 572071046 /nfs/dbraw/zinc/07/10/46/572071046.db2.gz SIZSGSVSFYSPJR-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@@H](C)[NH2+]C[C@H](C)CCC ZINC000036791933 572070944 /nfs/dbraw/zinc/07/09/44/572070944.db2.gz SIZSGSVSFYSPJR-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](C)[NH2+]C[C@H](C)CCC ZINC000036791935 572070459 /nfs/dbraw/zinc/07/04/59/572070459.db2.gz SIZSGSVSFYSPJR-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000036791993 572071887 /nfs/dbraw/zinc/07/18/87/572071887.db2.gz OOUAPPOYQTZHRV-AVGNSLFASA-N 1 0 199.382 3.979 10 0 AHAERO CCCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000036791997 572071133 /nfs/dbraw/zinc/07/11/33/572071133.db2.gz OOUAPPOYQTZHRV-RWMBFGLXSA-N 1 0 199.382 3.979 10 0 AHAERO CC(C)CCCCCC[NH2+]CC1CC1 ZINC000036883842 572075232 /nfs/dbraw/zinc/07/52/32/572075232.db2.gz SWTFPBORADBJCM-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000037031260 572078100 /nfs/dbraw/zinc/07/81/00/572078100.db2.gz WKWQKSJLFJRKFK-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[NH2+][C@H]1CCCC[C@@H]1CC ZINC000037031261 572078087 /nfs/dbraw/zinc/07/80/87/572078087.db2.gz WKWQKSJLFJRKFK-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000037031262 572079321 /nfs/dbraw/zinc/07/93/21/572079321.db2.gz WKWQKSJLFJRKFK-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[NH2+][C@H]1CCCC[C@H]1CC ZINC000037031263 572078234 /nfs/dbraw/zinc/07/82/34/572078234.db2.gz WKWQKSJLFJRKFK-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1CC ZINC000037031362 572078150 /nfs/dbraw/zinc/07/81/50/572078150.db2.gz LDVYENSNMRJGER-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1CC ZINC000037031363 572079457 /nfs/dbraw/zinc/07/94/57/572079457.db2.gz LDVYENSNMRJGER-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1CC ZINC000037031364 572079227 /nfs/dbraw/zinc/07/92/27/572079227.db2.gz LDVYENSNMRJGER-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000037031365 572077577 /nfs/dbraw/zinc/07/75/77/572077577.db2.gz LDVYENSNMRJGER-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000037031877 572079850 /nfs/dbraw/zinc/07/98/50/572079850.db2.gz NXEXYKMKEKBAIW-RWMBFGLXSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CC ZINC000037031879 572078879 /nfs/dbraw/zinc/07/88/79/572078879.db2.gz NXEXYKMKEKBAIW-AVGNSLFASA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@@H](C)C[NH2+]C(C)(C)CC(C)(C)C ZINC000037100613 572094486 /nfs/dbraw/zinc/09/44/86/572094486.db2.gz XLLUGKYUTOKQLR-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)C[NH2+]C(C)(C)CC(C)(C)C ZINC000037100614 572095269 /nfs/dbraw/zinc/09/52/69/572095269.db2.gz XLLUGKYUTOKQLR-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)[NH2+]C(C)(C)CC(C)(C)C ZINC000037100771 572092217 /nfs/dbraw/zinc/09/22/17/572092217.db2.gz KFEICKHAFQPTIE-SNVBAGLBSA-N 1 0 185.355 3.589 10 0 AHAERO CC[C@H](C)[NH2+]C(C)(C)CC(C)(C)C ZINC000037100772 572095254 /nfs/dbraw/zinc/09/52/54/572095254.db2.gz KFEICKHAFQPTIE-JTQLQIEISA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@@H](C)[NH2+]C(C)(C)CC(C)(C)C ZINC000037100776 572093657 /nfs/dbraw/zinc/09/36/57/572093657.db2.gz YKGUCXJEJXGEAZ-LLVKDONJSA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@H](C)[NH2+]C(C)(C)CC(C)(C)C ZINC000037100777 572092960 /nfs/dbraw/zinc/09/29/60/572092960.db2.gz YKGUCXJEJXGEAZ-NSHDSACASA-N 1 0 199.382 3.979 10 0 AHAERO CC(C)[C@@H](C)[NH2+]C(C)(C)CC(C)(C)C ZINC000037100800 343159688 /nfs/dbraw/zinc/15/96/88/343159688.db2.gz RSZNXJLCHHGISJ-LLVKDONJSA-N 1 0 199.382 3.835 10 0 AHAERO CC(C)[C@H](C)[NH2+]C(C)(C)CC(C)(C)C ZINC000037100801 166601658 /nfs/dbraw/zinc/60/16/58/166601658.db2.gz RSZNXJLCHHGISJ-NSHDSACASA-N 1 0 199.382 3.835 10 0 AHAERO C[C@H]([NH2+]C(C)(C)CC(C)(C)C)C1CC1 ZINC000037100842 343159728 /nfs/dbraw/zinc/15/97/28/343159728.db2.gz NYKDVOXDUICBKO-JTQLQIEISA-N 1 0 197.366 3.589 10 0 AHAERO C[C@@H]([NH2+]C(C)(C)CC(C)(C)C)C1CC1 ZINC000037100843 168376684 /nfs/dbraw/zinc/37/66/84/168376684.db2.gz NYKDVOXDUICBKO-SNVBAGLBSA-N 1 0 197.366 3.589 10 0 AHAERO CCCCC[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037116395 572096550 /nfs/dbraw/zinc/09/65/50/572096550.db2.gz YCBJZAFKRBJYDA-OLZOCXBDSA-N 1 0 199.382 3.979 10 0 AHAERO CCCCC[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037116396 572096892 /nfs/dbraw/zinc/09/68/92/572096892.db2.gz YCBJZAFKRBJYDA-STQMWFEESA-N 1 0 199.382 3.979 10 0 AHAERO CCCCC[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000037116397 572098706 /nfs/dbraw/zinc/09/87/06/572098706.db2.gz YCBJZAFKRBJYDA-CHWSQXEVSA-N 1 0 199.382 3.979 10 0 AHAERO CCCCC[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000037116398 572098323 /nfs/dbraw/zinc/09/83/23/572098323.db2.gz YCBJZAFKRBJYDA-QWHCGFSZSA-N 1 0 199.382 3.979 10 0 AHAERO CC(C)CCC[C@H]([NH3+])c1ccccc1 ZINC000037117013 572101483 /nfs/dbraw/zinc/10/14/83/572101483.db2.gz GRYMGPQFPUNMDX-ZDUSSCGKSA-N 1 0 191.318 3.513 10 0 AHAERO CC(C)CCC[C@@H]([NH3+])c1ccccc1 ZINC000037117014 572101249 /nfs/dbraw/zinc/10/12/49/572101249.db2.gz GRYMGPQFPUNMDX-CYBMUJFWSA-N 1 0 191.318 3.513 10 0 AHAERO CCCCCC[C@@H](C)[NH2+]C[C@@H](C)CC ZINC000037138628 572099932 /nfs/dbraw/zinc/09/99/32/572099932.db2.gz ASSWQUKOHSUIAF-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@H](C)[NH2+]C[C@@H](C)CC ZINC000037138630 572100295 /nfs/dbraw/zinc/10/02/95/572100295.db2.gz ASSWQUKOHSUIAF-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@@H](C)[NH2+]C[C@H](C)CC ZINC000037138632 572101101 /nfs/dbraw/zinc/10/11/01/572101101.db2.gz ASSWQUKOHSUIAF-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@H](C)[NH2+]C[C@H](C)CC ZINC000037138634 572100290 /nfs/dbraw/zinc/10/02/90/572100290.db2.gz ASSWQUKOHSUIAF-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CC[C@H]([NH2+]C1CCC(C)CC1)C(C)C ZINC000037201526 537809253 /nfs/dbraw/zinc/80/92/53/537809253.db2.gz MNEJXJTTYITDPF-BPCQOVAHSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+]C1CCC(C)CC1)C(C)C ZINC000037201527 537809789 /nfs/dbraw/zinc/80/97/89/537809789.db2.gz MNEJXJTTYITDPF-WXRRBKDZSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(C)C ZINC000037211446 343162870 /nfs/dbraw/zinc/16/28/70/343162870.db2.gz MELKCMUIPDDVQW-YNEHKIRRSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1C)C(C)C ZINC000037211448 167535124 /nfs/dbraw/zinc/53/51/24/167535124.db2.gz MELKCMUIPDDVQW-XQQFMLRXSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000037218570 572109419 /nfs/dbraw/zinc/10/94/19/572109419.db2.gz KPLRFFUCDLAAKS-OLZOCXBDSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000037218571 572109611 /nfs/dbraw/zinc/10/96/11/572109611.db2.gz KPLRFFUCDLAAKS-STQMWFEESA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@H](C)CCC(C)C ZINC000037218572 572110082 /nfs/dbraw/zinc/11/00/82/572110082.db2.gz KPLRFFUCDLAAKS-CHWSQXEVSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H](C)[NH2+][C@H](C)CCC(C)C ZINC000037218573 572109339 /nfs/dbraw/zinc/10/93/39/572109339.db2.gz KPLRFFUCDLAAKS-QWHCGFSZSA-N 1 0 199.382 3.979 10 0 AHAERO CC[C@H]([NH2+][C@@H](C)CCC(C)C)C(C)C ZINC000037218574 572107977 /nfs/dbraw/zinc/10/79/77/572107977.db2.gz VXJOLVSBBRLLDF-STQMWFEESA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@@H]([NH2+][C@@H](C)CCC(C)C)C(C)C ZINC000037218575 572108881 /nfs/dbraw/zinc/10/88/81/572108881.db2.gz VXJOLVSBBRLLDF-QWHCGFSZSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H]([NH2+][C@H](C)CCC(C)C)C(C)C ZINC000037218576 572109114 /nfs/dbraw/zinc/10/91/14/572109114.db2.gz VXJOLVSBBRLLDF-OLZOCXBDSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@@H]([NH2+][C@H](C)CCC(C)C)C(C)C ZINC000037218577 572107583 /nfs/dbraw/zinc/10/75/83/572107583.db2.gz VXJOLVSBBRLLDF-CHWSQXEVSA-N 1 0 199.382 3.835 10 0 AHAERO CCCCCC[NH2+][C@@H](C)CCCC ZINC000037232584 572106675 /nfs/dbraw/zinc/10/66/75/572106675.db2.gz OQMBHUFPBDXISB-LBPRGKRZSA-N 1 0 185.355 3.735 10 0 AHAERO CC[C@H]([NH2+]CC1CCCCC1)C(C)C ZINC000037255201 343164291 /nfs/dbraw/zinc/16/42/91/343164291.db2.gz GNLXHJUWTPVDNL-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH2+]CC1CCCCC1)C(C)C ZINC000037255203 343164416 /nfs/dbraw/zinc/16/44/16/343164416.db2.gz GNLXHJUWTPVDNL-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000037260298 572109194 /nfs/dbraw/zinc/10/91/94/572109194.db2.gz WRJSCUOCANGLBT-MNOVXSKESA-N 1 0 195.306 3.509 10 0 AHAERO CCCC[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000037260300 572107268 /nfs/dbraw/zinc/10/72/68/572107268.db2.gz WRJSCUOCANGLBT-QWRGUYRKSA-N 1 0 195.306 3.509 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000037260302 572110085 /nfs/dbraw/zinc/11/00/85/572110085.db2.gz WRJSCUOCANGLBT-GHMZBOCLSA-N 1 0 195.306 3.509 10 0 AHAERO CCCC[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000037260304 572108769 /nfs/dbraw/zinc/10/87/69/572108769.db2.gz WRJSCUOCANGLBT-WDEREUQCSA-N 1 0 195.306 3.509 10 0 AHAERO CCCC(CCC)[NH2+][C@@H](C)CC(C)C ZINC000037260874 572108223 /nfs/dbraw/zinc/10/82/23/572108223.db2.gz DDENOIHWQDZHPP-LBPRGKRZSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC(CCC)[NH2+][C@H](C)CC(C)C ZINC000037260876 572109321 /nfs/dbraw/zinc/10/93/21/572109321.db2.gz DDENOIHWQDZHPP-GFCCVEGCSA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@]1([NH3+])C[C@H](C)CC[C@@H]1C(C)C ZINC000037376245 167096651 /nfs/dbraw/zinc/09/66/51/167096651.db2.gz LQRVUFOHAQXYHW-UPJWGTAASA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@]1([NH3+])C[C@H](C)CC[C@@H]1C(C)C ZINC000037376248 572056469 /nfs/dbraw/zinc/05/64/69/572056469.db2.gz LQRVUFOHAQXYHW-JHJVBQTASA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@]1([NH3+])C[C@@H](C)CC[C@@H]1C(C)C ZINC000037376251 167096195 /nfs/dbraw/zinc/09/61/95/167096195.db2.gz LQRVUFOHAQXYHW-XQQFMLRXSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@]1([NH3+])C[C@H](C)CC(C)(C)C1 ZINC000037376569 537817193 /nfs/dbraw/zinc/81/71/93/537817193.db2.gz LQRIHLPSNXEHFK-YPMHNXCESA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@]1([NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000037376571 537815173 /nfs/dbraw/zinc/81/51/73/537815173.db2.gz LQRIHLPSNXEHFK-AAEUAGOBSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@]1([NH3+])C[C@H](C)CC(C)(C)C1 ZINC000037376574 351467055 /nfs/dbraw/zinc/46/70/55/351467055.db2.gz LQRIHLPSNXEHFK-DGCLKSJQSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@]1([NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000037376577 351467080 /nfs/dbraw/zinc/46/70/80/351467080.db2.gz LQRIHLPSNXEHFK-WCQYABFASA-N 1 0 197.366 3.576 10 0 AHAERO CCC(C)(C)C1CCC([NH3+])(CC)CC1 ZINC000037376601 571776209 /nfs/dbraw/zinc/77/62/09/571776209.db2.gz UHEMTZKVMLHYHP-UHFFFAOYSA-N 1 0 197.366 3.720 10 0 AHAERO [NH3+]C1(C2CCCCC2)CCCCCC1 ZINC000037376629 169169087 /nfs/dbraw/zinc/16/90/87/169169087.db2.gz UUXXFDBHUNKKQL-UHFFFAOYSA-N 1 0 195.350 3.618 10 0 AHAERO CC(C)C1([NH3+])CCC(C(C)(C)C)CC1 ZINC000037376704 351466924 /nfs/dbraw/zinc/46/69/24/351466924.db2.gz GDEYFQHBUPHGPX-UHFFFAOYSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC1([NH3+])CCC(C(C)(C)C)CC1 ZINC000037376709 571777616 /nfs/dbraw/zinc/77/76/16/571777616.db2.gz FLIYMSWETSHZCZ-UHFFFAOYSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)[C@]1([NH3+])CCCC[C@@H]1C(C)(C)C ZINC000037376968 166623594 /nfs/dbraw/zinc/62/35/94/166623594.db2.gz MBVDKHCSDDFYHU-DGCLKSJQSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@@]1([NH3+])CCCC[C@@H]1C(C)(C)C ZINC000037376972 571776744 /nfs/dbraw/zinc/77/67/44/571776744.db2.gz MBVDKHCSDDFYHU-YPMHNXCESA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000037376975 571777826 /nfs/dbraw/zinc/77/78/26/571777826.db2.gz MBVDKHCSDDFYHU-WCQYABFASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000037376978 166595247 /nfs/dbraw/zinc/59/52/47/166595247.db2.gz MBVDKHCSDDFYHU-AAEUAGOBSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@]1([NH3+])CCCC[C@@H]1C(C)(C)C ZINC000037376991 167095424 /nfs/dbraw/zinc/09/54/24/167095424.db2.gz HQYNDUSBWBXULY-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@]1([NH3+])CCCC[C@@H]1C(C)(C)C ZINC000037376994 167062365 /nfs/dbraw/zinc/06/23/65/167062365.db2.gz HQYNDUSBWBXULY-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000037376995 167097275 /nfs/dbraw/zinc/09/72/75/167097275.db2.gz HQYNDUSBWBXULY-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000037376998 167062556 /nfs/dbraw/zinc/06/25/56/167062556.db2.gz HQYNDUSBWBXULY-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[NH2+][C@@H](CC(C)C)C1CCCCC1 ZINC000037468193 572133636 /nfs/dbraw/zinc/13/36/36/572133636.db2.gz SZASZTLJLDXCDV-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC(C)C)C1CCCCC1 ZINC000037468195 572134738 /nfs/dbraw/zinc/13/47/38/572134738.db2.gz SZASZTLJLDXCDV-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC(C)C)C1CCCC1 ZINC000037468245 572133681 /nfs/dbraw/zinc/13/36/81/572133681.db2.gz LUMWHMPVHTTZDV-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC(C)C)C1CCCC1 ZINC000037468247 572133246 /nfs/dbraw/zinc/13/32/46/572133246.db2.gz LUMWHMPVHTTZDV-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C(C)C)C1CCCCC1 ZINC000037468344 572132891 /nfs/dbraw/zinc/13/28/91/572132891.db2.gz IFAYNELMYYKIME-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C(C)C)C1CCCCC1 ZINC000037468346 572132881 /nfs/dbraw/zinc/13/28/81/572132881.db2.gz IFAYNELMYYKIME-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CCC)C1CCCCC1 ZINC000037468799 572135862 /nfs/dbraw/zinc/13/58/62/572135862.db2.gz JKFJAZRBBONING-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@H](CCC)C1CCCCC1 ZINC000037468801 572138148 /nfs/dbraw/zinc/13/81/48/572138148.db2.gz JKFJAZRBBONING-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H](C1CCCCC1)C(C)(C)C ZINC000037469044 572138332 /nfs/dbraw/zinc/13/83/32/572138332.db2.gz VIEQKIZMSLQTFO-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C1CCCCC1)C(C)(C)C ZINC000037469045 572138143 /nfs/dbraw/zinc/13/81/43/572138143.db2.gz VIEQKIZMSLQTFO-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C1CCCC1)C(C)(C)C ZINC000037469076 572137806 /nfs/dbraw/zinc/13/78/06/572137806.db2.gz ZXSYKRVAWHUWGJ-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C1CCCC1)C(C)(C)C ZINC000037469077 572137019 /nfs/dbraw/zinc/13/70/19/572137019.db2.gz ZXSYKRVAWHUWGJ-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)CC[NH2+]CC1CCCCC1 ZINC000037488715 166350886 /nfs/dbraw/zinc/35/08/86/166350886.db2.gz KOFLXVTZSLQGHQ-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC(CC)C[NH2+]CCC1CCCC1 ZINC000037492990 572162343 /nfs/dbraw/zinc/16/23/43/572162343.db2.gz HRIHNXXGPFLGIV-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)CC[NH2+]CCC1CCCCC1 ZINC000037501068 166445855 /nfs/dbraw/zinc/44/58/55/166445855.db2.gz KSUHZMSZFLSIKA-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@H](CC)C[NH2+]C(C)(C)C ZINC000037927206 572245734 /nfs/dbraw/zinc/24/57/34/572245734.db2.gz CVZJTRYPCLQAFQ-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@H]([NH2+]CCC)C(C)C ZINC000037949089 572247366 /nfs/dbraw/zinc/24/73/66/572247366.db2.gz ZOFDCLIBPLJGFM-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)CCC1CCCCC1 ZINC000038001113 171042212 /nfs/dbraw/zinc/04/22/12/171042212.db2.gz LMPYZGNGPIUCDO-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@H](C)CCC1CCCCC1 ZINC000038001114 167000933 /nfs/dbraw/zinc/00/09/33/167000933.db2.gz LMPYZGNGPIUCDO-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000038001233 166995320 /nfs/dbraw/zinc/99/53/20/166995320.db2.gz QUURCQIWFLTDNS-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000038001234 167000250 /nfs/dbraw/zinc/00/02/50/167000250.db2.gz QUURCQIWFLTDNS-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCCC[C@@H](C)[C@@H](C)[NH2+]CC ZINC000038001259 571691843 /nfs/dbraw/zinc/69/18/43/571691843.db2.gz KPXSBYILBBOZOP-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@H](C)[C@@H](C)[NH2+]CC ZINC000038001260 166857697 /nfs/dbraw/zinc/85/76/97/166857697.db2.gz KPXSBYILBBOZOP-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@H](CC)[C@@H](C)[NH2+]C ZINC000038004617 166857347 /nfs/dbraw/zinc/85/73/47/166857347.db2.gz NJCUJNUKQXOBBB-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@H](CC)[C@H](C)[NH2+]C ZINC000038004619 166856844 /nfs/dbraw/zinc/85/68/44/166856844.db2.gz NJCUJNUKQXOBBB-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@@H](CC)[C@H](C)[NH2+]CC ZINC000038004832 166854205 /nfs/dbraw/zinc/85/42/05/166854205.db2.gz UDBOLULMGJDNCC-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@H](CC)[C@H](C)[NH2+]CC ZINC000038004833 166856703 /nfs/dbraw/zinc/85/67/03/166856703.db2.gz UDBOLULMGJDNCC-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@@H](C)[C@@H](CC)CCC(C)C ZINC000038004976 166996370 /nfs/dbraw/zinc/99/63/70/166996370.db2.gz GDQLXCMKSGBEFK-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)[C@@H](CC)CCC(C)C ZINC000038004977 166999705 /nfs/dbraw/zinc/99/97/05/166999705.db2.gz GDQLXCMKSGBEFK-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)[C@H](CC)CCC(C)C ZINC000038004979 167000813 /nfs/dbraw/zinc/00/08/13/167000813.db2.gz GDQLXCMKSGBEFK-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@@H](CC)[C@@H](C)[NH2+]CCC ZINC000038005004 571693897 /nfs/dbraw/zinc/69/38/97/571693897.db2.gz LGBRAOFXXNXPBW-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO C1CCCCCC[NH2+]CCCCCC1 ZINC000038220955 166089758 /nfs/dbraw/zinc/08/97/58/166089758.db2.gz OPIYXDLVKKNYRB-UHFFFAOYSA-N 1 0 197.366 3.881 10 0 AHAERO N#[N+]c1ccc(Oc2ccccc2)cc1 ZINC000038879815 343191570 /nfs/dbraw/zinc/19/15/70/343191570.db2.gz HDXOJRUTURTKKH-UHFFFAOYSA-N 1 0 197.217 3.963 10 0 AHAERO CCCCc1ccc([N+]#N)cc1 ZINC000039244544 571915743 /nfs/dbraw/zinc/91/57/43/571915743.db2.gz AMSFUQCOZZTVCW-UHFFFAOYSA-N 1 0 161.228 3.514 10 0 AHAERO CC(C)(C)C1CC[NH+](C(C)(C)C)CC1 ZINC000039274302 343209355 /nfs/dbraw/zinc/20/93/55/343209355.db2.gz DAZLXPUSMBNBGA-UHFFFAOYSA-N 1 0 197.366 3.543 10 0 AHAERO CCCC(CCC)[NH2+]CC(C)(C)C ZINC000040492646 573118513 /nfs/dbraw/zinc/11/85/13/573118513.db2.gz KXQIKQNJEGLZEJ-UHFFFAOYSA-N 1 0 185.355 3.591 10 0 AHAERO CC(C)CCC[C@@H](C)[NH2+]CC(C)(C)C ZINC000041051169 573822118 /nfs/dbraw/zinc/82/21/18/573822118.db2.gz HJHCWJZJABEQGV-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)CCC[C@H](C)[NH2+]CC(C)(C)C ZINC000041051170 573822096 /nfs/dbraw/zinc/82/20/96/573822096.db2.gz HJHCWJZJABEQGV-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)(C)C[NH2+]C(C)(C)CC(C)(C)C ZINC000041051338 166353628 /nfs/dbraw/zinc/35/36/28/166353628.db2.gz IEGZGKQAJOPEDN-UHFFFAOYSA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@H](CCC1CCCC1)C(C)(C)C ZINC000042011499 168053486 /nfs/dbraw/zinc/05/34/86/168053486.db2.gz RMRKEHIZXIIPKR-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](CCC1CCCC1)C(C)(C)C ZINC000042011501 168037726 /nfs/dbraw/zinc/03/77/26/168037726.db2.gz RMRKEHIZXIIPKR-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC)CCC1CCCC1 ZINC000042011510 166996306 /nfs/dbraw/zinc/99/63/06/166996306.db2.gz PPZUXZGWXIETEX-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@H](CC)CCC1CCCC1 ZINC000042011512 573912762 /nfs/dbraw/zinc/91/27/62/573912762.db2.gz PPZUXZGWXIETEX-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H](CCC1CCCC1)C(C)C ZINC000042011513 167288871 /nfs/dbraw/zinc/28/88/71/167288871.db2.gz KRVYSIVEAGGXHH-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC1CCCC1)C(C)C ZINC000042011515 167300055 /nfs/dbraw/zinc/30/00/55/167300055.db2.gz KRVYSIVEAGGXHH-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)[C@@H](C)CC1CCCC1 ZINC000042011517 171146400 /nfs/dbraw/zinc/14/64/00/171146400.db2.gz ZTJCHGXSTGMHNK-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C)[C@@H](C)CC1CCCC1 ZINC000042011519 167000903 /nfs/dbraw/zinc/00/09/03/167000903.db2.gz ZTJCHGXSTGMHNK-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)[C@H](C)CC1CCCC1 ZINC000042011521 573913499 /nfs/dbraw/zinc/91/34/99/573913499.db2.gz ZTJCHGXSTGMHNK-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C)[C@H](C)CC1CCCC1 ZINC000042011523 167001188 /nfs/dbraw/zinc/00/11/88/167001188.db2.gz ZTJCHGXSTGMHNK-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)[C@@H](CC)CC1CCCC1 ZINC000042011525 167296181 /nfs/dbraw/zinc/29/61/81/167296181.db2.gz AOOMPJKHORMAJZ-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)[C@H](CC)CC1CCCC1 ZINC000042011527 167295844 /nfs/dbraw/zinc/29/58/44/167295844.db2.gz AOOMPJKHORMAJZ-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C)[C@@H](CC)CC1CCCC1 ZINC000042011529 167283737 /nfs/dbraw/zinc/28/37/37/167283737.db2.gz AOOMPJKHORMAJZ-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C)[C@H](CC)CC1CCCC1 ZINC000042011531 167285391 /nfs/dbraw/zinc/28/53/91/167285391.db2.gz AOOMPJKHORMAJZ-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC000042222481 573930251 /nfs/dbraw/zinc/93/02/51/573930251.db2.gz HAYDHHSSQQYUQU-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](C)[NH2+]CCC(C)(C)C ZINC000042222482 573932464 /nfs/dbraw/zinc/93/24/64/573932464.db2.gz HAYDHHSSQQYUQU-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@@H]1CCC[C@@H]1[NH2+]CC ZINC000042399389 573948745 /nfs/dbraw/zinc/94/87/45/573948745.db2.gz MYDOTGYNOUFLAO-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H]1CCC[C@@H]1[NH2+]CC ZINC000042399393 573947866 /nfs/dbraw/zinc/94/78/66/573947866.db2.gz MYDOTGYNOUFLAO-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@@H]1CCC[C@H]1[NH2+]CC ZINC000042399397 166857927 /nfs/dbraw/zinc/85/79/27/166857927.db2.gz MYDOTGYNOUFLAO-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H]1CCC[C@H]1[NH2+]CC ZINC000042399401 573947485 /nfs/dbraw/zinc/94/74/85/573947485.db2.gz MYDOTGYNOUFLAO-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000042399910 573950785 /nfs/dbraw/zinc/95/07/85/573950785.db2.gz MAGUCPYHOGCOTH-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000042399913 167003743 /nfs/dbraw/zinc/00/37/43/167003743.db2.gz MAGUCPYHOGCOTH-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000042399915 166997302 /nfs/dbraw/zinc/99/73/02/166997302.db2.gz MAGUCPYHOGCOTH-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000042399919 167001974 /nfs/dbraw/zinc/00/19/74/167001974.db2.gz MAGUCPYHOGCOTH-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@H]1CCC[C@@H]1[NH2+]CCC ZINC000042399966 572014277 /nfs/dbraw/zinc/01/42/77/572014277.db2.gz DZNMJZJHKPJVPG-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H]1CCC[C@@H]1[NH2+]CCC ZINC000042399970 166876852 /nfs/dbraw/zinc/87/68/52/166876852.db2.gz DZNMJZJHKPJVPG-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@@H]1CCC[C@H]1[NH2+]CCC ZINC000042399972 166874251 /nfs/dbraw/zinc/87/42/51/166874251.db2.gz DZNMJZJHKPJVPG-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H]1CCC[C@H]1[NH2+]CCC ZINC000042399976 573950609 /nfs/dbraw/zinc/95/06/09/573950609.db2.gz DZNMJZJHKPJVPG-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000042402567 573943561 /nfs/dbraw/zinc/94/35/61/573943561.db2.gz VKFWHVOULCMXNS-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H]1CCCC[C@@H]1[NH2+]C ZINC000042402571 166857011 /nfs/dbraw/zinc/85/70/11/166857011.db2.gz VKFWHVOULCMXNS-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@@H]1CCCC[C@H]1[NH2+]C ZINC000042402575 573942263 /nfs/dbraw/zinc/94/22/63/573942263.db2.gz VKFWHVOULCMXNS-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H]1CCCC[C@H]1[NH2+]C ZINC000042402578 573939966 /nfs/dbraw/zinc/93/99/66/573939966.db2.gz VKFWHVOULCMXNS-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H]1CCCC[C@@H]1CCC(C)C ZINC000042403122 167290604 /nfs/dbraw/zinc/29/06/04/167290604.db2.gz XGQUOGKBQYXSGX-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCCC[C@@H]1CCC(C)C ZINC000042403126 167301584 /nfs/dbraw/zinc/30/15/84/167301584.db2.gz XGQUOGKBQYXSGX-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCCC[C@H]1CCC(C)C ZINC000042403130 167291888 /nfs/dbraw/zinc/29/18/88/167291888.db2.gz XGQUOGKBQYXSGX-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCCC[C@H]1CCC(C)C ZINC000042403133 167300560 /nfs/dbraw/zinc/30/05/60/167300560.db2.gz XGQUOGKBQYXSGX-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@H]1CCCC[C@@H]1[NH2+]CC ZINC000042403186 166872902 /nfs/dbraw/zinc/87/29/02/166872902.db2.gz HLPQCGLIWMUKGM-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H]1CCCC[C@@H]1[NH2+]CC ZINC000042403190 572014036 /nfs/dbraw/zinc/01/40/36/572014036.db2.gz HLPQCGLIWMUKGM-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@@H]1CCCC[C@H]1[NH2+]CC ZINC000042403193 573940437 /nfs/dbraw/zinc/94/04/37/573940437.db2.gz HLPQCGLIWMUKGM-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H]1CCCC[C@H]1[NH2+]CC ZINC000042403197 573942691 /nfs/dbraw/zinc/94/26/91/573942691.db2.gz HLPQCGLIWMUKGM-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H]1CCCC[C@@H]1CC(C)C ZINC000042403418 573940160 /nfs/dbraw/zinc/94/01/60/573940160.db2.gz ZUOAHOYMLTUVPN-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCCC[C@@H]1CC(C)C ZINC000042403421 167003009 /nfs/dbraw/zinc/00/30/09/167003009.db2.gz ZUOAHOYMLTUVPN-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCCC[C@H]1CC(C)C ZINC000042403424 573941211 /nfs/dbraw/zinc/94/12/11/573941211.db2.gz ZUOAHOYMLTUVPN-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCCC[C@H]1CC(C)C ZINC000042403428 167002537 /nfs/dbraw/zinc/00/25/37/167002537.db2.gz ZUOAHOYMLTUVPN-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1CCCC[C@@H]1[NH2+]CCC ZINC000042403477 166920003 /nfs/dbraw/zinc/92/00/03/166920003.db2.gz YJQYIVDTJYHPKQ-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H]1CCCC[C@@H]1[NH2+]CCC ZINC000042403480 166928936 /nfs/dbraw/zinc/92/89/36/166928936.db2.gz YJQYIVDTJYHPKQ-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H]1CCCC[C@H]1[NH2+]CCC ZINC000042403483 573942830 /nfs/dbraw/zinc/94/28/30/573942830.db2.gz YJQYIVDTJYHPKQ-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H]1CCCC[C@H]1[NH2+]CCC ZINC000042403487 166929698 /nfs/dbraw/zinc/92/96/98/166929698.db2.gz YJQYIVDTJYHPKQ-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC(CCC)[NH2+][C@@H](C)[C@@H](C)CC ZINC000042552593 573980860 /nfs/dbraw/zinc/98/08/60/573980860.db2.gz UIRHPFQTCMDWRT-RYUDHWBXSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC(CCC)[NH2+][C@H](C)[C@@H](C)CC ZINC000042552596 573980663 /nfs/dbraw/zinc/98/06/63/573980663.db2.gz UIRHPFQTCMDWRT-NWDGAFQWSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC(CCC)[NH2+][C@@H](C)[C@H](C)CC ZINC000042552599 573978831 /nfs/dbraw/zinc/97/88/31/573978831.db2.gz UIRHPFQTCMDWRT-NEPJUHHUSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC(CCC)[NH2+][C@H](C)[C@H](C)CC ZINC000042552602 573976108 /nfs/dbraw/zinc/97/61/08/573976108.db2.gz UIRHPFQTCMDWRT-VXGBXAGGSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000042553931 573979613 /nfs/dbraw/zinc/97/96/13/573979613.db2.gz OURNOVGGINZXLZ-TUAOUCFPSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000042553934 573976648 /nfs/dbraw/zinc/97/66/48/573976648.db2.gz OURNOVGGINZXLZ-SRVKXCTJSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000042553937 573980767 /nfs/dbraw/zinc/98/07/67/573980767.db2.gz OURNOVGGINZXLZ-QJPTWQEYSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000042553940 573980651 /nfs/dbraw/zinc/98/06/51/573980651.db2.gz OURNOVGGINZXLZ-SDDRHHMPSA-N 1 0 185.355 3.589 10 0 AHAERO CC[C@H](C)C[NH2+]C1CCC(CC)CC1 ZINC000042577298 572034728 /nfs/dbraw/zinc/03/47/28/572034728.db2.gz OEELYXFCKGKROI-HIFPTAJRSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[NH2+]C1CCC(CC)CC1 ZINC000042577300 573985033 /nfs/dbraw/zinc/98/50/33/573985033.db2.gz OEELYXFCKGKROI-PNESKVBLSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC(CCC)[NH2+][C@@H](CC)C(C)C ZINC000042585100 573979618 /nfs/dbraw/zinc/97/96/18/573979618.db2.gz OZVAKBZBFIKGRJ-ZDUSSCGKSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC(CCC)[NH2+][C@H](CC)C(C)C ZINC000042585103 166834433 /nfs/dbraw/zinc/83/44/33/166834433.db2.gz OZVAKBZBFIKGRJ-CYBMUJFWSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@@H](CC)C(C)C ZINC000042586007 573976339 /nfs/dbraw/zinc/97/63/39/573976339.db2.gz VDPRMQKTTQIFDK-NEPJUHHUSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@H](C)[NH2+][C@@H](CC)C(C)C ZINC000042586010 573977625 /nfs/dbraw/zinc/97/76/25/573977625.db2.gz VDPRMQKTTQIFDK-RYUDHWBXSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@H](CC)C(C)C ZINC000042586013 573977814 /nfs/dbraw/zinc/97/78/14/573977814.db2.gz VDPRMQKTTQIFDK-VXGBXAGGSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@H](C)[NH2+][C@H](CC)C(C)C ZINC000042586016 573980399 /nfs/dbraw/zinc/98/03/99/573980399.db2.gz VDPRMQKTTQIFDK-NWDGAFQWSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@H]([NH2+]C)c1sccc1C ZINC000042729125 573250767 /nfs/dbraw/zinc/25/07/67/573250767.db2.gz AFZULGXYLHWYKC-JTQLQIEISA-N 1 0 197.347 3.507 10 0 AHAERO CCCC[C@@H]([NH2+]C)c1sccc1C ZINC000042729126 573252528 /nfs/dbraw/zinc/25/25/28/573252528.db2.gz AFZULGXYLHWYKC-SNVBAGLBSA-N 1 0 197.347 3.507 10 0 AHAERO CCC[C@H]([NH2+]CC)c1sccc1C ZINC000042729893 167085643 /nfs/dbraw/zinc/08/56/43/167085643.db2.gz OOCAAWWNCAILMJ-JTQLQIEISA-N 1 0 197.347 3.507 10 0 AHAERO CCC[C@@H]([NH2+]CC)c1sccc1C ZINC000042729896 167046968 /nfs/dbraw/zinc/04/69/68/167046968.db2.gz OOCAAWWNCAILMJ-SNVBAGLBSA-N 1 0 197.347 3.507 10 0 AHAERO CCC(CC)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042857238 166794992 /nfs/dbraw/zinc/79/49/92/166794992.db2.gz PJFFPDFOGBZFCP-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042857242 573271032 /nfs/dbraw/zinc/27/10/32/573271032.db2.gz PJFFPDFOGBZFCP-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000042857246 573270732 /nfs/dbraw/zinc/27/07/32/573270732.db2.gz PJFFPDFOGBZFCP-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000042857249 573271349 /nfs/dbraw/zinc/27/13/49/573271349.db2.gz PJFFPDFOGBZFCP-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042857524 167037282 /nfs/dbraw/zinc/03/72/82/167037282.db2.gz ULLQURZFFPFKAU-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042857527 167070581 /nfs/dbraw/zinc/07/05/81/167070581.db2.gz ULLQURZFFPFKAU-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042857531 167034859 /nfs/dbraw/zinc/03/48/59/167034859.db2.gz ULLQURZFFPFKAU-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042857534 167069863 /nfs/dbraw/zinc/06/98/63/167069863.db2.gz ULLQURZFFPFKAU-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042857827 573272551 /nfs/dbraw/zinc/27/25/51/573272551.db2.gz ANMDGRPTOVBBHA-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042857829 573271104 /nfs/dbraw/zinc/27/11/04/573271104.db2.gz ANMDGRPTOVBBHA-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000042857832 573270529 /nfs/dbraw/zinc/27/05/29/573270529.db2.gz ANMDGRPTOVBBHA-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[NH2+]C[C@H]1CCCC[C@H]1C ZINC000042857835 573274560 /nfs/dbraw/zinc/27/45/60/573274560.db2.gz ANMDGRPTOVBBHA-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO C[NH2+][C@@H](CCC(C)C)C1CCCCC1 ZINC000043374511 168035963 /nfs/dbraw/zinc/03/59/63/168035963.db2.gz HWTDISPRHKBVBQ-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](CCC(C)C)C1CCCCC1 ZINC000043374513 168053126 /nfs/dbraw/zinc/05/31/26/168053126.db2.gz HWTDISPRHKBVBQ-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CCC(C)C)C1CCCC1 ZINC000043374581 167288518 /nfs/dbraw/zinc/28/85/18/167288518.db2.gz ALVINXGGVMDWHI-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC(C)C)C1CCCC1 ZINC000043374583 167299567 /nfs/dbraw/zinc/29/95/67/167299567.db2.gz ALVINXGGVMDWHI-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CCC(C)C)CC(C)C ZINC000043374625 166994470 /nfs/dbraw/zinc/99/44/70/166994470.db2.gz GDNRZKZIQRVUFT-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CCC(C)C)CC(C)C ZINC000043374627 167001118 /nfs/dbraw/zinc/00/11/18/167001118.db2.gz GDNRZKZIQRVUFT-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](CC)C[NH2+]C(C)(C)CC ZINC000043454643 573816643 /nfs/dbraw/zinc/81/66/43/573816643.db2.gz NEZKEWQLYWFDFL-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)C[NH2+]C(C)(C)CC ZINC000043454645 573814726 /nfs/dbraw/zinc/81/47/26/573814726.db2.gz NEZKEWQLYWFDFL-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)C[NH2+]CC1CCC1 ZINC000043454732 573814872 /nfs/dbraw/zinc/81/48/72/573814872.db2.gz AYGNPTREAGLKRT-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H](CC)C[NH2+]CC1CCC1 ZINC000043454733 573816701 /nfs/dbraw/zinc/81/67/01/573816701.db2.gz AYGNPTREAGLKRT-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@H](CC)CC[C@H]([NH3+])CC ZINC000043455634 166915420 /nfs/dbraw/zinc/91/54/20/166915420.db2.gz OFOQJXQTOJORJG-VXGBXAGGSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@H](CC)CC[C@H]([NH3+])CC ZINC000043455636 573816173 /nfs/dbraw/zinc/81/61/73/573816173.db2.gz OFOQJXQTOJORJG-NWDGAFQWSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@@H](CC)CC[C@@H]([NH3+])CC ZINC000043455638 573813397 /nfs/dbraw/zinc/81/33/97/573813397.db2.gz OFOQJXQTOJORJG-NEPJUHHUSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@H](CC)CC[C@@H]([NH3+])CC ZINC000043455640 573815100 /nfs/dbraw/zinc/81/51/00/573815100.db2.gz OFOQJXQTOJORJG-RYUDHWBXSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](C)[C@@H](C)[NH3+] ZINC000043455642 573812462 /nfs/dbraw/zinc/81/24/62/573812462.db2.gz KIJVHURIXAVPLS-IJLUTSLNSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H](CC)C[C@@H](C)[C@@H](C)[NH3+] ZINC000043455644 573816603 /nfs/dbraw/zinc/81/66/03/573816603.db2.gz KIJVHURIXAVPLS-UTUOFQBUSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@@H](CC)C[C@H](C)[C@@H](C)[NH3+] ZINC000043455646 573815592 /nfs/dbraw/zinc/81/55/92/573815592.db2.gz KIJVHURIXAVPLS-QJPTWQEYSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H](CC)C[C@H](C)[C@@H](C)[NH3+] ZINC000043455648 573812574 /nfs/dbraw/zinc/81/25/74/573812574.db2.gz KIJVHURIXAVPLS-TUAOUCFPSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@@H](CC)CC[C@@H](C)[NH2+]C ZINC000043455650 166914686 /nfs/dbraw/zinc/91/46/86/166914686.db2.gz HNYZCTUVLMKUJQ-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](CC)CC[C@@H](C)[NH2+]C ZINC000043455652 166924341 /nfs/dbraw/zinc/92/43/41/166924341.db2.gz HNYZCTUVLMKUJQ-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CC)CC[C@H](C)[NH2+]C ZINC000043455654 573812678 /nfs/dbraw/zinc/81/26/78/573812678.db2.gz HNYZCTUVLMKUJQ-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](CC)CC[C@H](C)[NH2+]C ZINC000043455656 573816497 /nfs/dbraw/zinc/81/64/97/573816497.db2.gz HNYZCTUVLMKUJQ-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CC)CC[C@@H](CC)[NH2+]C ZINC000043455658 573815356 /nfs/dbraw/zinc/81/53/56/573815356.db2.gz PZJYFZSHKOPCDV-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)CC[C@@H](CC)[NH2+]C ZINC000043455660 166924211 /nfs/dbraw/zinc/92/42/11/166924211.db2.gz PZJYFZSHKOPCDV-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)CC[C@H](CC)[NH2+]C ZINC000043455662 573813114 /nfs/dbraw/zinc/81/31/14/573813114.db2.gz PZJYFZSHKOPCDV-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)CC[C@H](CC)[NH2+]C ZINC000043455664 573815079 /nfs/dbraw/zinc/81/50/79/573815079.db2.gz PZJYFZSHKOPCDV-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](C)[C@@H](C)[NH2+]C ZINC000043455666 166917045 /nfs/dbraw/zinc/91/70/45/166917045.db2.gz IBCQCQMWJDRXPD-JHJVBQTASA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](CC)C[C@@H](C)[C@@H](C)[NH2+]C ZINC000043455668 573814465 /nfs/dbraw/zinc/81/44/65/573814465.db2.gz IBCQCQMWJDRXPD-UPJWGTAASA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](CC)C[C@H](C)[C@@H](C)[NH2+]C ZINC000043455670 166917516 /nfs/dbraw/zinc/91/75/16/166917516.db2.gz IBCQCQMWJDRXPD-YNEHKIRRSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](CC)C[C@H](C)[C@@H](C)[NH2+]C ZINC000043455672 573811795 /nfs/dbraw/zinc/81/17/95/573811795.db2.gz IBCQCQMWJDRXPD-XQQFMLRXSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](CC)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000043455674 573811739 /nfs/dbraw/zinc/81/17/39/573811739.db2.gz FEUUSZZIIZKYCC-AGIUHOORSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000043455675 573814214 /nfs/dbraw/zinc/81/42/14/573814214.db2.gz FEUUSZZIIZKYCC-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H](CC)C[C@H]1CCC[C@@H]1[NH3+] ZINC000043455677 573815586 /nfs/dbraw/zinc/81/55/86/573815586.db2.gz FEUUSZZIIZKYCC-UPJWGTAASA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)C[C@H]1CCC[C@@H]1[NH3+] ZINC000043455679 573816046 /nfs/dbraw/zinc/81/60/46/573816046.db2.gz FEUUSZZIIZKYCC-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H](CC)CC1([NH3+])CCCC1 ZINC000043456142 572185628 /nfs/dbraw/zinc/18/56/28/572185628.db2.gz DDPWVPRIRIVAHV-GFCCVEGCSA-N 1 0 197.366 3.864 10 0 AHAERO CCCC[C@H](CC)CC1([NH3+])CCCC1 ZINC000043456144 573816754 /nfs/dbraw/zinc/81/67/54/573816754.db2.gz DDPWVPRIRIVAHV-LBPRGKRZSA-N 1 0 197.366 3.864 10 0 AHAERO CCCC[C@@H](CC)C[C@](C)([NH3+])CC ZINC000043456149 573814573 /nfs/dbraw/zinc/81/45/73/573814573.db2.gz LTDKUDSVMZJATG-VXGBXAGGSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@H](CC)C[C@](C)([NH3+])CC ZINC000043456151 166924385 /nfs/dbraw/zinc/92/43/85/166924385.db2.gz LTDKUDSVMZJATG-NWDGAFQWSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@@H](CC)C[C@@](C)([NH3+])CC ZINC000043456152 573813820 /nfs/dbraw/zinc/81/38/20/573813820.db2.gz LTDKUDSVMZJATG-NEPJUHHUSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@H](CC)C[C@@](C)([NH3+])CC ZINC000043456154 573814935 /nfs/dbraw/zinc/81/49/35/573814935.db2.gz LTDKUDSVMZJATG-RYUDHWBXSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@@H](CC)C[C@H]([NH3+])C(C)C ZINC000043456500 573816062 /nfs/dbraw/zinc/81/60/62/573816062.db2.gz RNXRXMCBHBBXLV-NEPJUHHUSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H](CC)C[C@H]([NH3+])C(C)C ZINC000043456502 573814988 /nfs/dbraw/zinc/81/49/88/573814988.db2.gz RNXRXMCBHBBXLV-RYUDHWBXSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@@H](CC)C[C@@H]([NH3+])C(C)C ZINC000043456504 573814786 /nfs/dbraw/zinc/81/47/86/573814786.db2.gz RNXRXMCBHBBXLV-VXGBXAGGSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H](CC)C[C@@H]([NH3+])C(C)C ZINC000043456506 573813769 /nfs/dbraw/zinc/81/37/69/573813769.db2.gz RNXRXMCBHBBXLV-NWDGAFQWSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@@H](CC)C[C@H]([NH3+])CCC ZINC000043456530 166916570 /nfs/dbraw/zinc/91/65/70/166916570.db2.gz DGSFBHURTTUSPT-VXGBXAGGSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@H](CC)C[C@H]([NH3+])CCC ZINC000043456532 573816579 /nfs/dbraw/zinc/81/65/79/573816579.db2.gz DGSFBHURTTUSPT-NWDGAFQWSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@@H](CC)C[C@@H]([NH3+])CCC ZINC000043456533 573812820 /nfs/dbraw/zinc/81/28/20/573812820.db2.gz DGSFBHURTTUSPT-NEPJUHHUSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@H](CC)C[C@@H]([NH3+])CCC ZINC000043456535 573812023 /nfs/dbraw/zinc/81/20/23/573812023.db2.gz DGSFBHURTTUSPT-RYUDHWBXSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@@H](CC)C[C@H]([NH2+]C)C(C)C ZINC000043456637 573814600 /nfs/dbraw/zinc/81/46/00/573814600.db2.gz DSENTVDNVVVFCU-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](CC)C[C@H]([NH2+]C)C(C)C ZINC000043456638 573815802 /nfs/dbraw/zinc/81/58/02/573815802.db2.gz DSENTVDNVVVFCU-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](CC)C[C@@H]([NH2+]C)C(C)C ZINC000043456640 573814993 /nfs/dbraw/zinc/81/49/93/573814993.db2.gz DSENTVDNVVVFCU-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](CC)C[C@@H]([NH2+]C)C(C)C ZINC000043456641 573816537 /nfs/dbraw/zinc/81/65/37/573816537.db2.gz DSENTVDNVVVFCU-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](CC)[NH2+]C ZINC000043456655 573815225 /nfs/dbraw/zinc/81/52/25/573815225.db2.gz VWCSIRGNWZSPGY-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](CC)C[C@@H](CC)[NH2+]C ZINC000043456657 166924119 /nfs/dbraw/zinc/92/41/19/166924119.db2.gz VWCSIRGNWZSPGY-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CC)C[C@H](CC)[NH2+]C ZINC000043456659 573815898 /nfs/dbraw/zinc/81/58/98/573815898.db2.gz VWCSIRGNWZSPGY-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](CC)C[C@H](CC)[NH2+]C ZINC000043456661 573815316 /nfs/dbraw/zinc/81/53/16/573815316.db2.gz VWCSIRGNWZSPGY-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](CC)[NH2+]CC ZINC000043456662 573813675 /nfs/dbraw/zinc/81/36/75/573813675.db2.gz TUBQAGIPIQFBEN-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)C[C@@H](CC)[NH2+]CC ZINC000043456664 573814019 /nfs/dbraw/zinc/81/40/19/573814019.db2.gz TUBQAGIPIQFBEN-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)C[C@H](CC)[NH2+]CC ZINC000043456666 573813997 /nfs/dbraw/zinc/81/39/97/573813997.db2.gz TUBQAGIPIQFBEN-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)C[C@H](CC)[NH2+]CC ZINC000043456668 166924850 /nfs/dbraw/zinc/92/48/50/166924850.db2.gz TUBQAGIPIQFBEN-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](C)[NH2+]CC ZINC000043456677 573814811 /nfs/dbraw/zinc/81/48/11/573814811.db2.gz HSUYUYFYFUTSIN-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](CC)C[C@@H](C)[NH2+]CC ZINC000043456679 166924790 /nfs/dbraw/zinc/92/47/90/166924790.db2.gz HSUYUYFYFUTSIN-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CC)C[C@H](C)[NH2+]CC ZINC000043456680 573816666 /nfs/dbraw/zinc/81/66/66/573816666.db2.gz HSUYUYFYFUTSIN-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](CC)C[C@H](C)[NH2+]CC ZINC000043456682 573814832 /nfs/dbraw/zinc/81/48/32/573814832.db2.gz HSUYUYFYFUTSIN-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](C)[NH2+]CCC ZINC000043456684 573816384 /nfs/dbraw/zinc/81/63/84/573816384.db2.gz TWIJRNHZIKNRAC-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)C[C@@H](C)[NH2+]CCC ZINC000043456685 166923775 /nfs/dbraw/zinc/92/37/75/166923775.db2.gz TWIJRNHZIKNRAC-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)C[C@H](C)[NH2+]CCC ZINC000043456686 573814699 /nfs/dbraw/zinc/81/46/99/573814699.db2.gz TWIJRNHZIKNRAC-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)C[C@H](C)[NH2+]CCC ZINC000043456688 573815868 /nfs/dbraw/zinc/81/58/68/573815868.db2.gz TWIJRNHZIKNRAC-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](CCC)[NH2+]C ZINC000043456689 573816697 /nfs/dbraw/zinc/81/66/97/573816697.db2.gz HRUDBDVLCBKFBN-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)C[C@@H](CCC)[NH2+]C ZINC000043456690 573811758 /nfs/dbraw/zinc/81/17/58/573811758.db2.gz HRUDBDVLCBKFBN-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)C[C@H](CCC)[NH2+]C ZINC000043456692 573814708 /nfs/dbraw/zinc/81/47/08/573814708.db2.gz HRUDBDVLCBKFBN-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)C[C@H](CCC)[NH2+]C ZINC000043456694 573816359 /nfs/dbraw/zinc/81/63/59/573816359.db2.gz HRUDBDVLCBKFBN-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)C[C@H]([NH2+]C)C1CC1 ZINC000043456696 573816731 /nfs/dbraw/zinc/81/67/31/573816731.db2.gz RRBUCDIVGPKLRP-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](CC)C[C@H]([NH2+]C)C1CC1 ZINC000043456697 166923798 /nfs/dbraw/zinc/92/37/98/166923798.db2.gz RRBUCDIVGPKLRP-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)C[C@@H]([NH2+]C)C1CC1 ZINC000043456699 166917997 /nfs/dbraw/zinc/91/79/97/166917997.db2.gz RRBUCDIVGPKLRP-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](CC)C[C@@H]([NH2+]C)C1CC1 ZINC000043456701 573813600 /nfs/dbraw/zinc/81/36/00/573813600.db2.gz RRBUCDIVGPKLRP-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC(C)(C)C1CCC(CC[NH3+])CC1 ZINC000043559355 572199407 /nfs/dbraw/zinc/19/94/07/572199407.db2.gz MWRKCCVCAUOSDG-UHFFFAOYSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCC[C@H]([NH2+]CC)c1ccco1 ZINC000043608039 573859920 /nfs/dbraw/zinc/85/99/20/573859920.db2.gz NHQITCIJXNTWBJ-NSHDSACASA-N 1 0 195.306 3.511 10 0 AHAERO CCCCC[C@@H]([NH2+]CC)c1ccco1 ZINC000043608042 573859586 /nfs/dbraw/zinc/85/95/86/573859586.db2.gz NHQITCIJXNTWBJ-LLVKDONJSA-N 1 0 195.306 3.511 10 0 AHAERO CCCC[C@H]([NH2+]CCC)c1ccco1 ZINC000043608593 573847160 /nfs/dbraw/zinc/84/71/60/573847160.db2.gz ARRQLCOCWBESQZ-NSHDSACASA-N 1 0 195.306 3.511 10 0 AHAERO CCCC[C@@H]([NH2+]CCC)c1ccco1 ZINC000043608596 166920939 /nfs/dbraw/zinc/92/09/39/166920939.db2.gz ARRQLCOCWBESQZ-LLVKDONJSA-N 1 0 195.306 3.511 10 0 AHAERO CC(C)(C)CC[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000043650290 572204160 /nfs/dbraw/zinc/20/41/60/572204160.db2.gz FYPXFCTWLRKZKE-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CC[C@H]1CCCCC[C@@H]1[NH3+] ZINC000043650292 572204042 /nfs/dbraw/zinc/20/40/42/572204042.db2.gz FYPXFCTWLRKZKE-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CC[C@@H]1CCCCC[C@H]1[NH3+] ZINC000043650293 572204793 /nfs/dbraw/zinc/20/47/93/572204793.db2.gz FYPXFCTWLRKZKE-NWDGAFQWSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CC[C@H]1CCCCC[C@H]1[NH3+] ZINC000043650295 572205126 /nfs/dbraw/zinc/20/51/26/572205126.db2.gz FYPXFCTWLRKZKE-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO C[NH2+][C@H]1CCCCC[C@H]1CCC(C)C ZINC000043650668 573851019 /nfs/dbraw/zinc/85/10/19/573851019.db2.gz BJSQUTWHIJTPQJ-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H]1CCCCC[C@@H]1CCC(C)C ZINC000043650670 573852859 /nfs/dbraw/zinc/85/28/59/573852859.db2.gz BJSQUTWHIJTPQJ-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H]1CCCCC[C@H]1CCC(C)C ZINC000043650672 573851262 /nfs/dbraw/zinc/85/12/62/573851262.db2.gz BJSQUTWHIJTPQJ-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H]1CCCCC[C@@H]1CCC(C)C ZINC000043650674 573854921 /nfs/dbraw/zinc/85/49/21/573854921.db2.gz BJSQUTWHIJTPQJ-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCCCC[C@H]1CCC ZINC000043651188 573854163 /nfs/dbraw/zinc/85/41/63/573854163.db2.gz ZJSULHARTYHAKB-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@H]1CCCCC[C@@H]1CCC ZINC000043651189 573850897 /nfs/dbraw/zinc/85/08/97/573850897.db2.gz ZJSULHARTYHAKB-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H]1CCCCC[C@H]1CCC ZINC000043651190 573850969 /nfs/dbraw/zinc/85/09/69/573850969.db2.gz ZJSULHARTYHAKB-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1CCC ZINC000043651191 573854179 /nfs/dbraw/zinc/85/41/79/573854179.db2.gz ZJSULHARTYHAKB-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO C[C@@H]1CC[C@H]([NH3+])[C@H](CCC(C)(C)C)C1 ZINC000043652456 572206185 /nfs/dbraw/zinc/20/61/85/572206185.db2.gz JZBKMRVJQNGSNY-UTUOFQBUSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](CCC(C)(C)C)C1 ZINC000043652458 572205215 /nfs/dbraw/zinc/20/52/15/572205215.db2.gz JZBKMRVJQNGSNY-IJLUTSLNSA-N 1 0 197.366 3.576 10 0 AHAERO CCCCC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C ZINC000043652910 573860203 /nfs/dbraw/zinc/86/02/03/573860203.db2.gz QWXSAFWDWYZAKP-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]C ZINC000043652911 573860035 /nfs/dbraw/zinc/86/00/35/573860035.db2.gz QWXSAFWDWYZAKP-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C ZINC000043652912 573858287 /nfs/dbraw/zinc/85/82/87/573858287.db2.gz QWXSAFWDWYZAKP-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]C ZINC000043652913 573858184 /nfs/dbraw/zinc/85/81/84/573858184.db2.gz QWXSAFWDWYZAKP-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC ZINC000043653292 573856374 /nfs/dbraw/zinc/85/63/74/573856374.db2.gz HXRQCNIDDJCAPJ-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CC ZINC000043653293 573858576 /nfs/dbraw/zinc/85/85/76/573858576.db2.gz HXRQCNIDDJCAPJ-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC ZINC000043653294 573859793 /nfs/dbraw/zinc/85/97/93/573859793.db2.gz HXRQCNIDDJCAPJ-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC ZINC000043653295 573858366 /nfs/dbraw/zinc/85/83/66/573858366.db2.gz HXRQCNIDDJCAPJ-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1CCC ZINC000043653403 167002804 /nfs/dbraw/zinc/00/28/04/167002804.db2.gz YOKLRPGUTBSVGT-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CCC ZINC000043653405 167004026 /nfs/dbraw/zinc/00/40/26/167004026.db2.gz YOKLRPGUTBSVGT-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](CCC(C)C)C1 ZINC000043654301 572241923 /nfs/dbraw/zinc/24/19/23/572241923.db2.gz RQZUDZRPVUHABI-UPJWGTAASA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](CCC(C)C)C1 ZINC000043654304 572241752 /nfs/dbraw/zinc/24/17/52/572241752.db2.gz RQZUDZRPVUHABI-JHJVBQTASA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@@H]1C[C@H](CC)CC[C@@H]1[NH2+]C ZINC000043654705 166918959 /nfs/dbraw/zinc/91/89/59/166918959.db2.gz RTDZVUQKEFNCRI-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]1C[C@H](CC)CC[C@@H]1[NH2+]C ZINC000043654706 573857901 /nfs/dbraw/zinc/85/79/01/573857901.db2.gz RTDZVUQKEFNCRI-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1[NH2+]C ZINC000043654707 573856960 /nfs/dbraw/zinc/85/69/60/573856960.db2.gz RTDZVUQKEFNCRI-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]1C[C@@H](CC)CC[C@@H]1[NH2+]C ZINC000043654708 573859256 /nfs/dbraw/zinc/85/92/56/573859256.db2.gz RTDZVUQKEFNCRI-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1C[C@H](CC)CC[C@@H]1[NH2+]CC ZINC000043654821 167056195 /nfs/dbraw/zinc/05/61/95/167056195.db2.gz FODHEOSIBQOLEE-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]1C[C@H](CC)CC[C@@H]1[NH2+]CC ZINC000043654823 167089815 /nfs/dbraw/zinc/08/98/15/167089815.db2.gz FODHEOSIBQOLEE-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1C[C@@H](CC)CC[C@@H]1[NH2+]CC ZINC000043654825 167055267 /nfs/dbraw/zinc/05/52/67/167055267.db2.gz FODHEOSIBQOLEE-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]1C[C@@H](CC)CC[C@@H]1[NH2+]CC ZINC000043654827 167091850 /nfs/dbraw/zinc/09/18/50/167091850.db2.gz FODHEOSIBQOLEE-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1CC[C@H]([NH3+])[C@H](CC(C)C)C1 ZINC000043654979 572239843 /nfs/dbraw/zinc/23/98/43/572239843.db2.gz NGRZOKXWRCGSOR-UPJWGTAASA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H]1CC[C@@H]([NH3+])[C@H](CC(C)C)C1 ZINC000043654981 572240121 /nfs/dbraw/zinc/24/01/21/572240121.db2.gz NGRZOKXWRCGSOR-JHJVBQTASA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H]1CC[C@H]([NH2+]C)[C@H](CCC)C1 ZINC000043655143 572241016 /nfs/dbraw/zinc/24/10/16/572241016.db2.gz RHJKJYRSWNOJIY-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1CC[C@@H]([NH2+]C)[C@H](CCC)C1 ZINC000043655145 572240444 /nfs/dbraw/zinc/24/04/44/572240444.db2.gz RHJKJYRSWNOJIY-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1CC[C@H]([NH2+]CC)[C@H](CC)C1 ZINC000043655168 572242076 /nfs/dbraw/zinc/24/20/76/572242076.db2.gz QJKIQLHSLOAMJL-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1CC[C@@H]([NH2+]CC)[C@H](CC)C1 ZINC000043655172 572240741 /nfs/dbraw/zinc/24/07/41/572240741.db2.gz QJKIQLHSLOAMJL-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@@H](CCC)C[C@H]1C ZINC000043655229 572241581 /nfs/dbraw/zinc/24/15/81/572241581.db2.gz PHJBLXYYSIAWLZ-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@H](CCC)C[C@H]1C ZINC000043655230 572241127 /nfs/dbraw/zinc/24/11/27/572241127.db2.gz PHJBLXYYSIAWLZ-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000043655320 167055479 /nfs/dbraw/zinc/05/54/79/167055479.db2.gz QZWWGENPGVIDHJ-UTUOFQBUSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000043655322 167091710 /nfs/dbraw/zinc/09/17/10/167091710.db2.gz QZWWGENPGVIDHJ-TUAOUCFPSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000043655324 167057123 /nfs/dbraw/zinc/05/71/23/167057123.db2.gz QZWWGENPGVIDHJ-WOPDTQHZSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000043655326 167090169 /nfs/dbraw/zinc/09/01/69/167090169.db2.gz QZWWGENPGVIDHJ-SRVKXCTJSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]([NH3+])CC1=C(C)CCCC1(C)C ZINC000044400292 572412528 /nfs/dbraw/zinc/41/25/28/572412528.db2.gz BELFULHBOXULMY-NSHDSACASA-N 1 0 195.350 3.640 10 0 AHAERO CC[C@@H]([NH3+])CC1=C(C)CCCC1(C)C ZINC000044400294 572413855 /nfs/dbraw/zinc/41/38/55/572413855.db2.gz BELFULHBOXULMY-LLVKDONJSA-N 1 0 195.350 3.640 10 0 AHAERO CC[C@H]([NH3+])CC[C@H]1CCCC(C)(C)C1 ZINC000044409703 573910303 /nfs/dbraw/zinc/91/03/03/573910303.db2.gz DIEGRZQWVMQDCD-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[NH2+][C@H](CC)c1sccc1C ZINC000044415640 167000296 /nfs/dbraw/zinc/00/02/96/167000296.db2.gz KPYUSAIFKLMQPZ-SNVBAGLBSA-N 1 0 197.347 3.507 10 0 AHAERO CCCCC[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000044468282 166874675 /nfs/dbraw/zinc/87/46/75/166874675.db2.gz XLPSAFGRPAAKFS-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H]1CCCCC[C@@H]1[NH2+]C ZINC000044468285 573904520 /nfs/dbraw/zinc/90/45/20/573904520.db2.gz XLPSAFGRPAAKFS-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@@H]1CCCCC[C@H]1[NH2+]C ZINC000044468288 573902608 /nfs/dbraw/zinc/90/26/08/573902608.db2.gz XLPSAFGRPAAKFS-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H]1CCCCC[C@H]1[NH2+]C ZINC000044468291 573903340 /nfs/dbraw/zinc/90/33/40/573903340.db2.gz XLPSAFGRPAAKFS-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1CC ZINC000044469174 166999111 /nfs/dbraw/zinc/99/91/11/166999111.db2.gz CVIPGOFCMFIWOI-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1CC ZINC000044469176 167003881 /nfs/dbraw/zinc/00/38/81/167003881.db2.gz CVIPGOFCMFIWOI-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1CC ZINC000044469179 573903757 /nfs/dbraw/zinc/90/37/57/573903757.db2.gz CVIPGOFCMFIWOI-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1CC ZINC000044469182 167004119 /nfs/dbraw/zinc/00/41/19/167004119.db2.gz CVIPGOFCMFIWOI-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+]CC)[C@@H]1CCC[C@H](C)C1 ZINC000044981171 572244529 /nfs/dbraw/zinc/24/45/29/572244529.db2.gz AUSLISXDVIERPB-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+]CC)[C@H]1CCC[C@H](C)C1 ZINC000044981175 572245488 /nfs/dbraw/zinc/24/54/88/572245488.db2.gz AUSLISXDVIERPB-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC)[C@@H]1CCC[C@H](C)C1 ZINC000044981253 572245306 /nfs/dbraw/zinc/24/53/06/572245306.db2.gz VWFNGKHUWBJFMR-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC)[C@H]1CCC[C@H](C)C1 ZINC000044981257 572245308 /nfs/dbraw/zinc/24/53/08/572245308.db2.gz VWFNGKHUWBJFMR-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+]CC)C1CCC(C)CC1 ZINC000044983871 573940175 /nfs/dbraw/zinc/94/01/75/573940175.db2.gz GTMCXARPFRQZHD-BPCQOVAHSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]([NH2+]CC)C1CCC(C)CC1 ZINC000044983873 573938600 /nfs/dbraw/zinc/93/86/00/573938600.db2.gz GTMCXARPFRQZHD-WXRRBKDZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC)C1CCC(C)CC1 ZINC000044983911 573939049 /nfs/dbraw/zinc/93/90/49/573939049.db2.gz GAIORLAQTQWPBX-BPCQOVAHSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC)C1CCC(C)CC1 ZINC000044983913 573938619 /nfs/dbraw/zinc/93/86/19/573938619.db2.gz GAIORLAQTQWPBX-WXRRBKDZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[NH2+]C1(C)CCCCC1 ZINC000045042078 573943408 /nfs/dbraw/zinc/94/34/08/573943408.db2.gz YTSGIZNKPRFAIG-UHFFFAOYSA-N 1 0 197.366 3.879 10 0 AHAERO CCC(CC)C[NH2+]C1(C)CCCCC1 ZINC000045042392 573945168 /nfs/dbraw/zinc/94/51/68/573945168.db2.gz DBLAVLQDDZAVLZ-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](C)C[NH2+]C1(C)CCCCC1 ZINC000045042508 167028937 /nfs/dbraw/zinc/02/89/37/167028937.db2.gz RYWAPHSNJSJCPM-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](C)C[NH2+]C1(C)CCCCC1 ZINC000045042511 573942797 /nfs/dbraw/zinc/94/27/97/573942797.db2.gz RYWAPHSNJSJCPM-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@@H](C)[NH2+][C@@H]1CC1(C)C ZINC000045115309 166854583 /nfs/dbraw/zinc/85/45/83/166854583.db2.gz KXTNVZSCOWHQSX-VXGBXAGGSA-N 1 0 197.366 3.733 10 0 AHAERO CCCCCC[C@H](C)[NH2+][C@@H]1CC1(C)C ZINC000045115311 573955826 /nfs/dbraw/zinc/95/58/26/573955826.db2.gz KXTNVZSCOWHQSX-NWDGAFQWSA-N 1 0 197.366 3.733 10 0 AHAERO CCCCCC[C@@H](C)[NH2+][C@H]1CC1(C)C ZINC000045115313 573956944 /nfs/dbraw/zinc/95/69/44/573956944.db2.gz KXTNVZSCOWHQSX-NEPJUHHUSA-N 1 0 197.366 3.733 10 0 AHAERO CCCCCC[C@H](C)[NH2+][C@H]1CC1(C)C ZINC000045115315 573956709 /nfs/dbraw/zinc/95/67/09/573956709.db2.gz KXTNVZSCOWHQSX-RYUDHWBXSA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CC1(C)C ZINC000045115343 573956596 /nfs/dbraw/zinc/95/65/96/573956596.db2.gz SMLKXGCONIGQRR-IJLUTSLNSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CC1(C)C ZINC000045115344 167602874 /nfs/dbraw/zinc/60/28/74/167602874.db2.gz SMLKXGCONIGQRR-QJPTWQEYSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CC1(C)C ZINC000045115346 573957780 /nfs/dbraw/zinc/95/77/80/573957780.db2.gz SMLKXGCONIGQRR-GRYCIOLGSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC1(C)C ZINC000045115349 573954449 /nfs/dbraw/zinc/95/44/49/573954449.db2.gz SMLKXGCONIGQRR-SDDRHHMPSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@@H](CC)C[NH2+][C@@H]1CC1(C)C ZINC000045119151 166913676 /nfs/dbraw/zinc/91/36/76/166913676.db2.gz WCORUTLNGLKAOH-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](CC)C[NH2+][C@@H]1CC1(C)C ZINC000045119152 573953299 /nfs/dbraw/zinc/95/32/99/573953299.db2.gz WCORUTLNGLKAOH-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)C[NH2+][C@H]1CC1(C)C ZINC000045119154 573953439 /nfs/dbraw/zinc/95/34/39/573953439.db2.gz WCORUTLNGLKAOH-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](CC)C[NH2+][C@H]1CC1(C)C ZINC000045119156 573951517 /nfs/dbraw/zinc/95/15/17/573951517.db2.gz WCORUTLNGLKAOH-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](CCC1CCCC1)[NH2+]CC ZINC000048733105 167040982 /nfs/dbraw/zinc/04/09/82/167040982.db2.gz SYJYFTQMVXWTLY-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](CCC1CCCC1)[NH2+]CC ZINC000048733108 167075536 /nfs/dbraw/zinc/07/55/36/167075536.db2.gz SYJYFTQMVXWTLY-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)(C)CCC[C@H]([NH3+])C(C)(C)C ZINC000049255548 166351203 /nfs/dbraw/zinc/35/12/03/166351203.db2.gz NVBNTMLWYQGXQL-JTQLQIEISA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)(C)CCC[C@@H]([NH3+])C(C)(C)C ZINC000049255551 574026216 /nfs/dbraw/zinc/02/62/16/574026216.db2.gz NVBNTMLWYQGXQL-SNVBAGLBSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[NH2+][C@@H](C)CCCC(C)(C)C ZINC000049255590 574026791 /nfs/dbraw/zinc/02/67/91/574026791.db2.gz QFZZCWGJTLLVEH-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@H](C)CCCC(C)(C)C ZINC000049255593 572746764 /nfs/dbraw/zinc/74/67/64/572746764.db2.gz QFZZCWGJTLLVEH-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](CCCC(C)(C)C)[NH2+]C ZINC000049255596 167040518 /nfs/dbraw/zinc/04/05/18/167040518.db2.gz OKUYTUXGQXKEGI-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](CCCC(C)(C)C)[NH2+]C ZINC000049255599 574026330 /nfs/dbraw/zinc/02/63/30/574026330.db2.gz OKUYTUXGQXKEGI-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](CCCC(C)(C)C)[NH2+]CC ZINC000049255602 574026286 /nfs/dbraw/zinc/02/62/86/574026286.db2.gz STTFLAUNTRVFTL-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](CCCC(C)(C)C)[NH2+]CC ZINC000049255605 574027118 /nfs/dbraw/zinc/02/71/18/574027118.db2.gz STTFLAUNTRVFTL-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO C[NH2+][C@@H](CCCC(C)(C)C)C(C)(C)C ZINC000049255608 574027214 /nfs/dbraw/zinc/02/72/14/574027214.db2.gz SRVXHEMYJPNPJF-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@H](CCCC(C)(C)C)C(C)(C)C ZINC000049255611 574027172 /nfs/dbraw/zinc/02/71/72/574027172.db2.gz SRVXHEMYJPNPJF-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC)CCCC(C)(C)C ZINC000049255620 574026824 /nfs/dbraw/zinc/02/68/24/574026824.db2.gz BWPNJLSDGWQQMA-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@H](CC)CCCC(C)(C)C ZINC000049255623 574025250 /nfs/dbraw/zinc/02/52/50/574025250.db2.gz BWPNJLSDGWQQMA-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC)CCCC(C)(C)C ZINC000049255626 574025154 /nfs/dbraw/zinc/02/51/54/574025154.db2.gz MRCNSJRUGQZBIK-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@H](CC)CCCC(C)(C)C ZINC000049255629 167000657 /nfs/dbraw/zinc/00/06/57/167000657.db2.gz MRCNSJRUGQZBIK-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CC[NH2+][C@@H](CCCC(C)(C)C)C(C)C ZINC000049255637 574027144 /nfs/dbraw/zinc/02/71/44/574027144.db2.gz DKPIYJNRBDPVLQ-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CCCC(C)(C)C)C(C)C ZINC000049255640 574027361 /nfs/dbraw/zinc/02/73/61/574027361.db2.gz DKPIYJNRBDPVLQ-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C)[C@@H](C)CCC(C)(C)C ZINC000049255665 574026232 /nfs/dbraw/zinc/02/62/32/574026232.db2.gz JUCTWZDHUMLNTP-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)[C@@H](C)CCC(C)(C)C ZINC000049255668 574026490 /nfs/dbraw/zinc/02/64/90/574026490.db2.gz JUCTWZDHUMLNTP-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C)[C@H](C)CCC(C)(C)C ZINC000049255671 166995583 /nfs/dbraw/zinc/99/55/83/166995583.db2.gz JUCTWZDHUMLNTP-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)[C@H](C)CCC(C)(C)C ZINC000049255674 574026016 /nfs/dbraw/zinc/02/60/16/574026016.db2.gz JUCTWZDHUMLNTP-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)[C@@H](CC)CCC(C)(C)C ZINC000049255699 574026627 /nfs/dbraw/zinc/02/66/27/574026627.db2.gz JDUVDCISKHCCSQ-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)[C@H](CC)CCC(C)(C)C ZINC000049255702 167295588 /nfs/dbraw/zinc/29/55/88/167295588.db2.gz JDUVDCISKHCCSQ-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C)[C@@H](CC)CCC(C)(C)C ZINC000049255705 574024960 /nfs/dbraw/zinc/02/49/60/574024960.db2.gz JDUVDCISKHCCSQ-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C)[C@H](CC)CCC(C)(C)C ZINC000049255707 574025441 /nfs/dbraw/zinc/02/54/41/574025441.db2.gz JDUVDCISKHCCSQ-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H]1CCC[C@@H]1CCC(C)(C)C ZINC000049255731 574025789 /nfs/dbraw/zinc/02/57/89/574025789.db2.gz CNNPBPGMTXUCPG-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCC[C@@H]1CCC(C)(C)C ZINC000049255734 167302177 /nfs/dbraw/zinc/30/21/77/167302177.db2.gz CNNPBPGMTXUCPG-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCC[C@H]1CCC(C)(C)C ZINC000049255737 167291640 /nfs/dbraw/zinc/29/16/40/167291640.db2.gz CNNPBPGMTXUCPG-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCC[C@H]1CCC(C)(C)C ZINC000049255740 574026539 /nfs/dbraw/zinc/02/65/39/574026539.db2.gz CNNPBPGMTXUCPG-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H]1CCCC[C@H]1CCC(C)(C)C ZINC000049255765 574026647 /nfs/dbraw/zinc/02/66/47/574026647.db2.gz LOLHXWWPUMWQAA-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H]1CCCC[C@@H]1CCC(C)(C)C ZINC000049255768 574026837 /nfs/dbraw/zinc/02/68/37/574026837.db2.gz LOLHXWWPUMWQAA-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H]1CCCC[C@H]1CCC(C)(C)C ZINC000049255770 574026962 /nfs/dbraw/zinc/02/69/62/574026962.db2.gz LOLHXWWPUMWQAA-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H]1CCCC[C@@H]1CCC(C)(C)C ZINC000049255773 168041319 /nfs/dbraw/zinc/04/13/19/168041319.db2.gz LOLHXWWPUMWQAA-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+]C(C)C)c1cccs1 ZINC000049541101 167081354 /nfs/dbraw/zinc/08/13/54/167081354.db2.gz USGYWKZUDBBNGQ-JTQLQIEISA-N 1 0 197.347 3.587 10 0 AHAERO CCC[C@@H]([NH2+]C(C)C)c1cccs1 ZINC000049541102 167048303 /nfs/dbraw/zinc/04/83/03/167048303.db2.gz USGYWKZUDBBNGQ-SNVBAGLBSA-N 1 0 197.347 3.587 10 0 AHAERO CC[NH2+][C@@H]1CCCCC[C@@H]1CC(C)C ZINC000049852008 167291281 /nfs/dbraw/zinc/29/12/81/167291281.db2.gz BSFLTDSJFFKEEI-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCCCC[C@@H]1CC(C)C ZINC000049852009 167300757 /nfs/dbraw/zinc/30/07/57/167300757.db2.gz BSFLTDSJFFKEEI-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCCCC[C@H]1CC(C)C ZINC000049852010 167290976 /nfs/dbraw/zinc/29/09/76/167290976.db2.gz BSFLTDSJFFKEEI-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCCCC[C@H]1CC(C)C ZINC000049852011 167301707 /nfs/dbraw/zinc/30/17/07/167301707.db2.gz BSFLTDSJFFKEEI-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1CCCCC[C@@H]1[NH2+]CC ZINC000049852038 166920659 /nfs/dbraw/zinc/92/06/59/166920659.db2.gz FMLPUKPJJVXHPQ-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H]1CCCCC[C@@H]1[NH2+]CC ZINC000049852039 573147013 /nfs/dbraw/zinc/14/70/13/573147013.db2.gz FMLPUKPJJVXHPQ-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H]1CCCCC[C@H]1[NH2+]CC ZINC000049852040 573148083 /nfs/dbraw/zinc/14/80/83/573148083.db2.gz FMLPUKPJJVXHPQ-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H]1CCCCC[C@H]1[NH2+]CC ZINC000049852041 573146297 /nfs/dbraw/zinc/14/62/97/573146297.db2.gz FMLPUKPJJVXHPQ-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO C[NH2+][C@@H](CC(C)(C)C)C1=CCCCC1 ZINC000050326331 573386544 /nfs/dbraw/zinc/38/65/44/573386544.db2.gz TYPHATNRHUTCKR-LBPRGKRZSA-N 1 0 195.350 3.511 10 0 AHAERO C[NH2+][C@H](CC(C)(C)C)C1=CCCCC1 ZINC000050326332 573386468 /nfs/dbraw/zinc/38/64/68/573386468.db2.gz TYPHATNRHUTCKR-GFCCVEGCSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC[C@H]([NH2+]CC)C1=CCCCC1 ZINC000050326479 573386367 /nfs/dbraw/zinc/38/63/67/573386367.db2.gz PMBGSJVTFJCIQQ-ZDUSSCGKSA-N 1 0 195.350 3.655 10 0 AHAERO CCCC[C@@H]([NH2+]CC)C1=CCCCC1 ZINC000050326480 573386459 /nfs/dbraw/zinc/38/64/59/573386459.db2.gz PMBGSJVTFJCIQQ-CYBMUJFWSA-N 1 0 195.350 3.655 10 0 AHAERO CCCC[C@H](CC)[C@H]([NH3+])C1=CCCC1 ZINC000050327052 572879931 /nfs/dbraw/zinc/87/99/31/572879931.db2.gz AVYJZPFTMGSGQG-AAEUAGOBSA-N 1 0 195.350 3.640 10 0 AHAERO CCCC[C@@H]([NH2+]CCC)C1=CCCC1 ZINC000050327901 572880448 /nfs/dbraw/zinc/88/04/48/572880448.db2.gz AIUDKZSZWUSLQY-CYBMUJFWSA-N 1 0 195.350 3.655 10 0 AHAERO CCC[NH2+][C@@H](C1=CCCC1)C(C)(C)C ZINC000050327936 572880074 /nfs/dbraw/zinc/88/00/74/572880074.db2.gz SZJQSIDTOICEBS-LBPRGKRZSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@H](C1=CCCC1)C(C)(C)C ZINC000050327937 167001001 /nfs/dbraw/zinc/00/10/01/167001001.db2.gz SZJQSIDTOICEBS-GFCCVEGCSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@H](CC(C)C)C1=CCCC1 ZINC000050328015 167001297 /nfs/dbraw/zinc/00/12/97/167001297.db2.gz UNMRSIXDSBOKKF-CYBMUJFWSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@H](C1=CCCC1)[C@@H](C)CC ZINC000050328029 166999691 /nfs/dbraw/zinc/99/96/91/166999691.db2.gz FUUYMBOEMQCREZ-AAEUAGOBSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@H](C1=CCCC1)[C@H](C)CC ZINC000050328031 167000679 /nfs/dbraw/zinc/00/06/79/167000679.db2.gz FUUYMBOEMQCREZ-YPMHNXCESA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)(C)C[C@H]([NH3+])C1=CCCCCC1 ZINC000050328290 343281808 /nfs/dbraw/zinc/28/18/08/343281808.db2.gz BXEQLBFQFNGCIO-LBPRGKRZSA-N 1 0 195.350 3.640 10 0 AHAERO CC(C)(C)C[C@@H]([NH3+])C1=CCCCCC1 ZINC000050328291 343281731 /nfs/dbraw/zinc/28/17/31/343281731.db2.gz BXEQLBFQFNGCIO-GFCCVEGCSA-N 1 0 195.350 3.640 10 0 AHAERO C[NH2+][C@H](C1=CCCCCC1)C(C)(C)C ZINC000050328420 343281775 /nfs/dbraw/zinc/28/17/75/343281775.db2.gz GVILQNKVIPNSSQ-GFCCVEGCSA-N 1 0 195.350 3.511 10 0 AHAERO C[NH2+][C@@H](C1=CCCCCC1)C(C)(C)C ZINC000050328421 343281715 /nfs/dbraw/zinc/28/17/15/343281715.db2.gz GVILQNKVIPNSSQ-LBPRGKRZSA-N 1 0 195.350 3.511 10 0 AHAERO CCCCCC[NH2+][C@@H](CC)CCC ZINC000050399698 171156161 /nfs/dbraw/zinc/15/61/61/171156161.db2.gz PDXBLPVRMJUKBN-LBPRGKRZSA-N 1 0 185.355 3.735 10 0 AHAERO CCCCCC[NH2+][C@H](CC)CCC ZINC000050399701 171155688 /nfs/dbraw/zinc/15/56/88/171155688.db2.gz PDXBLPVRMJUKBN-GFCCVEGCSA-N 1 0 185.355 3.735 10 0 AHAERO CCC[C@@H](CC)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000050400034 573414642 /nfs/dbraw/zinc/41/46/42/573414642.db2.gz JOWVQZLCOBAEEV-YNEHKIRRSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@@H](CC)[NH2+][C@H]1CCCC[C@@H]1C ZINC000050400038 167041171 /nfs/dbraw/zinc/04/11/71/167041171.db2.gz JOWVQZLCOBAEEV-XQQFMLRXSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@@H](CC)[NH2+]CC(CC)CC ZINC000050400100 167042323 /nfs/dbraw/zinc/04/23/23/167042323.db2.gz CVFMWQHWLXUJPL-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](CC)[NH2+]CC(CC)CC ZINC000050400103 167076789 /nfs/dbraw/zinc/07/67/89/167076789.db2.gz CVFMWQHWLXUJPL-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](CC)[NH2+]CC1CCCCC1 ZINC000050400105 167042531 /nfs/dbraw/zinc/04/25/31/167042531.db2.gz ZQBYYIQECXDQPT-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](CC)[NH2+]CC1CCCCC1 ZINC000050400107 167076761 /nfs/dbraw/zinc/07/67/61/167076761.db2.gz ZQBYYIQECXDQPT-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](CC)[NH2+][C@@H](C)CC(C)C ZINC000050400445 167041713 /nfs/dbraw/zinc/04/17/13/167041713.db2.gz GWVVTTNYWQSNGZ-NWDGAFQWSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@H](CC)[NH2+][C@@H](C)CC(C)C ZINC000050400447 167076422 /nfs/dbraw/zinc/07/64/22/167076422.db2.gz GWVVTTNYWQSNGZ-RYUDHWBXSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@@H](CC)[NH2+][C@H](C)CC(C)C ZINC000050400450 167041663 /nfs/dbraw/zinc/04/16/63/167041663.db2.gz GWVVTTNYWQSNGZ-VXGBXAGGSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@H](CC)[NH2+][C@H](C)CC(C)C ZINC000050400451 167076235 /nfs/dbraw/zinc/07/62/35/167076235.db2.gz GWVVTTNYWQSNGZ-NEPJUHHUSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@@H](CC)[NH2+][C@@H](C)CCC(C)C ZINC000050400852 167041667 /nfs/dbraw/zinc/04/16/67/167041667.db2.gz DHZAHVWFTARPBZ-QWHCGFSZSA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@H](CC)[NH2+][C@@H](C)CCC(C)C ZINC000050400854 167076343 /nfs/dbraw/zinc/07/63/43/167076343.db2.gz DHZAHVWFTARPBZ-STQMWFEESA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@@H](CC)[NH2+][C@H](C)CCC(C)C ZINC000050400856 167041683 /nfs/dbraw/zinc/04/16/83/167041683.db2.gz DHZAHVWFTARPBZ-CHWSQXEVSA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@H](CC)[NH2+][C@H](C)CCC(C)C ZINC000050400858 167076197 /nfs/dbraw/zinc/07/61/97/167076197.db2.gz DHZAHVWFTARPBZ-OLZOCXBDSA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@@H](C)C[NH2+][C@@H](CC)CCC ZINC000050400943 167075862 /nfs/dbraw/zinc/07/58/62/167075862.db2.gz DTVGACQKEGIOIU-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](C)C[NH2+][C@@H](CC)CCC ZINC000050400945 167065587 /nfs/dbraw/zinc/06/55/87/167065587.db2.gz DTVGACQKEGIOIU-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](C)C[NH2+][C@H](CC)CCC ZINC000050400947 167029979 /nfs/dbraw/zinc/02/99/79/167029979.db2.gz DTVGACQKEGIOIU-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](CC)[NH2+]C[C@@H](C)CCC ZINC000050400949 167065546 /nfs/dbraw/zinc/06/55/46/167065546.db2.gz DTVGACQKEGIOIU-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](CC)[NH2+][C@@H](C)[C@@H](C)CC ZINC000050401008 167041544 /nfs/dbraw/zinc/04/15/44/167041544.db2.gz JUKCLOQODQWLBV-SDDRHHMPSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@H](CC)[NH2+][C@@H](C)[C@@H](C)CC ZINC000050401010 167075128 /nfs/dbraw/zinc/07/51/28/167075128.db2.gz JUKCLOQODQWLBV-SRVKXCTJSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@@H](CC)[NH2+][C@H](C)[C@@H](C)CC ZINC000050401012 167042457 /nfs/dbraw/zinc/04/24/57/167042457.db2.gz JUKCLOQODQWLBV-QJPTWQEYSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@H](CC)[NH2+][C@H](C)[C@@H](C)CC ZINC000050401014 167075866 /nfs/dbraw/zinc/07/58/66/167075866.db2.gz JUKCLOQODQWLBV-TUAOUCFPSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@@H](CC)[NH2+][C@@H](CC)C(C)C ZINC000050402135 167041579 /nfs/dbraw/zinc/04/15/79/167041579.db2.gz CAYCBTXRFYJSHM-NEPJUHHUSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@H](CC)[NH2+][C@@H](CC)C(C)C ZINC000050402137 167075693 /nfs/dbraw/zinc/07/56/93/167075693.db2.gz CAYCBTXRFYJSHM-RYUDHWBXSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@@H](CC)[NH2+][C@H](CC)C(C)C ZINC000050402139 167042622 /nfs/dbraw/zinc/04/26/22/167042622.db2.gz CAYCBTXRFYJSHM-VXGBXAGGSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@H](CC)[NH2+][C@H](CC)C(C)C ZINC000050402141 167076942 /nfs/dbraw/zinc/07/69/42/167076942.db2.gz CAYCBTXRFYJSHM-NWDGAFQWSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@@H](CC)[NH2+]CCC(C)(C)C ZINC000050403396 167042401 /nfs/dbraw/zinc/04/24/01/167042401.db2.gz SSEIOCLMZOLMLG-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](CC)[NH2+]CCC(C)(C)C ZINC000050403399 167075941 /nfs/dbraw/zinc/07/59/41/167075941.db2.gz SSEIOCLMZOLMLG-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](CC[C@@H](C)CC)[NH2+]CC ZINC000050426129 167042702 /nfs/dbraw/zinc/04/27/02/167042702.db2.gz XHOQOPRFEUQHBA-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](CC[C@@H](C)CC)[NH2+]CC ZINC000050426131 167075279 /nfs/dbraw/zinc/07/52/79/167075279.db2.gz XHOQOPRFEUQHBA-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](CC[C@H](C)CC)[NH2+]CC ZINC000050426132 167042341 /nfs/dbraw/zinc/04/23/41/167042341.db2.gz XHOQOPRFEUQHBA-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](CC[C@H](C)CC)[NH2+]CC ZINC000050426135 167075936 /nfs/dbraw/zinc/07/59/36/167075936.db2.gz XHOQOPRFEUQHBA-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@@H]1C[C@@H](C)CC ZINC000050426274 573421498 /nfs/dbraw/zinc/42/14/98/573421498.db2.gz BJWNVEQAQQJDJI-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCC[C@@H]1C[C@@H](C)CC ZINC000050426275 573420324 /nfs/dbraw/zinc/42/03/24/573420324.db2.gz BJWNVEQAQQJDJI-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@H]1C[C@@H](C)CC ZINC000050426278 573423073 /nfs/dbraw/zinc/42/30/73/573423073.db2.gz BJWNVEQAQQJDJI-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCC[C@H]1C[C@@H](C)CC ZINC000050426280 573420477 /nfs/dbraw/zinc/42/04/77/573420477.db2.gz BJWNVEQAQQJDJI-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCCC[C@H]1C[C@@H](C)CC ZINC000050426297 573421089 /nfs/dbraw/zinc/42/10/89/573421089.db2.gz SJXSVMTWBBZSIB-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCCC[C@@H]1C[C@@H](C)CC ZINC000050426301 573418254 /nfs/dbraw/zinc/41/82/54/573418254.db2.gz SJXSVMTWBBZSIB-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000050426342 573420827 /nfs/dbraw/zinc/42/08/27/573420827.db2.gz UZLMRUPCSRKPDB-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000050426343 573423080 /nfs/dbraw/zinc/42/30/80/573423080.db2.gz UZLMRUPCSRKPDB-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[C@H]1CCCCC[C@@H]1[NH2+]C ZINC000050426345 573418711 /nfs/dbraw/zinc/41/87/11/573418711.db2.gz UZLMRUPCSRKPDB-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@H]1CCCCC[C@@H]1[NH2+]C ZINC000050426347 573420847 /nfs/dbraw/zinc/42/08/47/573420847.db2.gz UZLMRUPCSRKPDB-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] ZINC000050426362 572252662 /nfs/dbraw/zinc/25/26/62/572252662.db2.gz LOKUGAFTCTTWOE-LOWDOPEQSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000050426364 573422522 /nfs/dbraw/zinc/42/25/22/573422522.db2.gz LOKUGAFTCTTWOE-RVMXOQNASA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@@H]1C[C@H](CC)CC[C@H]1[NH3+] ZINC000050426366 572252056 /nfs/dbraw/zinc/25/20/56/572252056.db2.gz LOKUGAFTCTTWOE-UMSGYPCISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@@H]1C[C@@H](CC)CC[C@H]1[NH3+] ZINC000050426367 572252121 /nfs/dbraw/zinc/25/21/21/572252121.db2.gz LOKUGAFTCTTWOE-WUHRBBMRSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@@H](C)[NH2+]C[C@@H](C)CCC ZINC000050887163 573148293 /nfs/dbraw/zinc/14/82/93/573148293.db2.gz CSEWJQZIRDGYGO-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](C)[NH2+]C[C@@H](C)CCC ZINC000050887164 573145028 /nfs/dbraw/zinc/14/50/28/573145028.db2.gz CSEWJQZIRDGYGO-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](C)[NH2+]C[C@H](C)CCC ZINC000050887165 573143207 /nfs/dbraw/zinc/14/32/07/573143207.db2.gz CSEWJQZIRDGYGO-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](C)[NH2+]C[C@H](C)CCC ZINC000050887166 573144971 /nfs/dbraw/zinc/14/49/71/573144971.db2.gz CSEWJQZIRDGYGO-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@@H](C)CCCC ZINC000050887561 573186882 /nfs/dbraw/zinc/18/68/82/573186882.db2.gz JQJIAOYMJNFFQQ-TXEJJXNPSA-N 1 0 185.355 3.733 10 0 AHAERO CCCC[C@H](C)[NH2+][C@@H](C)CCCC ZINC000050887562 573187542 /nfs/dbraw/zinc/18/75/42/573187542.db2.gz JQJIAOYMJNFFQQ-RYUDHWBXSA-N 1 0 185.355 3.733 10 0 AHAERO CCCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC000050888163 573200636 /nfs/dbraw/zinc/20/06/36/573200636.db2.gz LFCRJPGZMJNGJJ-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](C)[NH2+]CCC(C)(C)C ZINC000050888164 573203006 /nfs/dbraw/zinc/20/30/06/573203006.db2.gz LFCRJPGZMJNGJJ-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](C)CC[C@H]([NH3+])C(C)(C)C ZINC000051321870 167028985 /nfs/dbraw/zinc/02/89/85/167028985.db2.gz FRAQQXTWWXCPNM-MNOVXSKESA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)CC[C@H]([NH3+])C(C)(C)C ZINC000051321872 167063991 /nfs/dbraw/zinc/06/39/91/167063991.db2.gz FRAQQXTWWXCPNM-QWRGUYRKSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H](C)CC[C@@H]([NH3+])C(C)(C)C ZINC000051321874 167029055 /nfs/dbraw/zinc/02/90/55/167029055.db2.gz FRAQQXTWWXCPNM-GHMZBOCLSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)CC[C@@H]([NH3+])C(C)(C)C ZINC000051321875 167063537 /nfs/dbraw/zinc/06/35/37/167063537.db2.gz FRAQQXTWWXCPNM-WDEREUQCSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[NH2+][C@H](C)CC[C@H](C)CCC ZINC000051321922 166999774 /nfs/dbraw/zinc/99/97/74/166999774.db2.gz ZEFLTRNQKDWHKQ-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@H](C)CC[C@@H](C)CCC ZINC000051321924 167000044 /nfs/dbraw/zinc/00/00/44/167000044.db2.gz ZEFLTRNQKDWHKQ-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)CC[C@H](C)CCC ZINC000051321926 171159105 /nfs/dbraw/zinc/15/91/05/171159105.db2.gz ZEFLTRNQKDWHKQ-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)CC[C@@H](C)CCC ZINC000051321928 171159110 /nfs/dbraw/zinc/15/91/10/171159110.db2.gz ZEFLTRNQKDWHKQ-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](C)CC[C@@H](CCC)[NH2+]C ZINC000051321930 167030185 /nfs/dbraw/zinc/03/01/85/167030185.db2.gz JUQCJQOHJSCUEX-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](CC[C@@H](C)CCC)[NH2+]C ZINC000051321932 167063308 /nfs/dbraw/zinc/06/33/08/167063308.db2.gz JUQCJQOHJSCUEX-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](C)CC[C@H](CCC)[NH2+]C ZINC000051321934 167042625 /nfs/dbraw/zinc/04/26/25/167042625.db2.gz JUQCJQOHJSCUEX-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](C)CC[C@H](CCC)[NH2+]C ZINC000051321936 167064379 /nfs/dbraw/zinc/06/43/79/167064379.db2.gz JUQCJQOHJSCUEX-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](C)CC[C@@H](CCC)[NH2+]CC ZINC000051321938 167029584 /nfs/dbraw/zinc/02/95/84/167029584.db2.gz GZQZYPWWGWRBPJ-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](CC[C@@H](C)CCC)[NH2+]CC ZINC000051321940 167064097 /nfs/dbraw/zinc/06/40/97/167064097.db2.gz GZQZYPWWGWRBPJ-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@@H](C)CC[C@H](CCC)[NH2+]CC ZINC000051321941 167042984 /nfs/dbraw/zinc/04/29/84/167042984.db2.gz GZQZYPWWGWRBPJ-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](C)CC[C@H](CCC)[NH2+]CC ZINC000051321943 167065764 /nfs/dbraw/zinc/06/57/64/167065764.db2.gz GZQZYPWWGWRBPJ-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@@H](C)CC[C@H]([NH2+]C)C(C)(C)C ZINC000051321945 167030346 /nfs/dbraw/zinc/03/03/46/167030346.db2.gz QWRBOMFQMXLBEP-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)CC[C@H]([NH2+]C)C(C)(C)C ZINC000051321947 167063257 /nfs/dbraw/zinc/06/32/57/167063257.db2.gz QWRBOMFQMXLBEP-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)CC[C@@H]([NH2+]C)C(C)(C)C ZINC000051321948 167029627 /nfs/dbraw/zinc/02/96/27/167029627.db2.gz QWRBOMFQMXLBEP-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)CC[C@@H]([NH2+]C)C(C)(C)C ZINC000051321950 167065604 /nfs/dbraw/zinc/06/56/04/167065604.db2.gz QWRBOMFQMXLBEP-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)CC[C@@H](CC)[NH2+]CC ZINC000051321958 167028669 /nfs/dbraw/zinc/02/86/69/167028669.db2.gz PVIXZXRIOLCYFZ-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](C)CC[C@@H](CC)[NH2+]CC ZINC000051321960 167065247 /nfs/dbraw/zinc/06/52/47/167065247.db2.gz PVIXZXRIOLCYFZ-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](C)CC[C@H](CC)[NH2+]CC ZINC000051321961 167030038 /nfs/dbraw/zinc/03/00/38/167030038.db2.gz PVIXZXRIOLCYFZ-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](C)CC[C@H](CC)[NH2+]CC ZINC000051321963 167064211 /nfs/dbraw/zinc/06/42/11/167064211.db2.gz PVIXZXRIOLCYFZ-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@H](C)[C@H](C)C[C@H](C)CCC ZINC000051322002 571674452 /nfs/dbraw/zinc/67/44/52/571674452.db2.gz VCVQCXVMUDUTSC-JHJVBQTASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)[C@@H](C)C[C@H](C)CCC ZINC000051322006 571674142 /nfs/dbraw/zinc/67/41/42/571674142.db2.gz VCVQCXVMUDUTSC-FRRDWIJNSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000051322091 571673611 /nfs/dbraw/zinc/67/36/11/571673611.db2.gz DWRPVVXFXBBVBO-LOWDOPEQSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H](C)CCC[NH2+]C(C)(C)C ZINC000052949510 167028435 /nfs/dbraw/zinc/02/84/35/167028435.db2.gz RTPBEHFOSJTMHI-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](C)CCC[NH2+]C(C)(C)C ZINC000052949512 167064033 /nfs/dbraw/zinc/06/40/33/167064033.db2.gz RTPBEHFOSJTMHI-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CC(C)(C)CCCC[NH2+]C(C)(C)C ZINC000052949558 166350620 /nfs/dbraw/zinc/35/06/20/166350620.db2.gz VIRFNEXCNAUZTN-UHFFFAOYSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](C)C[C@@]1([NH3+])CCC[C@H](C)C1 ZINC000053752183 571681945 /nfs/dbraw/zinc/68/19/45/571681945.db2.gz NWRZFMHQGYVMMA-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO C[C@@H]1CCC[C@]([NH3+])(CCC(C)(C)C)C1 ZINC000053752334 572540347 /nfs/dbraw/zinc/54/03/47/572540347.db2.gz HHBLVAHHQKYSED-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO C[C@H]1CCC[C@]([NH3+])(CCC(C)(C)C)C1 ZINC000053752335 572541008 /nfs/dbraw/zinc/54/10/08/572541008.db2.gz HHBLVAHHQKYSED-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO C[C@@H]1CCC[C@@]([NH3+])(CCC(C)(C)C)C1 ZINC000053752337 572540975 /nfs/dbraw/zinc/54/09/75/572540975.db2.gz HHBLVAHHQKYSED-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO C[C@H]1CCC[C@@]([NH3+])(CCC(C)(C)C)C1 ZINC000053752338 572540686 /nfs/dbraw/zinc/54/06/86/572540686.db2.gz HHBLVAHHQKYSED-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CC1CCC([NH3+])(CCC(C)(C)C)CC1 ZINC000053752609 572539416 /nfs/dbraw/zinc/53/94/16/572539416.db2.gz YJZPFFWOVNROKZ-UHFFFAOYSA-N 1 0 197.366 3.720 10 0 AHAERO [NH3+]C1(CC2CCCC2)CCCCCC1 ZINC000053752836 572540528 /nfs/dbraw/zinc/54/05/28/572540528.db2.gz RFYAKABFJPUKQS-UHFFFAOYSA-N 1 0 195.350 3.618 10 0 AHAERO CC(C)(C)CCC1([NH3+])CCCCCC1 ZINC000053752867 343316282 /nfs/dbraw/zinc/31/62/82/343316282.db2.gz IIAQHHQGRRATPZ-UHFFFAOYSA-N 1 0 197.366 3.864 10 0 AHAERO C[C@@H]1CCCC[C@]1([NH3+])CCC(C)(C)C ZINC000053753736 572541790 /nfs/dbraw/zinc/54/17/90/572541790.db2.gz OMMOIYAMRCFPGI-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO C[C@H]1CCCC[C@]1([NH3+])CCC(C)(C)C ZINC000053753739 572541029 /nfs/dbraw/zinc/54/10/29/572541029.db2.gz OMMOIYAMRCFPGI-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO C[C@@H]1CCCC[C@@]1([NH3+])CCC(C)(C)C ZINC000053753740 572539925 /nfs/dbraw/zinc/53/99/25/572539925.db2.gz OMMOIYAMRCFPGI-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO C[C@H]1CCCC[C@@]1([NH3+])CCC(C)(C)C ZINC000053753742 572539821 /nfs/dbraw/zinc/53/98/21/572539821.db2.gz OMMOIYAMRCFPGI-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)[C@](C)([NH3+])CCC(C)(C)C ZINC000053760456 572540682 /nfs/dbraw/zinc/54/06/82/572540682.db2.gz GJPYTYXMCIHJQQ-ZYHUDNBSSA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)(C)CC[C@H]([NH3+])c1cccs1 ZINC000053790538 572548207 /nfs/dbraw/zinc/54/82/07/572548207.db2.gz XGDDQHLPZVJLGI-VIFPVBQESA-N 1 0 197.347 3.574 10 0 AHAERO CC(C)(C)CC[C@H]([NH3+])c1ccsc1 ZINC000053817318 166350934 /nfs/dbraw/zinc/35/09/34/166350934.db2.gz ZITGSQIMAMPWIA-JTQLQIEISA-N 1 0 197.347 3.574 10 0 AHAERO CC(C)(C)CC[C@@H]([NH3+])c1ccsc1 ZINC000053817319 166350733 /nfs/dbraw/zinc/35/07/33/166350733.db2.gz ZITGSQIMAMPWIA-SNVBAGLBSA-N 1 0 197.347 3.574 10 0 AHAERO C[NH2+][C@@H](CC(C)C)CC1CCCCC1 ZINC000053824739 571684390 /nfs/dbraw/zinc/68/43/90/571684390.db2.gz GOZCDGPFCWMGFT-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](CC(C)C)CC1CCCCC1 ZINC000053824740 571684790 /nfs/dbraw/zinc/68/47/90/571684790.db2.gz GOZCDGPFCWMGFT-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC(C)C)C[C@@H](C)CC ZINC000053824944 572557393 /nfs/dbraw/zinc/55/73/93/572557393.db2.gz JWYWYGXCMZUQJY-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC1CCCCC1)C(C)C ZINC000053825322 571688139 /nfs/dbraw/zinc/68/81/39/571688139.db2.gz HJHNRGBOYZYPIV-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC1CCCCC1)C(C)C ZINC000053825323 571685373 /nfs/dbraw/zinc/68/53/73/571685373.db2.gz HJHNRGBOYZYPIV-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](CC1CCCCC1)[NH2+]CC ZINC000053827531 571686530 /nfs/dbraw/zinc/68/65/30/571686530.db2.gz IQSDPKFDWZALAD-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](CC1CCCCC1)[NH2+]CC ZINC000053827533 571686551 /nfs/dbraw/zinc/68/65/51/571686551.db2.gz IQSDPKFDWZALAD-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO C[NH2+][C@H](CC1CCCCC1)C(C)(C)C ZINC000053828283 571687920 /nfs/dbraw/zinc/68/79/20/571687920.db2.gz PSPLFXAKZOQFOF-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](CC1CCCCC1)C(C)(C)C ZINC000053828284 571687542 /nfs/dbraw/zinc/68/75/42/571687542.db2.gz PSPLFXAKZOQFOF-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC1CCCC1)C(C)(C)C ZINC000053828417 572556827 /nfs/dbraw/zinc/55/68/27/572556827.db2.gz BBAFSXJBHBGDOB-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]([NH2+][C@@H](C)C1CCCC1)C(C)C ZINC000054081141 486754891 /nfs/dbraw/zinc/75/48/91/486754891.db2.gz TVOBYDCLCFDQQZ-AAEUAGOBSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+][C@@H](C)C1CCCC1)C(C)C ZINC000054081143 486754851 /nfs/dbraw/zinc/75/48/51/486754851.db2.gz TVOBYDCLCFDQQZ-WCQYABFASA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]([NH2+][C@H](C)C1CCCC1)C(C)C ZINC000054081144 486754819 /nfs/dbraw/zinc/75/48/19/486754819.db2.gz TVOBYDCLCFDQQZ-YPMHNXCESA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+][C@H](C)C1CCCC1)C(C)C ZINC000054081146 486753969 /nfs/dbraw/zinc/75/39/69/486753969.db2.gz TVOBYDCLCFDQQZ-DGCLKSJQSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000054081517 486754797 /nfs/dbraw/zinc/75/47/97/486754797.db2.gz ZPQGKMWOUDKEEP-NEPJUHHUSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000054081518 486754921 /nfs/dbraw/zinc/75/49/21/486754921.db2.gz ZPQGKMWOUDKEEP-RYUDHWBXSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000054081520 486754441 /nfs/dbraw/zinc/75/44/41/486754441.db2.gz ZPQGKMWOUDKEEP-VXGBXAGGSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000054081522 486754357 /nfs/dbraw/zinc/75/43/57/486754357.db2.gz ZPQGKMWOUDKEEP-NWDGAFQWSA-N 1 0 197.366 3.733 10 0 AHAERO CCC(C)(C)[C@H]([NH3+])C1=CCCCCC1 ZINC000054403011 343323115 /nfs/dbraw/zinc/32/31/15/343323115.db2.gz UXOOCEKIYAURMG-GFCCVEGCSA-N 1 0 195.350 3.640 10 0 AHAERO CCC(C)(C)[C@@H]([NH3+])C1=CCCCCC1 ZINC000054403012 343322968 /nfs/dbraw/zinc/32/29/68/343322968.db2.gz UXOOCEKIYAURMG-LBPRGKRZSA-N 1 0 195.350 3.640 10 0 AHAERO CCC[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000054440348 343324224 /nfs/dbraw/zinc/32/42/24/343324224.db2.gz SUKSPGYZTMOVHL-AWEZNQCLSA-N 1 0 199.297 3.640 10 0 AHAERO CCC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000054440351 343324206 /nfs/dbraw/zinc/32/42/06/343324206.db2.gz SUKSPGYZTMOVHL-CQSZACIVSA-N 1 0 199.297 3.640 10 0 AHAERO CC(C)CC1([NH3+])CCC(C(C)C)CC1 ZINC000054557348 572698446 /nfs/dbraw/zinc/69/84/46/572698446.db2.gz OHONEXNFWOQBSY-UHFFFAOYSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC1(CCC)C[C@@H]1C[NH2+]C(C)C ZINC000054595120 572703605 /nfs/dbraw/zinc/70/36/05/572703605.db2.gz PRKBDJVRTZYBQO-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000054636221 572706746 /nfs/dbraw/zinc/70/67/46/572706746.db2.gz XSISOMAWTCDWTR-UHFFFAOYSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCCCC(CC)(CC)C[NH3+] ZINC000054636466 572706717 /nfs/dbraw/zinc/70/67/17/572706717.db2.gz OLCREKBNRLBDCY-UHFFFAOYSA-N 1 0 185.355 3.722 10 0 AHAERO C[NH2+]CC1(CCC(C)C)CCCCC1 ZINC000054654696 167990888 /nfs/dbraw/zinc/99/08/88/167990888.db2.gz ZQTJMFNFOSNBON-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC1(C[NH2+]CC(C)C)CCCCC1 ZINC000054655142 572707234 /nfs/dbraw/zinc/70/72/34/572707234.db2.gz SEDHTZFVZHGYSN-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@](C)(C[NH2+]C(C)C)CC(C)C ZINC000054656856 167092997 /nfs/dbraw/zinc/09/29/97/167092997.db2.gz MCTGJXYXRRZQST-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@](C)(C[NH2+]C(C)C)CC(C)C ZINC000054656859 167060214 /nfs/dbraw/zinc/06/02/14/167060214.db2.gz MCTGJXYXRRZQST-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@](C)(CC)C[NH2+]C(C)(C)C ZINC000054657195 572708328 /nfs/dbraw/zinc/70/83/28/572708328.db2.gz GTWUXLVHKLCJTI-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC(CC)(CC)C[NH2+]C ZINC000054658350 572709351 /nfs/dbraw/zinc/70/93/51/572709351.db2.gz JPXKQFXCHVXRKP-UHFFFAOYSA-N 1 0 185.355 3.593 10 0 AHAERO CCC[C@@H](C)CC(CC)(CC)C[NH2+]C ZINC000054658424 572711586 /nfs/dbraw/zinc/71/15/86/572711586.db2.gz ZCSQHKFEKJDAIO-GFCCVEGCSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCCC[C@@](C)(CC)C[NH2+]C ZINC000054660135 572710924 /nfs/dbraw/zinc/71/09/24/572710924.db2.gz QNIWNAJEHUDMOQ-GFCCVEGCSA-N 1 0 185.355 3.593 10 0 AHAERO CC[C@@H](C)C[C@@](C)(CC)C[NH2+]C1CC1 ZINC000054661354 572715570 /nfs/dbraw/zinc/71/55/70/572715570.db2.gz VCWRWMFCOAEFBV-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@](C)(C[NH2+]C(C)(C)C)CC(C)C ZINC000054661495 572716229 /nfs/dbraw/zinc/71/62/29/572716229.db2.gz QCPXUVNUAPHUSN-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO N#[N+]c1cccc(-c2ccccc2)c1 ZINC000060256713 572200342 /nfs/dbraw/zinc/20/03/42/572200342.db2.gz FKQQHPMVCMROME-UHFFFAOYSA-N 1 0 181.218 3.838 10 0 AHAERO C[C@H]1CC[C@H](C)[PH+]1C1CCCC1 ZINC000060290889 571799549 /nfs/dbraw/zinc/79/95/49/571799549.db2.gz WRXBGOZPYWMDEO-UWVGGRQHSA-N 1 0 184.263 3.982 10 0 AHAERO CCCCCC[C@H]([NH3+])CCC(C)C ZINC000060697915 572382237 /nfs/dbraw/zinc/38/22/37/572382237.db2.gz ACPLJPCPDFBQON-LBPRGKRZSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@@H](CCC(C)C)[NH2+]CC ZINC000060698280 572381984 /nfs/dbraw/zinc/38/19/84/572381984.db2.gz XTLRGABVYHYUMX-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CCC(C)C)[NH2+]CCC ZINC000060698394 572381875 /nfs/dbraw/zinc/38/18/75/572381875.db2.gz WYNUKBGFDWFLBN-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CC[NH2+][C@@H]1CCCCC[C@@H]1C(C)(C)C ZINC000060717113 572385600 /nfs/dbraw/zinc/38/56/00/572385600.db2.gz APRCUJPETWBMCV-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCCCC[C@@H]1C(C)(C)C ZINC000060717115 572386075 /nfs/dbraw/zinc/38/60/75/572386075.db2.gz APRCUJPETWBMCV-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCCCC[C@H]1C(C)(C)C ZINC000060717116 572383629 /nfs/dbraw/zinc/38/36/29/572383629.db2.gz APRCUJPETWBMCV-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCCCC[C@H]1C(C)(C)C ZINC000060717118 572385649 /nfs/dbraw/zinc/38/56/49/572385649.db2.gz APRCUJPETWBMCV-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(=[NH2+])Nc1ccccc1C(C)C ZINC000062988678 343392057 /nfs/dbraw/zinc/39/20/57/343392057.db2.gz OQNKDGGCPQVXKZ-UHFFFAOYSA-N 1 0 190.290 3.609 10 0 AHAERO CCC(=[NH2+])Nc1ccc(C(C)C)cc1 ZINC000062988827 343391990 /nfs/dbraw/zinc/39/19/90/343391990.db2.gz NMBHXCKROISUFB-UHFFFAOYSA-N 1 0 190.290 3.609 10 0 AHAERO CCCC(=[NH2+])Nc1ccccc1Cl ZINC000062989130 343392052 /nfs/dbraw/zinc/39/20/52/343392052.db2.gz PIPZLSIKJOQFTQ-UHFFFAOYSA-N 1 0 196.681 3.529 10 0 AHAERO CCC(CC)(CCC[NH3+])C1CCCC1 ZINC000068592298 343412074 /nfs/dbraw/zinc/41/20/74/343412074.db2.gz GVHYJBNGXJUFPA-UHFFFAOYSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCCC[C@H]([NH3+])CC(C)(C)C ZINC000068848044 571997722 /nfs/dbraw/zinc/99/77/22/571997722.db2.gz WMPGWDZARWMYIB-NSHDSACASA-N 1 0 185.355 3.720 10 0 AHAERO CCCCCC[C@@H]([NH3+])CC(C)(C)C ZINC000068848045 571998506 /nfs/dbraw/zinc/99/85/06/571998506.db2.gz WMPGWDZARWMYIB-LLVKDONJSA-N 1 0 185.355 3.720 10 0 AHAERO CCC[NH2+][C@@H](CC(C)C)CC(C)(C)C ZINC000068848615 571998420 /nfs/dbraw/zinc/99/84/20/571998420.db2.gz CUQGKVJSLIDHMZ-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CC(C)C)CC(C)(C)C ZINC000068848617 571997990 /nfs/dbraw/zinc/99/79/90/571997990.db2.gz CUQGKVJSLIDHMZ-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[NH2+][C@H](CC)CCCC ZINC000068985300 572012215 /nfs/dbraw/zinc/01/22/15/572012215.db2.gz XQOOJPBHYSHDGJ-GFCCVEGCSA-N 1 0 185.355 3.735 10 0 AHAERO CCCC[C@@H](CC)[NH2+][C@@H](C)CCC ZINC000068985314 572012975 /nfs/dbraw/zinc/01/29/75/572012975.db2.gz UVGGMHAELDQKND-NWDGAFQWSA-N 1 0 185.355 3.733 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@@H](C)CCC ZINC000068985317 572011975 /nfs/dbraw/zinc/01/19/75/572011975.db2.gz UVGGMHAELDQKND-RYUDHWBXSA-N 1 0 185.355 3.733 10 0 AHAERO CCCC[C@@H](CC)[NH2+][C@H](C)CCC ZINC000068985320 572013718 /nfs/dbraw/zinc/01/37/18/572013718.db2.gz UVGGMHAELDQKND-VXGBXAGGSA-N 1 0 185.355 3.733 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@H](C)CCC ZINC000068985323 572013921 /nfs/dbraw/zinc/01/39/21/572013921.db2.gz UVGGMHAELDQKND-NEPJUHHUSA-N 1 0 185.355 3.733 10 0 AHAERO CCCC[C@@H](CC)[NH2+][C@@H](C)C(C)C ZINC000068986077 486772777 /nfs/dbraw/zinc/77/27/77/486772777.db2.gz KKHREHRCYSGWNN-NWDGAFQWSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@@H](C)C(C)C ZINC000068986081 486772645 /nfs/dbraw/zinc/77/26/45/486772645.db2.gz KKHREHRCYSGWNN-RYUDHWBXSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@@H](CC)[NH2+][C@H](C)C(C)C ZINC000068986083 486772852 /nfs/dbraw/zinc/77/28/52/486772852.db2.gz KKHREHRCYSGWNN-VXGBXAGGSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@H](C)C(C)C ZINC000068986086 486772781 /nfs/dbraw/zinc/77/27/81/486772781.db2.gz KKHREHRCYSGWNN-NEPJUHHUSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@@H](CC)[NH2+]CC1CCCC1 ZINC000068986146 572012524 /nfs/dbraw/zinc/01/25/24/572012524.db2.gz FXJPCLXPZJBXNX-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H](CC)[NH2+]CC1CCCC1 ZINC000068986150 572014164 /nfs/dbraw/zinc/01/41/64/572014164.db2.gz FXJPCLXPZJBXNX-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H](CC)[NH2+][C@@H](C)CC(C)C ZINC000068986158 572012493 /nfs/dbraw/zinc/01/24/93/572012493.db2.gz NGALRPIHQXDSJY-QWHCGFSZSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@@H](C)CC(C)C ZINC000068986162 572014422 /nfs/dbraw/zinc/01/44/22/572014422.db2.gz NGALRPIHQXDSJY-STQMWFEESA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@@H](CC)[NH2+][C@H](C)CC(C)C ZINC000068986165 572012199 /nfs/dbraw/zinc/01/21/99/572012199.db2.gz NGALRPIHQXDSJY-CHWSQXEVSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@H](C)CC(C)C ZINC000068986168 572012013 /nfs/dbraw/zinc/01/20/13/572012013.db2.gz NGALRPIHQXDSJY-OLZOCXBDSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@@H](CC)[NH2+]CCCC(C)C ZINC000068986875 572012102 /nfs/dbraw/zinc/01/21/02/572012102.db2.gz DQMVXFCNFFEMCW-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)[NH2+]CCCC(C)C ZINC000068986877 572011782 /nfs/dbraw/zinc/01/17/82/572011782.db2.gz DQMVXFCNFFEMCW-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)[NH2+]CC(C)(C)C ZINC000068986902 572014443 /nfs/dbraw/zinc/01/44/43/572014443.db2.gz GCBOHQQUEIGRQP-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](CC)[NH2+]CC(C)(C)C ZINC000068986905 572012456 /nfs/dbraw/zinc/01/24/56/572012456.db2.gz GCBOHQQUEIGRQP-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CC)[NH2+][C@@H](C)[C@@H](C)CC ZINC000068987023 572014079 /nfs/dbraw/zinc/01/40/79/572014079.db2.gz RTDFHPPBSHVUTR-RWMBFGLXSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@@H](C)[C@@H](C)CC ZINC000068987027 572011905 /nfs/dbraw/zinc/01/19/05/572011905.db2.gz RTDFHPPBSHVUTR-AVGNSLFASA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@@H](CC)[NH2+][C@H](C)[C@@H](C)CC ZINC000068987030 572012271 /nfs/dbraw/zinc/01/22/71/572012271.db2.gz RTDFHPPBSHVUTR-YNEHKIRRSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@H](C)[C@@H](C)CC ZINC000068987033 572011676 /nfs/dbraw/zinc/01/16/76/572011676.db2.gz RTDFHPPBSHVUTR-XQQFMLRXSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@@H](CC)[NH2+][C@@H](CC)C(C)C ZINC000068987052 572014266 /nfs/dbraw/zinc/01/42/66/572014266.db2.gz YTPLMALCIPASMS-OLZOCXBDSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@@H](CC)C(C)C ZINC000068987058 572013381 /nfs/dbraw/zinc/01/33/81/572013381.db2.gz YTPLMALCIPASMS-STQMWFEESA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@@H](CC)[NH2+][C@H](CC)C(C)C ZINC000068987062 572013417 /nfs/dbraw/zinc/01/34/17/572013417.db2.gz YTPLMALCIPASMS-CHWSQXEVSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@H](CC)C(C)C ZINC000068987065 572013475 /nfs/dbraw/zinc/01/34/75/572013475.db2.gz YTPLMALCIPASMS-QWHCGFSZSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@@H](CC)[NH2+]C[C@@H](C)CC ZINC000068987659 572013309 /nfs/dbraw/zinc/01/33/09/572013309.db2.gz WSWGOFZYNCLJAR-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](CC)[NH2+]C[C@@H](C)CC ZINC000068987663 572013253 /nfs/dbraw/zinc/01/32/53/572013253.db2.gz WSWGOFZYNCLJAR-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CC)[NH2+]C[C@H](C)CC ZINC000068987666 572013080 /nfs/dbraw/zinc/01/30/80/572013080.db2.gz WSWGOFZYNCLJAR-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](CC)[NH2+]C[C@H](C)CC ZINC000068987669 572014185 /nfs/dbraw/zinc/01/41/85/572014185.db2.gz WSWGOFZYNCLJAR-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CC)[NH2+][C@@H]1CCC[C@@H]1C ZINC000068987788 572012964 /nfs/dbraw/zinc/01/29/64/572012964.db2.gz KMLVUPUYKGBJIJ-YNEHKIRRSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@@H](CC)[NH2+][C@H]1CCC[C@@H]1C ZINC000068987798 572013890 /nfs/dbraw/zinc/01/38/90/572013890.db2.gz KMLVUPUYKGBJIJ-XQQFMLRXSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@]1(CC)C[C@@H]1C[NH2+]C(C)C ZINC000069383064 572104970 /nfs/dbraw/zinc/10/49/70/572104970.db2.gz TVKUYOAAQFPQPJ-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@]1(CC)C[C@@H]1C[NH2+]C(C)C ZINC000069383069 572104467 /nfs/dbraw/zinc/10/44/67/572104467.db2.gz TVKUYOAAQFPQPJ-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@]1(CC)C[C@H]1C[NH2+]C(C)C ZINC000069383074 572106096 /nfs/dbraw/zinc/10/60/96/572106096.db2.gz TVKUYOAAQFPQPJ-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@]1(CC)C[C@H]1C[NH2+]C(C)C ZINC000069383075 572106217 /nfs/dbraw/zinc/10/62/17/572106217.db2.gz TVKUYOAAQFPQPJ-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@H](CC(C)(C)C)[NH2+]C ZINC000069630075 572125107 /nfs/dbraw/zinc/12/51/07/572125107.db2.gz DVZOACLIOPUINN-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@H](CC(C)(C)C)[NH2+]C ZINC000069630077 572127387 /nfs/dbraw/zinc/12/73/87/572127387.db2.gz DVZOACLIOPUINN-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@@H](CC(C)(C)C)[NH2+]CC ZINC000069630080 572127218 /nfs/dbraw/zinc/12/72/18/572127218.db2.gz ZUIILIAZSPWHQN-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](CC(C)(C)C)[NH2+]CC ZINC000069630081 572126180 /nfs/dbraw/zinc/12/61/80/572126180.db2.gz ZUIILIAZSPWHQN-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC(CCC)[NH2+][C@@H](C)CC1CC1 ZINC000069662246 572130158 /nfs/dbraw/zinc/13/01/58/572130158.db2.gz DWSXQDJRACUSOT-NSHDSACASA-N 1 0 197.366 3.733 10 0 AHAERO CCCC(CCC)[NH2+][C@H](C)CC1CC1 ZINC000069662250 572127885 /nfs/dbraw/zinc/12/78/85/572127885.db2.gz DWSXQDJRACUSOT-LLVKDONJSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@@H](CC)[NH2+][C@@H](C)CC1CC1 ZINC000069663037 572129478 /nfs/dbraw/zinc/12/94/78/572129478.db2.gz RUOQYVXSPHMEOZ-WCQYABFASA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@@H](C)CC1CC1 ZINC000069663039 572128394 /nfs/dbraw/zinc/12/83/94/572128394.db2.gz RUOQYVXSPHMEOZ-AAEUAGOBSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@@H](CC)[NH2+][C@H](C)CC1CC1 ZINC000069663043 572128605 /nfs/dbraw/zinc/12/86/05/572128605.db2.gz RUOQYVXSPHMEOZ-DGCLKSJQSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@H](C)CC1CC1 ZINC000069663048 572129294 /nfs/dbraw/zinc/12/92/94/572129294.db2.gz RUOQYVXSPHMEOZ-YPMHNXCESA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](CC)CC1CC1 ZINC000069670789 572132140 /nfs/dbraw/zinc/13/21/40/572132140.db2.gz LOUPTASLFGRZKO-WZRBSPASSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](CC1CC1)[NH2+][C@H](C)[C@@H](C)CC ZINC000069670792 572132461 /nfs/dbraw/zinc/13/24/61/572132461.db2.gz LOUPTASLFGRZKO-LOWVWBTDSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H](CC)CC1CC1 ZINC000069670794 572132810 /nfs/dbraw/zinc/13/28/10/572132810.db2.gz LOUPTASLFGRZKO-MDZLAQPJSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](CC1CC1)[NH2+][C@@H](C)[C@@H](C)CC ZINC000069670798 572131624 /nfs/dbraw/zinc/13/16/24/572131624.db2.gz LOUPTASLFGRZKO-GVXVVHGQSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)C[NH2+][C@@H](CC)CC1CC1 ZINC000069671344 572132035 /nfs/dbraw/zinc/13/20/35/572132035.db2.gz VBVWTJBKIXBJGW-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[NH2+][C@H](CC)CC1CC1 ZINC000069671346 572131316 /nfs/dbraw/zinc/13/13/16/572131316.db2.gz VBVWTJBKIXBJGW-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[NH2+][C@@H](CC)CC1CC1 ZINC000069671519 572131479 /nfs/dbraw/zinc/13/14/79/572131479.db2.gz CKOYRAZWJOTZCV-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[NH2+][C@H](CC)CC1CC1 ZINC000069671522 572132565 /nfs/dbraw/zinc/13/25/65/572132565.db2.gz CKOYRAZWJOTZCV-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](C)C[NH2+][C@@H](CC)CC1CC1 ZINC000069671911 572131570 /nfs/dbraw/zinc/13/15/70/572131570.db2.gz BIMDDDSDNDSXKN-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[NH2+][C@@H](CC)CC1CC1 ZINC000069671913 572131461 /nfs/dbraw/zinc/13/14/61/572131461.db2.gz BIMDDDSDNDSXKN-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[NH2+][C@H](CC)CC1CC1 ZINC000069671915 572132225 /nfs/dbraw/zinc/13/22/25/572132225.db2.gz BIMDDDSDNDSXKN-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[NH2+][C@H](CC)CC1CC1 ZINC000069671916 572132562 /nfs/dbraw/zinc/13/25/62/572132562.db2.gz BIMDDDSDNDSXKN-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](CC1CC1)[NH2+][C@@H](CC)C(C)C ZINC000069671960 572131572 /nfs/dbraw/zinc/13/15/72/572131572.db2.gz MWYNYHGVRLSDKW-STQMWFEESA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](CC1CC1)[NH2+][C@@H](CC)C(C)C ZINC000069671963 572132246 /nfs/dbraw/zinc/13/22/46/572132246.db2.gz MWYNYHGVRLSDKW-OLZOCXBDSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+][C@@H](CC)CC1CC1)C(C)C ZINC000069671964 572130702 /nfs/dbraw/zinc/13/07/02/572130702.db2.gz MWYNYHGVRLSDKW-QWHCGFSZSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](CC1CC1)[NH2+][C@H](CC)C(C)C ZINC000069671966 572131412 /nfs/dbraw/zinc/13/14/12/572131412.db2.gz MWYNYHGVRLSDKW-CHWSQXEVSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](CC1CC1)[NH2+][C@@H](C)CC(C)C ZINC000069672016 572131678 /nfs/dbraw/zinc/13/16/78/572131678.db2.gz NBYIDWWLKJCKFG-AAEUAGOBSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](CC1CC1)[NH2+][C@@H](C)CC(C)C ZINC000069672019 572131447 /nfs/dbraw/zinc/13/14/47/572131447.db2.gz NBYIDWWLKJCKFG-WCQYABFASA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](CC1CC1)[NH2+][C@H](C)CC(C)C ZINC000069672023 572132121 /nfs/dbraw/zinc/13/21/21/572132121.db2.gz NBYIDWWLKJCKFG-YPMHNXCESA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](CC1CC1)[NH2+][C@H](C)CC(C)C ZINC000069672027 572131977 /nfs/dbraw/zinc/13/19/77/572131977.db2.gz NBYIDWWLKJCKFG-DGCLKSJQSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@@H](CC)CC1CC1 ZINC000069672085 572131899 /nfs/dbraw/zinc/13/18/99/572131899.db2.gz CFWDPXNLVBGXGX-YPMHNXCESA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H](C)[NH2+][C@@H](CC)CC1CC1 ZINC000069672087 572131524 /nfs/dbraw/zinc/13/15/24/572131524.db2.gz CFWDPXNLVBGXGX-AAEUAGOBSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@H](CC)CC1CC1 ZINC000069672091 572132678 /nfs/dbraw/zinc/13/26/78/572132678.db2.gz CFWDPXNLVBGXGX-DGCLKSJQSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H](C)[NH2+][C@H](CC)CC1CC1 ZINC000069672094 572130872 /nfs/dbraw/zinc/13/08/72/572130872.db2.gz CFWDPXNLVBGXGX-WCQYABFASA-N 1 0 197.366 3.733 10 0 AHAERO CCC(CC)C[NH2+][C@@H](C)C1CCCC1 ZINC000069804116 486775732 /nfs/dbraw/zinc/77/57/32/486775732.db2.gz XOJPDHBMDDBFDE-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[NH2+][C@H](C)C1CCCC1 ZINC000069804118 486775737 /nfs/dbraw/zinc/77/57/37/486775737.db2.gz XOJPDHBMDDBFDE-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[NH2+][C@@H](C)C1CCCC1 ZINC000069804308 572146887 /nfs/dbraw/zinc/14/68/87/572146887.db2.gz LBEDWSAHLPAFNK-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[NH2+][C@@H](C)C1CCCC1 ZINC000069804310 572147293 /nfs/dbraw/zinc/14/72/93/572147293.db2.gz LBEDWSAHLPAFNK-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[NH2+][C@H](C)C1CCCC1 ZINC000069804313 572147054 /nfs/dbraw/zinc/14/70/54/572147054.db2.gz LBEDWSAHLPAFNK-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[NH2+][C@H](C)C1CCCC1 ZINC000069804315 572146964 /nfs/dbraw/zinc/14/69/64/572146964.db2.gz LBEDWSAHLPAFNK-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@@H]1C[C@H](CC)CC[NH2+]1 ZINC000069940848 572159990 /nfs/dbraw/zinc/15/99/90/572159990.db2.gz SRHWXAMHSXETRC-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@H]1C[C@H](CC)CC[NH2+]1 ZINC000069940850 572161672 /nfs/dbraw/zinc/16/16/72/572161672.db2.gz SRHWXAMHSXETRC-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CC[NH2+][C@H](CCC(C)(C)C)C1 ZINC000069941040 572160456 /nfs/dbraw/zinc/16/04/56/572160456.db2.gz RYDFLUPFJFIJET-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CC[NH2+][C@H](CCC(C)(C)C)C1 ZINC000069941041 572159752 /nfs/dbraw/zinc/15/97/52/572159752.db2.gz RYDFLUPFJFIJET-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CC[NH2+][C@@H](CCC(C)(C)C)C1 ZINC000069941042 572160149 /nfs/dbraw/zinc/16/01/49/572160149.db2.gz RYDFLUPFJFIJET-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CC[NH2+][C@@H](CCC(C)(C)C)C1 ZINC000069941043 572160322 /nfs/dbraw/zinc/16/03/22/572160322.db2.gz RYDFLUPFJFIJET-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]([NH2+]CCC)c1ccoc1 ZINC000069946960 572164874 /nfs/dbraw/zinc/16/48/74/572164874.db2.gz RLIIFINTKXEERM-LBPRGKRZSA-N 1 0 195.306 3.511 10 0 AHAERO CCCC[C@@H]([NH2+]CCC)c1ccoc1 ZINC000069946963 572164344 /nfs/dbraw/zinc/16/43/44/572164344.db2.gz RLIIFINTKXEERM-GFCCVEGCSA-N 1 0 195.306 3.511 10 0 AHAERO CCCC[C@@H](CC)C[C@@H]1CCC[NH2+]C1 ZINC000069975094 572165928 /nfs/dbraw/zinc/16/59/28/572165928.db2.gz XXKUIIKVHNZCED-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H](CC)C[C@@H]1CCC[NH2+]C1 ZINC000069975097 572167399 /nfs/dbraw/zinc/16/73/99/572167399.db2.gz XXKUIIKVHNZCED-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@H](CC)C[C@H]1CCC[NH2+]C1 ZINC000069975101 572167708 /nfs/dbraw/zinc/16/77/08/572167708.db2.gz XXKUIIKVHNZCED-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H](CC)C[C@H]1CCC[NH2+]C1 ZINC000069975104 572166803 /nfs/dbraw/zinc/16/68/03/572166803.db2.gz XXKUIIKVHNZCED-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC(CC)CCCC[NH2+]C(C)C ZINC000070054729 572174324 /nfs/dbraw/zinc/17/43/24/572174324.db2.gz IGNDYGIKJPATQK-UHFFFAOYSA-N 1 0 185.355 3.591 10 0 AHAERO CC[C@@H](CC1CC1)[NH2+]CCC(C)(C)C ZINC000070105480 572179229 /nfs/dbraw/zinc/17/92/29/572179229.db2.gz CPYINSMWKKJRSR-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](CC1CC1)[NH2+]CCC(C)(C)C ZINC000070105481 572178450 /nfs/dbraw/zinc/17/84/50/572178450.db2.gz CPYINSMWKKJRSR-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@H]([NH2+]C)c1ccoc1 ZINC000070414346 572232212 /nfs/dbraw/zinc/23/22/12/572232212.db2.gz GGBXHIPMBMBHCJ-LBPRGKRZSA-N 1 0 195.306 3.511 10 0 AHAERO CCCCCC[C@@H]([NH2+]C)c1ccoc1 ZINC000070414347 572230745 /nfs/dbraw/zinc/23/07/45/572230745.db2.gz GGBXHIPMBMBHCJ-GFCCVEGCSA-N 1 0 195.306 3.511 10 0 AHAERO CCCCC[C@H]([NH2+]CC)c1ccoc1 ZINC000070414440 572230369 /nfs/dbraw/zinc/23/03/69/572230369.db2.gz NKPNAIJXOQJCRS-LBPRGKRZSA-N 1 0 195.306 3.511 10 0 AHAERO CCCCC[C@@H]([NH2+]CC)c1ccoc1 ZINC000070414441 572231000 /nfs/dbraw/zinc/23/10/00/572231000.db2.gz NKPNAIJXOQJCRS-GFCCVEGCSA-N 1 0 195.306 3.511 10 0 AHAERO CCCC[C@]1(CC)C[C@@H]1C[NH2+]CCC ZINC000070531912 572234507 /nfs/dbraw/zinc/23/45/07/572234507.db2.gz SSQGYRFJHRMAPB-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@]1(CC)C[C@@H]1C[NH2+]CCC ZINC000070531913 572235336 /nfs/dbraw/zinc/23/53/36/572235336.db2.gz SSQGYRFJHRMAPB-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@]1(CC)C[C@H]1C[NH2+]CCC ZINC000070531914 572236262 /nfs/dbraw/zinc/23/62/62/572236262.db2.gz SSQGYRFJHRMAPB-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@]1(CC)C[C@H]1C[NH2+]CCC ZINC000070531915 572234313 /nfs/dbraw/zinc/23/43/13/572234313.db2.gz SSQGYRFJHRMAPB-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC000070532009 572234772 /nfs/dbraw/zinc/23/47/72/572234772.db2.gz BLLAFJVZTSWOGS-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC000070532010 572235315 /nfs/dbraw/zinc/23/53/15/572235315.db2.gz BLLAFJVZTSWOGS-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC000070532011 572236180 /nfs/dbraw/zinc/23/61/80/572236180.db2.gz BLLAFJVZTSWOGS-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000070532012 572235005 /nfs/dbraw/zinc/23/50/05/572235005.db2.gz BLLAFJVZTSWOGS-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@H](C)[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC000070532122 572235897 /nfs/dbraw/zinc/23/58/97/572235897.db2.gz YPVCXGPUNMJANV-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC000070532124 572235950 /nfs/dbraw/zinc/23/59/50/572235950.db2.gz YPVCXGPUNMJANV-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[NH2+]CCC1CCC(C)CC1 ZINC000070532208 572235391 /nfs/dbraw/zinc/23/53/91/572235391.db2.gz QSTQEVDPRIOVPY-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@@H](C)[NH2+]CCC1CCC(C)CC1 ZINC000070532249 572234731 /nfs/dbraw/zinc/23/47/31/572234731.db2.gz WKQYXWUKLWFNOP-OTTFEQOBSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[NH2+]CCC1CCC(C)CC1 ZINC000070532250 572234734 /nfs/dbraw/zinc/23/47/34/572234734.db2.gz WKQYXWUKLWFNOP-CPCZMJQVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CCC[C@H]([NH2+]C(C)(C)CC)C1 ZINC000070562117 571691078 /nfs/dbraw/zinc/69/10/78/571691078.db2.gz CNRZGGJUUKYPAR-NEPJUHHUSA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@H]1CCC[C@H]([NH2+]C(C)(C)CC)C1 ZINC000070562118 571693582 /nfs/dbraw/zinc/69/35/82/571693582.db2.gz CNRZGGJUUKYPAR-RYUDHWBXSA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@@H]1CCC[C@@H]([NH2+]C(C)(C)CC)C1 ZINC000070562119 571693260 /nfs/dbraw/zinc/69/32/60/571693260.db2.gz CNRZGGJUUKYPAR-VXGBXAGGSA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@H]1CCC[C@@H]([NH2+]C(C)(C)CC)C1 ZINC000070562120 571693249 /nfs/dbraw/zinc/69/32/49/571693249.db2.gz CNRZGGJUUKYPAR-NWDGAFQWSA-N 1 0 197.366 3.733 10 0 AHAERO CCC(CC)[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000070562141 571691149 /nfs/dbraw/zinc/69/11/49/571691149.db2.gz MSFKUHIRMHTVJU-YPMHNXCESA-N 1 0 197.366 3.733 10 0 AHAERO CCC(CC)[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000070562142 571691670 /nfs/dbraw/zinc/69/16/70/571691670.db2.gz MSFKUHIRMHTVJU-AAEUAGOBSA-N 1 0 197.366 3.733 10 0 AHAERO CCC(CC)[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000070562143 571693695 /nfs/dbraw/zinc/69/36/95/571693695.db2.gz MSFKUHIRMHTVJU-DGCLKSJQSA-N 1 0 197.366 3.733 10 0 AHAERO CCC(CC)[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000070562144 571691242 /nfs/dbraw/zinc/69/12/42/571691242.db2.gz MSFKUHIRMHTVJU-WCQYABFASA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000070562166 571692961 /nfs/dbraw/zinc/69/29/61/571692961.db2.gz DLARQWUJEBJJTL-RWMBFGLXSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@H](C)[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000070562168 571691136 /nfs/dbraw/zinc/69/11/36/571691136.db2.gz DLARQWUJEBJJTL-AVGNSLFASA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C(C)C)C1 ZINC000070562360 486784906 /nfs/dbraw/zinc/78/49/06/486784906.db2.gz XGRUAFMPUPQSJR-XQQFMLRXSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]1CCC[C@H]([NH2+][C@@H](C)C(C)C)C1 ZINC000070562361 571693560 /nfs/dbraw/zinc/69/35/60/571693560.db2.gz XGRUAFMPUPQSJR-AVGNSLFASA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C(C)C)C1 ZINC000070562362 486785255 /nfs/dbraw/zinc/78/52/55/486785255.db2.gz XGRUAFMPUPQSJR-YNEHKIRRSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]1CCC[C@@H]([NH2+][C@@H](C)C(C)C)C1 ZINC000070562363 571691783 /nfs/dbraw/zinc/69/17/83/571691783.db2.gz XGRUAFMPUPQSJR-RWMBFGLXSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)C[C@@]1([NH3+])CCC[C@@H](CC)C1 ZINC000070562633 571692173 /nfs/dbraw/zinc/69/21/73/571692173.db2.gz ZWOUKNWXVCSORQ-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@@]1([NH3+])CCC[C@H](CC)C1 ZINC000070562634 571691218 /nfs/dbraw/zinc/69/12/18/571691218.db2.gz ZWOUKNWXVCSORQ-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])CCC[C@@H](CC)C1 ZINC000070562635 571690797 /nfs/dbraw/zinc/69/07/97/571690797.db2.gz ZWOUKNWXVCSORQ-YNEHKIRRSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])CCC[C@H](CC)C1 ZINC000070562636 571693606 /nfs/dbraw/zinc/69/36/06/571693606.db2.gz ZWOUKNWXVCSORQ-RWMBFGLXSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CCC[C@H]([NH2+]CC(C)(C)C)C1 ZINC000070562774 571691073 /nfs/dbraw/zinc/69/10/73/571691073.db2.gz SFZVIOOCQIPZTO-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C)C1 ZINC000070562775 571691009 /nfs/dbraw/zinc/69/10/09/571691009.db2.gz SFZVIOOCQIPZTO-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C)C1 ZINC000070562776 571693065 /nfs/dbraw/zinc/69/30/65/571693065.db2.gz SFZVIOOCQIPZTO-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CCC[C@H](C([NH3+])(CC)CC)C1 ZINC000070566124 571695546 /nfs/dbraw/zinc/69/55/46/571695546.db2.gz UIYNHUPBRIOSGM-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CCC[C@H](C([NH3+])(CC)CC)C1 ZINC000070566125 571694645 /nfs/dbraw/zinc/69/46/45/571694645.db2.gz UIYNHUPBRIOSGM-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]1CCC[C@@H](C([NH3+])(CC)CC)C1 ZINC000070566126 571695461 /nfs/dbraw/zinc/69/54/61/571695461.db2.gz UIYNHUPBRIOSGM-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CCC[C@@H](C([NH3+])(CC)CC)C1 ZINC000070566127 571694383 /nfs/dbraw/zinc/69/43/83/571694383.db2.gz UIYNHUPBRIOSGM-NWDGAFQWSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]1CCC[C@H]([C@](C)([NH3+])C(C)C)C1 ZINC000070566132 343492814 /nfs/dbraw/zinc/49/28/14/343492814.db2.gz PYZPASCRUCHMCP-FRRDWIJNSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCC[C@@H]([C@](C)([NH3+])C(C)C)C1 ZINC000070566134 343492877 /nfs/dbraw/zinc/49/28/77/343492877.db2.gz PYZPASCRUCHMCP-JHJVBQTASA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCC[C@H]([C@H]([NH3+])CC(C)C)C1 ZINC000070566584 571696193 /nfs/dbraw/zinc/69/61/93/571696193.db2.gz YPYDSKIZIDWARN-FRRDWIJNSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCC[C@@H]([C@H]([NH3+])CC(C)C)C1 ZINC000070566586 571694288 /nfs/dbraw/zinc/69/42/88/571694288.db2.gz YPYDSKIZIDWARN-JHJVBQTASA-N 1 0 197.366 3.576 10 0 AHAERO CC[NH2+][C@H](CC)[C@H]1CCC[C@@H](CC)C1 ZINC000070566684 571696267 /nfs/dbraw/zinc/69/62/67/571696267.db2.gz CDSOYKVUPZDJNX-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@H]1CCC[C@H](CC)C1 ZINC000070566685 571695592 /nfs/dbraw/zinc/69/55/92/571695592.db2.gz CDSOYKVUPZDJNX-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@@H]1CCC[C@@H](CC)C1 ZINC000070566686 571696116 /nfs/dbraw/zinc/69/61/16/571696116.db2.gz CDSOYKVUPZDJNX-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@@H]1CCC[C@H](CC)C1 ZINC000070566687 571694863 /nfs/dbraw/zinc/69/48/63/571694863.db2.gz CDSOYKVUPZDJNX-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C)[C@@H]1CCC[C@H](CC)C1 ZINC000070566701 571694684 /nfs/dbraw/zinc/69/46/84/571694684.db2.gz HMNGGBNDSMUQGW-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C)[C@H]1CCC[C@H](CC)C1 ZINC000070566703 571695042 /nfs/dbraw/zinc/69/50/42/571695042.db2.gz HMNGGBNDSMUQGW-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+]C)[C@@H]1CCC[C@H](CC)C1 ZINC000070566704 571694587 /nfs/dbraw/zinc/69/45/87/571694587.db2.gz PULWMPWFCZUTRQ-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+]C)[C@H]1CCC[C@H](CC)C1 ZINC000070566706 571696668 /nfs/dbraw/zinc/69/66/68/571696668.db2.gz PULWMPWFCZUTRQ-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@@H]([NH3+])[C@H]1CCC[C@@H](CC)C1 ZINC000070566936 571694197 /nfs/dbraw/zinc/69/41/97/571694197.db2.gz NJDPJVFCISQPCM-QNWHQSFQSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)[C@@H]([NH3+])[C@@H]1CCC[C@@H](CC)C1 ZINC000070566938 571696098 /nfs/dbraw/zinc/69/60/98/571696098.db2.gz NJDPJVFCISQPCM-UMSGYPCISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000070567024 571695747 /nfs/dbraw/zinc/69/57/47/571695747.db2.gz SIELHVSXBCAHFK-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000070567025 571695729 /nfs/dbraw/zinc/69/57/29/571695729.db2.gz SIELHVSXBCAHFK-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CCC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000070567026 571695256 /nfs/dbraw/zinc/69/52/56/571695256.db2.gz SIELHVSXBCAHFK-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000070567027 571694162 /nfs/dbraw/zinc/69/41/62/571694162.db2.gz SIELHVSXBCAHFK-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+]CC[C@@H]1CCC[C@H](CC)C1 ZINC000070567490 571696813 /nfs/dbraw/zinc/69/68/13/571696813.db2.gz GXHRMGYZYLPJDW-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC[C@H]1CCC[C@H](CC)C1 ZINC000070567491 571695957 /nfs/dbraw/zinc/69/59/57/571695957.db2.gz GXHRMGYZYLPJDW-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC[C@@H]1CCC[C@@H](CC)C1 ZINC000070567492 571694375 /nfs/dbraw/zinc/69/43/75/571694375.db2.gz GXHRMGYZYLPJDW-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC[C@H]1CCC[C@@H](CC)C1 ZINC000070567493 571696599 /nfs/dbraw/zinc/69/65/99/571696599.db2.gz GXHRMGYZYLPJDW-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@@H]1CCC[C@H](CC[NH2+]C(C)C)C1 ZINC000070567494 571695494 /nfs/dbraw/zinc/69/54/94/571695494.db2.gz KPSLKGUPUYIHMS-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCC[C@H](CC[NH2+]C(C)C)C1 ZINC000070567495 571694840 /nfs/dbraw/zinc/69/48/40/571694840.db2.gz KPSLKGUPUYIHMS-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CCC[C@@H](CC[NH2+]C(C)C)C1 ZINC000070567496 571695538 /nfs/dbraw/zinc/69/55/38/571695538.db2.gz KPSLKGUPUYIHMS-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCC[C@@H](CC[NH2+]C(C)C)C1 ZINC000070567497 571695902 /nfs/dbraw/zinc/69/59/02/571695902.db2.gz KPSLKGUPUYIHMS-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CCC[C@H](CC[NH2+]C(C)(C)C)C1 ZINC000070567506 571696678 /nfs/dbraw/zinc/69/66/78/571696678.db2.gz FESAEMGGSGANSL-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CCC[C@H](CC[NH2+]C(C)(C)C)C1 ZINC000070567507 571696405 /nfs/dbraw/zinc/69/64/05/571696405.db2.gz FESAEMGGSGANSL-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CCC[C@@H](CC[NH2+]C(C)(C)C)C1 ZINC000070567508 571694353 /nfs/dbraw/zinc/69/43/53/571694353.db2.gz FESAEMGGSGANSL-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CCC[C@@H](CC[NH2+]C(C)(C)C)C1 ZINC000070567509 571694767 /nfs/dbraw/zinc/69/47/67/571694767.db2.gz FESAEMGGSGANSL-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@@]1([NH3+])CCCC[C@H]1CC ZINC000070568172 571695977 /nfs/dbraw/zinc/69/59/77/571695977.db2.gz CMIITHWMXOOXLQ-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@@]1([NH3+])CCCC[C@@H]1CC ZINC000070568173 571694687 /nfs/dbraw/zinc/69/46/87/571694687.db2.gz CMIITHWMXOOXLQ-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])CCCC[C@H]1CC ZINC000070568174 571695001 /nfs/dbraw/zinc/69/50/01/571695001.db2.gz CMIITHWMXOOXLQ-YNEHKIRRSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])CCCC[C@@H]1CC ZINC000070568175 571696077 /nfs/dbraw/zinc/69/60/77/571696077.db2.gz CMIITHWMXOOXLQ-RWMBFGLXSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]([NH3+])c1ccc(C)c2ccccc21 ZINC000070651388 343519301 /nfs/dbraw/zinc/51/93/01/343519301.db2.gz TUUUPFWUDSYPNN-AWEZNQCLSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@@H]([NH3+])c1ccc(C)c2ccccc21 ZINC000070651389 343519285 /nfs/dbraw/zinc/51/92/85/343519285.db2.gz TUUUPFWUDSYPNN-CQSZACIVSA-N 1 0 199.297 3.558 10 0 AHAERO CCC[NH2+]CCCC[C@H](C)CCC ZINC000070651822 571725291 /nfs/dbraw/zinc/72/52/91/571725291.db2.gz QFVOYCUZGFLKKY-GFCCVEGCSA-N 1 0 185.355 3.593 10 0 AHAERO CCC[NH2+]CCCC[C@@H](C)CCC ZINC000070651823 571725525 /nfs/dbraw/zinc/72/55/25/571725525.db2.gz QFVOYCUZGFLKKY-LBPRGKRZSA-N 1 0 185.355 3.593 10 0 AHAERO CCC[NH2+]CCCCC1CCCCC1 ZINC000070651824 571724942 /nfs/dbraw/zinc/72/49/42/571724942.db2.gz XBPCWKOFVVCTOI-UHFFFAOYSA-N 1 0 197.366 3.737 10 0 AHAERO CCC[NH2+]CCCCCC(C)(C)C ZINC000070651827 571724993 /nfs/dbraw/zinc/72/49/93/571724993.db2.gz ZWXRIAOPSSGWPL-UHFFFAOYSA-N 1 0 185.355 3.593 10 0 AHAERO CCC[C@@H](C)CCCC[NH2+]C(C)C ZINC000070651851 571726127 /nfs/dbraw/zinc/72/61/27/571726127.db2.gz WDHUJMXRKCWLMO-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](C)CCCC[NH2+]C(C)C ZINC000070651852 571724990 /nfs/dbraw/zinc/72/49/90/571724990.db2.gz WDHUJMXRKCWLMO-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CC(C)[NH2+]CCCCC1CCCCC1 ZINC000070651854 571725147 /nfs/dbraw/zinc/72/51/47/571725147.db2.gz NTKVDVFWBDDQQQ-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)[NH2+]CCCCCC(C)(C)C ZINC000070651857 571724656 /nfs/dbraw/zinc/72/46/56/571724656.db2.gz APEPTVXBGQSBFY-UHFFFAOYSA-N 1 0 185.355 3.591 10 0 AHAERO CC(C)CCCCC[NH2+]C(C)(C)C ZINC000070651893 571725646 /nfs/dbraw/zinc/72/56/46/571725646.db2.gz AJXBEKBFSHCGFW-UHFFFAOYSA-N 1 0 185.355 3.591 10 0 AHAERO CC(C)(C)[NH2+]CCCCC1CCCC1 ZINC000070651894 571725475 /nfs/dbraw/zinc/72/54/75/571725475.db2.gz MSGGHWMYRKJSLI-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@H](C)CCCC[NH2+]C(C)(C)C ZINC000070651897 571724774 /nfs/dbraw/zinc/72/47/74/571724774.db2.gz SPBALVXNDLKYMX-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CC[C@H](C)CCCC[NH2+]C(C)(C)C ZINC000070651898 571725391 /nfs/dbraw/zinc/72/53/91/571725391.db2.gz SPBALVXNDLKYMX-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](C)CCCC[NH2+]C(C)(C)C ZINC000070651904 571725022 /nfs/dbraw/zinc/72/50/22/571725022.db2.gz OGZMLHXLMYVHPZ-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](C)CCCC[NH2+]C(C)(C)C ZINC000070651905 571725996 /nfs/dbraw/zinc/72/59/96/571725996.db2.gz OGZMLHXLMYVHPZ-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CC(C)(C)CCCCC[NH2+]C(C)(C)C ZINC000070651909 571725711 /nfs/dbraw/zinc/72/57/11/571725711.db2.gz IQSBVGNUGUQPNP-UHFFFAOYSA-N 1 0 199.382 3.981 10 0 AHAERO CC(C)C[NH2+]CCCCC1CCCC1 ZINC000070651914 571726054 /nfs/dbraw/zinc/72/60/54/571726054.db2.gz VTWCFCOFEBMMKU-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@@H](C)CCCC[NH2+]CC(C)C ZINC000070651924 571725981 /nfs/dbraw/zinc/72/59/81/571725981.db2.gz BZJAAFVVDIOLMC-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@H](C)CCCC[NH2+]CC(C)C ZINC000070651925 571726485 /nfs/dbraw/zinc/72/64/85/571726485.db2.gz BZJAAFVVDIOLMC-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CC(C)C[NH2+]CCCCCC(C)(C)C ZINC000070651928 571725043 /nfs/dbraw/zinc/72/50/43/571725043.db2.gz RAYXSEMASHYAIY-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CC(C)[C@@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000070653940 343519648 /nfs/dbraw/zinc/51/96/48/343519648.db2.gz WEUHOFCEYFQHRK-LLVKDONJSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)[C@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000070653941 166599267 /nfs/dbraw/zinc/59/92/67/166599267.db2.gz WEUHOFCEYFQHRK-NSHDSACASA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](C)CC1([NH3+])CCC(C)(C)CC1 ZINC000070654593 572722025 /nfs/dbraw/zinc/72/20/25/572722025.db2.gz YJRAPLRMRZSTKL-LLVKDONJSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)CC1([NH3+])CCC(C)(C)CC1 ZINC000070654594 572721430 /nfs/dbraw/zinc/72/14/30/572721430.db2.gz YJRAPLRMRZSTKL-NSHDSACASA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CCC1([NH3+])CCC(C)(C)CC1 ZINC000070654611 572722473 /nfs/dbraw/zinc/72/24/73/572722473.db2.gz QKAMCXWHVPNICP-UHFFFAOYSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCCC1([NH3+])CCC(C)(C)CC1 ZINC000070654615 571725459 /nfs/dbraw/zinc/72/54/59/571725459.db2.gz IQMVWNKNGPNAST-UHFFFAOYSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070682567 572725757 /nfs/dbraw/zinc/72/57/57/572725757.db2.gz KTXHRHOHTYJRHK-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070682568 571731102 /nfs/dbraw/zinc/73/11/02/571731102.db2.gz KTXHRHOHTYJRHK-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070682588 571728850 /nfs/dbraw/zinc/72/88/50/571728850.db2.gz FNVIUUQWHFJHTN-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070682589 571729364 /nfs/dbraw/zinc/72/93/64/571729364.db2.gz FNVIUUQWHFJHTN-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[C@]1([NH3+])CCCC(C)(C)C1 ZINC000070682759 572726946 /nfs/dbraw/zinc/72/69/46/572726946.db2.gz ZKARNWNKNLTUJL-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])CCCC(C)(C)C1 ZINC000070682761 572725838 /nfs/dbraw/zinc/72/58/38/572725838.db2.gz ZKARNWNKNLTUJL-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)C[C@@]1([NH3+])CCCC(C)(C)C1 ZINC000070682763 572726108 /nfs/dbraw/zinc/72/61/08/572726108.db2.gz ZKARNWNKNLTUJL-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@@]1([NH3+])CCCC(C)(C)C1 ZINC000070682764 572726670 /nfs/dbraw/zinc/72/66/70/572726670.db2.gz ZKARNWNKNLTUJL-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CC[C@]1([NH3+])CCCC(C)(C)C1 ZINC000070682849 572726689 /nfs/dbraw/zinc/72/66/89/572726689.db2.gz LIFLCYNLHJPUOT-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CC[C@@]1([NH3+])CCCC(C)(C)C1 ZINC000070682853 572726462 /nfs/dbraw/zinc/72/64/62/572726462.db2.gz LIFLCYNLHJPUOT-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070682885 343524297 /nfs/dbraw/zinc/52/42/97/343524297.db2.gz OEAJVVXBFBGCTF-VXGBXAGGSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070682888 343524421 /nfs/dbraw/zinc/52/44/21/343524421.db2.gz OEAJVVXBFBGCTF-NWDGAFQWSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070682889 166571012 /nfs/dbraw/zinc/57/10/12/166571012.db2.gz OEAJVVXBFBGCTF-NEPJUHHUSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070682892 343524278 /nfs/dbraw/zinc/52/42/78/343524278.db2.gz OEAJVVXBFBGCTF-RYUDHWBXSA-N 1 0 197.366 3.589 10 0 AHAERO CCCCC[C@]1([NH3+])CCCC(C)(C)C1 ZINC000070682894 571731487 /nfs/dbraw/zinc/73/14/87/571731487.db2.gz MHDXGILMQXZNEW-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[C@@]1([NH3+])CCCC(C)(C)C1 ZINC000070682896 571729101 /nfs/dbraw/zinc/72/91/01/571729101.db2.gz MHDXGILMQXZNEW-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CC[C@@H](C)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070683427 571730709 /nfs/dbraw/zinc/73/07/09/571730709.db2.gz LDWPRNZRQZMQBN-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070683428 571729455 /nfs/dbraw/zinc/72/94/55/571729455.db2.gz LDWPRNZRQZMQBN-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070683431 571729722 /nfs/dbraw/zinc/72/97/22/571729722.db2.gz LDWPRNZRQZMQBN-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070683434 571730696 /nfs/dbraw/zinc/73/06/96/571730696.db2.gz LDWPRNZRQZMQBN-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)CCC[C@@H](C)[NH3+] ZINC000070740697 571747370 /nfs/dbraw/zinc/74/73/70/571747370.db2.gz IBTDUDYPMHOMCS-VXGBXAGGSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@H](CC)CCC[C@@H](C)[NH3+] ZINC000070740699 571747318 /nfs/dbraw/zinc/74/73/18/571747318.db2.gz IBTDUDYPMHOMCS-NEPJUHHUSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@@H](CC)CCC[C@H](C)[NH3+] ZINC000070740700 571749027 /nfs/dbraw/zinc/74/90/27/571749027.db2.gz IBTDUDYPMHOMCS-NWDGAFQWSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@H](CC)CCC[C@H](C)[NH3+] ZINC000070740701 571747943 /nfs/dbraw/zinc/74/79/43/571747943.db2.gz IBTDUDYPMHOMCS-RYUDHWBXSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@H](CC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000070740972 571747663 /nfs/dbraw/zinc/74/76/63/571747663.db2.gz WMIQHHWRHUWZJZ-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)C[C@H]1CC[C@H]([NH3+])C1 ZINC000070740976 571748582 /nfs/dbraw/zinc/74/85/82/571748582.db2.gz WMIQHHWRHUWZJZ-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H]([NH3+])CC[C@@H]1CCC[C@H](C)C1 ZINC000070741907 571748478 /nfs/dbraw/zinc/74/84/78/571748478.db2.gz XRJHBAQLQWCZGR-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H]([NH3+])CC[C@H]1CCC[C@H](C)C1 ZINC000070741910 571748548 /nfs/dbraw/zinc/74/85/48/571748548.db2.gz XRJHBAQLQWCZGR-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H]([NH3+])CCCCC(C)(C)C ZINC000070741930 571747591 /nfs/dbraw/zinc/74/75/91/571747591.db2.gz FFELMPCIMUNBIU-NSHDSACASA-N 1 0 185.355 3.720 10 0 AHAERO CCC[C@@H]([NH3+])CCCCC(C)(C)C ZINC000070741931 571747416 /nfs/dbraw/zinc/74/74/16/571747416.db2.gz FFELMPCIMUNBIU-LLVKDONJSA-N 1 0 185.355 3.720 10 0 AHAERO CCC[C@H]([NH3+])CCCC1CCCCC1 ZINC000070741966 571885074 /nfs/dbraw/zinc/88/50/74/571885074.db2.gz FCCIKFUHRNKYPF-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO CCC[C@@H]([NH3+])CCCC1CCCCC1 ZINC000070741967 571883202 /nfs/dbraw/zinc/88/32/02/571883202.db2.gz FCCIKFUHRNKYPF-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CCC[C@@H](C)CCC[C@H]([NH3+])CCC ZINC000070741977 571748386 /nfs/dbraw/zinc/74/83/86/571748386.db2.gz JAMMLAPRVHIPNJ-VXGBXAGGSA-N 1 0 185.355 3.720 10 0 AHAERO CCC[C@@H]([NH3+])CCC[C@@H](C)CCC ZINC000070741979 571747853 /nfs/dbraw/zinc/74/78/53/571747853.db2.gz JAMMLAPRVHIPNJ-NWDGAFQWSA-N 1 0 185.355 3.720 10 0 AHAERO CCC[C@@H](C)CCC[C@@H]([NH3+])CCC ZINC000070741982 571747618 /nfs/dbraw/zinc/74/76/18/571747618.db2.gz JAMMLAPRVHIPNJ-NEPJUHHUSA-N 1 0 185.355 3.720 10 0 AHAERO CCC[C@H](C)CCC[C@@H]([NH3+])CCC ZINC000070741985 571749140 /nfs/dbraw/zinc/74/91/40/571749140.db2.gz JAMMLAPRVHIPNJ-RYUDHWBXSA-N 1 0 185.355 3.720 10 0 AHAERO CCCCCC[C@@H]1CCCC[C@H]([NH3+])C1 ZINC000070742153 571748837 /nfs/dbraw/zinc/74/88/37/571748837.db2.gz FGLPULJDYLVKAQ-OLZOCXBDSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@H]1CCCC[C@H]([NH3+])C1 ZINC000070742154 571748036 /nfs/dbraw/zinc/74/80/36/571748036.db2.gz FGLPULJDYLVKAQ-STQMWFEESA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@@H]1CCCC[C@@H]([NH3+])C1 ZINC000070742155 571747272 /nfs/dbraw/zinc/74/72/72/571747272.db2.gz FGLPULJDYLVKAQ-CHWSQXEVSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@H]1CCCC[C@@H]([NH3+])C1 ZINC000070742156 571748462 /nfs/dbraw/zinc/74/84/62/571748462.db2.gz FGLPULJDYLVKAQ-QWHCGFSZSA-N 1 0 197.366 3.864 10 0 AHAERO CC(C)(C)CC[C@@H]1CCCC[C@H]([NH3+])C1 ZINC000070742329 572736930 /nfs/dbraw/zinc/73/69/30/572736930.db2.gz UXRTYQGCHHPKEW-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CC[C@H]1CCCC[C@H]([NH3+])C1 ZINC000070742330 572737039 /nfs/dbraw/zinc/73/70/39/572737039.db2.gz UXRTYQGCHHPKEW-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CC[C@@H]1CCCC[C@@H]([NH3+])C1 ZINC000070742331 572737491 /nfs/dbraw/zinc/73/74/91/572737491.db2.gz UXRTYQGCHHPKEW-NWDGAFQWSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CC[C@H]1CCCC[C@@H]([NH3+])C1 ZINC000070742332 572735114 /nfs/dbraw/zinc/73/51/14/572735114.db2.gz UXRTYQGCHHPKEW-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@@H]1CCCC[C@H]([NH3+])C1 ZINC000070742450 571748167 /nfs/dbraw/zinc/74/81/67/571748167.db2.gz KMEYDIFGOWAFLJ-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@H]1CCCC[C@H]([NH3+])C1 ZINC000070742454 571748480 /nfs/dbraw/zinc/74/84/80/571748480.db2.gz KMEYDIFGOWAFLJ-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]([NH3+])CC[C@H]1CCC[C@@H](CC)C1 ZINC000070742623 571747241 /nfs/dbraw/zinc/74/72/41/571747241.db2.gz FNEDQKCNVQIHOV-JHJVBQTASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]([NH3+])CC[C@@H]1CCC[C@@H](CC)C1 ZINC000070742625 571747734 /nfs/dbraw/zinc/74/77/34/571747734.db2.gz FNEDQKCNVQIHOV-FRRDWIJNSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]([NH3+])CC[C@H]1CCCC[C@@H]1CC ZINC000070742654 571748139 /nfs/dbraw/zinc/74/81/39/571748139.db2.gz LXOIYJOPTYKFQI-YNEHKIRRSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]([NH3+])CC[C@@H]1CCCC[C@@H]1CC ZINC000070742658 571747790 /nfs/dbraw/zinc/74/77/90/571747790.db2.gz LXOIYJOPTYKFQI-RWMBFGLXSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)[C@@H]([NH3+])CC[C@H]1CCC[C@@H](C)C1 ZINC000070743033 571749217 /nfs/dbraw/zinc/74/92/17/571749217.db2.gz LUMWHTIXPJXCRY-UPJWGTAASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@@H]([NH3+])CC[C@@H]1CCC[C@@H](C)C1 ZINC000070743035 571748301 /nfs/dbraw/zinc/74/83/01/571748301.db2.gz LUMWHTIXPJXCRY-AGIUHOORSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@H]([NH3+])CCCCC(C)(C)C ZINC000070743049 571748869 /nfs/dbraw/zinc/74/88/69/571748869.db2.gz OHIIAUCPRPFXRP-LLVKDONJSA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)[C@@H]([NH3+])CCCCC(C)(C)C ZINC000070743050 571747432 /nfs/dbraw/zinc/74/74/32/571747432.db2.gz OHIIAUCPRPFXRP-NSHDSACASA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)[C@H]([NH3+])CCCC1CCCCC1 ZINC000070743081 571884424 /nfs/dbraw/zinc/88/44/24/571884424.db2.gz KNBJRTIEJAVOJE-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)[C@@H]([NH3+])CCCC1CCCCC1 ZINC000070743082 571748418 /nfs/dbraw/zinc/74/84/18/571748418.db2.gz KNBJRTIEJAVOJE-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)CCC[C@H]([NH3+])C(C)C ZINC000070743087 571748515 /nfs/dbraw/zinc/74/85/15/571748515.db2.gz BDNVRENMPGGKFB-NEPJUHHUSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)CCC[C@H]([NH3+])C(C)C ZINC000070743088 571749121 /nfs/dbraw/zinc/74/91/21/571749121.db2.gz BDNVRENMPGGKFB-RYUDHWBXSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H](C)CCC[C@@H]([NH3+])C(C)C ZINC000070743089 571747986 /nfs/dbraw/zinc/74/79/86/571747986.db2.gz BDNVRENMPGGKFB-VXGBXAGGSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)CCC[C@@H]([NH3+])C(C)C ZINC000070743090 571747722 /nfs/dbraw/zinc/74/77/22/571747722.db2.gz BDNVRENMPGGKFB-NWDGAFQWSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@@H](C)CCC[C@H]([NH3+])C(C)(C)C ZINC000070743265 571748907 /nfs/dbraw/zinc/74/89/07/571748907.db2.gz JUTFEQMUNJMQMX-MNOVXSKESA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@H](C)CCC[C@H]([NH3+])C(C)(C)C ZINC000070743266 571747401 /nfs/dbraw/zinc/74/74/01/571747401.db2.gz JUTFEQMUNJMQMX-QWRGUYRKSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@@H](C)CCC[C@@H]([NH3+])C(C)(C)C ZINC000070743267 571748510 /nfs/dbraw/zinc/74/85/10/571748510.db2.gz JUTFEQMUNJMQMX-GHMZBOCLSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@H](C)CCC[C@@H]([NH3+])C(C)(C)C ZINC000070743268 571747751 /nfs/dbraw/zinc/74/77/51/571747751.db2.gz JUTFEQMUNJMQMX-WDEREUQCSA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)(C)[C@H]([NH3+])CCCC1CCCC1 ZINC000070743269 571747837 /nfs/dbraw/zinc/74/78/37/571747837.db2.gz VAGSLVQHTQDSQR-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)[C@@H]([NH3+])CCCC1CCCC1 ZINC000070743270 571748635 /nfs/dbraw/zinc/74/86/35/571748635.db2.gz VAGSLVQHTQDSQR-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CCCC[C@H]([NH3+])C(C)(C)C ZINC000070743317 571747251 /nfs/dbraw/zinc/74/72/51/571747251.db2.gz VIFUYRLLDHZABI-NSHDSACASA-N 1 0 199.382 3.966 10 0 AHAERO CC(C)(C)CCCC[C@@H]([NH3+])C(C)(C)C ZINC000070743318 571748808 /nfs/dbraw/zinc/74/88/08/571748808.db2.gz VIFUYRLLDHZABI-LLVKDONJSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@@H](C)CCC[C@H]([NH3+])C(C)(C)C ZINC000070743339 571748826 /nfs/dbraw/zinc/74/88/26/571748826.db2.gz GTJGXMZWCIYCJS-NEPJUHHUSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@H](C)CCC[C@H]([NH3+])C(C)(C)C ZINC000070743340 571747608 /nfs/dbraw/zinc/74/76/08/571747608.db2.gz GTJGXMZWCIYCJS-RYUDHWBXSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@@H](C)CCC[C@@H]([NH3+])C(C)(C)C ZINC000070743341 571748684 /nfs/dbraw/zinc/74/86/84/571748684.db2.gz GTJGXMZWCIYCJS-VXGBXAGGSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@H](C)CCC[C@@H]([NH3+])C(C)(C)C ZINC000070743342 571748051 /nfs/dbraw/zinc/74/80/51/571748051.db2.gz GTJGXMZWCIYCJS-NWDGAFQWSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](CC)CCCC[NH2+]C ZINC000070743380 571748982 /nfs/dbraw/zinc/74/89/82/571748982.db2.gz CSJLKAKYAVOQBP-GFCCVEGCSA-N 1 0 185.355 3.593 10 0 AHAERO CCCC[C@H](CC)CCCC[NH2+]C ZINC000070743381 571747696 /nfs/dbraw/zinc/74/76/96/571747696.db2.gz CSJLKAKYAVOQBP-LBPRGKRZSA-N 1 0 185.355 3.593 10 0 AHAERO CCCC[C@@H](CC)CCCC[NH2+]CC ZINC000070743412 571748239 /nfs/dbraw/zinc/74/82/39/571748239.db2.gz BXNJYVWOFLPDIV-CYBMUJFWSA-N 1 0 199.382 3.983 10 0 AHAERO CCCC[C@H](CC)CCCC[NH2+]CC ZINC000070743413 571748624 /nfs/dbraw/zinc/74/86/24/571748624.db2.gz BXNJYVWOFLPDIV-ZDUSSCGKSA-N 1 0 199.382 3.983 10 0 AHAERO CC[NH2+]CCC[C@H]1CCC[C@@H](CC)C1 ZINC000070743414 571749225 /nfs/dbraw/zinc/74/92/25/571749225.db2.gz GGMANIVSSCHDDU-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CCC[C@H]1CCC[C@H](CC)C1 ZINC000070743415 571748632 /nfs/dbraw/zinc/74/86/32/571748632.db2.gz GGMANIVSSCHDDU-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CCC[C@@H]1CCC[C@@H](CC)C1 ZINC000070743416 571748257 /nfs/dbraw/zinc/74/82/57/571748257.db2.gz GGMANIVSSCHDDU-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CCC[C@@H]1CCC[C@H](CC)C1 ZINC000070743417 571748592 /nfs/dbraw/zinc/74/85/92/571748592.db2.gz GGMANIVSSCHDDU-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CCC[C@H]1CCCC[C@H]1CC ZINC000070743422 571747322 /nfs/dbraw/zinc/74/73/22/571747322.db2.gz YEQZZFZZNKHDRX-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CCC[C@H]1CCCC[C@@H]1CC ZINC000070743423 571747193 /nfs/dbraw/zinc/74/71/93/571747193.db2.gz YEQZZFZZNKHDRX-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CCC[C@@H]1CCCC[C@H]1CC ZINC000070743424 571747596 /nfs/dbraw/zinc/74/75/96/571747596.db2.gz YEQZZFZZNKHDRX-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CCC[C@@H]1CCCC[C@@H]1CC ZINC000070743425 571747806 /nfs/dbraw/zinc/74/78/06/571747806.db2.gz YEQZZFZZNKHDRX-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CCC[C@@H]1CCC[C@H](C)C1 ZINC000070743470 571748863 /nfs/dbraw/zinc/74/88/63/571748863.db2.gz AGGOSAUGZHQGEY-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CCC[C@H]1CCC[C@H](C)C1 ZINC000070743471 571748434 /nfs/dbraw/zinc/74/84/34/571748434.db2.gz AGGOSAUGZHQGEY-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CCC[C@@H]1CCC[C@@H](C)C1 ZINC000070743472 571747326 /nfs/dbraw/zinc/74/73/26/571747326.db2.gz AGGOSAUGZHQGEY-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CCC[C@H]1CCC[C@@H](C)C1 ZINC000070743473 571747200 /nfs/dbraw/zinc/74/72/00/571747200.db2.gz AGGOSAUGZHQGEY-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)[NH2+]CCC[C@H]1CCC[C@@H](C)C1 ZINC000070743512 571747887 /nfs/dbraw/zinc/74/78/87/571747887.db2.gz NXOUHNQSXGXWRR-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[NH2+]CCC[C@H]1CCC[C@H](C)C1 ZINC000070743513 571748727 /nfs/dbraw/zinc/74/87/27/571748727.db2.gz NXOUHNQSXGXWRR-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[NH2+]CCC[C@@H]1CCC[C@@H](C)C1 ZINC000070743514 571748131 /nfs/dbraw/zinc/74/81/31/571748131.db2.gz NXOUHNQSXGXWRR-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[NH2+]CCC[C@@H]1CCC[C@H](C)C1 ZINC000070743515 571747952 /nfs/dbraw/zinc/74/79/52/571747952.db2.gz NXOUHNQSXGXWRR-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)CCC[C@@H](C)[NH2+]C ZINC000070743707 571748210 /nfs/dbraw/zinc/74/82/10/571748210.db2.gz VKNNFNNHVUEPGB-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)CCC[C@@H](C)[NH2+]C ZINC000070743708 571747466 /nfs/dbraw/zinc/74/74/66/571747466.db2.gz VKNNFNNHVUEPGB-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)CCC[C@H](C)[NH2+]C ZINC000070743709 571748618 /nfs/dbraw/zinc/74/86/18/571748618.db2.gz VKNNFNNHVUEPGB-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)CCC[C@H](C)[NH2+]C ZINC000070743710 571748269 /nfs/dbraw/zinc/74/82/69/571748269.db2.gz VKNNFNNHVUEPGB-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CC[C@@H]1CCC[C@H](CC[C@@H](C)[NH2+]C)C1 ZINC000070743711 571747574 /nfs/dbraw/zinc/74/75/74/571747574.db2.gz MYSDWZLPKPLBAY-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCC[C@H](CC[C@@H](C)[NH2+]C)C1 ZINC000070743712 571748111 /nfs/dbraw/zinc/74/81/11/571748111.db2.gz MYSDWZLPKPLBAY-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CCC[C@@H](CC[C@@H](C)[NH2+]C)C1 ZINC000070743713 571748216 /nfs/dbraw/zinc/74/82/16/571748216.db2.gz MYSDWZLPKPLBAY-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCC[C@@H](CC[C@@H](C)[NH2+]C)C1 ZINC000070743714 571748224 /nfs/dbraw/zinc/74/82/24/571748224.db2.gz MYSDWZLPKPLBAY-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1CC[C@@H](C)[NH2+]C ZINC000070743727 571750848 /nfs/dbraw/zinc/75/08/48/571750848.db2.gz PEFZCZBWQNHHJE-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCCC[C@@H]1CC[C@@H](C)[NH2+]C ZINC000070743728 571749514 /nfs/dbraw/zinc/74/95/14/571749514.db2.gz PEFZCZBWQNHHJE-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CCCC[C@H]1CC[C@@H](C)[NH2+]C ZINC000070743729 571751099 /nfs/dbraw/zinc/75/10/99/571751099.db2.gz PEFZCZBWQNHHJE-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCCC[C@H]1CC[C@@H](C)[NH2+]C ZINC000070743730 571750421 /nfs/dbraw/zinc/75/04/21/571750421.db2.gz PEFZCZBWQNHHJE-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)CC[C@@H]1CCC[C@H](C)C1 ZINC000070743882 571749701 /nfs/dbraw/zinc/74/97/01/571749701.db2.gz ODMDOGUJICTTLZ-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)CC[C@H]1CCC[C@H](C)C1 ZINC000070743884 571750395 /nfs/dbraw/zinc/75/03/95/571750395.db2.gz ODMDOGUJICTTLZ-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C)CCCCC(C)(C)C ZINC000070743895 571750073 /nfs/dbraw/zinc/75/00/73/571750073.db2.gz LRWIPNCXIKIDRN-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@H](C)CCCCC(C)(C)C ZINC000070743896 571750340 /nfs/dbraw/zinc/75/03/40/571750340.db2.gz LRWIPNCXIKIDRN-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@@H](C)CCCC1CCCCC1 ZINC000070743927 571883720 /nfs/dbraw/zinc/88/37/20/571883720.db2.gz ZPKAHCUQRZHQER-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@H](C)CCCC1CCCCC1 ZINC000070743928 571750672 /nfs/dbraw/zinc/75/06/72/571750672.db2.gz ZPKAHCUQRZHQER-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](C)CCC[C@@H](C)[NH2+]CC ZINC000070743933 571750582 /nfs/dbraw/zinc/75/05/82/571750582.db2.gz ALHZKWUMZTUMNE-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](C)CCC[C@@H](C)[NH2+]CC ZINC000070743934 571751112 /nfs/dbraw/zinc/75/11/12/571751112.db2.gz ALHZKWUMZTUMNE-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](C)CCC[C@H](C)[NH2+]CC ZINC000070743935 571750526 /nfs/dbraw/zinc/75/05/26/571750526.db2.gz ALHZKWUMZTUMNE-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](C)CCC[C@H](C)[NH2+]CC ZINC000070743936 571750024 /nfs/dbraw/zinc/75/00/24/571750024.db2.gz ALHZKWUMZTUMNE-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)CCC[C@@H](C)CC ZINC000070743971 571751325 /nfs/dbraw/zinc/75/13/25/571751325.db2.gz MKQGFQNLMJYOKV-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@H](C)CCC[C@@H](C)CC ZINC000070743972 571750790 /nfs/dbraw/zinc/75/07/90/571750790.db2.gz MKQGFQNLMJYOKV-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)CCC[C@H](C)CC ZINC000070743973 571750390 /nfs/dbraw/zinc/75/03/90/571750390.db2.gz MKQGFQNLMJYOKV-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@H](C)CCC[C@H](C)CC ZINC000070743974 571750537 /nfs/dbraw/zinc/75/05/37/571750537.db2.gz MKQGFQNLMJYOKV-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)CCCC1CCCC1 ZINC000070743975 571750520 /nfs/dbraw/zinc/75/05/20/571750520.db2.gz UFMAVHQBOGLVJZ-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@H](C)CCCC1CCCC1 ZINC000070743976 571750146 /nfs/dbraw/zinc/75/01/46/571750146.db2.gz UFMAVHQBOGLVJZ-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H](C)CCCCC(C)(C)C ZINC000070744023 572737644 /nfs/dbraw/zinc/73/76/44/572737644.db2.gz FHQNNUSPXXLOCE-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@H](C)CCCCC(C)(C)C ZINC000070744024 571750467 /nfs/dbraw/zinc/75/04/67/571750467.db2.gz FHQNNUSPXXLOCE-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@@H](C)CCCCC(C)C ZINC000070744027 571750773 /nfs/dbraw/zinc/75/07/73/571750773.db2.gz SUQJBRHKBHNDOK-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@H](C)CCCCC(C)C ZINC000070744028 571751129 /nfs/dbraw/zinc/75/11/29/571751129.db2.gz SUQJBRHKBHNDOK-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@H](C)CCC[C@H](C)CCC ZINC000070744045 571749532 /nfs/dbraw/zinc/74/95/32/571749532.db2.gz HKFSTXOJBIFIHN-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@H](C)CCC[C@@H](C)CCC ZINC000070744046 571750006 /nfs/dbraw/zinc/75/00/06/571750006.db2.gz HKFSTXOJBIFIHN-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@@H](C)CCC[C@H](C)CCC ZINC000070744047 571749466 /nfs/dbraw/zinc/74/94/66/571749466.db2.gz HKFSTXOJBIFIHN-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@@H](C)CCC[C@@H](C)CCC ZINC000070744048 571749976 /nfs/dbraw/zinc/74/99/76/571749976.db2.gz HKFSTXOJBIFIHN-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@@H]1CC[C@H]([NH2+]CC)C1 ZINC000070744401 571750009 /nfs/dbraw/zinc/75/00/09/571750009.db2.gz RNMOLZACHLGIJJ-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H]1CC[C@H]([NH2+]CC)C1 ZINC000070744402 571751372 /nfs/dbraw/zinc/75/13/72/571751372.db2.gz RNMOLZACHLGIJJ-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@@H]1CC[C@@H]([NH2+]CC)C1 ZINC000070744403 571749811 /nfs/dbraw/zinc/74/98/11/571749811.db2.gz RNMOLZACHLGIJJ-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H]1CC[C@@H]([NH2+]CC)C1 ZINC000070744404 571750351 /nfs/dbraw/zinc/75/03/51/571750351.db2.gz RNMOLZACHLGIJJ-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H]1CC[C@H](CCC(C)(C)C)C1 ZINC000070744509 571749729 /nfs/dbraw/zinc/74/97/29/571749729.db2.gz MEUUEJZPZAESBU-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CC[C@H](CCC(C)(C)C)C1 ZINC000070744510 571751198 /nfs/dbraw/zinc/75/11/98/571751198.db2.gz MEUUEJZPZAESBU-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CC[C@@H](CCC(C)(C)C)C1 ZINC000070744511 571750114 /nfs/dbraw/zinc/75/01/14/571750114.db2.gz MEUUEJZPZAESBU-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CC[C@@H](CCC(C)(C)C)C1 ZINC000070744512 571749713 /nfs/dbraw/zinc/74/97/13/571749713.db2.gz MEUUEJZPZAESBU-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@@H]1CC[C@H]([NH2+]CC)C1 ZINC000070744593 571749461 /nfs/dbraw/zinc/74/94/61/571749461.db2.gz FMABSGLCLCCWPJ-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@@H]1CC[C@H]([NH2+]CC)C1 ZINC000070744594 571751053 /nfs/dbraw/zinc/75/10/53/571751053.db2.gz FMABSGLCLCCWPJ-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@H]1CC[C@H]([NH2+]CC)C1 ZINC000070744595 571750003 /nfs/dbraw/zinc/75/00/03/571750003.db2.gz FMABSGLCLCCWPJ-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@H]1CC[C@H]([NH2+]CC)C1 ZINC000070744596 571750557 /nfs/dbraw/zinc/75/05/57/571750557.db2.gz FMABSGLCLCCWPJ-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@H](C[C@@H](C)CC)C1 ZINC000070744673 571750743 /nfs/dbraw/zinc/75/07/43/571750743.db2.gz KEKXXEOJEZYYSM-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CC[C@H](C[C@@H](C)CC)C1 ZINC000070744674 571751047 /nfs/dbraw/zinc/75/10/47/571751047.db2.gz KEKXXEOJEZYYSM-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@@H](C[C@@H](C)CC)C1 ZINC000070744675 571751284 /nfs/dbraw/zinc/75/12/84/571751284.db2.gz KEKXXEOJEZYYSM-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CC[C@@H](C[C@@H](C)CC)C1 ZINC000070744676 571749844 /nfs/dbraw/zinc/74/98/44/571749844.db2.gz KEKXXEOJEZYYSM-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@@H]1CCC[C@H]([NH2+]C)C1 ZINC000070744873 571750384 /nfs/dbraw/zinc/75/03/84/571750384.db2.gz DWDLUGVSCGYKPM-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H]1CCC[C@H]([NH2+]C)C1 ZINC000070744874 571749741 /nfs/dbraw/zinc/74/97/41/571749741.db2.gz DWDLUGVSCGYKPM-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@@H]1CCC[C@@H]([NH2+]C)C1 ZINC000070744875 571751298 /nfs/dbraw/zinc/75/12/98/571751298.db2.gz DWDLUGVSCGYKPM-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H]1CCC[C@@H]([NH2+]C)C1 ZINC000070744876 571751138 /nfs/dbraw/zinc/75/11/38/571751138.db2.gz DWDLUGVSCGYKPM-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO C[NH2+][C@H]1CCC[C@@H](CCC(C)(C)C)C1 ZINC000070744985 571751076 /nfs/dbraw/zinc/75/10/76/571751076.db2.gz YXSCXTSTABIWAH-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H]1CCC[C@H](CCC(C)(C)C)C1 ZINC000070744986 571750365 /nfs/dbraw/zinc/75/03/65/571750365.db2.gz YXSCXTSTABIWAH-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H]1CCC[C@@H](CCC(C)(C)C)C1 ZINC000070744987 571749911 /nfs/dbraw/zinc/74/99/11/571749911.db2.gz YXSCXTSTABIWAH-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H]1CCC[C@H](CCC(C)(C)C)C1 ZINC000070744988 571750980 /nfs/dbraw/zinc/75/09/80/571750980.db2.gz YXSCXTSTABIWAH-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@@H]1CCC[C@H]([NH2+]C)C1 ZINC000070745069 571749594 /nfs/dbraw/zinc/74/95/94/571749594.db2.gz JUERSFRUIACVII-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@@H]1CCC[C@H]([NH2+]C)C1 ZINC000070745070 571750356 /nfs/dbraw/zinc/75/03/56/571750356.db2.gz JUERSFRUIACVII-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@H]1CCC[C@H]([NH2+]C)C1 ZINC000070745071 571749751 /nfs/dbraw/zinc/74/97/51/571749751.db2.gz JUERSFRUIACVII-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@H]1CCC[C@H]([NH2+]C)C1 ZINC000070745072 571750736 /nfs/dbraw/zinc/75/07/36/571750736.db2.gz JUERSFRUIACVII-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCC[C@@H](C[C@@H](C)CC)C1 ZINC000070745146 571749518 /nfs/dbraw/zinc/74/95/18/571749518.db2.gz VLRBRVCGYIHCAF-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCC[C@H](C[C@@H](C)CC)C1 ZINC000070745148 571751068 /nfs/dbraw/zinc/75/10/68/571751068.db2.gz VLRBRVCGYIHCAF-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@H]1CCC[C@H]([NH2+]CC)C1 ZINC000070745165 571750111 /nfs/dbraw/zinc/75/01/11/571750111.db2.gz TZTKVMDCCWTROL-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H]1CCC[C@H]([NH2+]CC)C1 ZINC000070745166 571751214 /nfs/dbraw/zinc/75/12/14/571751214.db2.gz TZTKVMDCCWTROL-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@@H]1CCC[C@@H]([NH2+]CC)C1 ZINC000070745167 571751034 /nfs/dbraw/zinc/75/10/34/571751034.db2.gz TZTKVMDCCWTROL-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H]1CCC[C@@H]([NH2+]CC)C1 ZINC000070745168 571750388 /nfs/dbraw/zinc/75/03/88/571750388.db2.gz TZTKVMDCCWTROL-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H]1CCC[C@H](CCC(C)C)C1 ZINC000070745229 571751056 /nfs/dbraw/zinc/75/10/56/571751056.db2.gz HXMUTMPPNVQLIB-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCC[C@H](CCC(C)C)C1 ZINC000070745230 571750342 /nfs/dbraw/zinc/75/03/42/571750342.db2.gz HXMUTMPPNVQLIB-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCC[C@@H](CCC(C)C)C1 ZINC000070745231 571750827 /nfs/dbraw/zinc/75/08/27/571750827.db2.gz HXMUTMPPNVQLIB-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCC[C@@H](CCC(C)C)C1 ZINC000070745232 571751357 /nfs/dbraw/zinc/75/13/57/571751357.db2.gz HXMUTMPPNVQLIB-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@H](C(C)(C)C)C1 ZINC000070745309 571750759 /nfs/dbraw/zinc/75/07/59/571750759.db2.gz MDJYCURSKLLSHY-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCC[C@H](C(C)(C)C)C1 ZINC000070745310 571749964 /nfs/dbraw/zinc/74/99/64/571749964.db2.gz MDJYCURSKLLSHY-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)C1 ZINC000070745311 571751228 /nfs/dbraw/zinc/75/12/28/571751228.db2.gz MDJYCURSKLLSHY-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCC[C@@H](C(C)(C)C)C1 ZINC000070745312 571750069 /nfs/dbraw/zinc/75/00/69/571750069.db2.gz MDJYCURSKLLSHY-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000070745341 571749578 /nfs/dbraw/zinc/74/95/78/571749578.db2.gz KWJBWGLIOJIXGH-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000070745342 571750719 /nfs/dbraw/zinc/75/07/19/571750719.db2.gz KWJBWGLIOJIXGH-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000070745343 571750471 /nfs/dbraw/zinc/75/04/71/571750471.db2.gz KWJBWGLIOJIXGH-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000070745344 571751405 /nfs/dbraw/zinc/75/14/05/571751405.db2.gz KWJBWGLIOJIXGH-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1CCC[C@H]([NH2+]CCC)C1 ZINC000070745377 571751096 /nfs/dbraw/zinc/75/10/96/571751096.db2.gz MOVLYLUUBSQQSX-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H]1CCC[C@H]([NH2+]CCC)C1 ZINC000070745378 571749982 /nfs/dbraw/zinc/74/99/82/571749982.db2.gz MOVLYLUUBSQQSX-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H]1CCC[C@@H]([NH2+]CCC)C1 ZINC000070745379 571750453 /nfs/dbraw/zinc/75/04/53/571750453.db2.gz MOVLYLUUBSQQSX-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H]1CCC[C@@H]([NH2+]CCC)C1 ZINC000070745380 571750457 /nfs/dbraw/zinc/75/04/57/571750457.db2.gz MOVLYLUUBSQQSX-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](CCC[C@@H](C)CC)[NH2+]C ZINC000070745483 571751254 /nfs/dbraw/zinc/75/12/54/571751254.db2.gz POGIIFUMWWIPSJ-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](CCC[C@@H](C)CC)[NH2+]C ZINC000070745485 571750691 /nfs/dbraw/zinc/75/06/91/571750691.db2.gz POGIIFUMWWIPSJ-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](CCC[C@H](C)CC)[NH2+]C ZINC000070745487 571750101 /nfs/dbraw/zinc/75/01/01/571750101.db2.gz POGIIFUMWWIPSJ-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](CCC[C@H](C)CC)[NH2+]C ZINC000070745490 571749587 /nfs/dbraw/zinc/74/95/87/571749587.db2.gz POGIIFUMWWIPSJ-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](CCCCC(C)(C)C)[NH2+]C ZINC000070745551 571751202 /nfs/dbraw/zinc/75/12/02/571751202.db2.gz CYHPTKNQGLNHDO-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](CCCCC(C)(C)C)[NH2+]C ZINC000070745553 571750464 /nfs/dbraw/zinc/75/04/64/571750464.db2.gz CYHPTKNQGLNHDO-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@@H](C)CCC[C@@H](CCC)[NH2+]C ZINC000070745578 571749667 /nfs/dbraw/zinc/74/96/67/571749667.db2.gz UJWVJBTZONCNAF-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](CCC[C@@H](C)CCC)[NH2+]C ZINC000070745581 571751121 /nfs/dbraw/zinc/75/11/21/571751121.db2.gz UJWVJBTZONCNAF-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@@H](C)CCC[C@H](CCC)[NH2+]C ZINC000070745583 571751395 /nfs/dbraw/zinc/75/13/95/571751395.db2.gz UJWVJBTZONCNAF-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](C)CCC[C@H](CCC)[NH2+]C ZINC000070745584 571750129 /nfs/dbraw/zinc/75/01/29/571750129.db2.gz UJWVJBTZONCNAF-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@@H](CCC[C@@H](C)CC)[NH2+]CC ZINC000070745618 571750200 /nfs/dbraw/zinc/75/02/00/571750200.db2.gz WQPNUFLFLUSILN-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](CCC[C@@H](C)CC)[NH2+]CC ZINC000070745619 571749837 /nfs/dbraw/zinc/74/98/37/571749837.db2.gz WQPNUFLFLUSILN-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@@H](CCC[C@H](C)CC)[NH2+]CC ZINC000070745620 571750018 /nfs/dbraw/zinc/75/00/18/571750018.db2.gz WQPNUFLFLUSILN-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](CCC[C@H](C)CC)[NH2+]CC ZINC000070745621 571750882 /nfs/dbraw/zinc/75/08/82/571750882.db2.gz WQPNUFLFLUSILN-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@@H](CCCCC(C)C)[NH2+]CC ZINC000070745648 571750446 /nfs/dbraw/zinc/75/04/46/571750446.db2.gz WVHYPIHCFHFMFO-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](CCCCC(C)C)[NH2+]CC ZINC000070745649 571751366 /nfs/dbraw/zinc/75/13/66/571751366.db2.gz WVHYPIHCFHFMFO-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CC[C@@H](C)C[C@@H]1CCCC[C@H]([NH2+]C)C1 ZINC000070745760 571749916 /nfs/dbraw/zinc/74/99/16/571749916.db2.gz RIEZYMNYHKAQGB-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@@H]1CCCC[C@H]([NH2+]C)C1 ZINC000070745762 571751123 /nfs/dbraw/zinc/75/11/23/571751123.db2.gz RIEZYMNYHKAQGB-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[C@H]1CCCC[C@H]([NH2+]C)C1 ZINC000070745763 571749950 /nfs/dbraw/zinc/74/99/50/571749950.db2.gz RIEZYMNYHKAQGB-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@H]1CCCC[C@H]([NH2+]C)C1 ZINC000070745764 571750473 /nfs/dbraw/zinc/75/04/73/571750473.db2.gz RIEZYMNYHKAQGB-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCCC[C@H](C(C)(C)C)C1 ZINC000070745971 343528946 /nfs/dbraw/zinc/52/89/46/343528946.db2.gz JGIPCIXOKSYYSM-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCCC[C@H](C(C)(C)C)C1 ZINC000070745972 343528859 /nfs/dbraw/zinc/52/88/59/343528859.db2.gz JGIPCIXOKSYYSM-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCCC[C@@H](C(C)(C)C)C1 ZINC000070745973 343528775 /nfs/dbraw/zinc/52/87/75/343528775.db2.gz JGIPCIXOKSYYSM-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCCC[C@@H](C(C)(C)C)C1 ZINC000070745974 343528758 /nfs/dbraw/zinc/52/87/58/343528758.db2.gz JGIPCIXOKSYYSM-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1CCCC[C@H]([NH2+]CC)C1 ZINC000070746074 571751215 /nfs/dbraw/zinc/75/12/15/571751215.db2.gz BAKXSWCGODLNCX-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H]1CCCC[C@H]([NH2+]CC)C1 ZINC000070746075 571750687 /nfs/dbraw/zinc/75/06/87/571750687.db2.gz BAKXSWCGODLNCX-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H]1CCCC[C@@H]([NH2+]CC)C1 ZINC000070746077 571751143 /nfs/dbraw/zinc/75/11/43/571751143.db2.gz BAKXSWCGODLNCX-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H]1CCCC[C@@H]([NH2+]CC)C1 ZINC000070746078 571751025 /nfs/dbraw/zinc/75/10/25/571751025.db2.gz BAKXSWCGODLNCX-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H]1CCCC[C@H](C(C)C)C1 ZINC000070746264 571749855 /nfs/dbraw/zinc/74/98/55/571749855.db2.gz OJVYZQOLHPPTPE-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCCC[C@H](C(C)C)C1 ZINC000070746266 571749834 /nfs/dbraw/zinc/74/98/34/571749834.db2.gz OJVYZQOLHPPTPE-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCCC[C@@H](C(C)C)C1 ZINC000070746268 571751350 /nfs/dbraw/zinc/75/13/50/571751350.db2.gz OJVYZQOLHPPTPE-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCCC[C@@H](C(C)C)C1 ZINC000070746269 571750429 /nfs/dbraw/zinc/75/04/29/571750429.db2.gz OJVYZQOLHPPTPE-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](CC[C@@H]1CCC[C@H](C)C1)[NH2+]C ZINC000070746390 571750540 /nfs/dbraw/zinc/75/05/40/571750540.db2.gz CFASNGWHSPXYMR-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](CC[C@H]1CCC[C@H](C)C1)[NH2+]C ZINC000070746392 571749604 /nfs/dbraw/zinc/74/96/04/571749604.db2.gz CFASNGWHSPXYMR-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](CCCCC(C)(C)C)[NH2+]C ZINC000070746411 572736666 /nfs/dbraw/zinc/73/66/66/572736666.db2.gz WVFZEQANLHLOAY-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CC[C@H](CCCCC(C)(C)C)[NH2+]C ZINC000070746412 571750279 /nfs/dbraw/zinc/75/02/79/571750279.db2.gz WVFZEQANLHLOAY-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CC[C@@H](CCCC1CCCCC1)[NH2+]C ZINC000070746473 571884138 /nfs/dbraw/zinc/88/41/38/571884138.db2.gz DIHFFWZGYCPZDV-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@H](CCCC1CCCCC1)[NH2+]C ZINC000070746476 571883681 /nfs/dbraw/zinc/88/36/81/571883681.db2.gz DIHFFWZGYCPZDV-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](C)CCC[C@@H](CC)[NH2+]C ZINC000070746483 571750516 /nfs/dbraw/zinc/75/05/16/571750516.db2.gz UKONIURHCFBYLK-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](C)CCC[C@@H](CC)[NH2+]C ZINC000070746484 571751269 /nfs/dbraw/zinc/75/12/69/571751269.db2.gz UKONIURHCFBYLK-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](C)CCC[C@H](CC)[NH2+]C ZINC000070746485 571751217 /nfs/dbraw/zinc/75/12/17/571751217.db2.gz UKONIURHCFBYLK-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](C)CCC[C@H](CC)[NH2+]C ZINC000070746486 571750550 /nfs/dbraw/zinc/75/05/50/571750550.db2.gz UKONIURHCFBYLK-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@H](CC)CCC[C@H](C)CC ZINC000070746548 571751203 /nfs/dbraw/zinc/75/12/03/571751203.db2.gz DCIIGFFCDZRNOC-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@H](CC)CCC[C@@H](C)CC ZINC000070746549 571751205 /nfs/dbraw/zinc/75/12/05/571751205.db2.gz DCIIGFFCDZRNOC-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@@H](CC)CCC[C@H](C)CC ZINC000070746550 571750716 /nfs/dbraw/zinc/75/07/16/571750716.db2.gz DCIIGFFCDZRNOC-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@@H](CC)CCC[C@@H](C)CC ZINC000070746552 571750285 /nfs/dbraw/zinc/75/02/85/571750285.db2.gz DCIIGFFCDZRNOC-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@@H](CC)CCCC1CCCC1 ZINC000070746553 571750481 /nfs/dbraw/zinc/75/04/81/571750481.db2.gz MFKZBNIFVAOBLS-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@H](CC)CCCC1CCCC1 ZINC000070746554 571749747 /nfs/dbraw/zinc/74/97/47/571749747.db2.gz MFKZBNIFVAOBLS-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H](CC)CCCCC(C)(C)C ZINC000070746640 571750663 /nfs/dbraw/zinc/75/06/63/571750663.db2.gz VLZTUUJFTLPXSH-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CC[NH2+][C@H](CC)CCCCC(C)(C)C ZINC000070746643 571750050 /nfs/dbraw/zinc/75/00/50/571750050.db2.gz VLZTUUJFTLPXSH-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CC[NH2+][C@@H](CC)CCCCC(C)C ZINC000070746648 571751093 /nfs/dbraw/zinc/75/10/93/571751093.db2.gz CCQZLKUUKLVANJ-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@H](CC)CCCCC(C)C ZINC000070746649 571750544 /nfs/dbraw/zinc/75/05/44/571750544.db2.gz CCQZLKUUKLVANJ-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](C)CCC[C@@H](CC)[NH2+]CC ZINC000070746685 571750701 /nfs/dbraw/zinc/75/07/01/571750701.db2.gz ZHXSAGSCEQNLHY-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](C)CCC[C@@H](CC)[NH2+]CC ZINC000070746687 571750250 /nfs/dbraw/zinc/75/02/50/571750250.db2.gz ZHXSAGSCEQNLHY-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@@H](C)CCC[C@H](CC)[NH2+]CC ZINC000070746690 571750822 /nfs/dbraw/zinc/75/08/22/571750822.db2.gz ZHXSAGSCEQNLHY-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](C)CCC[C@H](CC)[NH2+]CC ZINC000070746694 571751141 /nfs/dbraw/zinc/75/11/41/571751141.db2.gz ZHXSAGSCEQNLHY-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@@H](CC)CCC[C@@H](C)CC ZINC000070746732 571750124 /nfs/dbraw/zinc/75/01/24/571750124.db2.gz NFPGSOZVSGOSFN-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@H](CC)CCC[C@@H](C)CC ZINC000070746734 571750397 /nfs/dbraw/zinc/75/03/97/571750397.db2.gz NFPGSOZVSGOSFN-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@@H](CC)CCC[C@H](C)CC ZINC000070746736 571750153 /nfs/dbraw/zinc/75/01/53/571750153.db2.gz NFPGSOZVSGOSFN-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@H](CC)CCC[C@H](C)CC ZINC000070746737 571750529 /nfs/dbraw/zinc/75/05/29/571750529.db2.gz NFPGSOZVSGOSFN-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@@H](CC)CCCCC(C)C ZINC000070746770 571750327 /nfs/dbraw/zinc/75/03/27/571750327.db2.gz CEKPKIIFPXLFQA-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@H](CC)CCCCC(C)C ZINC000070746771 571750782 /nfs/dbraw/zinc/75/07/82/571750782.db2.gz CEKPKIIFPXLFQA-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO C[NH2+][C@H](CCCC1CCCC1)C(C)C ZINC000070746830 571750793 /nfs/dbraw/zinc/75/07/93/571750793.db2.gz MXRYHLXCYWBDOS-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](CCCC1CCCC1)C(C)C ZINC000070746831 571749758 /nfs/dbraw/zinc/74/97/58/571749758.db2.gz MXRYHLXCYWBDOS-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](CCCCC(C)(C)C)C(C)C ZINC000070746894 571750228 /nfs/dbraw/zinc/75/02/28/571750228.db2.gz AUYKYRDUYLGURD-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@@H](CCCCC(C)(C)C)C(C)C ZINC000070746896 571751107 /nfs/dbraw/zinc/75/11/07/571751107.db2.gz AUYKYRDUYLGURD-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)CCC[C@H]([NH2+]C)C(C)C ZINC000070746924 571750331 /nfs/dbraw/zinc/75/03/31/571750331.db2.gz QCUYEBPNERYPKR-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)CCC[C@H]([NH2+]C)C(C)C ZINC000070746926 571750626 /nfs/dbraw/zinc/75/06/26/571750626.db2.gz QCUYEBPNERYPKR-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)CCC[C@@H]([NH2+]C)C(C)C ZINC000070746928 571751260 /nfs/dbraw/zinc/75/12/60/571751260.db2.gz QCUYEBPNERYPKR-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)CCC[C@@H]([NH2+]C)C(C)C ZINC000070746929 571751212 /nfs/dbraw/zinc/75/12/12/571751212.db2.gz QCUYEBPNERYPKR-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CCC[C@H](C)CC)C(C)C ZINC000070746949 571749800 /nfs/dbraw/zinc/74/98/00/571749800.db2.gz UAJITTSXOHJIOW-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CCC[C@@H](C)CC)C(C)C ZINC000070746950 571749774 /nfs/dbraw/zinc/74/97/74/571749774.db2.gz UAJITTSXOHJIOW-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CCC[C@H](C)CC)C(C)C ZINC000070746952 571750015 /nfs/dbraw/zinc/75/00/15/571750015.db2.gz UAJITTSXOHJIOW-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CCC[C@@H](C)CC)C(C)C ZINC000070746954 571750929 /nfs/dbraw/zinc/75/09/29/571750929.db2.gz UAJITTSXOHJIOW-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@@H](CCCCC(C)(C)C)C1CC1 ZINC000070747165 571750209 /nfs/dbraw/zinc/75/02/09/571750209.db2.gz WGMOQMHAWXYAKF-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](CCCCC(C)(C)C)C1CC1 ZINC000070747167 571751266 /nfs/dbraw/zinc/75/12/66/571751266.db2.gz WGMOQMHAWXYAKF-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)CCC[C@H]([NH2+]C)C1CC1 ZINC000070747191 571749886 /nfs/dbraw/zinc/74/98/86/571749886.db2.gz JWJJCSXXNYSIRI-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)CCC[C@H]([NH2+]C)C1CC1 ZINC000070747192 571751225 /nfs/dbraw/zinc/75/12/25/571751225.db2.gz JWJJCSXXNYSIRI-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)CCC[C@@H]([NH2+]C)C1CC1 ZINC000070747193 571751189 /nfs/dbraw/zinc/75/11/89/571751189.db2.gz JWJJCSXXNYSIRI-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)CCC[C@@H]([NH2+]C)C1CC1 ZINC000070747195 571751369 /nfs/dbraw/zinc/75/13/69/571751369.db2.gz JWJJCSXXNYSIRI-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CCC[C@H](C)CC)C1CC1 ZINC000070747216 571750000 /nfs/dbraw/zinc/75/00/00/571750000.db2.gz YRGYVXHOYHASDX-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CCC[C@@H](C)CC)C1CC1 ZINC000070747218 571751082 /nfs/dbraw/zinc/75/10/82/571751082.db2.gz YRGYVXHOYHASDX-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC[C@H](C)CC)C1CC1 ZINC000070747220 571750380 /nfs/dbraw/zinc/75/03/80/571750380.db2.gz YRGYVXHOYHASDX-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC[C@@H](C)CC)C1CC1 ZINC000070747222 571750832 /nfs/dbraw/zinc/75/08/32/571750832.db2.gz YRGYVXHOYHASDX-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)CCC[C@H]([NH2+]C)C(C)(C)C ZINC000070747321 571751080 /nfs/dbraw/zinc/75/10/80/571751080.db2.gz UGSGRSMOZXRTPW-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)CCC[C@H]([NH2+]C)C(C)(C)C ZINC000070747323 571750368 /nfs/dbraw/zinc/75/03/68/571750368.db2.gz UGSGRSMOZXRTPW-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)CCC[C@@H]([NH2+]C)C(C)(C)C ZINC000070747324 571750498 /nfs/dbraw/zinc/75/04/98/571750498.db2.gz UGSGRSMOZXRTPW-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)CCC[C@@H]([NH2+]C)C(C)(C)C ZINC000070747325 571751102 /nfs/dbraw/zinc/75/11/02/571751102.db2.gz UGSGRSMOZXRTPW-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@@H](CCCCC(C)C)C(C)(C)C ZINC000070747356 571749476 /nfs/dbraw/zinc/74/94/76/571749476.db2.gz JXBSATOWFIBDKO-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@H](CCCCC(C)C)C(C)(C)C ZINC000070747357 571751219 /nfs/dbraw/zinc/75/12/19/571751219.db2.gz JXBSATOWFIBDKO-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](CCC1CC1)C(C)(C)C ZINC000070747455 571749861 /nfs/dbraw/zinc/74/98/61/571749861.db2.gz NWCJKTRHKPDDGO-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CCC1CC1)C(C)(C)C ZINC000070747457 571749491 /nfs/dbraw/zinc/74/94/91/571749491.db2.gz NWCJKTRHKPDDGO-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CC[C@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000070760779 571753337 /nfs/dbraw/zinc/75/33/37/571753337.db2.gz NYTABAZHOLDYLA-AVGNSLFASA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]1CC[C@@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000070760781 571753684 /nfs/dbraw/zinc/75/36/84/571753684.db2.gz NYTABAZHOLDYLA-RWMBFGLXSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]1CC[C@H]([NH2+]CCCC(C)C)C1 ZINC000070761809 571753973 /nfs/dbraw/zinc/75/39/73/571753973.db2.gz AONAPUIHROAFOB-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CC[C@H]([NH2+]CCCC(C)C)C1 ZINC000070761812 571752151 /nfs/dbraw/zinc/75/21/51/571752151.db2.gz AONAPUIHROAFOB-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC000070761814 571753257 /nfs/dbraw/zinc/75/32/57/571753257.db2.gz AONAPUIHROAFOB-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC000070761816 571754249 /nfs/dbraw/zinc/75/42/49/571754249.db2.gz AONAPUIHROAFOB-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](CC)C1 ZINC000070761977 571753231 /nfs/dbraw/zinc/75/32/31/571753231.db2.gz RNCZXNBZABMGCR-RVMXOQNASA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000070761980 571752271 /nfs/dbraw/zinc/75/22/71/571752271.db2.gz RNCZXNBZABMGCR-WUHRBBMRSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]([NH2+][C@H]1CC[C@@H](CC)C1)C(C)C ZINC000070762011 571752248 /nfs/dbraw/zinc/75/22/48/571752248.db2.gz JKHRUPZFFUGPTD-AGIUHOORSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]([NH2+][C@@H]1CC[C@@H](CC)C1)C(C)C ZINC000070762014 571752055 /nfs/dbraw/zinc/75/20/55/571752055.db2.gz JKHRUPZFFUGPTD-UPJWGTAASA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](CC)[NH2+][C@@H]1CC[C@H](CC)C1 ZINC000070762391 571753571 /nfs/dbraw/zinc/75/35/71/571753571.db2.gz SPYXQQUOAYSZDB-RWMBFGLXSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@H](CC)[NH2+][C@H]1CC[C@H](CC)C1 ZINC000070762395 571753255 /nfs/dbraw/zinc/75/32/55/571753255.db2.gz SPYXQQUOAYSZDB-AVGNSLFASA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H](C)[NH2+][C@@H]1CC[C@H](CC)C1 ZINC000070762417 571754298 /nfs/dbraw/zinc/75/42/98/571754298.db2.gz GZONXMDRTKUIOC-RWMBFGLXSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H](C)[NH2+][C@H]1CC[C@H](CC)C1 ZINC000070762422 571753212 /nfs/dbraw/zinc/75/32/12/571753212.db2.gz GZONXMDRTKUIOC-AVGNSLFASA-N 1 0 197.366 3.733 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000070762876 571753515 /nfs/dbraw/zinc/75/35/15/571753515.db2.gz WMZPMRRFHFHAGK-GMXVVIOVSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000070762880 571754149 /nfs/dbraw/zinc/75/41/49/571754149.db2.gz WMZPMRRFHFHAGK-GVXVVHGQSA-N 1 0 197.366 3.589 10 0 AHAERO CCCCCC[C@]1([NH3+])CC[C@H](CC)C1 ZINC000070769138 571752096 /nfs/dbraw/zinc/75/20/96/571752096.db2.gz XUBWZMZSQDLCJG-STQMWFEESA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@@]1([NH3+])CC[C@H](CC)C1 ZINC000070769144 571753755 /nfs/dbraw/zinc/75/37/55/571753755.db2.gz XUBWZMZSQDLCJG-QWHCGFSZSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@]1([NH3+])CC[C@@H](CC)C1 ZINC000070769148 571752709 /nfs/dbraw/zinc/75/27/09/571752709.db2.gz XUBWZMZSQDLCJG-OLZOCXBDSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@@]1([NH3+])CC[C@@H](CC)C1 ZINC000070769152 571752694 /nfs/dbraw/zinc/75/26/94/571752694.db2.gz XUBWZMZSQDLCJG-CHWSQXEVSA-N 1 0 197.366 3.864 10 0 AHAERO CC[C@@H]1CC[C@]([NH3+])(CCC(C)(C)C)C1 ZINC000070769648 571753273 /nfs/dbraw/zinc/75/32/73/571753273.db2.gz RDPCDLHZPIWUEE-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CC[C@]([NH3+])(CCC(C)(C)C)C1 ZINC000070769651 571753169 /nfs/dbraw/zinc/75/31/69/571753169.db2.gz RDPCDLHZPIWUEE-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]1CC[C@@]([NH3+])(CCC(C)(C)C)C1 ZINC000070769657 571754080 /nfs/dbraw/zinc/75/40/80/571754080.db2.gz RDPCDLHZPIWUEE-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CC[C@@]([NH3+])(CCC(C)(C)C)C1 ZINC000070769661 571753265 /nfs/dbraw/zinc/75/32/65/571753265.db2.gz RDPCDLHZPIWUEE-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@]1([NH3+])CC[C@H](CC)C1 ZINC000070769750 571753050 /nfs/dbraw/zinc/75/30/50/571753050.db2.gz TZAWXOFJTPSTSG-RWMBFGLXSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@@]1([NH3+])CC[C@H](CC)C1 ZINC000070769756 571752177 /nfs/dbraw/zinc/75/21/77/571752177.db2.gz TZAWXOFJTPSTSG-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000070826974 571757876 /nfs/dbraw/zinc/75/78/76/571757876.db2.gz VENOZCPYIABOBQ-YNEHKIRRSA-N 1 0 197.366 3.733 10 0 AHAERO CCCCC[C@@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000070826979 571758303 /nfs/dbraw/zinc/75/83/03/571758303.db2.gz VENOZCPYIABOBQ-XQQFMLRXSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@@H](CC)CC[C@H]([NH3+])C1CC1 ZINC000071003147 571766133 /nfs/dbraw/zinc/76/61/33/571766133.db2.gz RMMKSKIQLAWVNW-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)CC[C@H]([NH3+])C1CC1 ZINC000071003148 571764701 /nfs/dbraw/zinc/76/47/01/571764701.db2.gz RMMKSKIQLAWVNW-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H](CC)CC[C@@H]([NH3+])C1CC1 ZINC000071003150 571766681 /nfs/dbraw/zinc/76/66/81/571766681.db2.gz RMMKSKIQLAWVNW-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)CC[C@@H]([NH3+])C1CC1 ZINC000071003151 571765606 /nfs/dbraw/zinc/76/56/06/571765606.db2.gz RMMKSKIQLAWVNW-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)CC[C@H]([NH2+]CC)C1CC1 ZINC000071003606 571765692 /nfs/dbraw/zinc/76/56/92/571765692.db2.gz FXNZHCLRJFRFOQ-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)CC[C@H]([NH2+]CC)C1CC1 ZINC000071003608 571765879 /nfs/dbraw/zinc/76/58/79/571765879.db2.gz FXNZHCLRJFRFOQ-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)CC[C@@H]([NH2+]CC)C1CC1 ZINC000071003610 571766039 /nfs/dbraw/zinc/76/60/39/571766039.db2.gz FXNZHCLRJFRFOQ-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)CC[C@@H]([NH2+]CC)C1CC1 ZINC000071003612 571766139 /nfs/dbraw/zinc/76/61/39/571766139.db2.gz FXNZHCLRJFRFOQ-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CCCC(C)(C)C)C1CC1 ZINC000071003722 571765446 /nfs/dbraw/zinc/76/54/46/571765446.db2.gz WEBQOGXOJNGWOM-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCCC(C)(C)C)C1CC1 ZINC000071003724 571766097 /nfs/dbraw/zinc/76/60/97/571766097.db2.gz WEBQOGXOJNGWOM-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC[C@@H](C)CC)C1CC1 ZINC000071003900 571766486 /nfs/dbraw/zinc/76/64/86/571766486.db2.gz HUBATXVJYREBCK-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC[C@@H](C)CC)C1CC1 ZINC000071003901 571765946 /nfs/dbraw/zinc/76/59/46/571765946.db2.gz HUBATXVJYREBCK-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC[C@H](C)CC)C1CC1 ZINC000071003903 571766697 /nfs/dbraw/zinc/76/66/97/571766697.db2.gz HUBATXVJYREBCK-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC[C@H](C)CC)C1CC1 ZINC000071003905 571765292 /nfs/dbraw/zinc/76/52/92/571765292.db2.gz HUBATXVJYREBCK-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CCCC(C)C)C1CC1 ZINC000071003957 571766563 /nfs/dbraw/zinc/76/65/63/571766563.db2.gz DOLLHERNJFVBGF-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CCCC(C)C)C1CC1 ZINC000071003960 571765600 /nfs/dbraw/zinc/76/56/00/571765600.db2.gz DOLLHERNJFVBGF-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)CC[C@H]([NH3+])C(C)C ZINC000071083908 571769465 /nfs/dbraw/zinc/76/94/65/571769465.db2.gz RKXGYCZMADEHOC-OLZOCXBDSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)CC[C@H]([NH3+])C(C)C ZINC000071083909 571769309 /nfs/dbraw/zinc/76/93/09/571769309.db2.gz RKXGYCZMADEHOC-STQMWFEESA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](CC)CC[C@@H]([NH3+])C(C)C ZINC000071083910 571770093 /nfs/dbraw/zinc/77/00/93/571770093.db2.gz RKXGYCZMADEHOC-CHWSQXEVSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)CC[C@@H]([NH3+])C(C)C ZINC000071083911 571770725 /nfs/dbraw/zinc/77/07/25/571770725.db2.gz RKXGYCZMADEHOC-QWHCGFSZSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](CC)[C@@H](C)[NH3+] ZINC000071083988 571767103 /nfs/dbraw/zinc/76/71/03/571767103.db2.gz KNMWSXSJQSCFDC-JHJVBQTASA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)C[C@@H](CC)[C@@H](C)[NH3+] ZINC000071083989 571770346 /nfs/dbraw/zinc/77/03/46/571770346.db2.gz KNMWSXSJQSCFDC-FRRDWIJNSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](CC)C[C@H](CC)[C@@H](C)[NH3+] ZINC000071083990 571768796 /nfs/dbraw/zinc/76/87/96/571768796.db2.gz KNMWSXSJQSCFDC-UPJWGTAASA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)C[C@H](CC)[C@@H](C)[NH3+] ZINC000071083991 571770242 /nfs/dbraw/zinc/77/02/42/571770242.db2.gz KNMWSXSJQSCFDC-AGIUHOORSA-N 1 0 199.382 3.966 10 0 AHAERO CCCCCC[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000071084076 571769517 /nfs/dbraw/zinc/76/95/17/571769517.db2.gz YYZZFMOVXWYFGA-OLZOCXBDSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@H]1CCCCC[C@@H]1[NH3+] ZINC000071084077 571768495 /nfs/dbraw/zinc/76/84/95/571768495.db2.gz YYZZFMOVXWYFGA-STQMWFEESA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@@H]1CCCCC[C@H]1[NH3+] ZINC000071084078 571770706 /nfs/dbraw/zinc/77/07/06/571770706.db2.gz YYZZFMOVXWYFGA-CHWSQXEVSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@H]1CCCCC[C@H]1[NH3+] ZINC000071084079 571770313 /nfs/dbraw/zinc/77/03/13/571770313.db2.gz YYZZFMOVXWYFGA-QWHCGFSZSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000071084124 571769868 /nfs/dbraw/zinc/76/98/68/571769868.db2.gz YSUQYMJZYZOGGI-UPJWGTAASA-N 1 0 197.366 3.720 10 0 AHAERO CCCCCC[C@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000071084125 571768597 /nfs/dbraw/zinc/76/85/97/571768597.db2.gz YSUQYMJZYZOGGI-AGIUHOORSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCCC[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000071084126 571768060 /nfs/dbraw/zinc/76/80/60/571768060.db2.gz YSUQYMJZYZOGGI-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCCC[C@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000071084127 571770351 /nfs/dbraw/zinc/77/03/51/571770351.db2.gz YSUQYMJZYZOGGI-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] ZINC000071084188 571768623 /nfs/dbraw/zinc/76/86/23/571768623.db2.gz CKZSUTJOIUORDS-UPJWGTAASA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@H]1C[C@H](CC)CC[C@@H]1[NH3+] ZINC000071084189 571767565 /nfs/dbraw/zinc/76/75/65/571767565.db2.gz CKZSUTJOIUORDS-AGIUHOORSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000071084190 571770525 /nfs/dbraw/zinc/77/05/25/571770525.db2.gz CKZSUTJOIUORDS-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000071084191 571767934 /nfs/dbraw/zinc/76/79/34/571767934.db2.gz CKZSUTJOIUORDS-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H]1C[C@H](CCC)CC[C@@H]1[NH3+] ZINC000071084260 571767990 /nfs/dbraw/zinc/76/79/90/571767990.db2.gz CMTKEPAIXYTJIJ-UPJWGTAASA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H]1C[C@H](CCC)CC[C@@H]1[NH3+] ZINC000071084261 571768646 /nfs/dbraw/zinc/76/86/46/571768646.db2.gz CMTKEPAIXYTJIJ-AGIUHOORSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1[NH3+] ZINC000071084262 571769513 /nfs/dbraw/zinc/76/95/13/571769513.db2.gz CMTKEPAIXYTJIJ-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H]1C[C@@H](CCC)CC[C@@H]1[NH3+] ZINC000071084263 571768801 /nfs/dbraw/zinc/76/88/01/571768801.db2.gz CMTKEPAIXYTJIJ-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC1([NH3+])CCC(CCC)CC1 ZINC000071084858 571770784 /nfs/dbraw/zinc/77/07/84/571770784.db2.gz IACTVOKEKNEWDV-UHFFFAOYSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCCC1([NH3+])CCC(C)CC1 ZINC000071084872 571769845 /nfs/dbraw/zinc/76/98/45/571769845.db2.gz VJKLYFAUTMOOPB-UHFFFAOYSA-N 1 0 197.366 3.864 10 0 AHAERO CCCC[C@]1([NH3+])C[C@H](C)CC(C)(C)C1 ZINC000071084873 343550669 /nfs/dbraw/zinc/55/06/69/343550669.db2.gz ZZKUQJKBBGGDBH-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@]1([NH3+])C[C@H](C)CC(C)(C)C1 ZINC000071084874 343550758 /nfs/dbraw/zinc/55/07/58/343550758.db2.gz ZZKUQJKBBGGDBH-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@]1([NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000071084875 343550880 /nfs/dbraw/zinc/55/08/80/343550880.db2.gz ZZKUQJKBBGGDBH-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@]1([NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000071084876 343550679 /nfs/dbraw/zinc/55/06/79/343550679.db2.gz ZZKUQJKBBGGDBH-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCCCC1([NH3+])CCC(CC)CC1 ZINC000071084919 571767735 /nfs/dbraw/zinc/76/77/35/571767735.db2.gz IUFAHSPTMFFHKO-UHFFFAOYSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@]1([NH3+])CCCC[C@@H]1C ZINC000071084936 571769195 /nfs/dbraw/zinc/76/91/95/571769195.db2.gz VBUDXTDIGNASCM-STQMWFEESA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@@]1([NH3+])CCCC[C@@H]1C ZINC000071084937 571767111 /nfs/dbraw/zinc/76/71/11/571767111.db2.gz VBUDXTDIGNASCM-QWHCGFSZSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@]1([NH3+])CCCC[C@H]1C ZINC000071084938 571769948 /nfs/dbraw/zinc/76/99/48/571769948.db2.gz VBUDXTDIGNASCM-OLZOCXBDSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@@]1([NH3+])CCCC[C@H]1C ZINC000071084939 571769093 /nfs/dbraw/zinc/76/90/93/571769093.db2.gz VBUDXTDIGNASCM-CHWSQXEVSA-N 1 0 197.366 3.864 10 0 AHAERO CCCC[C@@H](CC)C[C@](C)([NH3+])C(C)C ZINC000071084994 571770305 /nfs/dbraw/zinc/77/03/05/571770305.db2.gz XAVWHNUDZXBCNJ-OLZOCXBDSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)C[C@](C)([NH3+])C(C)C ZINC000071084995 571767365 /nfs/dbraw/zinc/76/73/65/571767365.db2.gz XAVWHNUDZXBCNJ-STQMWFEESA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](CC)C[C@@](C)([NH3+])C(C)C ZINC000071084996 571770438 /nfs/dbraw/zinc/77/04/38/571770438.db2.gz XAVWHNUDZXBCNJ-CHWSQXEVSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)C[C@@](C)([NH3+])C(C)C ZINC000071084997 571768036 /nfs/dbraw/zinc/76/80/36/571768036.db2.gz XAVWHNUDZXBCNJ-QWHCGFSZSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](CC)C[C@H]([NH3+])CC(C)C ZINC000071085149 571768162 /nfs/dbraw/zinc/76/81/62/571768162.db2.gz SBJFUSFLCFZAAZ-CHWSQXEVSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)C[C@H]([NH3+])CC(C)C ZINC000071085150 571768614 /nfs/dbraw/zinc/76/86/14/571768614.db2.gz SBJFUSFLCFZAAZ-QWHCGFSZSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](CC)C[C@@H]([NH3+])CC(C)C ZINC000071085151 571770349 /nfs/dbraw/zinc/77/03/49/571770349.db2.gz SBJFUSFLCFZAAZ-OLZOCXBDSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)C[C@@H]([NH3+])CC(C)C ZINC000071085152 571769371 /nfs/dbraw/zinc/76/93/71/571769371.db2.gz SBJFUSFLCFZAAZ-STQMWFEESA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](CC)C[C@H]([NH3+])C(C)(C)C ZINC000071085171 571768841 /nfs/dbraw/zinc/76/88/41/571768841.db2.gz FLKJOCCQWBOCLY-NEPJUHHUSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)C[C@H]([NH3+])C(C)(C)C ZINC000071085172 571769851 /nfs/dbraw/zinc/76/98/51/571769851.db2.gz FLKJOCCQWBOCLY-RYUDHWBXSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](CC)C[C@@H]([NH3+])C(C)(C)C ZINC000071085173 571770240 /nfs/dbraw/zinc/77/02/40/571770240.db2.gz FLKJOCCQWBOCLY-VXGBXAGGSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)C[C@@H]([NH3+])C(C)(C)C ZINC000071085174 571769962 /nfs/dbraw/zinc/76/99/62/571769962.db2.gz FLKJOCCQWBOCLY-NWDGAFQWSA-N 1 0 199.382 3.966 10 0 AHAERO CCCCC[C@]1([NH3+])CCC[C@H](CC)C1 ZINC000071109626 571767854 /nfs/dbraw/zinc/76/78/54/571767854.db2.gz QXNWBPUQXZOQRM-STQMWFEESA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[C@@]1([NH3+])CCC[C@H](CC)C1 ZINC000071109629 571767469 /nfs/dbraw/zinc/76/74/69/571767469.db2.gz QXNWBPUQXZOQRM-QWHCGFSZSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[C@]1([NH3+])CCC[C@@H](CC)C1 ZINC000071109633 571768820 /nfs/dbraw/zinc/76/88/20/571768820.db2.gz QXNWBPUQXZOQRM-OLZOCXBDSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[C@@]1([NH3+])CCC[C@@H](CC)C1 ZINC000071109636 571767742 /nfs/dbraw/zinc/76/77/42/571767742.db2.gz QXNWBPUQXZOQRM-CHWSQXEVSA-N 1 0 197.366 3.864 10 0 AHAERO CCCC[C@@H](CC)C[C@H](C[NH3+])CCC ZINC000071126464 571775555 /nfs/dbraw/zinc/77/55/55/571775555.db2.gz ATJNZZPNMVSPST-CHWSQXEVSA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@H](CC)C[C@H](C[NH3+])CCC ZINC000071126465 571775148 /nfs/dbraw/zinc/77/51/48/571775148.db2.gz ATJNZZPNMVSPST-QWHCGFSZSA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](C[NH3+])CCC ZINC000071126468 571777052 /nfs/dbraw/zinc/77/70/52/571777052.db2.gz ATJNZZPNMVSPST-OLZOCXBDSA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@H](CC)C[C@@H](C[NH3+])CCC ZINC000071126470 571778270 /nfs/dbraw/zinc/77/82/70/571778270.db2.gz ATJNZZPNMVSPST-STQMWFEESA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](C[NH3+])C(C)C ZINC000071126472 571777531 /nfs/dbraw/zinc/77/75/31/571777531.db2.gz JEIJLYBCJYZNTB-OLZOCXBDSA-N 1 0 199.382 3.824 10 0 AHAERO CCCC[C@H](CC)C[C@@H](C[NH3+])C(C)C ZINC000071126475 571777180 /nfs/dbraw/zinc/77/71/80/571777180.db2.gz JEIJLYBCJYZNTB-STQMWFEESA-N 1 0 199.382 3.824 10 0 AHAERO CCCC[C@@H](CC)C[C@H](C[NH3+])C(C)C ZINC000071126477 571777217 /nfs/dbraw/zinc/77/72/17/571777217.db2.gz JEIJLYBCJYZNTB-CHWSQXEVSA-N 1 0 199.382 3.824 10 0 AHAERO CCCC[C@H](CC)C[C@H](C[NH3+])C(C)C ZINC000071126478 571776615 /nfs/dbraw/zinc/77/66/15/571776615.db2.gz JEIJLYBCJYZNTB-QWHCGFSZSA-N 1 0 199.382 3.824 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](C)C[NH2+]CC ZINC000071126640 571775929 /nfs/dbraw/zinc/77/59/29/571775929.db2.gz UEYYGBOEMBMRSY-CHWSQXEVSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@H](CC)C[C@@H](C)C[NH2+]CC ZINC000071126643 571775267 /nfs/dbraw/zinc/77/52/67/571775267.db2.gz UEYYGBOEMBMRSY-OLZOCXBDSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@@H](CC)C[C@H](C)C[NH2+]CC ZINC000071126645 571776865 /nfs/dbraw/zinc/77/68/65/571776865.db2.gz UEYYGBOEMBMRSY-QWHCGFSZSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@H](CC)C[C@H](C)C[NH2+]CC ZINC000071126647 571777679 /nfs/dbraw/zinc/77/76/79/571777679.db2.gz UEYYGBOEMBMRSY-STQMWFEESA-N 1 0 199.382 3.839 10 0 AHAERO CCCCCC[C@@H](C)C[NH2+]CC(C)C ZINC000071126693 571776071 /nfs/dbraw/zinc/77/60/71/571776071.db2.gz XLSDGCKBAUHUNJ-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCCC[C@H](C)C[NH2+]CC(C)C ZINC000071126694 571777682 /nfs/dbraw/zinc/77/76/82/571777682.db2.gz XLSDGCKBAUHUNJ-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@H](C[NH2+]CCC)CC(C)C ZINC000071126765 571777774 /nfs/dbraw/zinc/77/77/74/571777774.db2.gz OJQAZVMOQWCTPW-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@@H](C[NH2+]CCC)CC(C)C ZINC000071126767 571776663 /nfs/dbraw/zinc/77/66/63/571776663.db2.gz OJQAZVMOQWCTPW-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@@H](C)C[C@@H](CCC)C[NH2+]CC ZINC000071126861 571777227 /nfs/dbraw/zinc/77/72/27/571777227.db2.gz ZRPXKIIUARXAKX-CHWSQXEVSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@@H](C[NH2+]CC)C[C@@H](C)CCC ZINC000071126863 571776838 /nfs/dbraw/zinc/77/68/38/571776838.db2.gz ZRPXKIIUARXAKX-QWHCGFSZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@@H](C)C[C@H](CCC)C[NH2+]CC ZINC000071126865 571775737 /nfs/dbraw/zinc/77/57/37/571775737.db2.gz ZRPXKIIUARXAKX-OLZOCXBDSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@H](C)C[C@H](CCC)C[NH2+]CC ZINC000071126867 571776611 /nfs/dbraw/zinc/77/66/11/571776611.db2.gz ZRPXKIIUARXAKX-STQMWFEESA-N 1 0 199.382 3.839 10 0 AHAERO CCCCCC[C@@H](CCC)C[NH2+]CC ZINC000071126882 571777457 /nfs/dbraw/zinc/77/74/57/571777457.db2.gz KQUIQJZJQDRUCD-CYBMUJFWSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCCC[C@H](CCC)C[NH2+]CC ZINC000071126885 571776476 /nfs/dbraw/zinc/77/64/76/571776476.db2.gz KQUIQJZJQDRUCD-ZDUSSCGKSA-N 1 0 199.382 3.983 10 0 AHAERO CCC[NH2+]C[C@@H](CCC)C[C@@H](C)CC ZINC000071126896 571776130 /nfs/dbraw/zinc/77/61/30/571776130.db2.gz ZFSLUGLDYRJMJY-STQMWFEESA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@H](CCC)C[C@@H](C)CC ZINC000071126898 571775173 /nfs/dbraw/zinc/77/51/73/571775173.db2.gz ZFSLUGLDYRJMJY-QWHCGFSZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@@H](CCC)C[C@H](C)CC ZINC000071126900 571777823 /nfs/dbraw/zinc/77/78/23/571777823.db2.gz ZFSLUGLDYRJMJY-OLZOCXBDSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@H](CCC)C[C@H](C)CC ZINC000071126902 571777029 /nfs/dbraw/zinc/77/70/29/571777029.db2.gz ZFSLUGLDYRJMJY-CHWSQXEVSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@@H](CCC)CCC(C)C ZINC000071126917 571777428 /nfs/dbraw/zinc/77/74/28/571777428.db2.gz ZLKBJCUBWDKIOT-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@H](CCC)CCC(C)C ZINC000071126919 571776820 /nfs/dbraw/zinc/77/68/20/571776820.db2.gz ZLKBJCUBWDKIOT-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCC[C@@H](CCC)C[NH2+]CCC ZINC000071126934 571776924 /nfs/dbraw/zinc/77/69/24/571776924.db2.gz TZSHTOLQWHJDMT-CYBMUJFWSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCC[C@H](CCC)C[NH2+]CCC ZINC000071126937 571777325 /nfs/dbraw/zinc/77/73/25/571777325.db2.gz TZSHTOLQWHJDMT-ZDUSSCGKSA-N 1 0 199.382 3.983 10 0 AHAERO CCCC[C@@H](CCC)C[NH2+]CC(C)C ZINC000071127047 571777711 /nfs/dbraw/zinc/77/77/11/571777711.db2.gz UMAUJVRHLYFZDM-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@H](CCC)C[NH2+]CC(C)C ZINC000071127049 571775212 /nfs/dbraw/zinc/77/52/12/571775212.db2.gz UMAUJVRHLYFZDM-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCCC[C@@H](C[NH2+]CC)C(C)C ZINC000071127083 571777200 /nfs/dbraw/zinc/77/72/00/571777200.db2.gz YIGRBOUIWSQDLA-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCCC[C@H](C[NH2+]CC)C(C)C ZINC000071127085 571777922 /nfs/dbraw/zinc/77/79/22/571777922.db2.gz YIGRBOUIWSQDLA-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCC[C@@H](C[NH2+]CCC)C(C)C ZINC000071127111 571776462 /nfs/dbraw/zinc/77/64/62/571776462.db2.gz HLLCDXHIIGETKK-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCC[C@H](C[NH2+]CCC)C(C)C ZINC000071127113 571775696 /nfs/dbraw/zinc/77/56/96/571775696.db2.gz HLLCDXHIIGETKK-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](CC)C[NH2+]C ZINC000071127212 571776096 /nfs/dbraw/zinc/77/60/96/571776096.db2.gz KBGVXXAFGDHQPY-CHWSQXEVSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@H](CC)C[C@@H](CC)C[NH2+]C ZINC000071127213 571777128 /nfs/dbraw/zinc/77/71/28/571777128.db2.gz KBGVXXAFGDHQPY-QWHCGFSZSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@@H](CC)C[C@H](CC)C[NH2+]C ZINC000071127214 571775279 /nfs/dbraw/zinc/77/52/79/571775279.db2.gz KBGVXXAFGDHQPY-OLZOCXBDSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@H](CC)C[C@H](CC)C[NH2+]C ZINC000071127218 571775167 /nfs/dbraw/zinc/77/51/67/571775167.db2.gz KBGVXXAFGDHQPY-STQMWFEESA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@H](CC)C[C@H](C)CCC ZINC000071127228 571777981 /nfs/dbraw/zinc/77/79/81/571777981.db2.gz SGESBJDEEWYZLN-CHWSQXEVSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@H](CC)C[C@@H](C)CCC ZINC000071127229 571775616 /nfs/dbraw/zinc/77/56/16/571775616.db2.gz SGESBJDEEWYZLN-QWHCGFSZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@@H](CC)C[C@H](C)CCC ZINC000071127231 571776661 /nfs/dbraw/zinc/77/66/61/571776661.db2.gz SGESBJDEEWYZLN-OLZOCXBDSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@@H](CC)C[C@@H](C)CCC ZINC000071127233 571778101 /nfs/dbraw/zinc/77/81/01/571778101.db2.gz SGESBJDEEWYZLN-STQMWFEESA-N 1 0 199.382 3.839 10 0 AHAERO CCCCCC[C@@H](CC)C[NH2+]CCC ZINC000071127248 571777603 /nfs/dbraw/zinc/77/76/03/571777603.db2.gz FMEUONIGLPCTJP-CYBMUJFWSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCCC[C@H](CC)C[NH2+]CCC ZINC000071127251 571777182 /nfs/dbraw/zinc/77/71/82/571777182.db2.gz FMEUONIGLPCTJP-ZDUSSCGKSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCC[C@@H](CC)C[NH2+]CC(C)C ZINC000071127309 571776371 /nfs/dbraw/zinc/77/63/71/571776371.db2.gz IEHUPMRRLCPUPT-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCC[C@H](CC)C[NH2+]CC(C)C ZINC000071127311 571778212 /nfs/dbraw/zinc/77/82/12/571778212.db2.gz IEHUPMRRLCPUPT-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@@H](C)CC1(C[NH3+])CCCCC1 ZINC000071127349 571775973 /nfs/dbraw/zinc/77/59/73/571775973.db2.gz TZUHSASBALKYNL-GFCCVEGCSA-N 1 0 197.366 3.722 10 0 AHAERO CCC[C@H](C)CC1(C[NH3+])CCCCC1 ZINC000071127351 571776590 /nfs/dbraw/zinc/77/65/90/571776590.db2.gz TZUHSASBALKYNL-LBPRGKRZSA-N 1 0 197.366 3.722 10 0 AHAERO CCCC[C@](CC)(C[NH3+])C[C@@H](C)CC ZINC000071127394 571777470 /nfs/dbraw/zinc/77/74/70/571777470.db2.gz AQRUNLZGTWTIPR-STQMWFEESA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@@](CC)(C[NH3+])C[C@@H](C)CC ZINC000071127396 571777151 /nfs/dbraw/zinc/77/71/51/571777151.db2.gz AQRUNLZGTWTIPR-QWHCGFSZSA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@](CC)(C[NH3+])C[C@H](C)CC ZINC000071127397 571775453 /nfs/dbraw/zinc/77/54/53/571775453.db2.gz AQRUNLZGTWTIPR-OLZOCXBDSA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@@](CC)(C[NH3+])C[C@H](C)CC ZINC000071127399 571777546 /nfs/dbraw/zinc/77/75/46/571777546.db2.gz AQRUNLZGTWTIPR-CHWSQXEVSA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@@H](CC)C[C@@](C)(CC)C[NH3+] ZINC000071127432 571775771 /nfs/dbraw/zinc/77/57/71/571775771.db2.gz ASQKAAGWGVVYBE-CHWSQXEVSA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@H](CC)C[C@@](C)(CC)C[NH3+] ZINC000071127433 571775252 /nfs/dbraw/zinc/77/52/52/571775252.db2.gz ASQKAAGWGVVYBE-QWHCGFSZSA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@@H](CC)C[C@](C)(CC)C[NH3+] ZINC000071127436 571775374 /nfs/dbraw/zinc/77/53/74/571775374.db2.gz ASQKAAGWGVVYBE-OLZOCXBDSA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@H](CC)C[C@](C)(CC)C[NH3+] ZINC000071127438 571776269 /nfs/dbraw/zinc/77/62/69/571776269.db2.gz ASQKAAGWGVVYBE-STQMWFEESA-N 1 0 199.382 3.968 10 0 AHAERO CCCCCCC(C)(C)C[NH2+]CCC ZINC000071127451 571775184 /nfs/dbraw/zinc/77/51/84/571775184.db2.gz HXBAJBGQWFZHHP-UHFFFAOYSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCCC[C@@](C)(CCC)C[NH2+]C ZINC000071127686 571778074 /nfs/dbraw/zinc/77/80/74/571778074.db2.gz SDWZZBAWBVMQRC-CYBMUJFWSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCCC[C@](C)(CCC)C[NH2+]C ZINC000071127688 571775569 /nfs/dbraw/zinc/77/55/69/571775569.db2.gz SDWZZBAWBVMQRC-ZDUSSCGKSA-N 1 0 199.382 3.983 10 0 AHAERO CCCC[C@@](C)(CCC)C[NH2+]CCC ZINC000071127740 571777170 /nfs/dbraw/zinc/77/71/70/571777170.db2.gz NKGLOFYWERVGMS-CYBMUJFWSA-N 1 0 199.382 3.983 10 0 AHAERO CCCC[C@](C)(CCC)C[NH2+]CCC ZINC000071127742 571775257 /nfs/dbraw/zinc/77/52/57/571775257.db2.gz NKGLOFYWERVGMS-ZDUSSCGKSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCC(CC)(CCCC)C[NH2+]C ZINC000071127908 571775949 /nfs/dbraw/zinc/77/59/49/571775949.db2.gz MFMROSXMJMNHQF-UHFFFAOYSA-N 1 0 199.382 3.983 10 0 AHAERO CCCC[C@@](CC)(CCC)C[NH2+]CC ZINC000071127932 571776948 /nfs/dbraw/zinc/77/69/48/571776948.db2.gz AGVHUGHGMRKFGD-CYBMUJFWSA-N 1 0 199.382 3.983 10 0 AHAERO CCCC[C@](CC)(CCC)C[NH2+]CC ZINC000071127935 571775956 /nfs/dbraw/zinc/77/59/56/571775956.db2.gz AGVHUGHGMRKFGD-ZDUSSCGKSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCC(CC)(CC)C[NH2+]CCC ZINC000071127945 571776186 /nfs/dbraw/zinc/77/61/86/571776186.db2.gz FGIOOUSZLJCJQV-UHFFFAOYSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCCCC(CC)(CC)C[NH2+]C ZINC000071128010 571777742 /nfs/dbraw/zinc/77/77/42/571777742.db2.gz AQKMVNPHIQIRHJ-UHFFFAOYSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCCC(CC)(CC)C[NH2+]CC ZINC000071128023 571777779 /nfs/dbraw/zinc/77/77/79/571777779.db2.gz XMACKKQEBYAGLZ-UHFFFAOYSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCCC[C@@](C)(CC)C[NH2+]CC ZINC000071128108 571777327 /nfs/dbraw/zinc/77/73/27/571777327.db2.gz FBGJBKVZGNMENA-CYBMUJFWSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCCC[C@](C)(CC)C[NH2+]CC ZINC000071128110 571775925 /nfs/dbraw/zinc/77/59/25/571775925.db2.gz FBGJBKVZGNMENA-ZDUSSCGKSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCC[C@@](C)(CC)C[NH2+]CCC ZINC000071128136 571778097 /nfs/dbraw/zinc/77/80/97/571778097.db2.gz BSQPRTWPDHMDDA-CYBMUJFWSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCC[C@](C)(CC)C[NH2+]CCC ZINC000071128138 571777850 /nfs/dbraw/zinc/77/78/50/571777850.db2.gz BSQPRTWPDHMDDA-ZDUSSCGKSA-N 1 0 199.382 3.983 10 0 AHAERO CCCC[C@@H](CC)CC[NH2+]CC(C)C ZINC000071128276 571775341 /nfs/dbraw/zinc/77/53/41/571775341.db2.gz IKMRDZRGHWCATR-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@H](CC)CC[NH2+]CC(C)C ZINC000071128278 571777556 /nfs/dbraw/zinc/77/75/56/571777556.db2.gz IKMRDZRGHWCATR-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CC[C@@H]1CCCC[C@]1([NH3+])CCC(C)C ZINC000071160218 571774349 /nfs/dbraw/zinc/77/43/49/571774349.db2.gz KFGWWSQHUQNQJO-OLZOCXBDSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CCCC[C@]1([NH3+])CCC(C)C ZINC000071160219 571773815 /nfs/dbraw/zinc/77/38/15/571773815.db2.gz KFGWWSQHUQNQJO-STQMWFEESA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]1CCCC[C@@]1([NH3+])CCC(C)C ZINC000071160220 571773723 /nfs/dbraw/zinc/77/37/23/571773723.db2.gz KFGWWSQHUQNQJO-CHWSQXEVSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CCCC[C@@]1([NH3+])CCC(C)C ZINC000071160221 571774359 /nfs/dbraw/zinc/77/43/59/571774359.db2.gz KFGWWSQHUQNQJO-QWHCGFSZSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]([NH3+])c1c(C)ccc2ccccc21 ZINC000071445836 571790304 /nfs/dbraw/zinc/79/03/04/571790304.db2.gz LMODKNTYRXVBOW-ZDUSSCGKSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@@H]([NH3+])c1c(C)ccc2ccccc21 ZINC000071445837 167526273 /nfs/dbraw/zinc/52/62/73/167526273.db2.gz LMODKNTYRXVBOW-CYBMUJFWSA-N 1 0 199.297 3.558 10 0 AHAERO CC(C)(C)C[C@H]([NH3+])CC1CCCCC1 ZINC000074238713 571805959 /nfs/dbraw/zinc/80/59/59/571805959.db2.gz KWSFWUPDGYCKHI-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)C[C@@H]([NH3+])CC1CCCCC1 ZINC000074238715 571807370 /nfs/dbraw/zinc/80/73/70/571807370.db2.gz KWSFWUPDGYCKHI-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@@H](CC)[NH2+]CCCC ZINC000075437669 572837841 /nfs/dbraw/zinc/83/78/41/572837841.db2.gz UVJBBORBMDGPMP-GFCCVEGCSA-N 1 0 185.355 3.735 10 0 AHAERO CCCCC[C@H](CC)[NH2+]CCCC ZINC000075437675 572838098 /nfs/dbraw/zinc/83/80/98/572838098.db2.gz UVJBBORBMDGPMP-LBPRGKRZSA-N 1 0 185.355 3.735 10 0 AHAERO CCCCC[C@@H](CC)[NH2+]CCC(C)C ZINC000075437902 572838343 /nfs/dbraw/zinc/83/83/43/572838343.db2.gz TXHYRXJRUXCZQT-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](CC)[NH2+]CCC(C)C ZINC000075437906 572837600 /nfs/dbraw/zinc/83/76/00/572837600.db2.gz TXHYRXJRUXCZQT-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO [NH3+]C1(C2CCCCCC2)CCCCC1 ZINC000076636737 169168889 /nfs/dbraw/zinc/16/88/89/169168889.db2.gz IPYBKBBOFUGKNI-UHFFFAOYSA-N 1 0 195.350 3.618 10 0 AHAERO CC(C)CC[C@@H]1CCC(C)(C)CC[NH2+]1 ZINC000076637450 572443641 /nfs/dbraw/zinc/44/36/41/572443641.db2.gz CZRAUJQQKHXDPC-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[C@H]1CCC(C)(C)CC[NH2+]1 ZINC000076637452 572442816 /nfs/dbraw/zinc/44/28/16/572442816.db2.gz CZRAUJQQKHXDPC-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)c1cc([C@@H](C)[NH3+])c(C(C)C)o1 ZINC000077078473 572711073 /nfs/dbraw/zinc/71/10/73/572711073.db2.gz FBABIMMPMHGNNJ-SECBINFHSA-N 1 0 195.306 3.546 10 0 AHAERO CC(C)c1cc([C@H](C)[NH3+])c(C(C)C)o1 ZINC000077078474 572712326 /nfs/dbraw/zinc/71/23/26/572712326.db2.gz FBABIMMPMHGNNJ-VIFPVBQESA-N 1 0 195.306 3.546 10 0 AHAERO CC(C)CC1(C[NH3+])CCC(C)(C)CC1 ZINC000077296291 166436222 /nfs/dbraw/zinc/43/62/22/166436222.db2.gz CQZLGEZALGYXSG-UHFFFAOYSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCCC[C@H]([NH3+])CC1CCCC1 ZINC000078445262 571831080 /nfs/dbraw/zinc/83/10/80/571831080.db2.gz WQYFRCQXDXFLRA-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@@H]([NH3+])CC1CCCC1 ZINC000078445266 571829233 /nfs/dbraw/zinc/82/92/33/571829233.db2.gz WQYFRCQXDXFLRA-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000078462612 571831106 /nfs/dbraw/zinc/83/11/06/571831106.db2.gz KUERCVSCQJXKRL-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C ZINC000078462618 571829967 /nfs/dbraw/zinc/82/99/67/571829967.db2.gz KUERCVSCQJXKRL-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000078462622 571831123 /nfs/dbraw/zinc/83/11/23/571831123.db2.gz KUERCVSCQJXKRL-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000078462630 571831237 /nfs/dbraw/zinc/83/12/37/571831237.db2.gz KUERCVSCQJXKRL-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[NH2+][C@H]1CC[C@H](C)C[C@@H]1C ZINC000078462885 571830110 /nfs/dbraw/zinc/83/01/10/571830110.db2.gz DUDQQWDLYGZCAL-GVXVVHGQSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000078462899 571831047 /nfs/dbraw/zinc/83/10/47/571831047.db2.gz DUDQQWDLYGZCAL-MDZLAQPJSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[NH2+]CCCCC(CC)CC ZINC000078782755 571846497 /nfs/dbraw/zinc/84/64/97/571846497.db2.gz CJERBOFAAYVFQG-UHFFFAOYSA-N 1 0 185.355 3.593 10 0 AHAERO CCC(CC)CCCC[NH2+]C(C)(C)C ZINC000078783012 571846284 /nfs/dbraw/zinc/84/62/84/571846284.db2.gz SLJLMVZYWBSWEH-UHFFFAOYSA-N 1 0 199.382 3.981 10 0 AHAERO CCC(CC)CCCC[NH2+]CC(C)C ZINC000078783090 571846523 /nfs/dbraw/zinc/84/65/23/571846523.db2.gz XQMPHGFWZYBIRV-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CC[C@@H](C)C[NH2+]C1CCC(C)(C)CC1 ZINC000079654321 571952797 /nfs/dbraw/zinc/95/27/97/571952797.db2.gz JLIWHYJYCVHWJD-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[NH2+]C1CCC(C)(C)CC1 ZINC000079654322 571953061 /nfs/dbraw/zinc/95/30/61/571953061.db2.gz JLIWHYJYCVHWJD-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CCCC[C@H]([NH3+])C(C)(C)C ZINC000080390508 571962466 /nfs/dbraw/zinc/96/24/66/571962466.db2.gz XUTRAWYDXJERPA-NSHDSACASA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)CCCC[C@@H]([NH3+])C(C)(C)C ZINC000080390512 571960370 /nfs/dbraw/zinc/96/03/70/571960370.db2.gz XUTRAWYDXJERPA-LLVKDONJSA-N 1 0 185.355 3.576 10 0 AHAERO CCCCC[C@@H]1CC[C@H]([NH2+]CCC)C1 ZINC000080406570 573900968 /nfs/dbraw/zinc/90/09/68/573900968.db2.gz PHHDQXXATSJCDE-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H]1CC[C@H]([NH2+]CCC)C1 ZINC000080406574 571964133 /nfs/dbraw/zinc/96/41/33/571964133.db2.gz PHHDQXXATSJCDE-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@@H]1CC[C@@H]([NH2+]CCC)C1 ZINC000080406576 571963049 /nfs/dbraw/zinc/96/30/49/571963049.db2.gz PHHDQXXATSJCDE-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H]1CC[C@@H]([NH2+]CCC)C1 ZINC000080406582 571963531 /nfs/dbraw/zinc/96/35/31/571963531.db2.gz PHHDQXXATSJCDE-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@@H](CCC(C)C)C1 ZINC000080407027 571965739 /nfs/dbraw/zinc/96/57/39/571965739.db2.gz AIYYCBNQDRCDFK-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CC[C@@H](CCC(C)C)C1 ZINC000080407029 571964044 /nfs/dbraw/zinc/96/40/44/571964044.db2.gz AIYYCBNQDRCDFK-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](CCCC1CCCC1)[NH2+]C ZINC000080410411 571965166 /nfs/dbraw/zinc/96/51/66/571965166.db2.gz NDIQDGFCYKOOGU-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](CCCC1CCCC1)[NH2+]C ZINC000080410413 571964086 /nfs/dbraw/zinc/96/40/86/571964086.db2.gz NDIQDGFCYKOOGU-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](CCCCC(C)C)[NH2+]C ZINC000080410546 571964838 /nfs/dbraw/zinc/96/48/38/571964838.db2.gz CACUENDPTLXRBV-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@@H]1CCCC[C@H]([NH2+]C)C1 ZINC000080412458 571964495 /nfs/dbraw/zinc/96/44/95/571964495.db2.gz RYIVGIOGDLHSKE-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H]1CCCC[C@H]([NH2+]C)C1 ZINC000080412461 571964969 /nfs/dbraw/zinc/96/49/69/571964969.db2.gz RYIVGIOGDLHSKE-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@@H]1CCCC[C@@H]([NH2+]C)C1 ZINC000080412462 571963978 /nfs/dbraw/zinc/96/39/78/571963978.db2.gz RYIVGIOGDLHSKE-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H]1CCCC[C@@H]([NH2+]C)C1 ZINC000080412465 571963524 /nfs/dbraw/zinc/96/35/24/571963524.db2.gz RYIVGIOGDLHSKE-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO C[NH2+][C@H]1CCCC[C@@H](CCC(C)C)C1 ZINC000080412849 571964713 /nfs/dbraw/zinc/96/47/13/571964713.db2.gz QCGHWIBXEFQRCM-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H]1CCCC[C@H](CCC(C)C)C1 ZINC000080412853 571964680 /nfs/dbraw/zinc/96/46/80/571964680.db2.gz QCGHWIBXEFQRCM-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H]1CCCC[C@@H](CCC(C)C)C1 ZINC000080412857 571964931 /nfs/dbraw/zinc/96/49/31/571964931.db2.gz QCGHWIBXEFQRCM-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H]1CCCC[C@H](CCC(C)C)C1 ZINC000080412859 571965605 /nfs/dbraw/zinc/96/56/05/571965605.db2.gz QCGHWIBXEFQRCM-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCCC[C@H](CC(C)C)C1 ZINC000080413849 571963410 /nfs/dbraw/zinc/96/34/10/571963410.db2.gz HEHKMQJGPDLBHR-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCCC[C@H](CC(C)C)C1 ZINC000080413852 571964625 /nfs/dbraw/zinc/96/46/25/571964625.db2.gz HEHKMQJGPDLBHR-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCCC[C@@H](CC(C)C)C1 ZINC000080413855 571962945 /nfs/dbraw/zinc/96/29/45/571962945.db2.gz HEHKMQJGPDLBHR-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCCC[C@@H](CC(C)C)C1 ZINC000080413858 571963593 /nfs/dbraw/zinc/96/35/93/571963593.db2.gz HEHKMQJGPDLBHR-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCCC[C@@H](CCC)C1 ZINC000080415277 571963791 /nfs/dbraw/zinc/96/37/91/571963791.db2.gz QWTGQVYQISCLHI-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@H]1CCCC[C@H](CCC)C1 ZINC000080415281 571964381 /nfs/dbraw/zinc/96/43/81/571964381.db2.gz QWTGQVYQISCLHI-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H]1CCCC[C@@H](CCC)C1 ZINC000080415285 571963656 /nfs/dbraw/zinc/96/36/56/571963656.db2.gz QWTGQVYQISCLHI-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H]1CCCC[C@H](CCC)C1 ZINC000080415287 571965953 /nfs/dbraw/zinc/96/59/53/571965953.db2.gz QWTGQVYQISCLHI-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H](CCCCC(C)C)C(C)C ZINC000080418359 571964958 /nfs/dbraw/zinc/96/49/58/571964958.db2.gz DURBVBYFMMOKMW-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CCCCC(C)C)C(C)C ZINC000080418363 571964866 /nfs/dbraw/zinc/96/48/66/571964866.db2.gz DURBVBYFMMOKMW-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CCCCC(C)C)C1CC1 ZINC000080420194 571965849 /nfs/dbraw/zinc/96/58/49/571965849.db2.gz FKQVMQUBSCYGLN-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCCCC(C)C)C1CC1 ZINC000080420198 571963967 /nfs/dbraw/zinc/96/39/67/571963967.db2.gz FKQVMQUBSCYGLN-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)[NH2+]C[C@@H](C)C(C)C ZINC000081044020 571974547 /nfs/dbraw/zinc/97/45/47/571974547.db2.gz CMSDPGRYBUVPKT-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](CC)[NH2+]C[C@@H](C)C(C)C ZINC000081044022 571975006 /nfs/dbraw/zinc/97/50/06/571975006.db2.gz CMSDPGRYBUVPKT-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](CC)[NH2+]C[C@H](C)C(C)C ZINC000081044025 571976381 /nfs/dbraw/zinc/97/63/81/571976381.db2.gz CMSDPGRYBUVPKT-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](CC)[NH2+]C[C@H](C)C(C)C ZINC000081044027 571975852 /nfs/dbraw/zinc/97/58/52/571975852.db2.gz CMSDPGRYBUVPKT-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000081046386 571974540 /nfs/dbraw/zinc/97/45/40/571974540.db2.gz MKAHPQQQYDHUKM-CHWSQXEVSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)CC[C@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000081046387 571973865 /nfs/dbraw/zinc/97/38/65/571973865.db2.gz MKAHPQQQYDHUKM-OLZOCXBDSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)CC[C@H](C)[NH2+]C[C@H](C)C(C)C ZINC000081046392 571975340 /nfs/dbraw/zinc/97/53/40/571975340.db2.gz MKAHPQQQYDHUKM-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO CCCCC[C@@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000081046873 571974996 /nfs/dbraw/zinc/97/49/96/571974996.db2.gz PAXSDSNQRMSPHY-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000081046874 571976560 /nfs/dbraw/zinc/97/65/60/571976560.db2.gz PAXSDSNQRMSPHY-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@@H](C)[NH2+]C[C@H](C)C(C)C ZINC000081046876 571975762 /nfs/dbraw/zinc/97/57/62/571975762.db2.gz PAXSDSNQRMSPHY-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@H](C)[NH2+]C[C@H](C)C(C)C ZINC000081046878 571976084 /nfs/dbraw/zinc/97/60/84/571976084.db2.gz PAXSDSNQRMSPHY-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCCC(CCC)[NH2+]C[C@@H](C)C(C)C ZINC000081047346 571973490 /nfs/dbraw/zinc/97/34/90/571973490.db2.gz XJJIBEJUNBAFOM-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)CCCC[C@H]([NH3+])CC(C)C ZINC000081128496 571977558 /nfs/dbraw/zinc/97/75/58/571977558.db2.gz GMJUMASYPNKKMJ-LBPRGKRZSA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)CCCC[C@@H]([NH3+])CC(C)C ZINC000081128500 571978187 /nfs/dbraw/zinc/97/81/87/571978187.db2.gz GMJUMASYPNKKMJ-GFCCVEGCSA-N 1 0 185.355 3.576 10 0 AHAERO CCCCCC[C@]1([NH3+])CCC[C@H](C)C1 ZINC000082434226 572026793 /nfs/dbraw/zinc/02/67/93/572026793.db2.gz QCWZMDUSVBTSCB-STQMWFEESA-N 1 0 197.366 3.864 10 0 AHAERO CCCC[C@@H](CC)CCC[NH2+]CCC ZINC000082441678 572026095 /nfs/dbraw/zinc/02/60/95/572026095.db2.gz CEPAJLFPQXSNPA-CYBMUJFWSA-N 1 0 199.382 3.983 10 0 AHAERO CCCC[C@H](CC)CCC[NH2+]CCC ZINC000082441679 572026402 /nfs/dbraw/zinc/02/64/02/572026402.db2.gz CEPAJLFPQXSNPA-ZDUSSCGKSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCCC[C@H](C[NH2+]C)CC(C)C ZINC000082441743 166858154 /nfs/dbraw/zinc/85/81/54/166858154.db2.gz ACFLPTSJGBQSJD-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCCC[C@@H](C[NH2+]C)CC(C)C ZINC000082441744 572027019 /nfs/dbraw/zinc/02/70/19/572027019.db2.gz ACFLPTSJGBQSJD-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCC[C@H](C[NH2+]CC)CC(C)C ZINC000082441745 572026963 /nfs/dbraw/zinc/02/69/63/572026963.db2.gz KBYDACYTBSGLBF-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCC[C@@H](C[NH2+]CC)CC(C)C ZINC000082441746 572027087 /nfs/dbraw/zinc/02/70/87/572027087.db2.gz KBYDACYTBSGLBF-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCC1CCC(CC)(C[NH3+])CC1 ZINC000082441761 572028032 /nfs/dbraw/zinc/02/80/32/572028032.db2.gz CDYZQVZRCRCWBY-UHFFFAOYSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCCCC1(C[NH3+])CCCCC1 ZINC000082441764 572026733 /nfs/dbraw/zinc/02/67/33/572026733.db2.gz OSLSUEAQMNVHTF-UHFFFAOYSA-N 1 0 197.366 3.866 10 0 AHAERO CCCC[C@](CC)(C[NH3+])CCC(C)C ZINC000082441765 572026159 /nfs/dbraw/zinc/02/61/59/572026159.db2.gz WJTHCXMOOHJVTF-ZDUSSCGKSA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@@](CC)(C[NH3+])CCC(C)C ZINC000082441766 572027799 /nfs/dbraw/zinc/02/77/99/572027799.db2.gz WJTHCXMOOHJVTF-CYBMUJFWSA-N 1 0 199.382 3.968 10 0 AHAERO CCCCC[C@@](C)(CCC)C[NH2+]CC ZINC000082441803 572027183 /nfs/dbraw/zinc/02/71/83/572027183.db2.gz LPSWLXMQMAIZQW-CYBMUJFWSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCC[C@](C)(CCC)C[NH2+]CC ZINC000082441804 572026173 /nfs/dbraw/zinc/02/61/73/572026173.db2.gz LPSWLXMQMAIZQW-ZDUSSCGKSA-N 1 0 199.382 3.983 10 0 AHAERO CCCC[C@H](CC)C[C@@H](C)[C@H]([NH3+])CC ZINC000082443058 572027869 /nfs/dbraw/zinc/02/78/69/572027869.db2.gz SDBDUTYJRQMQOD-FRRDWIJNSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)C[C@H](C)[C@H]([NH3+])CC ZINC000082443060 572027530 /nfs/dbraw/zinc/02/75/30/572027530.db2.gz SDBDUTYJRQMQOD-RWMBFGLXSA-N 1 0 199.382 3.966 10 0 AHAERO CCCCCC[C@@H](C)[C@@H](CC)[NH2+]C ZINC000082443598 572029692 /nfs/dbraw/zinc/02/96/92/572029692.db2.gz CORHNQKEWUUZNY-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@H](C)[C@@H](CC)[NH2+]C ZINC000082443599 572030332 /nfs/dbraw/zinc/03/03/32/572030332.db2.gz CORHNQKEWUUZNY-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@@H](C)[C@H](CC)[NH2+]C ZINC000082443600 572030038 /nfs/dbraw/zinc/03/00/38/572030038.db2.gz CORHNQKEWUUZNY-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@H](C)[C@H](CC)[NH2+]C ZINC000082443601 572029473 /nfs/dbraw/zinc/02/94/73/572029473.db2.gz CORHNQKEWUUZNY-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](C)C[C@@H](C)[C@@H](CC)[NH2+]CC ZINC000082443777 572029077 /nfs/dbraw/zinc/02/90/77/572029077.db2.gz OBMPMWWGPJCIBF-JHJVBQTASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@@H](C)[C@@H](CC)[NH2+]CC ZINC000082443778 572029882 /nfs/dbraw/zinc/02/98/82/572029882.db2.gz OBMPMWWGPJCIBF-YNEHKIRRSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)C[C@H](C)[C@@H](CC)[NH2+]CC ZINC000082443779 572028690 /nfs/dbraw/zinc/02/86/90/572028690.db2.gz OBMPMWWGPJCIBF-FRRDWIJNSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@H](C)[C@@H](CC)[NH2+]CC ZINC000082443780 572029689 /nfs/dbraw/zinc/02/96/89/572029689.db2.gz OBMPMWWGPJCIBF-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC)[C@@H](C)CC1CCCC1 ZINC000082443853 572030259 /nfs/dbraw/zinc/03/02/59/572030259.db2.gz RRLDKTBYXVIPEB-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@@H](C)CC1CCCC1 ZINC000082443854 572029999 /nfs/dbraw/zinc/02/99/99/572029999.db2.gz RRLDKTBYXVIPEB-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC)[C@H](C)CC1CCCC1 ZINC000082443855 572028574 /nfs/dbraw/zinc/02/85/74/572028574.db2.gz RRLDKTBYXVIPEB-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@H](C)CC1CCCC1 ZINC000082443856 572030652 /nfs/dbraw/zinc/03/06/52/572030652.db2.gz RRLDKTBYXVIPEB-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC)[C@@H](C)CCC(C)(C)C ZINC000082443917 572029852 /nfs/dbraw/zinc/02/98/52/572029852.db2.gz OCOXKSYRVDPXRM-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CC)[C@@H](C)CCC(C)(C)C ZINC000082443918 572028481 /nfs/dbraw/zinc/02/84/81/572028481.db2.gz OCOXKSYRVDPXRM-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC)[C@H](C)CCC(C)(C)C ZINC000082443919 572030526 /nfs/dbraw/zinc/03/05/26/572030526.db2.gz OCOXKSYRVDPXRM-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CC)[C@H](C)CCC(C)(C)C ZINC000082443920 572029486 /nfs/dbraw/zinc/02/94/86/572029486.db2.gz OCOXKSYRVDPXRM-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCCC[C@@H](C)[C@@H](CC)[NH2+]CC ZINC000082443941 572028662 /nfs/dbraw/zinc/02/86/62/572028662.db2.gz WJNZXDNLCMKUHA-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@H](C)[C@@H](CC)[NH2+]CC ZINC000082443942 572030880 /nfs/dbraw/zinc/03/08/80/572030880.db2.gz WJNZXDNLCMKUHA-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@@H](C)[C@H](CC)[NH2+]CC ZINC000082443943 572029383 /nfs/dbraw/zinc/02/93/83/572029383.db2.gz WJNZXDNLCMKUHA-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@H](C)[C@H](CC)[NH2+]CC ZINC000082443944 572029525 /nfs/dbraw/zinc/02/95/25/572029525.db2.gz WJNZXDNLCMKUHA-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@@H](C)[C@@H](CC)[NH2+]CC ZINC000082443950 572029051 /nfs/dbraw/zinc/02/90/51/572029051.db2.gz UKFUIGMZNAOAQD-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@H](C)[C@@H](CC)[NH2+]CC ZINC000082443951 572030928 /nfs/dbraw/zinc/03/09/28/572030928.db2.gz UKFUIGMZNAOAQD-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@@H](C)[C@H](CC)[NH2+]CC ZINC000082443952 572030608 /nfs/dbraw/zinc/03/06/08/572030608.db2.gz UKFUIGMZNAOAQD-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@H](C)[C@H](CC)[NH2+]CC ZINC000082443953 572028927 /nfs/dbraw/zinc/02/89/27/572028927.db2.gz UKFUIGMZNAOAQD-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC)[C@@H](C)C[C@@H](C)CC ZINC000082444137 572028599 /nfs/dbraw/zinc/02/85/99/572028599.db2.gz JGIDRYXMMUIPBV-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CC)[C@@H](C)C[C@@H](C)CC ZINC000082444138 572029535 /nfs/dbraw/zinc/02/95/35/572029535.db2.gz JGIDRYXMMUIPBV-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](CC)[C@H](C)C[C@@H](C)CC ZINC000082444139 572029168 /nfs/dbraw/zinc/02/91/68/572029168.db2.gz JGIDRYXMMUIPBV-XQQFMLRXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CC)[C@H](C)C[C@@H](C)CC ZINC000082444140 572029817 /nfs/dbraw/zinc/02/98/17/572029817.db2.gz JGIDRYXMMUIPBV-YNEHKIRRSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](CC)[C@@H](C)CCC(C)C ZINC000082444281 573037841 /nfs/dbraw/zinc/03/78/41/573037841.db2.gz ICZPFVSHCUQBCJ-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CC)[C@@H](C)CCC(C)C ZINC000082444282 572029489 /nfs/dbraw/zinc/02/94/89/572029489.db2.gz ICZPFVSHCUQBCJ-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](CC)[C@H](C)CCC(C)C ZINC000082444283 572030573 /nfs/dbraw/zinc/03/05/73/572030573.db2.gz ICZPFVSHCUQBCJ-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CC)[C@H](C)CCC(C)C ZINC000082444284 572030028 /nfs/dbraw/zinc/03/00/28/572030028.db2.gz ICZPFVSHCUQBCJ-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](C)[C@@H](CC)[NH2+]CCC ZINC000082444320 572029496 /nfs/dbraw/zinc/02/94/96/572029496.db2.gz WJRHEEKVGZMNFX-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](C)[C@@H](CC)[NH2+]CCC ZINC000082444321 572029878 /nfs/dbraw/zinc/02/98/78/572029878.db2.gz WJRHEEKVGZMNFX-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](C)[C@H](CC)[NH2+]CCC ZINC000082444322 572030430 /nfs/dbraw/zinc/03/04/30/572030430.db2.gz WJRHEEKVGZMNFX-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@@H](C)[C@@H](CC)[NH2+]CCC ZINC000082444376 572028604 /nfs/dbraw/zinc/02/86/04/572028604.db2.gz NJHTWLMXRWKTHJ-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](C)[C@@H](CC)[NH2+]CCC ZINC000082444377 572029292 /nfs/dbraw/zinc/02/92/92/572029292.db2.gz NJHTWLMXRWKTHJ-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@@H](C)[C@H](CC)[NH2+]CCC ZINC000082444378 572030895 /nfs/dbraw/zinc/03/08/95/572030895.db2.gz NJHTWLMXRWKTHJ-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](C)[C@H](CC)[NH2+]CCC ZINC000082444379 572029662 /nfs/dbraw/zinc/02/96/62/572029662.db2.gz NJHTWLMXRWKTHJ-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)C[C@H]([NH3+])[C@@H](C)CC ZINC000082561986 572050328 /nfs/dbraw/zinc/05/03/28/572050328.db2.gz NGVUHPVCZCXZTP-XQQFMLRXSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)C[C@H]([NH3+])[C@@H](C)CC ZINC000082561987 572050123 /nfs/dbraw/zinc/05/01/23/572050123.db2.gz NGVUHPVCZCXZTP-AVGNSLFASA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](CC)C[C@@H]([NH3+])[C@@H](C)CC ZINC000082561988 572050695 /nfs/dbraw/zinc/05/06/95/572050695.db2.gz NGVUHPVCZCXZTP-YNEHKIRRSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)C[C@@H]([NH3+])[C@@H](C)CC ZINC000082561989 572050887 /nfs/dbraw/zinc/05/08/87/572050887.db2.gz NGVUHPVCZCXZTP-RWMBFGLXSA-N 1 0 199.382 3.966 10 0 AHAERO CCCCCC[C@H]([NH2+]CC)[C@@H](C)CC ZINC000082562374 572049732 /nfs/dbraw/zinc/04/97/32/572049732.db2.gz LRDPGGGMSCBCKZ-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@@H]([NH2+]CC)[C@@H](C)CC ZINC000082562375 572049819 /nfs/dbraw/zinc/04/98/19/572049819.db2.gz LRDPGGGMSCBCKZ-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@H]([NH2+]CC)[C@H](C)CC ZINC000082562376 572049189 /nfs/dbraw/zinc/04/91/89/572049189.db2.gz LRDPGGGMSCBCKZ-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@@H]([NH2+]CC)[C@H](C)CC ZINC000082562377 572050494 /nfs/dbraw/zinc/05/04/94/572050494.db2.gz LRDPGGGMSCBCKZ-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H]([NH2+]CC)[C@@H](C)CC ZINC000082562390 572050132 /nfs/dbraw/zinc/05/01/32/572050132.db2.gz AYRZLEVNZXLAJK-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@@H]([NH2+]CC)[C@@H](C)CC ZINC000082562391 572049928 /nfs/dbraw/zinc/04/99/28/572049928.db2.gz AYRZLEVNZXLAJK-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@H]([NH2+]CC)[C@H](C)CC ZINC000082562392 572050725 /nfs/dbraw/zinc/05/07/25/572050725.db2.gz AYRZLEVNZXLAJK-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@@H]([NH2+]CC)[C@H](C)CC ZINC000082562393 572049940 /nfs/dbraw/zinc/04/99/40/572049940.db2.gz AYRZLEVNZXLAJK-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@H](CCC(C)(C)C)[C@H](C)CC ZINC000082562416 572050604 /nfs/dbraw/zinc/05/06/04/572050604.db2.gz GBONJNJEVLQXBS-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CCC(C)(C)C)[C@@H](C)CC ZINC000082562417 572049631 /nfs/dbraw/zinc/04/96/31/572049631.db2.gz GBONJNJEVLQXBS-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CCC(C)(C)C)[C@H](C)CC ZINC000082562418 572049910 /nfs/dbraw/zinc/04/99/10/572049910.db2.gz GBONJNJEVLQXBS-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CCC(C)(C)C)[C@@H](C)CC ZINC000082562419 572051162 /nfs/dbraw/zinc/05/11/62/572051162.db2.gz GBONJNJEVLQXBS-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CC1CCCC1)[C@H](C)CC ZINC000082562452 572049585 /nfs/dbraw/zinc/04/95/85/572049585.db2.gz TVWKYVQTBJSOKP-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC1CCCC1)[C@@H](C)CC ZINC000082562453 572050242 /nfs/dbraw/zinc/05/02/42/572050242.db2.gz TVWKYVQTBJSOKP-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC1CCCC1)[C@H](C)CC ZINC000082562454 572050747 /nfs/dbraw/zinc/05/07/47/572050747.db2.gz TVWKYVQTBJSOKP-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC1CCCC1)[C@@H](C)CC ZINC000082562455 572051150 /nfs/dbraw/zinc/05/11/50/572051150.db2.gz TVWKYVQTBJSOKP-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@H]([NH2+]CC)[C@@H](C)CC ZINC000082562516 572050031 /nfs/dbraw/zinc/05/00/31/572050031.db2.gz DOGDPDMRYNGBRT-AGIUHOORSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@H]([NH2+]CC)[C@@H](C)CC ZINC000082562517 572049788 /nfs/dbraw/zinc/04/97/88/572049788.db2.gz DOGDPDMRYNGBRT-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)C[C@@H]([NH2+]CC)[C@@H](C)CC ZINC000082562518 572050846 /nfs/dbraw/zinc/05/08/46/572050846.db2.gz DOGDPDMRYNGBRT-FRRDWIJNSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH2+]CC)[C@@H](C)CC ZINC000082562519 572050939 /nfs/dbraw/zinc/05/09/39/572050939.db2.gz DOGDPDMRYNGBRT-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H]([C@H](C)CC)C1CCCCC1 ZINC000082562536 572049635 /nfs/dbraw/zinc/04/96/35/572049635.db2.gz QDLVZDQTNRNFJQ-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]([C@@H](C)CC)C1CCCCC1 ZINC000082562537 572050320 /nfs/dbraw/zinc/05/03/20/572050320.db2.gz QDLVZDQTNRNFJQ-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]([C@H](C)CC)C1CCCCC1 ZINC000082562538 572049443 /nfs/dbraw/zinc/04/94/43/572049443.db2.gz QDLVZDQTNRNFJQ-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]([C@@H](C)CC)C1CCCCC1 ZINC000082562539 572050075 /nfs/dbraw/zinc/05/00/75/572050075.db2.gz QDLVZDQTNRNFJQ-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H]([NH2+]CCC)[C@@H](C)CC ZINC000082562588 166875785 /nfs/dbraw/zinc/87/57/85/166875785.db2.gz MOPKPKNXYHUURC-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@@H]([NH2+]CCC)[C@@H](C)CC ZINC000082562589 572049795 /nfs/dbraw/zinc/04/97/95/572049795.db2.gz MOPKPKNXYHUURC-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H]([NH2+]CCC)[C@H](C)CC ZINC000082562590 572049781 /nfs/dbraw/zinc/04/97/81/572049781.db2.gz MOPKPKNXYHUURC-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H]([NH2+]CCC)[C@@H](C)CC ZINC000082562610 572050372 /nfs/dbraw/zinc/05/03/72/572050372.db2.gz ZWVAJFWPLITYBK-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H]([NH2+]CCC)[C@@H](C)CC ZINC000082562611 572049442 /nfs/dbraw/zinc/04/94/42/572049442.db2.gz ZWVAJFWPLITYBK-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H]([NH2+]CCC)[C@H](C)CC ZINC000082562612 572049201 /nfs/dbraw/zinc/04/92/01/572049201.db2.gz ZWVAJFWPLITYBK-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H]([NH2+]CCC)[C@H](C)CC ZINC000082562613 572049261 /nfs/dbraw/zinc/04/92/61/572049261.db2.gz ZWVAJFWPLITYBK-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](CCC(C)C)[C@@H](C)CC ZINC000082562614 572049308 /nfs/dbraw/zinc/04/93/08/572049308.db2.gz UYENOGIVUIYYBS-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CCC(C)C)[C@@H](C)CC ZINC000082562615 167000266 /nfs/dbraw/zinc/00/02/66/167000266.db2.gz UYENOGIVUIYYBS-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](CCC(C)C)[C@H](C)CC ZINC000082562616 572051221 /nfs/dbraw/zinc/05/12/21/572051221.db2.gz UYENOGIVUIYYBS-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CCC(C)C)[C@H](C)CC ZINC000082562617 167000996 /nfs/dbraw/zinc/00/09/96/167000996.db2.gz UYENOGIVUIYYBS-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C[C@@H](C)CC)[C@@H](C)CC ZINC000082562626 572049365 /nfs/dbraw/zinc/04/93/65/572049365.db2.gz CAUNTUJEZHLBEB-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C[C@@H](C)CC)[C@@H](C)CC ZINC000082562627 572051207 /nfs/dbraw/zinc/05/12/07/572051207.db2.gz CAUNTUJEZHLBEB-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C[C@H](C)CC)[C@@H](C)CC ZINC000082562628 572050941 /nfs/dbraw/zinc/05/09/41/572050941.db2.gz CAUNTUJEZHLBEB-AGIUHOORSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C[C@H](C)CC)[C@@H](C)CC ZINC000082562629 572049816 /nfs/dbraw/zinc/04/98/16/572049816.db2.gz CAUNTUJEZHLBEB-FRRDWIJNSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H]([C@@H](C)CC)C1CCCC1 ZINC000082562650 572050299 /nfs/dbraw/zinc/05/02/99/572050299.db2.gz QPBGPBHMSGEDGC-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]([C@@H](C)CC)C1CCCC1 ZINC000082562651 572050364 /nfs/dbraw/zinc/05/03/64/572050364.db2.gz QPBGPBHMSGEDGC-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]([C@H](C)CC)C1CCCC1 ZINC000082562652 572050994 /nfs/dbraw/zinc/05/09/94/572050994.db2.gz QPBGPBHMSGEDGC-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]([C@H](C)CC)C1CCCC1 ZINC000082562653 572050856 /nfs/dbraw/zinc/05/08/56/572050856.db2.gz QPBGPBHMSGEDGC-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH3+])c1cc(C(C)C)ccc1C ZINC000082588521 167525661 /nfs/dbraw/zinc/52/56/61/167525661.db2.gz FSFMXAPHWDAAJJ-CYBMUJFWSA-N 1 0 191.318 3.528 10 0 AHAERO CCCCCC[NH2+]CC1(C)CCCC1 ZINC000082619077 572073775 /nfs/dbraw/zinc/07/37/75/572073775.db2.gz WMCVMRMAZXTOSF-UHFFFAOYSA-N 1 0 197.366 3.737 10 0 AHAERO CCC(CC)C[NH2+]CC1(C)CCCC1 ZINC000082625291 572075383 /nfs/dbraw/zinc/07/53/83/572075383.db2.gz AOYOGRKGCYZAEO-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@@H](C)C[NH2+]CC1(C)CCCC1 ZINC000082625340 572073889 /nfs/dbraw/zinc/07/38/89/572073889.db2.gz AKMPBZKXMXUKKP-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@H](C)C[NH2+]CC1(C)CCCC1 ZINC000082625341 572073727 /nfs/dbraw/zinc/07/37/27/572073727.db2.gz AKMPBZKXMXUKKP-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@H](C)[NH2+]CC1(C)CCCC1 ZINC000082625343 572073922 /nfs/dbraw/zinc/07/39/22/572073922.db2.gz YAAJHJMNZBSYKB-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H](C)[NH2+]CC1(C)CCCC1 ZINC000082625344 572074709 /nfs/dbraw/zinc/07/47/09/572074709.db2.gz YAAJHJMNZBSYKB-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO C[C@@H](C[C@@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000082628066 573131559 /nfs/dbraw/zinc/13/15/59/573131559.db2.gz TWRXKODEJWTZMB-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H](C[C@@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000082628067 573132787 /nfs/dbraw/zinc/13/27/87/573132787.db2.gz TWRXKODEJWTZMB-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H](C[C@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000082628068 573132265 /nfs/dbraw/zinc/13/22/65/573132265.db2.gz TWRXKODEJWTZMB-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H](C[C@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000082628069 573133227 /nfs/dbraw/zinc/13/32/27/573133227.db2.gz TWRXKODEJWTZMB-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H](CC[NH2+]C1CCCC1)C(C)(C)C ZINC000082628275 572076878 /nfs/dbraw/zinc/07/68/78/572076878.db2.gz IEZXMPVLAXCLDV-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H](CC[NH2+]C1CCCC1)C(C)(C)C ZINC000082628276 572076004 /nfs/dbraw/zinc/07/60/04/572076004.db2.gz IEZXMPVLAXCLDV-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+][C@@H](C)C(CC)CC ZINC000082630817 573134864 /nfs/dbraw/zinc/13/48/64/573134864.db2.gz DYMFGSNBWXYRJP-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[NH2+][C@H](C)C(CC)CC ZINC000082630818 572076629 /nfs/dbraw/zinc/07/66/29/572076629.db2.gz DYMFGSNBWXYRJP-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[NH2+][C@@H](C)C(CC)CC ZINC000082630823 572077224 /nfs/dbraw/zinc/07/72/24/572077224.db2.gz AUKUBMBZZYZZEQ-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[NH2+][C@H](C)C(CC)CC ZINC000082630824 572076040 /nfs/dbraw/zinc/07/60/40/572076040.db2.gz AUKUBMBZZYZZEQ-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+]CC1CCCC1 ZINC000082630836 572077901 /nfs/dbraw/zinc/07/79/01/572077901.db2.gz NLAOBDUBKPKPBT-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@H](C)[NH2+]CC1CCCC1 ZINC000082630837 572077347 /nfs/dbraw/zinc/07/73/47/572077347.db2.gz NLAOBDUBKPKPBT-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+]CCC(C)(C)C ZINC000082630904 572076833 /nfs/dbraw/zinc/07/68/33/572076833.db2.gz LRSSYOGYGLCROR-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@H](C)[NH2+]CCC(C)(C)C ZINC000082630905 572076392 /nfs/dbraw/zinc/07/63/92/572076392.db2.gz LRSSYOGYGLCROR-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000082630922 572076816 /nfs/dbraw/zinc/07/68/16/572076816.db2.gz LVXDRNACZKYGCM-MNOVXSKESA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000082630923 572077945 /nfs/dbraw/zinc/07/79/45/572077945.db2.gz LVXDRNACZKYGCM-QWRGUYRKSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000082630924 572076346 /nfs/dbraw/zinc/07/63/46/572076346.db2.gz LVXDRNACZKYGCM-GHMZBOCLSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000082630925 572077093 /nfs/dbraw/zinc/07/70/93/572077093.db2.gz LVXDRNACZKYGCM-WDEREUQCSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[NH2+][C@H](C)C(CC)CC ZINC000082630962 572077912 /nfs/dbraw/zinc/07/79/12/572077912.db2.gz KLKOVUNTEQDWFG-SNVBAGLBSA-N 1 0 185.355 3.589 10 0 AHAERO CCC(CC)[NH2+][C@@H](C)C(CC)CC ZINC000082630963 572077949 /nfs/dbraw/zinc/07/79/49/572077949.db2.gz KLKOVUNTEQDWFG-JTQLQIEISA-N 1 0 185.355 3.589 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+]C1CCCCC1 ZINC000082630974 572077132 /nfs/dbraw/zinc/07/71/32/572077132.db2.gz ICOUAVGITCTVDN-LLVKDONJSA-N 1 0 197.366 3.733 10 0 AHAERO CCC(CC)[C@H](C)[NH2+]C1CCCCC1 ZINC000082630975 572076361 /nfs/dbraw/zinc/07/63/61/572076361.db2.gz ICOUAVGITCTVDN-NSHDSACASA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@@H](C)[NH2+][C@@H](C)C(CC)CC ZINC000082630992 572077692 /nfs/dbraw/zinc/07/76/92/572077692.db2.gz GQUSCQIBNMPRNX-MNOVXSKESA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@H](C)[NH2+][C@@H](C)C(CC)CC ZINC000082630996 572077576 /nfs/dbraw/zinc/07/75/76/572077576.db2.gz GQUSCQIBNMPRNX-QWRGUYRKSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@@H](C)[NH2+][C@H](C)C(CC)CC ZINC000082630998 572076495 /nfs/dbraw/zinc/07/64/95/572076495.db2.gz GQUSCQIBNMPRNX-GHMZBOCLSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@H](C)[NH2+][C@H](C)C(CC)CC ZINC000082630999 572077629 /nfs/dbraw/zinc/07/76/29/572077629.db2.gz GQUSCQIBNMPRNX-WDEREUQCSA-N 1 0 185.355 3.589 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+][C@@H](CC)C(C)C ZINC000082631023 572077695 /nfs/dbraw/zinc/07/76/95/572077695.db2.gz IKWLCLMWKUCTCU-YPMHNXCESA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@@H](CC)C(C)C ZINC000082631027 572076020 /nfs/dbraw/zinc/07/60/20/572076020.db2.gz IKWLCLMWKUCTCU-AAEUAGOBSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+][C@H](CC)C(C)C ZINC000082631029 572076702 /nfs/dbraw/zinc/07/67/02/572076702.db2.gz IKWLCLMWKUCTCU-DGCLKSJQSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@H](CC)C(C)C ZINC000082631033 572077413 /nfs/dbraw/zinc/07/74/13/572077413.db2.gz IKWLCLMWKUCTCU-WCQYABFASA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@H](C)[C@H](C)CC ZINC000082631135 572076725 /nfs/dbraw/zinc/07/67/25/572076725.db2.gz AGADCACHFZQZPT-UTUOFQBUSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@H](C)[C@@H](C)CC ZINC000082631138 572076998 /nfs/dbraw/zinc/07/69/98/572076998.db2.gz AGADCACHFZQZPT-TUAOUCFPSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)[C@H](C)CC ZINC000082631142 572076743 /nfs/dbraw/zinc/07/67/43/572076743.db2.gz AGADCACHFZQZPT-WOPDTQHZSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000082631144 572077244 /nfs/dbraw/zinc/07/72/44/572077244.db2.gz AGADCACHFZQZPT-SRVKXCTJSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)C[NH2+][C@@H](C)C(CC)CC ZINC000082631224 572076529 /nfs/dbraw/zinc/07/65/29/572076529.db2.gz KJKOFLFOWXAMKF-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C[NH2+][C@H](C)C(CC)CC ZINC000082631227 572076471 /nfs/dbraw/zinc/07/64/71/572076471.db2.gz KJKOFLFOWXAMKF-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000082631474 572077684 /nfs/dbraw/zinc/07/76/84/572077684.db2.gz LGVIYOOUVPJZQS-NWDGAFQWSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000082631477 572076567 /nfs/dbraw/zinc/07/65/67/572076567.db2.gz LGVIYOOUVPJZQS-RYUDHWBXSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000082631479 572076593 /nfs/dbraw/zinc/07/65/93/572076593.db2.gz LGVIYOOUVPJZQS-VXGBXAGGSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000082631480 572076681 /nfs/dbraw/zinc/07/66/81/572076681.db2.gz LGVIYOOUVPJZQS-NEPJUHHUSA-N 1 0 199.382 3.835 10 0 AHAERO CCC[C@@H](C)C[NH2+][C@@H](C)C(CC)CC ZINC000082631515 572077287 /nfs/dbraw/zinc/07/72/87/572077287.db2.gz PKDUAHUYZFMACN-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[NH2+][C@@H](C)C(CC)CC ZINC000082631519 572077783 /nfs/dbraw/zinc/07/77/83/572077783.db2.gz PKDUAHUYZFMACN-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)C[NH2+][C@H](C)C(CC)CC ZINC000082631523 572077364 /nfs/dbraw/zinc/07/73/64/572077364.db2.gz PKDUAHUYZFMACN-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[NH2+][C@H](C)C(CC)CC ZINC000082631526 573131949 /nfs/dbraw/zinc/13/19/49/573131949.db2.gz PKDUAHUYZFMACN-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@@H](C)C(CC)CC ZINC000082631586 572076864 /nfs/dbraw/zinc/07/68/64/572076864.db2.gz OGDFVNKTVYZMRT-NEPJUHHUSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H](C)[NH2+][C@@H](C)C(CC)CC ZINC000082631589 572076691 /nfs/dbraw/zinc/07/66/91/572076691.db2.gz OGDFVNKTVYZMRT-RYUDHWBXSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@H](C)C(CC)CC ZINC000082631592 572076892 /nfs/dbraw/zinc/07/68/92/572076892.db2.gz OGDFVNKTVYZMRT-VXGBXAGGSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H](C)[NH2+][C@H](C)C(CC)CC ZINC000082631594 572076151 /nfs/dbraw/zinc/07/61/51/572076151.db2.gz OGDFVNKTVYZMRT-NWDGAFQWSA-N 1 0 199.382 3.979 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C(C)(C)CC ZINC000082657702 572072435 /nfs/dbraw/zinc/07/24/35/572072435.db2.gz JDFOJPCCJWHLCY-NEPJUHHUSA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@H]1CCCC[C@@H]1[NH2+]C(C)(C)CC ZINC000082657703 572072694 /nfs/dbraw/zinc/07/26/94/572072694.db2.gz JDFOJPCCJWHLCY-RYUDHWBXSA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@@H]1CCCC[C@H]1[NH2+]C(C)(C)CC ZINC000082657704 572071874 /nfs/dbraw/zinc/07/18/74/572071874.db2.gz JDFOJPCCJWHLCY-VXGBXAGGSA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@H]1CCCC[C@H]1[NH2+]C(C)(C)CC ZINC000082657705 572072137 /nfs/dbraw/zinc/07/21/37/572072137.db2.gz JDFOJPCCJWHLCY-NWDGAFQWSA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1C([NH3+])(CC)CC ZINC000082658138 572072122 /nfs/dbraw/zinc/07/21/22/572072122.db2.gz WTJQAFDAIUURLD-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CCCC[C@@H]1C([NH3+])(CC)CC ZINC000082658139 572071212 /nfs/dbraw/zinc/07/12/12/572071212.db2.gz WTJQAFDAIUURLD-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]1CCCC[C@H]1C([NH3+])(CC)CC ZINC000082658140 572070871 /nfs/dbraw/zinc/07/08/71/572070871.db2.gz WTJQAFDAIUURLD-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CCCC[C@H]1C([NH3+])(CC)CC ZINC000082658141 572072275 /nfs/dbraw/zinc/07/22/75/572072275.db2.gz WTJQAFDAIUURLD-NWDGAFQWSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1[C@](C)([NH3+])C(C)C ZINC000082658142 573147032 /nfs/dbraw/zinc/14/70/32/573147032.db2.gz KFMZXKZWWMFEAX-FRRDWIJNSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCCC[C@H]1[C@](C)([NH3+])C(C)C ZINC000082658144 573144762 /nfs/dbraw/zinc/14/47/62/573144762.db2.gz KFMZXKZWWMFEAX-JHJVBQTASA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1[C@H]([NH3+])CC(C)C ZINC000082658412 572074117 /nfs/dbraw/zinc/07/41/17/572074117.db2.gz SPAGTNZTMYQRKN-FRRDWIJNSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCCC[C@H]1[C@H]([NH3+])CC(C)C ZINC000082658414 572073857 /nfs/dbraw/zinc/07/38/57/572073857.db2.gz SPAGTNZTMYQRKN-JHJVBQTASA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1[C@H]([NH3+])C(C)(C)C ZINC000082658444 573147836 /nfs/dbraw/zinc/14/78/36/573147836.db2.gz VTHCSVNGMIJLKA-WOPDTQHZSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCCC[C@H]1[C@H]([NH3+])C(C)(C)C ZINC000082658446 573147674 /nfs/dbraw/zinc/14/76/74/573147674.db2.gz VTHCSVNGMIJLKA-UTUOFQBUSA-N 1 0 197.366 3.576 10 0 AHAERO CC[NH2+][C@H](CC)[C@H]1CCCC[C@H]1CC ZINC000082658484 572073700 /nfs/dbraw/zinc/07/37/00/572073700.db2.gz MDOXDAHTYCFYRN-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@H]1CCCC[C@@H]1CC ZINC000082658485 572075510 /nfs/dbraw/zinc/07/55/10/572075510.db2.gz MDOXDAHTYCFYRN-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@@H]1CCCC[C@H]1CC ZINC000082658486 572075144 /nfs/dbraw/zinc/07/51/44/572075144.db2.gz MDOXDAHTYCFYRN-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@@H]1CCCC[C@@H]1CC ZINC000082658487 572075077 /nfs/dbraw/zinc/07/50/77/572075077.db2.gz MDOXDAHTYCFYRN-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)[C@@H]1CCCC[C@@H]1CC ZINC000082658500 572074345 /nfs/dbraw/zinc/07/43/45/572074345.db2.gz RMKBOFHSUDSIAH-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1CC ZINC000082658501 572074092 /nfs/dbraw/zinc/07/40/92/572074092.db2.gz RMKBOFHSUDSIAH-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)[C@H]1CCCC[C@@H]1CC ZINC000082658502 572073898 /nfs/dbraw/zinc/07/38/98/572073898.db2.gz RMKBOFHSUDSIAH-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1CC ZINC000082658503 572073653 /nfs/dbraw/zinc/07/36/53/572073653.db2.gz RMKBOFHSUDSIAH-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+]C)[C@@H]1CCCC[C@@H]1CC ZINC000082658504 572073853 /nfs/dbraw/zinc/07/38/53/572073853.db2.gz UHLZCEGFQLKAEN-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]([NH2+]C)[C@@H]1CCCC[C@@H]1CC ZINC000082658505 572074085 /nfs/dbraw/zinc/07/40/85/572074085.db2.gz UHLZCEGFQLKAEN-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+]C)[C@H]1CCCC[C@@H]1CC ZINC000082658506 572075479 /nfs/dbraw/zinc/07/54/79/572075479.db2.gz UHLZCEGFQLKAEN-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]([NH2+]C)[C@H]1CCCC[C@@H]1CC ZINC000082658507 572075164 /nfs/dbraw/zinc/07/51/64/572075164.db2.gz UHLZCEGFQLKAEN-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@@H]([NH3+])[C@@H]1CCCC[C@@H]1CC ZINC000082658627 572075417 /nfs/dbraw/zinc/07/54/17/572075417.db2.gz SHUBCOJUSKNVRM-WUHRBBMRSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000082658796 572079429 /nfs/dbraw/zinc/07/94/29/572079429.db2.gz OFYDCVYQSZGILN-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000082658797 572080613 /nfs/dbraw/zinc/08/06/13/572080613.db2.gz OFYDCVYQSZGILN-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CCCC[C@H]1C[NH2+]C(C)(C)C ZINC000082658798 572080229 /nfs/dbraw/zinc/08/02/29/572080229.db2.gz OFYDCVYQSZGILN-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCCC[C@H]1C[NH2+]C(C)(C)C ZINC000082658799 572078133 /nfs/dbraw/zinc/07/81/33/572078133.db2.gz OFYDCVYQSZGILN-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+]CC[C@@H]1CCCC[C@@H]1CC ZINC000082658888 572080351 /nfs/dbraw/zinc/08/03/51/572080351.db2.gz GTUJWIAJWRRKEN-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC[C@H]1CCCC[C@@H]1CC ZINC000082658889 572080035 /nfs/dbraw/zinc/08/00/35/572080035.db2.gz GTUJWIAJWRRKEN-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC[C@@H]1CCCC[C@H]1CC ZINC000082658890 572080808 /nfs/dbraw/zinc/08/08/08/572080808.db2.gz GTUJWIAJWRRKEN-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC[C@H]1CCCC[C@H]1CC ZINC000082658891 572078839 /nfs/dbraw/zinc/07/88/39/572078839.db2.gz GTUJWIAJWRRKEN-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1CC[NH2+]C(C)C ZINC000082658892 572079371 /nfs/dbraw/zinc/07/93/71/572079371.db2.gz MGKREVDIOZOMGZ-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCCC[C@@H]1CC[NH2+]C(C)C ZINC000082658893 572080107 /nfs/dbraw/zinc/08/01/07/572080107.db2.gz MGKREVDIOZOMGZ-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CCCC[C@H]1CC[NH2+]C(C)C ZINC000082658894 572078980 /nfs/dbraw/zinc/07/89/80/572078980.db2.gz MGKREVDIOZOMGZ-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCCC[C@H]1CC[NH2+]C(C)C ZINC000082658895 572079289 /nfs/dbraw/zinc/07/92/89/572079289.db2.gz MGKREVDIOZOMGZ-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)CC[C@H]([NH3+])CC(C)(C)C ZINC000082674016 572081677 /nfs/dbraw/zinc/08/16/77/572081677.db2.gz DKUOQOJRXPAGCJ-JTQLQIEISA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)(C)CC[C@@H]([NH3+])CC(C)(C)C ZINC000082674019 572081337 /nfs/dbraw/zinc/08/13/37/572081337.db2.gz DKUOQOJRXPAGCJ-SNVBAGLBSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H](C)C[C@H]([NH3+])CC(C)(C)C ZINC000082674094 572083850 /nfs/dbraw/zinc/08/38/50/572083850.db2.gz IZFYCVACCRPVBF-MNOVXSKESA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)C[C@H]([NH3+])CC(C)(C)C ZINC000082674098 572082821 /nfs/dbraw/zinc/08/28/21/572082821.db2.gz IZFYCVACCRPVBF-QWRGUYRKSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H](C)C[C@@H]([NH3+])CC(C)(C)C ZINC000082674102 573153515 /nfs/dbraw/zinc/15/35/15/573153515.db2.gz IZFYCVACCRPVBF-GHMZBOCLSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH3+])CC(C)(C)C ZINC000082674104 572082597 /nfs/dbraw/zinc/08/25/97/572082597.db2.gz IZFYCVACCRPVBF-WDEREUQCSA-N 1 0 185.355 3.576 10 0 AHAERO C[NH2+][C@@H](CC(C)(C)C)C1CCCCC1 ZINC000082674246 572082507 /nfs/dbraw/zinc/08/25/07/572082507.db2.gz OXEDXKBYGOWAKG-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](CC(C)(C)C)C1CCCCC1 ZINC000082674248 572083202 /nfs/dbraw/zinc/08/32/02/572083202.db2.gz OXEDXKBYGOWAKG-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](CCC(C)(C)C)CC(C)(C)C ZINC000082674311 572082055 /nfs/dbraw/zinc/08/20/55/572082055.db2.gz IPGKLGBSXXHXGF-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@H](CCC(C)(C)C)CC(C)(C)C ZINC000082674313 572083476 /nfs/dbraw/zinc/08/34/76/572083476.db2.gz IPGKLGBSXXHXGF-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)C[C@@H](CC(C)(C)C)[NH2+]C ZINC000082674364 572082517 /nfs/dbraw/zinc/08/25/17/572082517.db2.gz YGYZSJAEXFBBCL-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@@H](CC(C)(C)C)[NH2+]C ZINC000082674366 572083423 /nfs/dbraw/zinc/08/34/23/572083423.db2.gz YGYZSJAEXFBBCL-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)C[C@H](CC(C)(C)C)[NH2+]C ZINC000082674367 572083268 /nfs/dbraw/zinc/08/32/68/572083268.db2.gz YGYZSJAEXFBBCL-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@H](CC(C)(C)C)[NH2+]C ZINC000082674371 572082472 /nfs/dbraw/zinc/08/24/72/572082472.db2.gz YGYZSJAEXFBBCL-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@H](CC1CCCC1)CC(C)(C)C ZINC000082674438 572083198 /nfs/dbraw/zinc/08/31/98/572083198.db2.gz MESFKHMLDFNMAQ-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](CC1CCCC1)CC(C)(C)C ZINC000082674440 572083262 /nfs/dbraw/zinc/08/32/62/572083262.db2.gz MESFKHMLDFNMAQ-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC(C)(C)C)[NH2+]CC ZINC000082674502 573153929 /nfs/dbraw/zinc/15/39/29/573153929.db2.gz UZBKLMJCNMHBOM-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](CC(C)(C)C)[NH2+]CC ZINC000082674506 572082545 /nfs/dbraw/zinc/08/25/45/572082545.db2.gz UZBKLMJCNMHBOM-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@@H](CCC(C)C)CC(C)(C)C ZINC000082674589 572082672 /nfs/dbraw/zinc/08/26/72/572082672.db2.gz SCNHLIMJSWLNFG-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CCC(C)C)CC(C)(C)C ZINC000082674591 572083284 /nfs/dbraw/zinc/08/32/84/572083284.db2.gz SCNHLIMJSWLNFG-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C[C@H](C)CC)CC(C)(C)C ZINC000082674605 572083765 /nfs/dbraw/zinc/08/37/65/572083765.db2.gz HRAHHZAQBSHBSR-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C[C@@H](C)CC)CC(C)(C)C ZINC000082674607 572082736 /nfs/dbraw/zinc/08/27/36/572082736.db2.gz HRAHHZAQBSHBSR-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C[C@H](C)CC)CC(C)(C)C ZINC000082674610 572083292 /nfs/dbraw/zinc/08/32/92/572083292.db2.gz HRAHHZAQBSHBSR-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C[C@@H](C)CC)CC(C)(C)C ZINC000082674612 572083419 /nfs/dbraw/zinc/08/34/19/572083419.db2.gz HRAHHZAQBSHBSR-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC(C)(C)C)C1CCCC1 ZINC000082674619 572083799 /nfs/dbraw/zinc/08/37/99/572083799.db2.gz APROWVWSBPSRHL-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC(C)(C)C)C1CCCC1 ZINC000082674620 572083397 /nfs/dbraw/zinc/08/33/97/572083397.db2.gz APROWVWSBPSRHL-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CCC)CC(C)(C)C ZINC000082674632 572082729 /nfs/dbraw/zinc/08/27/29/572082729.db2.gz VUAKNQBLQQILPD-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@H](CCC)CC(C)(C)C ZINC000082674634 572082613 /nfs/dbraw/zinc/08/26/13/572082613.db2.gz VUAKNQBLQQILPD-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CC(C)(C)C)[NH2+]CCC ZINC000082674637 572081595 /nfs/dbraw/zinc/08/15/95/572081595.db2.gz SRAJTUNYKCABKP-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC(C)(C)C)[NH2+]CCC ZINC000082674639 572083193 /nfs/dbraw/zinc/08/31/93/572083193.db2.gz SRAJTUNYKCABKP-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@@H](CC(C)(C)C)C(C)(C)C ZINC000082674701 572082259 /nfs/dbraw/zinc/08/22/59/572082259.db2.gz OSQIEVSINPPFRM-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CC(C)(C)C)C(C)(C)C ZINC000082674703 572083306 /nfs/dbraw/zinc/08/33/06/572083306.db2.gz OSQIEVSINPPFRM-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H]1CCC[C@]([NH3+])(CCC(C)C)C1 ZINC000082713554 572084803 /nfs/dbraw/zinc/08/48/03/572084803.db2.gz KFZPTQAIUXYLPJ-OLZOCXBDSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CCC[C@]([NH3+])(CCC(C)C)C1 ZINC000082713555 572084976 /nfs/dbraw/zinc/08/49/76/572084976.db2.gz KFZPTQAIUXYLPJ-STQMWFEESA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]1CCC[C@@]([NH3+])(CCC(C)C)C1 ZINC000082713556 572086790 /nfs/dbraw/zinc/08/67/90/572086790.db2.gz KFZPTQAIUXYLPJ-CHWSQXEVSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CCC[C@@]([NH3+])(CCC(C)C)C1 ZINC000082713557 572085788 /nfs/dbraw/zinc/08/57/88/572085788.db2.gz KFZPTQAIUXYLPJ-QWHCGFSZSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@]1([NH3+])CCCC[C@@H]1CC ZINC000082713720 572085844 /nfs/dbraw/zinc/08/58/44/572085844.db2.gz KYTMHRZCSWMKAB-STQMWFEESA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[C@@]1([NH3+])CCCC[C@@H]1CC ZINC000082713721 572085371 /nfs/dbraw/zinc/08/53/71/572085371.db2.gz KYTMHRZCSWMKAB-QWHCGFSZSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[C@]1([NH3+])CCCC[C@H]1CC ZINC000082713722 572085208 /nfs/dbraw/zinc/08/52/08/572085208.db2.gz KYTMHRZCSWMKAB-OLZOCXBDSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[C@@]1([NH3+])CCCC[C@H]1CC ZINC000082713723 572085304 /nfs/dbraw/zinc/08/53/04/572085304.db2.gz KYTMHRZCSWMKAB-CHWSQXEVSA-N 1 0 197.366 3.864 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@H](CCC(C)C)C1 ZINC000082730661 572085255 /nfs/dbraw/zinc/08/52/55/572085255.db2.gz AIYYCBNQDRCDFK-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CC[C@H](CCC(C)C)C1 ZINC000082730662 572085147 /nfs/dbraw/zinc/08/51/47/572085147.db2.gz AIYYCBNQDRCDFK-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)CC[C@@H](C)C[NH3+] ZINC000082763186 572101382 /nfs/dbraw/zinc/10/13/82/572101382.db2.gz PTWUUPWRLDOOAV-VXGBXAGGSA-N 1 0 185.355 3.578 10 0 AHAERO CCCC[C@H](CC)CC[C@@H](C)C[NH3+] ZINC000082763187 572100467 /nfs/dbraw/zinc/10/04/67/572100467.db2.gz PTWUUPWRLDOOAV-NEPJUHHUSA-N 1 0 185.355 3.578 10 0 AHAERO CCCC[C@@H](CC)CC[C@H](C)C[NH3+] ZINC000082763188 572100602 /nfs/dbraw/zinc/10/06/02/572100602.db2.gz PTWUUPWRLDOOAV-NWDGAFQWSA-N 1 0 185.355 3.578 10 0 AHAERO CCCC[C@H](CC)CC[C@H](C)C[NH3+] ZINC000082763189 572101537 /nfs/dbraw/zinc/10/15/37/572101537.db2.gz PTWUUPWRLDOOAV-RYUDHWBXSA-N 1 0 185.355 3.578 10 0 AHAERO CCCC[C@@H](CC)CC[C@@H](C)C[NH2+]C ZINC000082763452 572101002 /nfs/dbraw/zinc/10/10/02/572101002.db2.gz QDOWHWMABOSWCP-CHWSQXEVSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@H](CC)CC[C@@H](C)C[NH2+]C ZINC000082763453 572100224 /nfs/dbraw/zinc/10/02/24/572100224.db2.gz QDOWHWMABOSWCP-OLZOCXBDSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@@H](CC)CC[C@H](C)C[NH2+]C ZINC000082763454 572100175 /nfs/dbraw/zinc/10/01/75/572100175.db2.gz QDOWHWMABOSWCP-QWHCGFSZSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@H](CC)CC[C@H](C)C[NH2+]C ZINC000082763455 572099833 /nfs/dbraw/zinc/09/98/33/572099833.db2.gz QDOWHWMABOSWCP-STQMWFEESA-N 1 0 199.382 3.839 10 0 AHAERO CC[NH2+]C[C@@H](C)CCC1CCCCC1 ZINC000082763582 572100559 /nfs/dbraw/zinc/10/05/59/572100559.db2.gz XPFPFFFMCGFLIX-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]C[C@H](C)CCC1CCCCC1 ZINC000082763583 572099926 /nfs/dbraw/zinc/09/99/26/572099926.db2.gz XPFPFFFMCGFLIX-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@@H](C)CCCC(C)(C)C ZINC000082763728 572100256 /nfs/dbraw/zinc/10/02/56/572100256.db2.gz JBSVUDUTDACREL-LBPRGKRZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@H](C)CCCC(C)(C)C ZINC000082763729 572101435 /nfs/dbraw/zinc/10/14/35/572101435.db2.gz JBSVUDUTDACREL-GFCCVEGCSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@H](C)CC[C@H](C)CCC ZINC000082763744 572101223 /nfs/dbraw/zinc/10/12/23/572101223.db2.gz VWCAEZZNGCWEJA-CHWSQXEVSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@H](C)CC[C@@H](C)CCC ZINC000082763745 572101579 /nfs/dbraw/zinc/10/15/79/572101579.db2.gz VWCAEZZNGCWEJA-QWHCGFSZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@@H](C)CC[C@H](C)CCC ZINC000082763746 572101611 /nfs/dbraw/zinc/10/16/11/572101611.db2.gz VWCAEZZNGCWEJA-OLZOCXBDSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@@H](C)CC[C@@H](C)CCC ZINC000082763747 572100939 /nfs/dbraw/zinc/10/09/39/572100939.db2.gz VWCAEZZNGCWEJA-STQMWFEESA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@@H](C)CCC1CCCC1 ZINC000082763792 572099632 /nfs/dbraw/zinc/09/96/32/572099632.db2.gz QXPTXOVHBZATMF-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@H](C)CCC1CCCC1 ZINC000082763793 572100889 /nfs/dbraw/zinc/10/08/89/572100889.db2.gz QXPTXOVHBZATMF-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)[NH2+]C[C@@H](C)CCCC(C)(C)C ZINC000082763906 572100520 /nfs/dbraw/zinc/10/05/20/572100520.db2.gz YCNHISKNASVKFJ-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)[NH2+]C[C@H](C)CCCC(C)(C)C ZINC000082763907 572101515 /nfs/dbraw/zinc/10/15/15/572101515.db2.gz YCNHISKNASVKFJ-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)CC[C@H](C)C[NH2+]C(C)C ZINC000082763915 572103145 /nfs/dbraw/zinc/10/31/45/572103145.db2.gz LJKJDGWEQOFZKD-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)[NH2+]C[C@@H](C)CCC1CCCC1 ZINC000082763960 573180615 /nfs/dbraw/zinc/18/06/15/573180615.db2.gz WTFBIBNMQFPENB-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[NH2+]C[C@H](C)CCC1CCCC1 ZINC000082763961 572103363 /nfs/dbraw/zinc/10/33/63/572103363.db2.gz WTFBIBNMQFPENB-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H](CCCC(C)(C)C)C[NH2+]C1CC1 ZINC000082764064 572102854 /nfs/dbraw/zinc/10/28/54/572102854.db2.gz LOEYYXDFFITRKB-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H](CCCC(C)(C)C)C[NH2+]C1CC1 ZINC000082764065 572103228 /nfs/dbraw/zinc/10/32/28/572103228.db2.gz LOEYYXDFFITRKB-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)CC[C@@H](C)C[NH2+]C1CC1 ZINC000082764080 572102887 /nfs/dbraw/zinc/10/28/87/572102887.db2.gz UGQLPWXHRMAQNZ-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)CC[C@@H](C)C[NH2+]C1CC1 ZINC000082764081 572103180 /nfs/dbraw/zinc/10/31/80/572103180.db2.gz UGQLPWXHRMAQNZ-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)CC[C@H](C)C[NH2+]C1CC1 ZINC000082764082 572102881 /nfs/dbraw/zinc/10/28/81/572102881.db2.gz UGQLPWXHRMAQNZ-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)CC[C@H](C)C[NH2+]C1CC1 ZINC000082764083 572102286 /nfs/dbraw/zinc/10/22/86/572102286.db2.gz UGQLPWXHRMAQNZ-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)CC[C@@H](C)C[NH2+]C(C)(C)C ZINC000082764212 572102694 /nfs/dbraw/zinc/10/26/94/572102694.db2.gz CAWYPTUJXPQYRD-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)CC[C@@H](C)C[NH2+]C(C)(C)C ZINC000082764213 572103287 /nfs/dbraw/zinc/10/32/87/572103287.db2.gz CAWYPTUJXPQYRD-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)CC[C@H](C)C[NH2+]C(C)(C)C ZINC000082764214 572102992 /nfs/dbraw/zinc/10/29/92/572102992.db2.gz CAWYPTUJXPQYRD-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)CC[C@H](C)C[NH2+]C(C)(C)C ZINC000082764215 572103459 /nfs/dbraw/zinc/10/34/59/572103459.db2.gz CAWYPTUJXPQYRD-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)CCC[C@@H](C)C[NH2+]C(C)(C)C ZINC000082764218 572102842 /nfs/dbraw/zinc/10/28/42/572102842.db2.gz VEYNNERJOTTYQZ-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)CCC[C@H](C)C[NH2+]C(C)(C)C ZINC000082764219 572103350 /nfs/dbraw/zinc/10/33/50/572103350.db2.gz VEYNNERJOTTYQZ-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)CC[C@@H](C)C[NH2+]CC(C)C ZINC000082764310 572103804 /nfs/dbraw/zinc/10/38/04/572103804.db2.gz RDEKTZATGLNOIU-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@H](C)CC[C@@H](C)C[NH2+]CC(C)C ZINC000082764311 572103823 /nfs/dbraw/zinc/10/38/23/572103823.db2.gz RDEKTZATGLNOIU-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@@H](C)CC[C@H](C)C[NH2+]CC(C)C ZINC000082764312 572102962 /nfs/dbraw/zinc/10/29/62/572102962.db2.gz RDEKTZATGLNOIU-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@H](C)CC[C@H](C)C[NH2+]CC(C)C ZINC000082764313 572102411 /nfs/dbraw/zinc/10/24/11/572102411.db2.gz RDEKTZATGLNOIU-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)CCC[C@@H](C)C[NH2+]CC(C)C ZINC000082764316 572103462 /nfs/dbraw/zinc/10/34/62/572103462.db2.gz HQDFACZAFNHOEA-CYBMUJFWSA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)CCC[C@H](C)C[NH2+]CC(C)C ZINC000082764317 572102681 /nfs/dbraw/zinc/10/26/81/572102681.db2.gz HQDFACZAFNHOEA-ZDUSSCGKSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1[C@@H](C)C[C@@H](C)[NH3+] ZINC000082807580 572123270 /nfs/dbraw/zinc/12/32/70/572123270.db2.gz SLFXMSXQEHSORH-UMSGYPCISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]1CCCC[C@@H]1[C@@H](C)C[C@@H](C)[NH3+] ZINC000082807581 572123295 /nfs/dbraw/zinc/12/32/95/572123295.db2.gz SLFXMSXQEHSORH-QNWHQSFQSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCCC[C@H]1[C@@H](C)C[C@@H](C)[NH3+] ZINC000082807583 572122802 /nfs/dbraw/zinc/12/28/02/572122802.db2.gz SLFXMSXQEHSORH-LOWDOPEQSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]1CCCC[C@H]1[C@@H](C)C[C@@H](C)[NH3+] ZINC000082807588 572123460 /nfs/dbraw/zinc/12/34/60/572123460.db2.gz SLFXMSXQEHSORH-RNJOBUHISA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](C)C[C@@H](C)[NH3+] ZINC000082808625 572123252 /nfs/dbraw/zinc/12/32/52/572123252.db2.gz KRXOPOQJPJNXMM-YNEHKIRRSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)C[C@@H](C)C[C@@H](C)[NH3+] ZINC000082808627 572123144 /nfs/dbraw/zinc/12/31/44/572123144.db2.gz KRXOPOQJPJNXMM-XQQFMLRXSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](CC)C[C@H](C)C[C@@H](C)[NH3+] ZINC000082808629 572124482 /nfs/dbraw/zinc/12/44/82/572124482.db2.gz KRXOPOQJPJNXMM-JHJVBQTASA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)C[C@H](C)C[C@@H](C)[NH3+] ZINC000082808631 572123827 /nfs/dbraw/zinc/12/38/27/572123827.db2.gz KRXOPOQJPJNXMM-UPJWGTAASA-N 1 0 199.382 3.966 10 0 AHAERO CC[C@@H]1CCC[C@H]([C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000082808645 572124044 /nfs/dbraw/zinc/12/40/44/572124044.db2.gz JRXLCVSGWLTLTD-LOWDOPEQSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]1CCC[C@H]([C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000082808647 572123666 /nfs/dbraw/zinc/12/36/66/572123666.db2.gz JRXLCVSGWLTLTD-RNJOBUHISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCC[C@@H]([C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000082808649 572122435 /nfs/dbraw/zinc/12/24/35/572122435.db2.gz JRXLCVSGWLTLTD-UMSGYPCISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]1CCC[C@@H]([C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000082808650 572124381 /nfs/dbraw/zinc/12/43/81/572124381.db2.gz JRXLCVSGWLTLTD-QNWHQSFQSA-N 1 0 197.366 3.576 10 0 AHAERO CCCCCC[C@@H](C)C[C@@H](C)[NH2+]C ZINC000082808936 572123915 /nfs/dbraw/zinc/12/39/15/572123915.db2.gz NCNSYBFYAUPTQZ-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@H](C)C[C@@H](C)[NH2+]C ZINC000082808938 572124020 /nfs/dbraw/zinc/12/40/20/572124020.db2.gz NCNSYBFYAUPTQZ-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@@H](C)C[C@H](C)[NH2+]C ZINC000082808940 572123473 /nfs/dbraw/zinc/12/34/73/572123473.db2.gz NCNSYBFYAUPTQZ-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@H](C)C[C@H](C)[NH2+]C ZINC000082808941 572124395 /nfs/dbraw/zinc/12/43/95/572124395.db2.gz NCNSYBFYAUPTQZ-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@@H](C)C[C@@H](C)CCC(C)(C)C ZINC000082809846 572126364 /nfs/dbraw/zinc/12/63/64/572126364.db2.gz SLIFTDOHHDBMIV-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)C[C@@H](C)CCC(C)(C)C ZINC000082809848 572126010 /nfs/dbraw/zinc/12/60/10/572126010.db2.gz SLIFTDOHHDBMIV-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C)C[C@H](C)CCC(C)(C)C ZINC000082809849 572126349 /nfs/dbraw/zinc/12/63/49/572126349.db2.gz SLIFTDOHHDBMIV-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)C[C@H](C)CCC(C)(C)C ZINC000082809851 572125374 /nfs/dbraw/zinc/12/53/74/572125374.db2.gz SLIFTDOHHDBMIV-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCCC[C@@H](C)C[C@@H](C)[NH2+]CC ZINC000082809972 572125508 /nfs/dbraw/zinc/12/55/08/572125508.db2.gz AHEJXLJWXKNFHJ-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@H](C)C[C@@H](C)[NH2+]CC ZINC000082809974 572124832 /nfs/dbraw/zinc/12/48/32/572124832.db2.gz AHEJXLJWXKNFHJ-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@@H](C)C[C@H](C)[NH2+]CC ZINC000082809977 573207479 /nfs/dbraw/zinc/20/74/79/573207479.db2.gz AHEJXLJWXKNFHJ-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@H](C)C[C@H](C)[NH2+]CC ZINC000082809979 572125919 /nfs/dbraw/zinc/12/59/19/572125919.db2.gz AHEJXLJWXKNFHJ-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@@H](C)C[C@@H](C)C[C@@H](C)[NH2+]CC ZINC000082809981 572126222 /nfs/dbraw/zinc/12/62/22/572126222.db2.gz HKCHUHBKNUUTCF-JHJVBQTASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@@H](C)C[C@@H](C)[NH2+]CC ZINC000082809984 572125418 /nfs/dbraw/zinc/12/54/18/572125418.db2.gz HKCHUHBKNUUTCF-YNEHKIRRSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)C[C@H](C)C[C@@H](C)[NH2+]CC ZINC000082809985 572124858 /nfs/dbraw/zinc/12/48/58/572124858.db2.gz HKCHUHBKNUUTCF-FRRDWIJNSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@H](C)C[C@@H](C)[NH2+]CC ZINC000082809988 572125174 /nfs/dbraw/zinc/12/51/74/572125174.db2.gz HKCHUHBKNUUTCF-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C)C[C@@H](C)CC1CCCC1 ZINC000082810145 572126116 /nfs/dbraw/zinc/12/61/16/572126116.db2.gz SJLGLQODCLBTSM-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)C[C@@H](C)CC1CCCC1 ZINC000082810147 572124707 /nfs/dbraw/zinc/12/47/07/572124707.db2.gz SJLGLQODCLBTSM-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C)C[C@H](C)CC1CCCC1 ZINC000082810149 572126509 /nfs/dbraw/zinc/12/65/09/572126509.db2.gz SJLGLQODCLBTSM-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)C[C@H](C)CC1CCCC1 ZINC000082810150 572125276 /nfs/dbraw/zinc/12/52/76/572125276.db2.gz SJLGLQODCLBTSM-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C)C[C@@H](C)C1CCCCC1 ZINC000082810222 573208019 /nfs/dbraw/zinc/20/80/19/573208019.db2.gz JCPXSROHDVYTCI-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)C[C@@H](C)C1CCCCC1 ZINC000082810223 572126013 /nfs/dbraw/zinc/12/60/13/572126013.db2.gz JCPXSROHDVYTCI-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C)C[C@H](C)C1CCCCC1 ZINC000082810225 572126574 /nfs/dbraw/zinc/12/65/74/572126574.db2.gz JCPXSROHDVYTCI-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)C[C@H](C)C1CCCCC1 ZINC000082810228 572126235 /nfs/dbraw/zinc/12/62/35/572126235.db2.gz JCPXSROHDVYTCI-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)C[C@@H](C)C[C@@H](C)CC ZINC000082810624 572126802 /nfs/dbraw/zinc/12/68/02/572126802.db2.gz LBXMUYUSSUTSAV-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)C[C@@H](C)C[C@@H](C)CC ZINC000082810627 572126849 /nfs/dbraw/zinc/12/68/49/572126849.db2.gz LBXMUYUSSUTSAV-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C)C[C@H](C)C[C@@H](C)CC ZINC000082810629 572126984 /nfs/dbraw/zinc/12/69/84/572126984.db2.gz LBXMUYUSSUTSAV-XQQFMLRXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)C[C@H](C)C[C@@H](C)CC ZINC000082810630 572127006 /nfs/dbraw/zinc/12/70/06/572127006.db2.gz LBXMUYUSSUTSAV-YNEHKIRRSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C)C[C@@H](C)CCC(C)C ZINC000082810640 572124747 /nfs/dbraw/zinc/12/47/47/572124747.db2.gz NQWIVEYYTDYCTB-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)C[C@@H](C)CCC(C)C ZINC000082810642 572125846 /nfs/dbraw/zinc/12/58/46/572125846.db2.gz NQWIVEYYTDYCTB-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C)C[C@H](C)CCC(C)C ZINC000082810644 572126194 /nfs/dbraw/zinc/12/61/94/572126194.db2.gz NQWIVEYYTDYCTB-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)C[C@H](C)CCC(C)C ZINC000082810646 572125357 /nfs/dbraw/zinc/12/53/57/572125357.db2.gz NQWIVEYYTDYCTB-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@@H](C)C[C@@H](C)[NH2+]CCC ZINC000082810787 572126113 /nfs/dbraw/zinc/12/61/13/572126113.db2.gz ZKLILOVAXIWVKM-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](C)C[C@@H](C)[NH2+]CCC ZINC000082810789 572125269 /nfs/dbraw/zinc/12/52/69/572125269.db2.gz ZKLILOVAXIWVKM-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@@H](C)C[C@H](C)[NH2+]CCC ZINC000082810791 572125822 /nfs/dbraw/zinc/12/58/22/572125822.db2.gz ZKLILOVAXIWVKM-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](C)C[C@H](C)[NH2+]CCC ZINC000082810793 572125301 /nfs/dbraw/zinc/12/53/01/572125301.db2.gz ZKLILOVAXIWVKM-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](C)C[C@@H](C)[NH2+]CCC ZINC000082810803 572125781 /nfs/dbraw/zinc/12/57/81/572125781.db2.gz RYILNWACFJSXRY-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](C)C[C@@H](C)[NH2+]CCC ZINC000082810805 572126963 /nfs/dbraw/zinc/12/69/63/572126963.db2.gz RYILNWACFJSXRY-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](C)C[C@H](C)[NH2+]CCC ZINC000082810807 572126658 /nfs/dbraw/zinc/12/66/58/572126658.db2.gz RYILNWACFJSXRY-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](C)C[C@H](C)[NH2+]CCC ZINC000082810809 572126853 /nfs/dbraw/zinc/12/68/53/572126853.db2.gz RYILNWACFJSXRY-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)C[C@@H](C)C1CCCC1 ZINC000082811077 572125721 /nfs/dbraw/zinc/12/57/21/572125721.db2.gz NWOKBBNUQKJVED-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C)C[C@@H](C)C1CCCC1 ZINC000082811080 572125351 /nfs/dbraw/zinc/12/53/51/572125351.db2.gz NWOKBBNUQKJVED-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)C[C@H](C)C1CCCC1 ZINC000082811082 572127012 /nfs/dbraw/zinc/12/70/12/572127012.db2.gz NWOKBBNUQKJVED-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C)C[C@H](C)C1CCCC1 ZINC000082811084 572126582 /nfs/dbraw/zinc/12/65/82/572126582.db2.gz NWOKBBNUQKJVED-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]([NH3+])CC(C)(C)CCC(C)(C)C ZINC000082816294 573210127 /nfs/dbraw/zinc/21/01/27/573210127.db2.gz AFHBJZZYCYNCAY-JTQLQIEISA-N 1 0 185.355 3.576 10 0 AHAERO C[C@@H]([NH3+])CC(C)(C)CCC(C)(C)C ZINC000082816295 572127515 /nfs/dbraw/zinc/12/75/15/572127515.db2.gz AFHBJZZYCYNCAY-SNVBAGLBSA-N 1 0 185.355 3.576 10 0 AHAERO CCCCCCC(C)(C)C[C@@H](C)[NH3+] ZINC000082816318 572128257 /nfs/dbraw/zinc/12/82/57/572128257.db2.gz FKPOZICGLWUPNQ-LLVKDONJSA-N 1 0 185.355 3.720 10 0 AHAERO CCCCCCC(C)(C)C[C@H](C)[NH3+] ZINC000082816319 572127342 /nfs/dbraw/zinc/12/73/42/572127342.db2.gz FKPOZICGLWUPNQ-NSHDSACASA-N 1 0 185.355 3.720 10 0 AHAERO CCC[C@@H](C)CC(C)(C)C[C@@H](C)[NH3+] ZINC000082816320 572127262 /nfs/dbraw/zinc/12/72/62/572127262.db2.gz SZGJXRFXRWKXFA-GHMZBOCLSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)CC(C)(C)C[C@@H](C)[NH3+] ZINC000082816321 572128208 /nfs/dbraw/zinc/12/82/08/572128208.db2.gz SZGJXRFXRWKXFA-WDEREUQCSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H](C)CC(C)(C)C[C@H](C)[NH3+] ZINC000082816322 572128471 /nfs/dbraw/zinc/12/84/71/572128471.db2.gz SZGJXRFXRWKXFA-MNOVXSKESA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)CC(C)(C)C[C@H](C)[NH3+] ZINC000082816323 572128474 /nfs/dbraw/zinc/12/84/74/572128474.db2.gz SZGJXRFXRWKXFA-QWRGUYRKSA-N 1 0 185.355 3.576 10 0 AHAERO C[C@@H]([NH3+])CC(C)(C)[C@H]1CCC[C@@H](C)C1 ZINC000082816442 572128247 /nfs/dbraw/zinc/12/82/47/572128247.db2.gz LCPQSDLGYYATQP-UTUOFQBUSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]([NH3+])CC(C)(C)[C@@H]1CCC[C@@H](C)C1 ZINC000082816444 572128967 /nfs/dbraw/zinc/12/89/67/572128967.db2.gz LCPQSDLGYYATQP-IJLUTSLNSA-N 1 0 197.366 3.576 10 0 AHAERO C[NH2+][C@@H](C)CC(C)(C)CCC(C)(C)C ZINC000082816542 572128088 /nfs/dbraw/zinc/12/80/88/572128088.db2.gz HSGBKWGDQXDCOI-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@H](C)CC(C)(C)CCC(C)(C)C ZINC000082816543 572127296 /nfs/dbraw/zinc/12/72/96/572127296.db2.gz HSGBKWGDQXDCOI-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCCCC(C)(C)C[C@@H](C)[NH2+]C ZINC000082816564 572127366 /nfs/dbraw/zinc/12/73/66/572127366.db2.gz WYUHXAKCLDQPBR-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCCC(C)(C)C[C@H](C)[NH2+]C ZINC000082816566 572128043 /nfs/dbraw/zinc/12/80/43/572128043.db2.gz WYUHXAKCLDQPBR-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@@H](C)CC(C)(C)C[C@@H](C)[NH2+]C ZINC000082816568 572128449 /nfs/dbraw/zinc/12/84/49/572128449.db2.gz KSRUVQXMRKJELC-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)CC(C)(C)C[C@@H](C)[NH2+]C ZINC000082816570 572128016 /nfs/dbraw/zinc/12/80/16/572128016.db2.gz KSRUVQXMRKJELC-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)CC(C)(C)C[C@H](C)[NH2+]C ZINC000082816572 572128314 /nfs/dbraw/zinc/12/83/14/572128314.db2.gz KSRUVQXMRKJELC-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)CC(C)(C)C[C@H](C)[NH2+]C ZINC000082816574 572127921 /nfs/dbraw/zinc/12/79/21/572127921.db2.gz KSRUVQXMRKJELC-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCCC(C)(C)C[C@@H](C)[NH2+]C ZINC000082816594 572127946 /nfs/dbraw/zinc/12/79/46/572127946.db2.gz IINMJXPHYUOVOI-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC(C)(C)C[C@H](C)[NH2+]C ZINC000082816595 572128800 /nfs/dbraw/zinc/12/88/00/572128800.db2.gz IINMJXPHYUOVOI-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO C[NH2+][C@@H](C)CC(C)(C)CC1CCCC1 ZINC000082816624 572127994 /nfs/dbraw/zinc/12/79/94/572127994.db2.gz UMVIBPQIWSFYKX-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)CC(C)(C)CC1CCCC1 ZINC000082816625 572127925 /nfs/dbraw/zinc/12/79/25/572127925.db2.gz UMVIBPQIWSFYKX-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](C)CC(C)(C)C1CCCCC1 ZINC000082816644 572127315 /nfs/dbraw/zinc/12/73/15/572127315.db2.gz MXHLFUOCQQMIBA-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)CC(C)(C)C1CCCCC1 ZINC000082816645 572128450 /nfs/dbraw/zinc/12/84/50/572128450.db2.gz MXHLFUOCQQMIBA-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)CC(C)(C)C[C@H](C)CC ZINC000082816752 572127361 /nfs/dbraw/zinc/12/73/61/572127361.db2.gz XWYVRRAKUITJOE-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)CC(C)(C)C[C@@H](C)CC ZINC000082816753 572127762 /nfs/dbraw/zinc/12/77/62/572127762.db2.gz XWYVRRAKUITJOE-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C)CC(C)(C)C[C@H](C)CC ZINC000082816754 572128357 /nfs/dbraw/zinc/12/83/57/572128357.db2.gz XWYVRRAKUITJOE-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C)CC(C)(C)C[C@@H](C)CC ZINC000082816755 572128481 /nfs/dbraw/zinc/12/84/81/572128481.db2.gz XWYVRRAKUITJOE-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C)CC(C)(C)CCC(C)C ZINC000082816758 572128127 /nfs/dbraw/zinc/12/81/27/572128127.db2.gz VWNIJANALPSQCB-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)CC(C)(C)CCC(C)C ZINC000082816759 572128026 /nfs/dbraw/zinc/12/80/26/572128026.db2.gz VWNIJANALPSQCB-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCCC(C)(C)C[C@@H](C)[NH2+]CC ZINC000082816800 572128074 /nfs/dbraw/zinc/12/80/74/572128074.db2.gz YNDSAKYEXFMGJA-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC(C)(C)C[C@H](C)[NH2+]CC ZINC000082816801 572128516 /nfs/dbraw/zinc/12/85/16/572128516.db2.gz YNDSAKYEXFMGJA-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC(C)(C)C[C@@H](C)[NH2+]CC ZINC000082816804 572127531 /nfs/dbraw/zinc/12/75/31/572127531.db2.gz KTPLIMMDQOFVFO-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC(C)(C)C[C@H](C)[NH2+]CC ZINC000082816805 572128547 /nfs/dbraw/zinc/12/85/47/572128547.db2.gz KTPLIMMDQOFVFO-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@@H](C)CC(C)(C)C1CCCC1 ZINC000082816858 572128478 /nfs/dbraw/zinc/12/84/78/572128478.db2.gz VATXQKVRJCHLKT-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)CC(C)(C)C1CCCC1 ZINC000082816859 572127592 /nfs/dbraw/zinc/12/75/92/572127592.db2.gz VATXQKVRJCHLKT-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)CC(C)(C)C(C)(C)C ZINC000082816888 572128607 /nfs/dbraw/zinc/12/86/07/572128607.db2.gz AQAAWXLRMNFRLU-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)CC(C)(C)C(C)(C)C ZINC000082816889 572127721 /nfs/dbraw/zinc/12/77/21/572127721.db2.gz AQAAWXLRMNFRLU-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC(C)(C)C[C@@H](C)[NH2+]CCC ZINC000082816908 572128286 /nfs/dbraw/zinc/12/82/86/572128286.db2.gz INWIMMNQXAXJJK-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC(C)(C)C[C@H](C)[NH2+]CCC ZINC000082816909 572127881 /nfs/dbraw/zinc/12/78/81/572127881.db2.gz INWIMMNQXAXJJK-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@@H](C)CC(C)(C)CC(C)C ZINC000082816936 572127549 /nfs/dbraw/zinc/12/75/49/572127549.db2.gz OCCDTWDHQDJNJL-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)CC(C)(C)CC(C)C ZINC000082816937 572127968 /nfs/dbraw/zinc/12/79/68/572127968.db2.gz OCCDTWDHQDJNJL-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)CC(C)(C)CCC ZINC000082816938 572128079 /nfs/dbraw/zinc/12/80/79/572128079.db2.gz JROKXHHOQCCHSG-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)CC(C)(C)CCC ZINC000082816939 572128373 /nfs/dbraw/zinc/12/83/73/572128373.db2.gz JROKXHHOQCCHSG-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCC(C)(C)[NH2+]C1C[C@H](C)C[C@H](C)C1 ZINC000082829339 572129607 /nfs/dbraw/zinc/12/96/07/572129607.db2.gz KWJBLZGWFZBILW-FOSCPWQOSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(C)(C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000082829340 573215877 /nfs/dbraw/zinc/21/58/77/573215877.db2.gz KWJBLZGWFZBILW-QWRGUYRKSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(C)(C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000082829341 573214961 /nfs/dbraw/zinc/21/49/61/573214961.db2.gz KWJBLZGWFZBILW-GHMZBOCLSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[NH2+]C1C[C@H](C)C[C@H](C)C1 ZINC000082829357 343613072 /nfs/dbraw/zinc/61/30/72/343613072.db2.gz KCGFMIUIERSZND-QYJAPNMZSA-N 1 0 197.366 3.589 10 0 AHAERO CCCCC[NH2+]C1C[C@H](C)C[C@H](C)C1 ZINC000082829369 572130383 /nfs/dbraw/zinc/13/03/83/572130383.db2.gz NNFZLANWYMSCSF-FUNVUKJBSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000082829370 572130505 /nfs/dbraw/zinc/13/05/05/572130505.db2.gz NNFZLANWYMSCSF-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000082829371 572131057 /nfs/dbraw/zinc/13/10/57/572131057.db2.gz NNFZLANWYMSCSF-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[NH2+]C1C[C@H](C)C[C@H](C)C1 ZINC000082829372 572130129 /nfs/dbraw/zinc/13/01/29/572130129.db2.gz DIWLGLHADZCWRW-DAAZQVBGSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)[NH2+]C1C[C@H](C)C[C@H](C)C1 ZINC000082829373 572129466 /nfs/dbraw/zinc/12/94/66/572129466.db2.gz DIWLGLHADZCWRW-FXJUQPSGSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000082829375 572129646 /nfs/dbraw/zinc/12/96/46/572129646.db2.gz DIWLGLHADZCWRW-SRVKXCTJSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](C)CC1([NH3+])C[C@H](C)C[C@H](C)C1 ZINC000082830693 572130836 /nfs/dbraw/zinc/13/08/36/572130836.db2.gz SITWYEUKMLPVSF-FKJOKYEKSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)CC1([NH3+])C[C@H](C)C[C@H](C)C1 ZINC000082830694 572130124 /nfs/dbraw/zinc/13/01/24/572130124.db2.gz SITWYEUKMLPVSF-ACJTYDJDSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)CC1([NH3+])C[C@@H](C)C[C@H](C)C1 ZINC000082830696 573220058 /nfs/dbraw/zinc/22/00/58/573220058.db2.gz SITWYEUKMLPVSF-SRVKXCTJSA-N 1 0 197.366 3.576 10 0 AHAERO CCCCCC1([NH3+])C[C@H](C)C[C@H](C)C1 ZINC000082830736 572130610 /nfs/dbraw/zinc/13/06/10/572130610.db2.gz AKBVXUQPNVCCKL-FUNVUKJBSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCCC1([NH3+])C[C@@H](C)C[C@H](C)C1 ZINC000082830737 572130096 /nfs/dbraw/zinc/13/00/96/572130096.db2.gz AKBVXUQPNVCCKL-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCCC1([NH3+])C[C@H](C)C[C@@H](C)C1 ZINC000082830738 572130208 /nfs/dbraw/zinc/13/02/08/572130208.db2.gz AKBVXUQPNVCCKL-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CCC1([NH3+])C[C@H](C)C[C@H](C)C1 ZINC000082830751 572129975 /nfs/dbraw/zinc/12/99/75/572129975.db2.gz ATPFRUCXFXDIKZ-FUNVUKJBSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CCC1([NH3+])C[C@@H](C)C[C@H](C)C1 ZINC000082830752 573220902 /nfs/dbraw/zinc/22/09/02/573220902.db2.gz ATPFRUCXFXDIKZ-RYUDHWBXSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CCC1([NH3+])C[C@H](C)C[C@@H](C)C1 ZINC000082830753 573221240 /nfs/dbraw/zinc/22/12/40/573221240.db2.gz ATPFRUCXFXDIKZ-VXGBXAGGSA-N 1 0 197.366 3.576 10 0 AHAERO CCC([NH3+])(CC)C1C[C@H](C)C[C@H](C)C1 ZINC000082833191 572130908 /nfs/dbraw/zinc/13/09/08/572130908.db2.gz ZXHLWPVXRWXING-FOSCPWQOSA-N 1 0 197.366 3.576 10 0 AHAERO CCC([NH3+])(CC)C1C[C@@H](C)C[C@H](C)C1 ZINC000082833192 573218577 /nfs/dbraw/zinc/21/85/77/573218577.db2.gz ZXHLWPVXRWXING-QWRGUYRKSA-N 1 0 197.366 3.576 10 0 AHAERO CCC([NH3+])(CC)C1C[C@H](C)C[C@@H](C)C1 ZINC000082833193 573217484 /nfs/dbraw/zinc/21/74/84/573217484.db2.gz ZXHLWPVXRWXING-GHMZBOCLSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]([NH3+])CCC1C[C@H](C)C[C@H](C)C1 ZINC000082833990 572134325 /nfs/dbraw/zinc/13/43/25/572134325.db2.gz VCYSTMHSTMYHPX-HNGCFSAESA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]([NH3+])CCC1C[C@H](C)C[C@H](C)C1 ZINC000082833991 572134195 /nfs/dbraw/zinc/13/41/95/572134195.db2.gz VCYSTMHSTMYHPX-ZGVCCVRISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]([NH3+])CCC1C[C@@H](C)C[C@H](C)C1 ZINC000082833992 572134308 /nfs/dbraw/zinc/13/43/08/572134308.db2.gz VCYSTMHSTMYHPX-GVXVVHGQSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])CC[C@H](C)[C@H](C)C1 ZINC000082836501 573224077 /nfs/dbraw/zinc/22/40/77/573224077.db2.gz LILSDWISZSDZAE-WUHRBBMRSA-N 1 0 197.366 3.576 10 0 AHAERO CCCCC[C@]1([NH3+])CC[C@H](C)[C@H](C)C1 ZINC000082836533 572133879 /nfs/dbraw/zinc/13/38/79/572133879.db2.gz DMHUMRDIJDKNAF-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@]1([NH3+])CC[C@@H](C)[C@H](C)C1 ZINC000082836538 572133089 /nfs/dbraw/zinc/13/30/89/572133089.db2.gz DMHUMRDIJDKNAF-UPJWGTAASA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CC[C@@]1([NH3+])CC[C@@H](C)[C@@H](C)C1 ZINC000082836562 572134411 /nfs/dbraw/zinc/13/44/11/572134411.db2.gz JCDHGXQGFCAYND-FRRDWIJNSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@@]1([NH3+])CC[C@H](C)[C@@H](C)C1 ZINC000082836563 572132940 /nfs/dbraw/zinc/13/29/40/572132940.db2.gz JCDHGXQGFCAYND-RWMBFGLXSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@]1([NH3+])CC[C@@H](C)[C@@H](C)C1 ZINC000082836565 573226629 /nfs/dbraw/zinc/22/66/29/573226629.db2.gz JCDHGXQGFCAYND-AGIUHOORSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@]1([NH3+])CC[C@H](C)[C@@H](C)C1 ZINC000082836567 573224889 /nfs/dbraw/zinc/22/48/89/573224889.db2.gz JCDHGXQGFCAYND-AVGNSLFASA-N 1 0 197.366 3.576 10 0 AHAERO CCC([NH3+])(CC)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082843014 573233447 /nfs/dbraw/zinc/23/34/47/573233447.db2.gz KXPSTZIOBJGNEL-QJPTWQEYSA-N 1 0 197.366 3.576 10 0 AHAERO CCC([NH3+])(CC)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000082843018 573231083 /nfs/dbraw/zinc/23/10/83/573231083.db2.gz KXPSTZIOBJGNEL-IJLUTSLNSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]([NH3+])CC[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082845218 572152657 /nfs/dbraw/zinc/15/26/57/572152657.db2.gz AYLUINVBMUGXKO-RNJOBUHISA-N 1 0 197.366 3.576 10 0 AHAERO CCC1CCC(C([NH3+])(CC)CC)CC1 ZINC000082849124 572153547 /nfs/dbraw/zinc/15/35/47/572153547.db2.gz GVVVXSPGPKWUMS-UHFFFAOYSA-N 1 0 197.366 3.720 10 0 AHAERO CCC1CCC([C@](C)([NH3+])C(C)C)CC1 ZINC000082849127 573237050 /nfs/dbraw/zinc/23/70/50/573237050.db2.gz IMXGDOBVWPRRQA-WXRRBKDZSA-N 1 0 197.366 3.576 10 0 AHAERO CCC1CCC([C@@](C)([NH3+])C(C)C)CC1 ZINC000082849128 573234963 /nfs/dbraw/zinc/23/49/63/573234963.db2.gz IMXGDOBVWPRRQA-BPCQOVAHSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](C)[C@](C)([NH3+])C1CCC(C)CC1 ZINC000082849129 573237850 /nfs/dbraw/zinc/23/78/50/573237850.db2.gz YNTJYUHFYZGYOX-KPFVRQRISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)[C@](C)([NH3+])C1CCC(C)CC1 ZINC000082849130 573234589 /nfs/dbraw/zinc/23/45/89/573234589.db2.gz YNTJYUHFYZGYOX-MVKMKZAISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](C)[C@@](C)([NH3+])C1CCC(C)CC1 ZINC000082849131 573235789 /nfs/dbraw/zinc/23/57/89/573235789.db2.gz YNTJYUHFYZGYOX-POOIEITISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)[C@@](C)([NH3+])C1CCC(C)CC1 ZINC000082849132 573234051 /nfs/dbraw/zinc/23/40/51/573234051.db2.gz YNTJYUHFYZGYOX-PYNQCMFNSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@]([NH3+])(C(C)C)C1CCC(C)CC1 ZINC000082849137 573237709 /nfs/dbraw/zinc/23/77/09/573237709.db2.gz KJASYYHMIHMDBV-BPCQOVAHSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@]([NH3+])(C(C)C)C1CCC(C)CC1 ZINC000082849138 573236892 /nfs/dbraw/zinc/23/68/92/573236892.db2.gz KJASYYHMIHMDBV-WXRRBKDZSA-N 1 0 197.366 3.576 10 0 AHAERO CCC1CCC([C@H]([NH3+])CC(C)C)CC1 ZINC000082849360 572152665 /nfs/dbraw/zinc/15/26/65/572152665.db2.gz OTMLDDSQCWJTTQ-WXRRBKDZSA-N 1 0 197.366 3.576 10 0 AHAERO CCC1CCC([C@@H]([NH3+])CC(C)C)CC1 ZINC000082849361 572152713 /nfs/dbraw/zinc/15/27/13/572152713.db2.gz OTMLDDSQCWJTTQ-BPCQOVAHSA-N 1 0 197.366 3.576 10 0 AHAERO CCC1CCC([C@H]([NH3+])C(C)(C)C)CC1 ZINC000082849382 573235954 /nfs/dbraw/zinc/23/59/54/573235954.db2.gz BHPIFQDYDDPQSY-MCIGGMRASA-N 1 0 197.366 3.576 10 0 AHAERO CCC1CCC([C@@H]([NH3+])C(C)(C)C)CC1 ZINC000082849384 573235782 /nfs/dbraw/zinc/23/57/82/573235782.db2.gz BHPIFQDYDDPQSY-HTAVTVPLSA-N 1 0 197.366 3.576 10 0 AHAERO CC[NH2+][C@H](CC)C1CCC(CC)CC1 ZINC000082849417 572153301 /nfs/dbraw/zinc/15/33/01/572153301.db2.gz LDWFGTZSDBXOLL-WXRRBKDZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC)C1CCC(CC)CC1 ZINC000082849418 572153946 /nfs/dbraw/zinc/15/39/46/572153946.db2.gz LDWFGTZSDBXOLL-BPCQOVAHSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)C1CCC(CC)CC1 ZINC000082849425 572152753 /nfs/dbraw/zinc/15/27/53/572152753.db2.gz YOGXYTGNIVPPQX-HIFPTAJRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C)C1CCC(CC)CC1 ZINC000082849426 572153226 /nfs/dbraw/zinc/15/32/26/572153226.db2.gz YOGXYTGNIVPPQX-PNESKVBLSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+]C)C1CCC(CC)CC1 ZINC000082849427 572152730 /nfs/dbraw/zinc/15/27/30/572152730.db2.gz BDYRBLVYMXVEGF-BPCQOVAHSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]([NH2+]C)C1CCC(CC)CC1 ZINC000082849428 572153199 /nfs/dbraw/zinc/15/31/99/572153199.db2.gz BDYRBLVYMXVEGF-WXRRBKDZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@@H]([NH3+])C1CCC(CC)CC1 ZINC000082849540 572153950 /nfs/dbraw/zinc/15/39/50/572153950.db2.gz NTFVLXWMUDJPLN-YWPUVAFDSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)[C@H]([NH3+])C1CCC(CC)CC1 ZINC000082849541 572153602 /nfs/dbraw/zinc/15/36/02/572153602.db2.gz NTFVLXWMUDJPLN-WTIISPKJSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](C)[C@@H]([NH3+])C1CCC(CC)CC1 ZINC000082849542 572153302 /nfs/dbraw/zinc/15/33/02/572153302.db2.gz NTFVLXWMUDJPLN-IKWCTNDRSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](C)[C@H]([NH3+])C1CCC(CC)CC1 ZINC000082849544 572153545 /nfs/dbraw/zinc/15/35/45/572153545.db2.gz NTFVLXWMUDJPLN-XVSSEFHLSA-N 1 0 197.366 3.576 10 0 AHAERO CC1CCC([C@H]([NH3+])CC(C)(C)C)CC1 ZINC000082849571 573237218 /nfs/dbraw/zinc/23/72/18/573237218.db2.gz DPHUFEFDBNJIRK-HTAVTVPLSA-N 1 0 197.366 3.576 10 0 AHAERO CC1CCC([C@@H]([NH3+])CC(C)(C)C)CC1 ZINC000082849572 573236025 /nfs/dbraw/zinc/23/60/25/573236025.db2.gz DPHUFEFDBNJIRK-MCIGGMRASA-N 1 0 197.366 3.576 10 0 AHAERO CCC1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000082849584 572152180 /nfs/dbraw/zinc/15/21/80/572152180.db2.gz KXIJXCXJXDFQKN-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+]CCC1CCC(CC)CC1 ZINC000082856375 572153469 /nfs/dbraw/zinc/15/34/69/572153469.db2.gz VWXUICWWMMFVPR-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC1CCC(CC[NH2+]C(C)C)CC1 ZINC000082856376 572153666 /nfs/dbraw/zinc/15/36/66/572153666.db2.gz ZIZPLCBJITVVPW-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC1CCC(CC[NH2+]C(C)(C)C)CC1 ZINC000082856380 572153217 /nfs/dbraw/zinc/15/32/17/572153217.db2.gz BBRRWKWKDZGUQN-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH3+])CCC1CCC(C)CC1 ZINC000082856609 572153659 /nfs/dbraw/zinc/15/36/59/572153659.db2.gz IQQSEMJKVDBMKT-BPCQOVAHSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H]([NH3+])CCC1CCC(C)CC1 ZINC000082856610 572153855 /nfs/dbraw/zinc/15/38/55/572153855.db2.gz IQQSEMJKVDBMKT-WXRRBKDZSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]([NH3+])CCC1CCC(CC)CC1 ZINC000082856619 572153548 /nfs/dbraw/zinc/15/35/48/572153548.db2.gz KIAVAQOERAPZKB-WXRRBKDZSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]([NH3+])CCC1CCC(CC)CC1 ZINC000082856620 572154058 /nfs/dbraw/zinc/15/40/58/572154058.db2.gz KIAVAQOERAPZKB-BPCQOVAHSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)[C@@H]([NH3+])CCC1CCC(C)CC1 ZINC000082856625 572153377 /nfs/dbraw/zinc/15/33/77/572153377.db2.gz YJJCJQDBKMOYNI-BPCQOVAHSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@H]([NH3+])CCC1CCC(C)CC1 ZINC000082856626 572153630 /nfs/dbraw/zinc/15/36/30/572153630.db2.gz YJJCJQDBKMOYNI-WXRRBKDZSA-N 1 0 197.366 3.576 10 0 AHAERO CC[NH2+]CCCC1CCC(CC)CC1 ZINC000082856637 572151998 /nfs/dbraw/zinc/15/19/98/572151998.db2.gz LBIKOXBPCAJVJV-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CCCC1CCC(C)CC1 ZINC000082856640 572153291 /nfs/dbraw/zinc/15/32/91/572153291.db2.gz HRYXSRKJSICKKM-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)[NH2+]CCCC1CCC(C)CC1 ZINC000082856642 572153502 /nfs/dbraw/zinc/15/35/02/572153502.db2.gz YQHWOTUATMWVRI-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCC1CCC(CC[C@@H](C)[NH2+]C)CC1 ZINC000082856651 572152586 /nfs/dbraw/zinc/15/25/86/572152586.db2.gz RSZWODRJRZQDEC-PNESKVBLSA-N 1 0 197.366 3.591 10 0 AHAERO CCC1CCC(CC[C@H](C)[NH2+]C)CC1 ZINC000082856652 572152234 /nfs/dbraw/zinc/15/22/34/572152234.db2.gz RSZWODRJRZQDEC-HIFPTAJRSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C)CCC1CCC(C)CC1 ZINC000082856657 572154144 /nfs/dbraw/zinc/15/41/44/572154144.db2.gz LYGWFFHYXUTPFU-CPCZMJQVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)CCC1CCC(C)CC1 ZINC000082856658 572153844 /nfs/dbraw/zinc/15/38/44/572153844.db2.gz LYGWFFHYXUTPFU-OTTFEQOBSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](CCC1CCC(C)CC1)[NH2+]C ZINC000082856707 572153246 /nfs/dbraw/zinc/15/32/46/572153246.db2.gz FCCYJQBUWRLKJM-BPCQOVAHSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](CCC1CCC(C)CC1)[NH2+]C ZINC000082856708 572152351 /nfs/dbraw/zinc/15/23/51/572152351.db2.gz FCCYJQBUWRLKJM-WXRRBKDZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC1CCC([C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000082856759 572152406 /nfs/dbraw/zinc/15/24/06/572152406.db2.gz WLOBYDBMAHXPJB-ZFDZMSFRSA-N 1 0 197.366 3.576 10 0 AHAERO CCC1CCC([C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000082856760 572153420 /nfs/dbraw/zinc/15/34/20/572153420.db2.gz WLOBYDBMAHXPJB-OKZRHMCRSA-N 1 0 197.366 3.576 10 0 AHAERO CCC1CCC([C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000082856761 572154001 /nfs/dbraw/zinc/15/40/01/572154001.db2.gz WLOBYDBMAHXPJB-ZSVAQUKISA-N 1 0 197.366 3.576 10 0 AHAERO CCC1CCC([C@H](C)C[C@H](C)[NH3+])CC1 ZINC000082856762 572152961 /nfs/dbraw/zinc/15/29/61/572152961.db2.gz WLOBYDBMAHXPJB-IALDZJHCSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]([NH3+])CC(C)(C)C1CCC(C)CC1 ZINC000082856789 573241437 /nfs/dbraw/zinc/24/14/37/573241437.db2.gz BDLIOQGEZJYNAA-MOENNCHZSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H]([NH3+])CC(C)(C)C1CCC(C)CC1 ZINC000082856790 573240670 /nfs/dbraw/zinc/24/06/70/573240670.db2.gz BDLIOQGEZJYNAA-CXQJBGSLSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000082857086 572155530 /nfs/dbraw/zinc/15/55/30/572155530.db2.gz BYQDSNHRRSROEL-NTZNESFSSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[NH2+][C@H]1C[C@H](C)CC[C@@H]1C ZINC000082857087 572155578 /nfs/dbraw/zinc/15/55/78/572155578.db2.gz BYQDSNHRRSROEL-MDZLAQPJSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000082857088 572155950 /nfs/dbraw/zinc/15/59/50/572155950.db2.gz BYQDSNHRRSROEL-GMXVVIOVSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[NH2+][C@H]1C[C@@H](C)CC[C@@H]1C ZINC000082857089 572154816 /nfs/dbraw/zinc/15/48/16/572154816.db2.gz BYQDSNHRRSROEL-GVXVVHGQSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])CCC[C@H](C)[C@@H]1C ZINC000082857611 573240811 /nfs/dbraw/zinc/24/08/11/573240811.db2.gz VHRCMSBDUAVJFA-ZDEQEGDKSA-N 1 0 197.366 3.576 10 0 AHAERO CCCCC[C@]1([NH3+])CCC[C@H](C)[C@@H]1C ZINC000082857630 572154703 /nfs/dbraw/zinc/15/47/03/572154703.db2.gz NQSFASQKUPITAW-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@@]1([NH3+])CCC[C@H](C)[C@@H]1C ZINC000082857631 572155555 /nfs/dbraw/zinc/15/55/55/572155555.db2.gz NQSFASQKUPITAW-RWMBFGLXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@]1([NH3+])CCC[C@@H](C)[C@@H]1C ZINC000082857632 572155337 /nfs/dbraw/zinc/15/53/37/572155337.db2.gz NQSFASQKUPITAW-AGIUHOORSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@@]1([NH3+])CCC[C@@H](C)[C@@H]1C ZINC000082857633 572154566 /nfs/dbraw/zinc/15/45/66/572154566.db2.gz NQSFASQKUPITAW-FRRDWIJNSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CC[C@]1([NH3+])CCC[C@@H](C)[C@H]1C ZINC000082857648 573239579 /nfs/dbraw/zinc/23/95/79/573239579.db2.gz SBRFDCALIFWSGI-JHJVBQTASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@]1([NH3+])CCC[C@H](C)[C@H]1C ZINC000082857649 573241174 /nfs/dbraw/zinc/24/11/74/573241174.db2.gz SBRFDCALIFWSGI-YNEHKIRRSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])CC[C@H](C)C[C@@H]1C ZINC000082857843 573241367 /nfs/dbraw/zinc/24/13/67/573241367.db2.gz GRFTWQHFHLLQHK-ZDEQEGDKSA-N 1 0 197.366 3.576 10 0 AHAERO CCCCC[C@]1([NH3+])CC[C@H](C)C[C@@H]1C ZINC000082857862 572156194 /nfs/dbraw/zinc/15/61/94/572156194.db2.gz JHIMDYFVLVXTJO-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@@]1([NH3+])CC[C@H](C)C[C@@H]1C ZINC000082857863 572155665 /nfs/dbraw/zinc/15/56/65/572155665.db2.gz JHIMDYFVLVXTJO-RWMBFGLXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@]1([NH3+])CC[C@@H](C)C[C@@H]1C ZINC000082857864 572156602 /nfs/dbraw/zinc/15/66/02/572156602.db2.gz JHIMDYFVLVXTJO-AGIUHOORSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@@]1([NH3+])CC[C@@H](C)C[C@@H]1C ZINC000082857865 572155488 /nfs/dbraw/zinc/15/54/88/572155488.db2.gz JHIMDYFVLVXTJO-FRRDWIJNSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CC[C@]1([NH3+])CC[C@@H](C)C[C@H]1C ZINC000082857880 573238769 /nfs/dbraw/zinc/23/87/69/573238769.db2.gz PZYUVLFYMLARQS-UPJWGTAASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@]1([NH3+])CC[C@H](C)C[C@H]1C ZINC000082857881 573239256 /nfs/dbraw/zinc/23/92/56/573239256.db2.gz PZYUVLFYMLARQS-XQQFMLRXSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])C[C@H](C)CC[C@@H]1C ZINC000082858105 573239457 /nfs/dbraw/zinc/23/94/57/573239457.db2.gz DXWQOVQYOKCHIU-RNJOBUHISA-N 1 0 197.366 3.576 10 0 AHAERO CCCCC[C@]1([NH3+])C[C@H](C)CC[C@@H]1C ZINC000082858160 572155389 /nfs/dbraw/zinc/15/53/89/572155389.db2.gz JJWNBLIQGDVREA-AGIUHOORSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@@]1([NH3+])C[C@H](C)CC[C@@H]1C ZINC000082858161 572155214 /nfs/dbraw/zinc/15/52/14/572155214.db2.gz JJWNBLIQGDVREA-FRRDWIJNSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@]1([NH3+])C[C@@H](C)CC[C@@H]1C ZINC000082858162 572155184 /nfs/dbraw/zinc/15/51/84/572155184.db2.gz JJWNBLIQGDVREA-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@@]1([NH3+])C[C@@H](C)CC[C@@H]1C ZINC000082858163 572155768 /nfs/dbraw/zinc/15/57/68/572155768.db2.gz JJWNBLIQGDVREA-RWMBFGLXSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CC[C@]1([NH3+])C[C@H](C)CC[C@@H]1C ZINC000082858176 573242244 /nfs/dbraw/zinc/24/22/44/573242244.db2.gz NXYHBAKIJJTUQB-AGIUHOORSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@]1([NH3+])C[C@@H](C)CC[C@@H]1C ZINC000082858177 573240067 /nfs/dbraw/zinc/24/00/67/573240067.db2.gz NXYHBAKIJJTUQB-AVGNSLFASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@]1([NH3+])C[C@H](C)CC[C@H]1C ZINC000082858178 573242359 /nfs/dbraw/zinc/24/23/59/573242359.db2.gz NXYHBAKIJJTUQB-UPJWGTAASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@]1([NH3+])C[C@@H](C)CC[C@H]1C ZINC000082858179 573241978 /nfs/dbraw/zinc/24/19/78/573241978.db2.gz NXYHBAKIJJTUQB-XQQFMLRXSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH3+] ZINC000082865526 573251005 /nfs/dbraw/zinc/25/10/05/573251005.db2.gz KLUPITWVLDACLH-TUAOUCFPSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC(C)(C)[C@H]1CC[C@H](C)C[C@@H]1[NH3+] ZINC000082865527 572160464 /nfs/dbraw/zinc/16/04/64/572160464.db2.gz KLUPITWVLDACLH-SRVKXCTJSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH3+] ZINC000082865528 573248117 /nfs/dbraw/zinc/24/81/17/573248117.db2.gz KLUPITWVLDACLH-UTUOFQBUSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC(C)(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH3+] ZINC000082865529 572161890 /nfs/dbraw/zinc/16/18/90/572161890.db2.gz KLUPITWVLDACLH-WOPDTQHZSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)(C)[C@@H](C[NH3+])C1CCCCCC1 ZINC000082910903 171128823 /nfs/dbraw/zinc/12/88/23/171128823.db2.gz AZKOAXOAFDHXRX-LBPRGKRZSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)(C)[C@H](C[NH3+])C1CCCCCC1 ZINC000082910904 166379822 /nfs/dbraw/zinc/37/98/22/166379822.db2.gz AZKOAXOAFDHXRX-GFCCVEGCSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[NH2+][C@@H](CCC(C)C)CC1CC1 ZINC000083000107 572170468 /nfs/dbraw/zinc/17/04/68/572170468.db2.gz KXVAYAHRDGEWIF-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CCC(C)C)CC1CC1 ZINC000083000108 572170672 /nfs/dbraw/zinc/17/06/72/572170672.db2.gz KXVAYAHRDGEWIF-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC1CC1)CC(C)(C)C ZINC000083000334 572170114 /nfs/dbraw/zinc/17/01/14/572170114.db2.gz GMPDQQXDJUZIOA-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC1CC1)CC(C)(C)C ZINC000083000335 572169942 /nfs/dbraw/zinc/16/99/42/572169942.db2.gz GMPDQQXDJUZIOA-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@@H]1CC[C@H]([NH2+]C)[C@@H]1C ZINC000083032808 572171774 /nfs/dbraw/zinc/17/17/74/572171774.db2.gz AGNYNSKUMBIERY-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@H]1CC[C@H]([NH2+]C)[C@@H]1C ZINC000083032811 572171641 /nfs/dbraw/zinc/17/16/41/572171641.db2.gz AGNYNSKUMBIERY-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@@H]1CC[C@@H]([NH2+]C)[C@@H]1C ZINC000083032812 572172316 /nfs/dbraw/zinc/17/23/16/572172316.db2.gz AGNYNSKUMBIERY-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@H]1CC[C@@H]([NH2+]C)[C@@H]1C ZINC000083032815 572171462 /nfs/dbraw/zinc/17/14/62/572171462.db2.gz AGNYNSKUMBIERY-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1CC[C@H]([NH2+]CCC)[C@@H]1C ZINC000083035005 573363348 /nfs/dbraw/zinc/36/33/48/573363348.db2.gz OZNQBSDKIOCWPZ-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]1CC[C@H]([NH2+]CCC)[C@@H]1C ZINC000083035007 572187240 /nfs/dbraw/zinc/18/72/40/572187240.db2.gz OZNQBSDKIOCWPZ-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1CC[C@@H]([NH2+]CCC)[C@@H]1C ZINC000083035012 572187456 /nfs/dbraw/zinc/18/74/56/572187456.db2.gz OZNQBSDKIOCWPZ-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]1CC[C@@H]([NH2+]CCC)[C@@H]1C ZINC000083035017 572186051 /nfs/dbraw/zinc/18/60/51/572186051.db2.gz OZNQBSDKIOCWPZ-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[NH2+][C@@H]1CC[C@H](C)[C@@H]1C ZINC000083041637 572187510 /nfs/dbraw/zinc/18/75/10/572187510.db2.gz WWPDBGPSSHHVRV-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[NH2+][C@H]1CC[C@H](C)[C@@H]1C ZINC000083041640 572186880 /nfs/dbraw/zinc/18/68/80/572186880.db2.gz WWPDBGPSSHHVRV-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[NH2+][C@@H]1CC[C@@H](C)[C@@H]1C ZINC000083041645 572186329 /nfs/dbraw/zinc/18/63/29/572186329.db2.gz WWPDBGPSSHHVRV-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[NH2+][C@H]1CC[C@@H](C)[C@@H]1C ZINC000083041648 572186251 /nfs/dbraw/zinc/18/62/51/572186251.db2.gz WWPDBGPSSHHVRV-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CC)[C@@H]1C ZINC000083047171 572189200 /nfs/dbraw/zinc/18/92/00/572189200.db2.gz JZFIZKMGLDOSNR-ZDEQEGDKSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[NH2+][C@@H]1CC[C@@H](CC)[C@H]1C ZINC000083047643 572188426 /nfs/dbraw/zinc/18/84/26/572188426.db2.gz RMNHHQQDEXYILF-NQBHXWOUSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[NH2+][C@@H]1CC[C@H](CC)[C@H]1C ZINC000083047644 572190144 /nfs/dbraw/zinc/19/01/44/572190144.db2.gz RMNHHQQDEXYILF-NTZNESFSSA-N 1 0 197.366 3.589 10 0 AHAERO CCCCC[NH2+][C@@H]1CC[C@H](CC)[C@@H]1C ZINC000083047812 572189322 /nfs/dbraw/zinc/18/93/22/572189322.db2.gz HTWUSMHSXBDSOG-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+][C@H]1CC[C@H](CC)[C@@H]1C ZINC000083047813 572188659 /nfs/dbraw/zinc/18/86/59/572188659.db2.gz HTWUSMHSXBDSOG-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+][C@@H]1CC[C@@H](CC)[C@@H]1C ZINC000083047814 572189351 /nfs/dbraw/zinc/18/93/51/572189351.db2.gz HTWUSMHSXBDSOG-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+][C@H]1CC[C@@H](CC)[C@@H]1C ZINC000083047815 572190200 /nfs/dbraw/zinc/19/02/00/572190200.db2.gz HTWUSMHSXBDSOG-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+][C@@H](CC)C1CC1 ZINC000083056669 572191976 /nfs/dbraw/zinc/19/19/76/572191976.db2.gz ZQSYDWIETWWXEJ-MFKMUULPSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@@H](CC)C1CC1 ZINC000083056670 572190942 /nfs/dbraw/zinc/19/09/42/572190942.db2.gz ZQSYDWIETWWXEJ-GWCFXTLKSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+][C@H](CC)C1CC1 ZINC000083056671 572191878 /nfs/dbraw/zinc/19/18/78/572191878.db2.gz ZQSYDWIETWWXEJ-ZWNOBZJWSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@H](CC)C1CC1 ZINC000083056672 572192448 /nfs/dbraw/zinc/19/24/48/572192448.db2.gz ZQSYDWIETWWXEJ-GXFFZTMASA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@@H](CC)C[C@H]([NH3+])C1CCC1 ZINC000083121506 573414876 /nfs/dbraw/zinc/41/48/76/573414876.db2.gz VJXRLQBIEUITFZ-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)C[C@H]([NH3+])C1CCC1 ZINC000083121509 572198829 /nfs/dbraw/zinc/19/88/29/572198829.db2.gz VJXRLQBIEUITFZ-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H](CC)C[C@@H]([NH3+])C1CCC1 ZINC000083121511 572196696 /nfs/dbraw/zinc/19/66/96/572196696.db2.gz VJXRLQBIEUITFZ-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)C[C@@H]([NH3+])C1CCC1 ZINC000083121512 572198196 /nfs/dbraw/zinc/19/81/96/572198196.db2.gz VJXRLQBIEUITFZ-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[NH2+][C@@H](CCC(C)(C)C)C1CCC1 ZINC000083122223 572199768 /nfs/dbraw/zinc/19/97/68/572199768.db2.gz YDKFCTAFHMASHP-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC(C)(C)C)C1CCC1 ZINC000083122226 572200614 /nfs/dbraw/zinc/20/06/14/572200614.db2.gz YDKFCTAFHMASHP-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@H]([NH2+]CC)C1CCC1 ZINC000083122249 572201239 /nfs/dbraw/zinc/20/12/39/572201239.db2.gz DWJURWCDPFVRFJ-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@@H]([NH2+]CC)C1CCC1 ZINC000083122251 572199458 /nfs/dbraw/zinc/19/94/58/572199458.db2.gz DWJURWCDPFVRFJ-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](C)C[C@H]([NH2+]CC)C1CCC1 ZINC000083122431 572200620 /nfs/dbraw/zinc/20/06/20/572200620.db2.gz BWXKXXPTIQLDTP-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@H]([NH2+]CC)C1CCC1 ZINC000083122435 572199133 /nfs/dbraw/zinc/19/91/33/572199133.db2.gz BWXKXXPTIQLDTP-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@@H]([NH2+]CC)C1CCC1 ZINC000083122438 572200238 /nfs/dbraw/zinc/20/02/38/572200238.db2.gz BWXKXXPTIQLDTP-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH2+]CC)C1CCC1 ZINC000083122440 572201103 /nfs/dbraw/zinc/20/11/03/572201103.db2.gz BWXKXXPTIQLDTP-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H]([NH2+]CCC)C1CCC1 ZINC000083122562 572201216 /nfs/dbraw/zinc/20/12/16/572201216.db2.gz AYPRLCGLNFBXTH-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@@H]([NH2+]CCC)C1CCC1 ZINC000083122563 572199558 /nfs/dbraw/zinc/19/95/58/572199558.db2.gz AYPRLCGLNFBXTH-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H](CCC(C)C)C1CCC1 ZINC000083122573 572199893 /nfs/dbraw/zinc/19/98/93/572199893.db2.gz MZTPYWVHXQZKIT-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CCC(C)C)C1CCC1 ZINC000083122576 572199921 /nfs/dbraw/zinc/19/99/21/572199921.db2.gz MZTPYWVHXQZKIT-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C[C@@H](C)CC)C1CCC1 ZINC000083122609 572200420 /nfs/dbraw/zinc/20/04/20/572200420.db2.gz KUWRGKIQIOGYBQ-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C[C@@H](C)CC)C1CCC1 ZINC000083122612 572200800 /nfs/dbraw/zinc/20/08/00/572200800.db2.gz KUWRGKIQIOGYBQ-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C[C@H](C)CC)C1CCC1 ZINC000083122614 572200973 /nfs/dbraw/zinc/20/09/73/572200973.db2.gz KUWRGKIQIOGYBQ-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C[C@H](C)CC)C1CCC1 ZINC000083122615 572200184 /nfs/dbraw/zinc/20/01/84/572200184.db2.gz KUWRGKIQIOGYBQ-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC1CCC([NH3+])(CCC)CC1 ZINC000083184984 572198565 /nfs/dbraw/zinc/19/85/65/572198565.db2.gz QTZIKFDZUBOAJR-UHFFFAOYSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[C@@]([NH3+])(CC)CCCC ZINC000083185948 572196382 /nfs/dbraw/zinc/19/63/82/572196382.db2.gz HEVPUHVDXJNMRB-GFCCVEGCSA-N 1 0 185.355 3.864 10 0 AHAERO CCCCC[C@]([NH3+])(CC)CCCC ZINC000083185950 572198579 /nfs/dbraw/zinc/19/85/79/572198579.db2.gz HEVPUHVDXJNMRB-LBPRGKRZSA-N 1 0 185.355 3.864 10 0 AHAERO CCCC[C@@]([NH3+])(CC)CCC(C)C ZINC000083185990 572196374 /nfs/dbraw/zinc/19/63/74/572196374.db2.gz OBVUUSXCQQBCRQ-LBPRGKRZSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@]([NH3+])(CC)CCC(C)C ZINC000083185993 572198029 /nfs/dbraw/zinc/19/80/29/572198029.db2.gz OBVUUSXCQQBCRQ-GFCCVEGCSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@@]([NH3+])(CC)CC1CCCC1 ZINC000083186076 572197329 /nfs/dbraw/zinc/19/73/29/572197329.db2.gz SGYVYOTWXQVYBM-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO CCCC[C@]([NH3+])(CC)CC1CCCC1 ZINC000083186078 572198585 /nfs/dbraw/zinc/19/85/85/572198585.db2.gz SGYVYOTWXQVYBM-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CC(C)(C)[NH2+]CC1CCCCCCC1 ZINC000083187797 573445281 /nfs/dbraw/zinc/44/52/81/573445281.db2.gz LOQIFGRMCFYAEZ-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@H](C)[NH2+]CC1CCCCCCC1 ZINC000083187815 572196678 /nfs/dbraw/zinc/19/66/78/572196678.db2.gz ZFSFANAILNKPRS-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@H](C)[NH2+]CC1CCCCCCC1 ZINC000083187818 572196575 /nfs/dbraw/zinc/19/65/75/572196575.db2.gz ZFSFANAILNKPRS-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC(CC)(CC)[NH2+]CC(C)(C)C ZINC000083387928 572206445 /nfs/dbraw/zinc/20/64/45/572206445.db2.gz LNMQZGVGZXLLFH-UHFFFAOYSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](C)C[NH2+]C(CC)(CC)CC ZINC000083387940 572208763 /nfs/dbraw/zinc/20/87/63/572208763.db2.gz IRVOQBMGVSFOLU-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](C)C[NH2+]C(CC)(CC)CC ZINC000083387941 572207715 /nfs/dbraw/zinc/20/77/15/572207715.db2.gz IRVOQBMGVSFOLU-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCC(CC)(CC)NC(=[NH2+])C(C)(C)C ZINC000083388788 572207711 /nfs/dbraw/zinc/20/77/11/572207711.db2.gz NVKCXMXUBCNRAE-UHFFFAOYSA-N 1 0 198.354 3.568 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000083391603 572206537 /nfs/dbraw/zinc/20/65/37/572206537.db2.gz QLQQUONUJSVCEN-GMXVVIOVSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000083391608 572208051 /nfs/dbraw/zinc/20/80/51/572208051.db2.gz QLQQUONUJSVCEN-GVXVVHGQSA-N 1 0 197.366 3.589 10 0 AHAERO CCCCC[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000083427068 572220462 /nfs/dbraw/zinc/22/04/62/572220462.db2.gz GGTKPGPBBQPYAY-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000083427069 572222631 /nfs/dbraw/zinc/22/26/31/572222631.db2.gz GGTKPGPBBQPYAY-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000083427070 572221831 /nfs/dbraw/zinc/22/18/31/572221831.db2.gz GGTKPGPBBQPYAY-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000083427071 572220124 /nfs/dbraw/zinc/22/01/24/572220124.db2.gz GGTKPGPBBQPYAY-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)CC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000083427084 572220661 /nfs/dbraw/zinc/22/06/61/572220661.db2.gz NITFCCSFBCCNDM-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000083427085 572222248 /nfs/dbraw/zinc/22/22/48/572222248.db2.gz NITFCCSFBCCNDM-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000083427086 572221722 /nfs/dbraw/zinc/22/17/22/572221722.db2.gz NITFCCSFBCCNDM-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000083427087 572222442 /nfs/dbraw/zinc/22/24/42/572222442.db2.gz NITFCCSFBCCNDM-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[C@@]1([NH3+])CCC[C@@H](C)CC1 ZINC000083427478 573494930 /nfs/dbraw/zinc/49/49/30/573494930.db2.gz VWRQNWAQJPOQOH-OLZOCXBDSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CC[C@@]1([NH3+])CCC[C@H](C)CC1 ZINC000083427480 573494893 /nfs/dbraw/zinc/49/48/93/573494893.db2.gz VWRQNWAQJPOQOH-STQMWFEESA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CC[C@]1([NH3+])CCC[C@@H](C)CC1 ZINC000083427481 573494028 /nfs/dbraw/zinc/49/40/28/573494028.db2.gz VWRQNWAQJPOQOH-CHWSQXEVSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CC[C@]1([NH3+])CCC[C@H](C)CC1 ZINC000083427482 573493306 /nfs/dbraw/zinc/49/33/06/573493306.db2.gz VWRQNWAQJPOQOH-QWHCGFSZSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])CCC[C@H](C)CC1 ZINC000083427484 573493782 /nfs/dbraw/zinc/49/37/82/573493782.db2.gz VLCPNVHBLKIWNL-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@@]1([NH3+])CCC[C@H](C)CC1 ZINC000083427486 573494424 /nfs/dbraw/zinc/49/44/24/573494424.db2.gz VLCPNVHBLKIWNL-RWMBFGLXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@]1([NH3+])CCC[C@H](C)CC1 ZINC000083427568 572220921 /nfs/dbraw/zinc/22/09/21/572220921.db2.gz CMHCVKDUTSOYSP-STQMWFEESA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[C@@]1([NH3+])CCC[C@H](C)CC1 ZINC000083427569 572221144 /nfs/dbraw/zinc/22/11/44/572221144.db2.gz CMHCVKDUTSOYSP-QWHCGFSZSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[C@]1([NH3+])CCC[C@@H](C)CC1 ZINC000083427570 572222447 /nfs/dbraw/zinc/22/24/47/572222447.db2.gz CMHCVKDUTSOYSP-OLZOCXBDSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[C@@]1([NH3+])CCC[C@@H](C)CC1 ZINC000083427571 572221320 /nfs/dbraw/zinc/22/13/20/572221320.db2.gz CMHCVKDUTSOYSP-CHWSQXEVSA-N 1 0 197.366 3.864 10 0 AHAERO C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C)CC1 ZINC000083427784 573499255 /nfs/dbraw/zinc/49/92/55/573499255.db2.gz JZSWKDRCIQTCRQ-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CCC[C@H]([NH2+]CC(C)(C)C)CC1 ZINC000083427785 573499970 /nfs/dbraw/zinc/49/99/70/573499970.db2.gz JZSWKDRCIQTCRQ-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C)CC1 ZINC000083427786 573501539 /nfs/dbraw/zinc/50/15/39/573501539.db2.gz JZSWKDRCIQTCRQ-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C)CC1 ZINC000083427787 573498278 /nfs/dbraw/zinc/49/82/78/573498278.db2.gz JZSWKDRCIQTCRQ-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000083427983 572220820 /nfs/dbraw/zinc/22/08/20/572220820.db2.gz IRKVPZWOQADIKN-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000083427985 572220925 /nfs/dbraw/zinc/22/09/25/572220925.db2.gz IRKVPZWOQADIKN-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[NH2+][C@H]1CCC[C@@H](CC)CC1 ZINC000083435025 572221577 /nfs/dbraw/zinc/22/15/77/572221577.db2.gz QIPPGZAQENRRFJ-XQQFMLRXSA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](CC)CC1 ZINC000083435027 572220193 /nfs/dbraw/zinc/22/01/93/572220193.db2.gz QIPPGZAQENRRFJ-YNEHKIRRSA-N 1 0 197.366 3.733 10 0 AHAERO CC(C)C[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000083435037 573497926 /nfs/dbraw/zinc/49/79/26/573497926.db2.gz GQTCPSOKEGHPNN-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000083435038 573500336 /nfs/dbraw/zinc/50/03/36/573500336.db2.gz GQTCPSOKEGHPNN-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[NH2+][C@@H]1CCC[C@H](CC)CC1 ZINC000083435091 572221611 /nfs/dbraw/zinc/22/16/11/572221611.db2.gz XLZVWZZURXQYCT-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[NH2+][C@H]1CCC[C@H](CC)CC1 ZINC000083435092 572222351 /nfs/dbraw/zinc/22/23/51/572222351.db2.gz XLZVWZZURXQYCT-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[NH2+][C@@H]1CCC[C@@H](CC)CC1 ZINC000083435093 572221590 /nfs/dbraw/zinc/22/15/90/572221590.db2.gz XLZVWZZURXQYCT-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[NH2+][C@H]1CCC[C@@H](CC)CC1 ZINC000083435094 572220345 /nfs/dbraw/zinc/22/03/45/572220345.db2.gz XLZVWZZURXQYCT-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000083435095 572222283 /nfs/dbraw/zinc/22/22/83/572222283.db2.gz MLGFIGIUTGEJME-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000083435096 572221338 /nfs/dbraw/zinc/22/13/38/572221338.db2.gz MLGFIGIUTGEJME-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@H]1CCC[C@]([NH3+])(CC(C)C)CC1 ZINC000083435228 573501779 /nfs/dbraw/zinc/50/17/79/573501779.db2.gz DNQCGCAFYPRJPC-CHWSQXEVSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CCC[C@]([NH3+])(CC(C)C)CC1 ZINC000083435229 573501705 /nfs/dbraw/zinc/50/17/05/573501705.db2.gz DNQCGCAFYPRJPC-QWHCGFSZSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]1CCC[C@@]([NH3+])(CC(C)C)CC1 ZINC000083435230 573501771 /nfs/dbraw/zinc/50/17/71/573501771.db2.gz DNQCGCAFYPRJPC-OLZOCXBDSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CCC[C@@]([NH3+])(CC(C)C)CC1 ZINC000083435231 573498221 /nfs/dbraw/zinc/49/82/21/573498221.db2.gz DNQCGCAFYPRJPC-STQMWFEESA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@]1([NH3+])CCC[C@H](CC)CC1 ZINC000083435232 572220166 /nfs/dbraw/zinc/22/01/66/572220166.db2.gz RHTUPIXWWANESS-STQMWFEESA-N 1 0 197.366 3.864 10 0 AHAERO CCCC[C@@]1([NH3+])CCC[C@H](CC)CC1 ZINC000083435233 572222468 /nfs/dbraw/zinc/22/24/68/572222468.db2.gz RHTUPIXWWANESS-QWHCGFSZSA-N 1 0 197.366 3.864 10 0 AHAERO CCCC[C@]1([NH3+])CCC[C@@H](CC)CC1 ZINC000083435234 572221607 /nfs/dbraw/zinc/22/16/07/572221607.db2.gz RHTUPIXWWANESS-OLZOCXBDSA-N 1 0 197.366 3.864 10 0 AHAERO CCCC[C@@]1([NH3+])CCC[C@@H](CC)CC1 ZINC000083435235 572221680 /nfs/dbraw/zinc/22/16/80/572221680.db2.gz RHTUPIXWWANESS-CHWSQXEVSA-N 1 0 197.366 3.864 10 0 AHAERO CC(C)C[C@]1([NH3+])CCCC(C)(C)CC1 ZINC000083435386 573506621 /nfs/dbraw/zinc/50/66/21/573506621.db2.gz PTDCWJRYUKHPAO-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)C[C@@]1([NH3+])CCCC(C)(C)CC1 ZINC000083435387 573506470 /nfs/dbraw/zinc/50/64/70/573506470.db2.gz PTDCWJRYUKHPAO-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@]1([NH3+])CCCC(C)(C)CC1 ZINC000083435400 573507112 /nfs/dbraw/zinc/50/71/12/573507112.db2.gz PEPFBEIZVGGQFP-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO CCCC[C@@]1([NH3+])CCCC(C)(C)CC1 ZINC000083435401 573504528 /nfs/dbraw/zinc/50/45/28/573504528.db2.gz PEPFBEIZVGGQFP-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@H](C(C)C)CC1 ZINC000083437100 572214472 /nfs/dbraw/zinc/21/44/72/572214472.db2.gz HSSOTWJTEVARIR-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCC[C@H](C(C)C)CC1 ZINC000083437101 572214840 /nfs/dbraw/zinc/21/48/40/572214840.db2.gz HSSOTWJTEVARIR-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@@H](C(C)C)CC1 ZINC000083437102 572215196 /nfs/dbraw/zinc/21/51/96/572215196.db2.gz HSSOTWJTEVARIR-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCC[C@@H](C(C)C)CC1 ZINC000083437103 572214495 /nfs/dbraw/zinc/21/44/95/572214495.db2.gz HSSOTWJTEVARIR-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCC[C@@H](CCC)CC1 ZINC000083437104 572215318 /nfs/dbraw/zinc/21/53/18/572215318.db2.gz NKCGQIUQTOGRKP-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@H]1CCC[C@H](CCC)CC1 ZINC000083437105 572215693 /nfs/dbraw/zinc/21/56/93/572215693.db2.gz NKCGQIUQTOGRKP-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@@H](CCC)CC1 ZINC000083437106 572215723 /nfs/dbraw/zinc/21/57/23/572215723.db2.gz NKCGQIUQTOGRKP-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@H](CCC)CC1 ZINC000083437107 572216064 /nfs/dbraw/zinc/21/60/64/572216064.db2.gz NKCGQIUQTOGRKP-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)[NH2+][C@H]1CCC[C@@H](C(C)C)CC1 ZINC000083437140 573503107 /nfs/dbraw/zinc/50/31/07/573503107.db2.gz CPSVRBIUJMPURM-OLZOCXBDSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)[NH2+][C@H]1CCC[C@H](C(C)C)CC1 ZINC000083437141 573506585 /nfs/dbraw/zinc/50/65/85/573506585.db2.gz CPSVRBIUJMPURM-STQMWFEESA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)[NH2+][C@@H]1CCC[C@@H](C(C)C)CC1 ZINC000083437142 573504800 /nfs/dbraw/zinc/50/48/00/573504800.db2.gz CPSVRBIUJMPURM-CHWSQXEVSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)[NH2+][C@@H]1CCC[C@H](C(C)C)CC1 ZINC000083437143 573505448 /nfs/dbraw/zinc/50/54/48/573505448.db2.gz CPSVRBIUJMPURM-QWHCGFSZSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@@H]1CCC[C@H]([NH2+]C(C)C)CC1 ZINC000083437144 572216061 /nfs/dbraw/zinc/21/60/61/572216061.db2.gz IYBIULYLIAGYNL-OLZOCXBDSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@H]1CCC[C@H]([NH2+]C(C)C)CC1 ZINC000083437145 572215462 /nfs/dbraw/zinc/21/54/62/572215462.db2.gz IYBIULYLIAGYNL-STQMWFEESA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@@H]1CCC[C@@H]([NH2+]C(C)C)CC1 ZINC000083437146 572214145 /nfs/dbraw/zinc/21/41/45/572214145.db2.gz IYBIULYLIAGYNL-CHWSQXEVSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@H]1CCC[C@@H]([NH2+]C(C)C)CC1 ZINC000083437147 572216030 /nfs/dbraw/zinc/21/60/30/572216030.db2.gz IYBIULYLIAGYNL-QWHCGFSZSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@@H]1CCC[C@]([NH3+])(C(C)C)CC1 ZINC000083437352 573503445 /nfs/dbraw/zinc/50/34/45/573503445.db2.gz AEHPWKMOGAVZSS-CHWSQXEVSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H]1CCC[C@]([NH3+])(C(C)C)CC1 ZINC000083437353 573505589 /nfs/dbraw/zinc/50/55/89/573505589.db2.gz AEHPWKMOGAVZSS-QWHCGFSZSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H]1CCC[C@@]([NH3+])(C(C)C)CC1 ZINC000083437354 573504228 /nfs/dbraw/zinc/50/42/28/573504228.db2.gz AEHPWKMOGAVZSS-OLZOCXBDSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H]1CCC[C@@]([NH3+])(C(C)C)CC1 ZINC000083437355 573503037 /nfs/dbraw/zinc/50/30/37/573503037.db2.gz AEHPWKMOGAVZSS-STQMWFEESA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H]1CCC[C@]([NH3+])(CCC)CC1 ZINC000083437420 572215643 /nfs/dbraw/zinc/21/56/43/572215643.db2.gz SDBIUTADFKTCLL-CHWSQXEVSA-N 1 0 197.366 3.864 10 0 AHAERO CCC[C@H]1CCC[C@]([NH3+])(CCC)CC1 ZINC000083437421 572215326 /nfs/dbraw/zinc/21/53/26/572215326.db2.gz SDBIUTADFKTCLL-QWHCGFSZSA-N 1 0 197.366 3.864 10 0 AHAERO CCC[C@@H]1CCC[C@@]([NH3+])(CCC)CC1 ZINC000083437422 572215865 /nfs/dbraw/zinc/21/58/65/572215865.db2.gz SDBIUTADFKTCLL-OLZOCXBDSA-N 1 0 197.366 3.864 10 0 AHAERO CCC[C@H]1CCC[C@@]([NH3+])(CCC)CC1 ZINC000083437423 572215529 /nfs/dbraw/zinc/21/55/29/572215529.db2.gz SDBIUTADFKTCLL-STQMWFEESA-N 1 0 197.366 3.864 10 0 AHAERO CC(C)[C@@H]1CCC[C@]([NH3+])(C(C)C)CC1 ZINC000083437484 573503251 /nfs/dbraw/zinc/50/32/51/573503251.db2.gz QNFIPRCZQKDGFT-CHWSQXEVSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@H]1CCC[C@]([NH3+])(C(C)C)CC1 ZINC000083437485 573503675 /nfs/dbraw/zinc/50/36/75/573503675.db2.gz QNFIPRCZQKDGFT-QWHCGFSZSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@@H]1CCC[C@@]([NH3+])(C(C)C)CC1 ZINC000083437486 573504454 /nfs/dbraw/zinc/50/44/54/573504454.db2.gz QNFIPRCZQKDGFT-OLZOCXBDSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@H]1CCC[C@@]([NH3+])(C(C)C)CC1 ZINC000083437487 573506918 /nfs/dbraw/zinc/50/69/18/573506918.db2.gz QNFIPRCZQKDGFT-STQMWFEESA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@]1([NH3+])CCC[C@H](C(C)C)CC1 ZINC000083437512 573503277 /nfs/dbraw/zinc/50/32/77/573503277.db2.gz GLPOSJISJGQVON-STQMWFEESA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@]1([NH3+])CCC[C@H](C(C)C)CC1 ZINC000083437513 573503432 /nfs/dbraw/zinc/50/34/32/573503432.db2.gz GLPOSJISJGQVON-QWHCGFSZSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@]1([NH3+])CCC[C@@H](C(C)C)CC1 ZINC000083437514 573506858 /nfs/dbraw/zinc/50/68/58/573506858.db2.gz GLPOSJISJGQVON-OLZOCXBDSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@]1([NH3+])CCC[C@@H](C(C)C)CC1 ZINC000083437515 573507484 /nfs/dbraw/zinc/50/74/84/573507484.db2.gz GLPOSJISJGQVON-CHWSQXEVSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H]1CCC/C(=C\CC[NH3+])CC1 ZINC000083438340 572215989 /nfs/dbraw/zinc/21/59/89/572215989.db2.gz RSEFPZGRDHLMLO-FMNNIJNLSA-N 1 0 195.350 3.642 10 0 AHAERO CCC[C@H]1CCC/C(=C\CC[NH3+])CC1 ZINC000083438341 572214970 /nfs/dbraw/zinc/21/49/70/572214970.db2.gz RSEFPZGRDHLMLO-OXBCTQFSSA-N 1 0 195.350 3.642 10 0 AHAERO CC[C@]1([NH3+])CCC[C@H](C(C)(C)C)CC1 ZINC000083438560 573512247 /nfs/dbraw/zinc/51/22/47/573512247.db2.gz GOVFNWDVASKBMK-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@]1([NH3+])CCC[C@H](C(C)(C)C)CC1 ZINC000083438561 573511768 /nfs/dbraw/zinc/51/17/68/573511768.db2.gz GOVFNWDVASKBMK-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@]1([NH3+])CCC[C@@H](C(C)(C)C)CC1 ZINC000083438562 573509687 /nfs/dbraw/zinc/50/96/87/573509687.db2.gz GOVFNWDVASKBMK-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@]1([NH3+])CCC[C@@H](C(C)(C)C)CC1 ZINC000083438563 573511593 /nfs/dbraw/zinc/51/15/93/573511593.db2.gz GOVFNWDVASKBMK-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)[C@@H]1CCC[C@H](CC[NH3+])CC1 ZINC000083438766 573509650 /nfs/dbraw/zinc/50/96/50/573509650.db2.gz DLURYNYSMHRVFT-NWDGAFQWSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)(C)[C@H]1CCC[C@H](CC[NH3+])CC1 ZINC000083438767 573508270 /nfs/dbraw/zinc/50/82/70/573508270.db2.gz DLURYNYSMHRVFT-RYUDHWBXSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)(C)[C@@H]1CCC[C@@H](CC[NH3+])CC1 ZINC000083438768 573512406 /nfs/dbraw/zinc/51/24/06/573512406.db2.gz DLURYNYSMHRVFT-VXGBXAGGSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)(C)[C@H]1CCC[C@@H](CC[NH3+])CC1 ZINC000083438769 573512014 /nfs/dbraw/zinc/51/20/14/573512014.db2.gz DLURYNYSMHRVFT-NEPJUHHUSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[NH2+][C@@H](CC)c1csc(C)c1 ZINC000083451347 572220108 /nfs/dbraw/zinc/22/01/08/572220108.db2.gz VRVKIPQCQXKGQR-NSHDSACASA-N 1 0 197.347 3.507 10 0 AHAERO CCC[NH2+][C@H](CC)c1csc(C)c1 ZINC000083451350 572222108 /nfs/dbraw/zinc/22/21/08/572222108.db2.gz VRVKIPQCQXKGQR-LLVKDONJSA-N 1 0 197.347 3.507 10 0 AHAERO CCC[C@H]([NH2+]CC)c1csc(C)c1 ZINC000083451393 572221898 /nfs/dbraw/zinc/22/18/98/572221898.db2.gz VUPWUOCHASBXIG-NSHDSACASA-N 1 0 197.347 3.507 10 0 AHAERO CCC[C@@H]([NH2+]CC)c1csc(C)c1 ZINC000083451394 572220798 /nfs/dbraw/zinc/22/07/98/572220798.db2.gz VUPWUOCHASBXIG-LLVKDONJSA-N 1 0 197.347 3.507 10 0 AHAERO CCCCCC1=C[C@@H]([NH3+])CC(C)(C)C1 ZINC000083546931 572329669 /nfs/dbraw/zinc/32/96/69/572329669.db2.gz PVQHJGYBXKFGMS-GFCCVEGCSA-N 1 0 195.350 3.640 10 0 AHAERO CCCC[C@@H](CC)CC1=C[C@H]([NH3+])CC1 ZINC000083548529 572328148 /nfs/dbraw/zinc/32/81/48/572328148.db2.gz JIUASVYPPDLQQL-DGCLKSJQSA-N 1 0 195.350 3.640 10 0 AHAERO CCCC[C@H](CC)CC1=C[C@H]([NH3+])CC1 ZINC000083548531 572329802 /nfs/dbraw/zinc/32/98/02/572329802.db2.gz JIUASVYPPDLQQL-WCQYABFASA-N 1 0 195.350 3.640 10 0 AHAERO CCCC[C@@H](CC)CC1=C[C@@H]([NH3+])CC1 ZINC000083548533 572327981 /nfs/dbraw/zinc/32/79/81/572327981.db2.gz JIUASVYPPDLQQL-YPMHNXCESA-N 1 0 195.350 3.640 10 0 AHAERO CCCC[C@H](CC)CC1=C[C@@H]([NH3+])CC1 ZINC000083548535 572330182 /nfs/dbraw/zinc/33/01/82/572330182.db2.gz JIUASVYPPDLQQL-AAEUAGOBSA-N 1 0 195.350 3.640 10 0 AHAERO CCCC[C@@H](CC)CC1(C[NH3+])CCC1 ZINC000083570284 572339219 /nfs/dbraw/zinc/33/92/19/572339219.db2.gz LNDROWWKSVREAG-GFCCVEGCSA-N 1 0 197.366 3.722 10 0 AHAERO CCCC[C@H](CC)CC1(C[NH3+])CCC1 ZINC000083570285 572339100 /nfs/dbraw/zinc/33/91/00/572339100.db2.gz LNDROWWKSVREAG-LBPRGKRZSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCCCC1(C[NH2+]CC)CCC1 ZINC000083570673 572337554 /nfs/dbraw/zinc/33/75/54/572337554.db2.gz OFPGBLSDEAAWDI-UHFFFAOYSA-N 1 0 197.366 3.737 10 0 AHAERO CC[NH2+]CC1(CCC(C)(C)C)CCC1 ZINC000083570686 572339010 /nfs/dbraw/zinc/33/90/10/572339010.db2.gz PSQOVGPEFSQPIZ-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@@H](C)CC1(C[NH2+]CC)CCC1 ZINC000083570709 572337172 /nfs/dbraw/zinc/33/71/72/572337172.db2.gz YSBMSORSAHNXNN-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@H](C)CC1(C[NH2+]CC)CCC1 ZINC000083570711 572338720 /nfs/dbraw/zinc/33/87/20/572338720.db2.gz YSBMSORSAHNXNN-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCC1(C[NH2+]CCC)CCC1 ZINC000083570779 572336947 /nfs/dbraw/zinc/33/69/47/572336947.db2.gz JQIPQABQSWVCGN-UHFFFAOYSA-N 1 0 197.366 3.737 10 0 AHAERO CCC[NH2+]CC1(CCC(C)C)CCC1 ZINC000083570781 572337226 /nfs/dbraw/zinc/33/72/26/572337226.db2.gz RKBHLJYNZAXUAR-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC1(C[C@@H](C)CC)CCC1 ZINC000083570792 572338464 /nfs/dbraw/zinc/33/84/64/572338464.db2.gz BBDYSEJNYAUGHL-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC1(C[C@H](C)CC)CCC1 ZINC000083570794 572339038 /nfs/dbraw/zinc/33/90/38/572339038.db2.gz BBDYSEJNYAUGHL-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCC1(C[NH2+]C(C)C)CCC1 ZINC000083570868 572338517 /nfs/dbraw/zinc/33/85/17/572338517.db2.gz FWIKQUPTGIWIFQ-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)CCC1(C[NH2+]C(C)C)CCC1 ZINC000083570872 572338065 /nfs/dbraw/zinc/33/80/65/572338065.db2.gz HTJMHBVZRJJCHL-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)CC1(C[NH2+]C(C)C)CCC1 ZINC000083570878 572337627 /nfs/dbraw/zinc/33/76/27/572337627.db2.gz LVMNWHHPGOLQSQ-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)CC1(C[NH2+]C(C)C)CCC1 ZINC000083570880 572338561 /nfs/dbraw/zinc/33/85/61/572338561.db2.gz LVMNWHHPGOLQSQ-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC1(C[NH2+]C(C)(C)C)CCC1 ZINC000083571000 572339287 /nfs/dbraw/zinc/33/92/87/572339287.db2.gz BLPHJMOFVBKQKJ-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)CC1(C[NH2+]C(C)(C)C)CCC1 ZINC000083571002 572337983 /nfs/dbraw/zinc/33/79/83/572337983.db2.gz BCNFEFIIXCITIF-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC1(C[NH2+]CC(C)C)CCC1 ZINC000083571051 573559143 /nfs/dbraw/zinc/55/91/43/573559143.db2.gz OBMBHCGNJDTYRU-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)CC[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000083777688 572404163 /nfs/dbraw/zinc/40/41/63/572404163.db2.gz ILVUHSUNXBKYGQ-OLZOCXBDSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)CC[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000083777689 572406477 /nfs/dbraw/zinc/40/64/77/572406477.db2.gz ILVUHSUNXBKYGQ-STQMWFEESA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)CC[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000083777690 572404767 /nfs/dbraw/zinc/40/47/67/572404767.db2.gz ILVUHSUNXBKYGQ-CHWSQXEVSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)CC[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000083777691 572406934 /nfs/dbraw/zinc/40/69/34/572406934.db2.gz ILVUHSUNXBKYGQ-QWHCGFSZSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCC[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000083777724 572404299 /nfs/dbraw/zinc/40/42/99/572404299.db2.gz PBBJGJVPHKFOIA-STQMWFEESA-N 1 0 197.366 3.722 10 0 AHAERO CCCCC[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000083777725 572406890 /nfs/dbraw/zinc/40/68/90/572406890.db2.gz PBBJGJVPHKFOIA-QWHCGFSZSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCC[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000083777726 572406496 /nfs/dbraw/zinc/40/64/96/572406496.db2.gz PBBJGJVPHKFOIA-OLZOCXBDSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCC[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000083777727 572407041 /nfs/dbraw/zinc/40/70/41/572407041.db2.gz PBBJGJVPHKFOIA-CHWSQXEVSA-N 1 0 197.366 3.722 10 0 AHAERO CC[C@H](C)C[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000083777817 572404337 /nfs/dbraw/zinc/40/43/37/572404337.db2.gz GFVOQCMKUFDHRB-RWMBFGLXSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H](C)C[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000083777819 572406806 /nfs/dbraw/zinc/40/68/06/572406806.db2.gz GFVOQCMKUFDHRB-AVGNSLFASA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)CCC1(C[NH3+])CCC(C)CC1 ZINC000083777844 572405428 /nfs/dbraw/zinc/40/54/28/572405428.db2.gz KDATVSLWVYPXSR-UHFFFAOYSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCCC1(C[NH3+])CCC(C)CC1 ZINC000083777856 572405074 /nfs/dbraw/zinc/40/50/74/572405074.db2.gz HUWYTWSIVKKMMU-UHFFFAOYSA-N 1 0 197.366 3.722 10 0 AHAERO CC[C@@H](C)CC1(C[NH3+])CCC(C)CC1 ZINC000083777875 572404920 /nfs/dbraw/zinc/40/49/20/572404920.db2.gz KMLZSIJVEPVMAT-PNESKVBLSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H](C)CC1(C[NH3+])CCC(C)CC1 ZINC000083777876 572405882 /nfs/dbraw/zinc/40/58/82/572405882.db2.gz KMLZSIJVEPVMAT-HIFPTAJRSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCC1(C[NH3+])CCC(CC)CC1 ZINC000083778169 572406620 /nfs/dbraw/zinc/40/66/20/572406620.db2.gz AHBXGKJWGTUKRR-UHFFFAOYSA-N 1 0 197.366 3.722 10 0 AHAERO CCC1CCC(C[NH3+])(CC(C)C)CC1 ZINC000083778172 572404215 /nfs/dbraw/zinc/40/42/15/572404215.db2.gz OMJWWCCZSXGUCY-UHFFFAOYSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@H]([NH3+])C1CCC(CC)CC1 ZINC000083778274 572408753 /nfs/dbraw/zinc/40/87/53/572408753.db2.gz HKCQZCPJKJMGRZ-BPCQOVAHSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H]([NH3+])C1CCC(CC)CC1 ZINC000083778275 572410462 /nfs/dbraw/zinc/41/04/62/572410462.db2.gz HKCQZCPJKJMGRZ-WXRRBKDZSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H]([NH3+])C1CCC(C)(C)CC1 ZINC000083778678 572408979 /nfs/dbraw/zinc/40/89/79/572408979.db2.gz UTXHOKQSYHDKOP-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H]([NH3+])C1CCC(C)(C)CC1 ZINC000083778679 572410374 /nfs/dbraw/zinc/41/03/74/572410374.db2.gz UTXHOKQSYHDKOP-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)C[C@H]([NH3+])C1CCC(C)(C)CC1 ZINC000083778682 573630713 /nfs/dbraw/zinc/63/07/13/573630713.db2.gz NJRAHBCCHCMMJM-LBPRGKRZSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@H]([NH3+])C1CCC(C)(C)CC1 ZINC000083778683 573630778 /nfs/dbraw/zinc/63/07/78/573630778.db2.gz NJRAHBCCHCMMJM-GFCCVEGCSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)(C)[C@@H]([NH3+])C1CCC(C)(C)CC1 ZINC000083778730 573627926 /nfs/dbraw/zinc/62/79/26/573627926.db2.gz ORFFWCUUVDSZRU-NSHDSACASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)(C)[C@H]([NH3+])C1CCC(C)(C)CC1 ZINC000083778731 573627634 /nfs/dbraw/zinc/62/76/34/573627634.db2.gz ORFFWCUUVDSZRU-LLVKDONJSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H]([NH2+]C)C1CCC(C)(C)CC1 ZINC000083778816 572407535 /nfs/dbraw/zinc/40/75/35/572407535.db2.gz FIUGEAVWACTKPG-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]([NH2+]C)C1CCC(C)(C)CC1 ZINC000083778817 572409243 /nfs/dbraw/zinc/40/92/43/572409243.db2.gz FIUGEAVWACTKPG-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC)C1CCC(C)(C)CC1 ZINC000083778820 572408092 /nfs/dbraw/zinc/40/80/92/572408092.db2.gz AUHVWAXTEINVFM-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)C1CCC(C)(C)CC1 ZINC000083778821 572407816 /nfs/dbraw/zinc/40/78/16/572407816.db2.gz AUHVWAXTEINVFM-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)C1CCC(C)(C)CC1 ZINC000083778854 572410473 /nfs/dbraw/zinc/41/04/73/572410473.db2.gz VDRRAGWQNHCBHO-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C)C1CCC(C)(C)CC1 ZINC000083778855 572407513 /nfs/dbraw/zinc/40/75/13/572407513.db2.gz VDRRAGWQNHCBHO-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC1(C[NH3+])CCCCCC1 ZINC000083779041 572408484 /nfs/dbraw/zinc/40/84/84/572408484.db2.gz SNVAGKJSLWIGJY-UHFFFAOYSA-N 1 0 197.366 3.866 10 0 AHAERO CC(C)CCC1(C[NH3+])CCCCCC1 ZINC000083779044 572409156 /nfs/dbraw/zinc/40/91/56/572409156.db2.gz PAWLMGVYUAVLPD-UHFFFAOYSA-N 1 0 197.366 3.722 10 0 AHAERO CC[C@@H](C)CC1(C[NH3+])CCCCCC1 ZINC000083779061 572408470 /nfs/dbraw/zinc/40/84/70/572408470.db2.gz KINXEIOMEOFETD-GFCCVEGCSA-N 1 0 197.366 3.722 10 0 AHAERO CC[C@H](C)CC1(C[NH3+])CCCCCC1 ZINC000083779062 572410005 /nfs/dbraw/zinc/41/00/05/572410005.db2.gz KINXEIOMEOFETD-LBPRGKRZSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCC[C@H]([NH3+])C1CCCCCC1 ZINC000083779312 572409450 /nfs/dbraw/zinc/40/94/50/572409450.db2.gz WRMFKFGSYFUWDC-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[C@@H]([NH3+])C1CCCCCC1 ZINC000083779313 572408232 /nfs/dbraw/zinc/40/82/32/572408232.db2.gz WRMFKFGSYFUWDC-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CC(C)CC[C@H]([NH3+])C1CCCCCC1 ZINC000083779322 572407978 /nfs/dbraw/zinc/40/79/78/572407978.db2.gz GEDYAQUIUSGPQD-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CC[C@@H]([NH3+])C1CCCCCC1 ZINC000083779323 572409910 /nfs/dbraw/zinc/40/99/10/572409910.db2.gz GEDYAQUIUSGPQD-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)C[C@H]([NH3+])C1CCCCCC1 ZINC000083779336 572407663 /nfs/dbraw/zinc/40/76/63/572407663.db2.gz ASHQJFRXFUKZSW-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])C1CCCCCC1 ZINC000083779337 572408529 /nfs/dbraw/zinc/40/85/29/572408529.db2.gz ASHQJFRXFUKZSW-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)C[C@@H]([NH3+])C1CCCCCC1 ZINC000083779338 572408559 /nfs/dbraw/zinc/40/85/59/572408559.db2.gz ASHQJFRXFUKZSW-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@@H]([NH3+])C1CCCCCC1 ZINC000083779339 572409416 /nfs/dbraw/zinc/40/94/16/572409416.db2.gz ASHQJFRXFUKZSW-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H]([NH2+]C)C1CCCCCC1 ZINC000083779525 572410336 /nfs/dbraw/zinc/41/03/36/572410336.db2.gz ZFNAHEZFQQMAFC-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H]([NH2+]C)C1CCCCCC1 ZINC000083779528 572410166 /nfs/dbraw/zinc/41/01/66/572410166.db2.gz ZFNAHEZFQQMAFC-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO C[NH2+][C@@H](CC(C)C)C1CCCCCC1 ZINC000083779535 572408951 /nfs/dbraw/zinc/40/89/51/572408951.db2.gz GFDKDOVFOJCJGR-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](CC(C)C)C1CCCCCC1 ZINC000083779537 572407726 /nfs/dbraw/zinc/40/77/26/572407726.db2.gz GFDKDOVFOJCJGR-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C1CCCCCC1)C(C)(C)C ZINC000083779612 573627276 /nfs/dbraw/zinc/62/72/76/573627276.db2.gz DAGDWRTYKSQYQC-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](C1CCCCCC1)C(C)(C)C ZINC000083779614 573627114 /nfs/dbraw/zinc/62/71/14/573627114.db2.gz DAGDWRTYKSQYQC-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C(C)C)C1CCCCCC1 ZINC000083779720 573630769 /nfs/dbraw/zinc/63/07/69/573630769.db2.gz GLHKIHJUVASPCJ-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C(C)C)C1CCCCCC1 ZINC000083779722 572410514 /nfs/dbraw/zinc/41/05/14/572410514.db2.gz GLHKIHJUVASPCJ-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+]CC)C1CCCCCC1 ZINC000083779767 572410491 /nfs/dbraw/zinc/41/04/91/572410491.db2.gz DQJNYUJIRNWNTF-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H]([NH2+]CC)C1CCCCCC1 ZINC000083779769 572407697 /nfs/dbraw/zinc/40/76/97/572407697.db2.gz DQJNYUJIRNWNTF-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H](CC)C1CCCCCC1 ZINC000083779775 572407462 /nfs/dbraw/zinc/40/74/62/572407462.db2.gz IAOHNPGDIYWIGF-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@H](CC)C1CCCCCC1 ZINC000083779777 572410194 /nfs/dbraw/zinc/41/01/94/572410194.db2.gz IAOHNPGDIYWIGF-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC1CCC(C[NH3+])(CCC)CC1 ZINC000083780301 572408276 /nfs/dbraw/zinc/40/82/76/572408276.db2.gz CIUOIWGIUNZZPE-UHFFFAOYSA-N 1 0 197.366 3.722 10 0 AHAERO CCCC1(C[NH3+])CCC(C(C)C)CC1 ZINC000083780394 573631045 /nfs/dbraw/zinc/63/10/45/573631045.db2.gz BVVZBUTUGMWCPX-UHFFFAOYSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC1CCC([C@H]([NH3+])C(C)C)CC1 ZINC000083780619 573627401 /nfs/dbraw/zinc/62/74/01/573627401.db2.gz MEOQGXHLJZGUTR-WXRRBKDZSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC1CCC([C@@H]([NH3+])C(C)C)CC1 ZINC000083780621 572408921 /nfs/dbraw/zinc/40/89/21/572408921.db2.gz MEOQGXHLJZGUTR-BPCQOVAHSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H]([NH3+])C1CCC(CCC)CC1 ZINC000083780679 572408654 /nfs/dbraw/zinc/40/86/54/572408654.db2.gz WHPRJOMVNPSYLW-WXRRBKDZSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H]([NH3+])C1CCC(CCC)CC1 ZINC000083780681 572409096 /nfs/dbraw/zinc/40/90/96/572409096.db2.gz WHPRJOMVNPSYLW-BPCQOVAHSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC1CCC([C@@H](CC)[NH2+]C)CC1 ZINC000083780686 572408905 /nfs/dbraw/zinc/40/89/05/572408905.db2.gz ZWQZQEDNZCFOBH-WXRRBKDZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC1CCC([C@H](CC)[NH2+]C)CC1 ZINC000083780689 572408152 /nfs/dbraw/zinc/40/81/52/572408152.db2.gz ZWQZQEDNZCFOBH-BPCQOVAHSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC1CCC([C@@H](C)[NH2+]CC)CC1 ZINC000083780750 572407562 /nfs/dbraw/zinc/40/75/62/572407562.db2.gz LQKQTTADXJRTAQ-PNESKVBLSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC1CCC([C@H](C)[NH2+]CC)CC1 ZINC000083780752 572409784 /nfs/dbraw/zinc/40/97/84/572409784.db2.gz LQKQTTADXJRTAQ-HIFPTAJRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH3+])C1CCC(C(C)C)CC1 ZINC000083780873 572408031 /nfs/dbraw/zinc/40/80/31/572408031.db2.gz ZLPNLZXGEZCIGC-BPCQOVAHSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H]([NH3+])C1CCC(C(C)C)CC1 ZINC000083780875 572409872 /nfs/dbraw/zinc/40/98/72/572409872.db2.gz ZLPNLZXGEZCIGC-WXRRBKDZSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@]1(C[NH3+])CCC[C@H](CC)C1 ZINC000083782442 572408497 /nfs/dbraw/zinc/40/84/97/572408497.db2.gz DNOMBTIMKJWWEA-STQMWFEESA-N 1 0 197.366 3.722 10 0 AHAERO CCCC[C@@]1(C[NH3+])CCC[C@H](CC)C1 ZINC000083782444 572408142 /nfs/dbraw/zinc/40/81/42/572408142.db2.gz DNOMBTIMKJWWEA-QWHCGFSZSA-N 1 0 197.366 3.722 10 0 AHAERO CCCC[C@]1(C[NH3+])CCC[C@@H](CC)C1 ZINC000083782446 572408779 /nfs/dbraw/zinc/40/87/79/572408779.db2.gz DNOMBTIMKJWWEA-OLZOCXBDSA-N 1 0 197.366 3.722 10 0 AHAERO CCCC[C@@]1(C[NH3+])CCC[C@@H](CC)C1 ZINC000083782448 572408063 /nfs/dbraw/zinc/40/80/63/572408063.db2.gz DNOMBTIMKJWWEA-CHWSQXEVSA-N 1 0 197.366 3.722 10 0 AHAERO CC[C@@H]1CCC[C@](C[NH3+])(CC(C)C)C1 ZINC000083782463 572408147 /nfs/dbraw/zinc/40/81/47/572408147.db2.gz UFFALSUGPJHYCT-OLZOCXBDSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H]1CCC[C@](C[NH3+])(CC(C)C)C1 ZINC000083782467 572410420 /nfs/dbraw/zinc/41/04/20/572410420.db2.gz UFFALSUGPJHYCT-STQMWFEESA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CCC[C@@](C[NH3+])(CC(C)C)C1 ZINC000083782471 572409430 /nfs/dbraw/zinc/40/94/30/572409430.db2.gz UFFALSUGPJHYCT-CHWSQXEVSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H]1CCC[C@@](C[NH3+])(CC(C)C)C1 ZINC000083782473 572408711 /nfs/dbraw/zinc/40/87/11/572408711.db2.gz UFFALSUGPJHYCT-QWHCGFSZSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@@H]1CC[C@](C[NH3+])(CCC(C)(C)C)C1 ZINC000083782563 572409348 /nfs/dbraw/zinc/40/93/48/572409348.db2.gz WQUQVBDNYCNOQJ-YPMHNXCESA-N 1 0 197.366 3.578 10 0 AHAERO C[C@H]1CC[C@](C[NH3+])(CCC(C)(C)C)C1 ZINC000083782564 572408798 /nfs/dbraw/zinc/40/87/98/572408798.db2.gz WQUQVBDNYCNOQJ-AAEUAGOBSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@@H]1CC[C@@](C[NH3+])(CCC(C)(C)C)C1 ZINC000083782566 572409328 /nfs/dbraw/zinc/40/93/28/572409328.db2.gz WQUQVBDNYCNOQJ-DGCLKSJQSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@H]1CC[C@@](C[NH3+])(CCC(C)(C)C)C1 ZINC000083782568 572409513 /nfs/dbraw/zinc/40/95/13/572409513.db2.gz WQUQVBDNYCNOQJ-WCQYABFASA-N 1 0 197.366 3.578 10 0 AHAERO CCCCCC[C@]1(C[NH3+])CC[C@H](C)C1 ZINC000083782586 572408434 /nfs/dbraw/zinc/40/84/34/572408434.db2.gz LUTIKIMGTIFBJF-STQMWFEESA-N 1 0 197.366 3.722 10 0 AHAERO CCCCCC[C@@]1(C[NH3+])CC[C@H](C)C1 ZINC000083782588 572409263 /nfs/dbraw/zinc/40/92/63/572409263.db2.gz LUTIKIMGTIFBJF-QWHCGFSZSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCCC[C@]1(C[NH3+])CC[C@@H](C)C1 ZINC000083782590 572409823 /nfs/dbraw/zinc/40/98/23/572409823.db2.gz LUTIKIMGTIFBJF-OLZOCXBDSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCCC[C@@]1(C[NH3+])CC[C@@H](C)C1 ZINC000083782592 572408910 /nfs/dbraw/zinc/40/89/10/572408910.db2.gz LUTIKIMGTIFBJF-CHWSQXEVSA-N 1 0 197.366 3.722 10 0 AHAERO CCC[C@H](C)C[C@]1(C[NH3+])CC[C@H](C)C1 ZINC000083783042 572408407 /nfs/dbraw/zinc/40/84/07/572408407.db2.gz PXTOBOWXPQQWHS-RWMBFGLXSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@H](C)C[C@@]1(C[NH3+])CC[C@H](C)C1 ZINC000083783047 572408341 /nfs/dbraw/zinc/40/83/41/572408341.db2.gz PXTOBOWXPQQWHS-AVGNSLFASA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H]([NH3+])C1CCC(C(C)(C)C)CC1 ZINC000083786442 573632727 /nfs/dbraw/zinc/63/27/27/573632727.db2.gz AOZKWLUKIMBKGR-MCIGGMRASA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]([NH3+])C1CCC(C(C)(C)C)CC1 ZINC000083786444 573631730 /nfs/dbraw/zinc/63/17/30/573631730.db2.gz AOZKWLUKIMBKGR-HTAVTVPLSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@H]([NH3+])[C@@H]1CCC[C@H](CC)C1 ZINC000083786543 572403305 /nfs/dbraw/zinc/40/33/05/572403305.db2.gz DOYRJFAPYICWHV-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H]([NH3+])[C@H]1CCC[C@H](CC)C1 ZINC000083786547 572399258 /nfs/dbraw/zinc/39/92/58/572399258.db2.gz DOYRJFAPYICWHV-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO C[C@@H]1CC[C@H]([C@H]([NH3+])CCC(C)(C)C)C1 ZINC000083787022 572411822 /nfs/dbraw/zinc/41/18/22/572411822.db2.gz JTVRSZZAZLFBBY-GRYCIOLGSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]1CC[C@@H]([C@H]([NH3+])CCC(C)(C)C)C1 ZINC000083787027 572411835 /nfs/dbraw/zinc/41/18/35/572411835.db2.gz JTVRSZZAZLFBBY-IJLUTSLNSA-N 1 0 197.366 3.576 10 0 AHAERO CCCCCC[C@H]([NH3+])[C@@H]1CC[C@H](C)C1 ZINC000083787241 572412792 /nfs/dbraw/zinc/41/27/92/572412792.db2.gz FACIBOYKOSALFQ-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCCC[C@H]([NH3+])[C@H]1CC[C@H](C)C1 ZINC000083787248 572412155 /nfs/dbraw/zinc/41/21/55/572412155.db2.gz FACIBOYKOSALFQ-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@H]([NH3+])[C@@H]1CC[C@H](C)C1 ZINC000083787607 572413537 /nfs/dbraw/zinc/41/35/37/572413537.db2.gz UUNHTYZISMRRFI-RVMXOQNASA-N 1 0 197.366 3.576 10 0 AHAERO CCCCC[C@H]([NH2+]C)[C@@H]1CC[C@H](C)C1 ZINC000083788000 572416308 /nfs/dbraw/zinc/41/63/08/572416308.db2.gz DGVPEFFWUKTIBB-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H]([NH2+]C)[C@H]1CC[C@H](C)C1 ZINC000083788004 572415967 /nfs/dbraw/zinc/41/59/67/572415967.db2.gz DGVPEFFWUKTIBB-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]([NH2+]CC)[C@@H]1CC[C@H](C)C1 ZINC000083788558 572415975 /nfs/dbraw/zinc/41/59/75/572415975.db2.gz VQBGBDYLBJQPEY-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]([NH2+]CC)[C@H]1CC[C@H](C)C1 ZINC000083788561 572415509 /nfs/dbraw/zinc/41/55/09/572415509.db2.gz VQBGBDYLBJQPEY-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CCC)[C@@H]1CC[C@H](C)C1 ZINC000083789077 572415359 /nfs/dbraw/zinc/41/53/59/572415359.db2.gz LWORXBQKZGYWTC-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CCC)[C@H]1CC[C@H](C)C1 ZINC000083789081 572417161 /nfs/dbraw/zinc/41/71/61/572417161.db2.gz LWORXBQKZGYWTC-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@]1(C[NH3+])CC[C@H](CC)C1 ZINC000083792222 572417325 /nfs/dbraw/zinc/41/73/25/572417325.db2.gz FAQKLVXYCMLOLS-STQMWFEESA-N 1 0 197.366 3.722 10 0 AHAERO CCCCC[C@@]1(C[NH3+])CC[C@H](CC)C1 ZINC000083792224 572416713 /nfs/dbraw/zinc/41/67/13/572416713.db2.gz FAQKLVXYCMLOLS-QWHCGFSZSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCC[C@]1(C[NH3+])CC[C@@H](CC)C1 ZINC000083792226 572415268 /nfs/dbraw/zinc/41/52/68/572415268.db2.gz FAQKLVXYCMLOLS-OLZOCXBDSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCC[C@@]1(C[NH3+])CC[C@@H](CC)C1 ZINC000083792228 572417349 /nfs/dbraw/zinc/41/73/49/572417349.db2.gz FAQKLVXYCMLOLS-CHWSQXEVSA-N 1 0 197.366 3.722 10 0 AHAERO CC[C@@H]1CC[C@](C[NH3+])(CCC(C)C)C1 ZINC000083792243 572415778 /nfs/dbraw/zinc/41/57/78/572415778.db2.gz LYJGYDWSNHUSKT-CHWSQXEVSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H]1CC[C@](C[NH3+])(CCC(C)C)C1 ZINC000083792245 572414516 /nfs/dbraw/zinc/41/45/16/572414516.db2.gz LYJGYDWSNHUSKT-QWHCGFSZSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CC[C@@](C[NH3+])(CCC(C)C)C1 ZINC000083792247 572415507 /nfs/dbraw/zinc/41/55/07/572415507.db2.gz LYJGYDWSNHUSKT-OLZOCXBDSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H]1CC[C@@](C[NH3+])(CCC(C)C)C1 ZINC000083792249 572414407 /nfs/dbraw/zinc/41/44/07/572414407.db2.gz LYJGYDWSNHUSKT-STQMWFEESA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H](C)C[C@@]1(C[NH3+])CC[C@@H](CC)C1 ZINC000083792354 572416948 /nfs/dbraw/zinc/41/69/48/572416948.db2.gz DQJCVLDMTYEHJC-XQQFMLRXSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H](C)C[C@@]1(C[NH3+])CC[C@H](CC)C1 ZINC000083792356 572415877 /nfs/dbraw/zinc/41/58/77/572415877.db2.gz DQJCVLDMTYEHJC-AVGNSLFASA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H](C)C[C@]1(C[NH3+])CC[C@@H](CC)C1 ZINC000083792357 572416361 /nfs/dbraw/zinc/41/63/61/572416361.db2.gz DQJCVLDMTYEHJC-YNEHKIRRSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H](C)C[C@]1(C[NH3+])CC[C@H](CC)C1 ZINC000083792359 572416582 /nfs/dbraw/zinc/41/65/82/572416582.db2.gz DQJCVLDMTYEHJC-RWMBFGLXSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCC[C@H]([NH3+])[C@@H]1CC[C@H](CC)C1 ZINC000083800356 572416594 /nfs/dbraw/zinc/41/65/94/572416594.db2.gz CFEIKVVWMMPDSM-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@H]([NH3+])[C@H]1CC[C@H](CC)C1 ZINC000083800360 572415377 /nfs/dbraw/zinc/41/53/77/572415377.db2.gz CFEIKVVWMMPDSM-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]1CC[C@H]([C@H]([NH3+])CCC(C)C)C1 ZINC000083800401 572417084 /nfs/dbraw/zinc/41/70/84/572417084.db2.gz WDMCJVCYOXSAMZ-FRRDWIJNSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CC[C@@H]([C@H]([NH3+])CCC(C)C)C1 ZINC000083800404 572415610 /nfs/dbraw/zinc/41/56/10/572415610.db2.gz WDMCJVCYOXSAMZ-JHJVBQTASA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@H]([NH2+]C)[C@@H]1CC[C@H](CC)C1 ZINC000083800870 573637653 /nfs/dbraw/zinc/63/76/53/573637653.db2.gz HDQSRPSFOABGTA-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]([NH2+]C)[C@H]1CC[C@H](CC)C1 ZINC000083800874 572415780 /nfs/dbraw/zinc/41/57/80/572415780.db2.gz HDQSRPSFOABGTA-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+]CC)[C@@H]1CC[C@H](CC)C1 ZINC000083801335 572417011 /nfs/dbraw/zinc/41/70/11/572417011.db2.gz NYGMJCAJESQCQO-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+]CC)[C@H]1CC[C@H](CC)C1 ZINC000083801338 572414616 /nfs/dbraw/zinc/41/46/16/572414616.db2.gz NYGMJCAJESQCQO-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC)[C@@H]1CC[C@H](CC)C1 ZINC000083801360 572414678 /nfs/dbraw/zinc/41/46/78/572414678.db2.gz WJIPEDZIARHFLK-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC)[C@H]1CC[C@H](CC)C1 ZINC000083801364 572417057 /nfs/dbraw/zinc/41/70/57/572417057.db2.gz WJIPEDZIARHFLK-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](CC)C[C@H]([NH3+])[C@@H]1C[C@@H]1C ZINC000083808287 572409288 /nfs/dbraw/zinc/40/92/88/572409288.db2.gz XPWQYYUUPWRWMT-RVMXOQNASA-N 1 0 197.366 3.576 10 0 AHAERO CCCCCC[C@H]([NH2+]CC)[C@@H]1C[C@@H]1C ZINC000083809149 572412107 /nfs/dbraw/zinc/41/21/07/572412107.db2.gz AVELIAKKVJEDPC-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@H]([NH2+]CC)[C@H]1C[C@@H]1C ZINC000083809151 572413567 /nfs/dbraw/zinc/41/35/67/572413567.db2.gz AVELIAKKVJEDPC-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H]([NH2+]CCC)[C@@H]1C[C@@H]1C ZINC000083809441 572411691 /nfs/dbraw/zinc/41/16/91/572411691.db2.gz MHLGEMABDCRAFS-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H]([NH2+]CCC)[C@H]1C[C@@H]1C ZINC000083809443 572412514 /nfs/dbraw/zinc/41/25/14/572412514.db2.gz MHLGEMABDCRAFS-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC/C=C/CC[NH2+]C(C)(C)C ZINC000083824020 572429553 /nfs/dbraw/zinc/42/95/53/572429553.db2.gz AZSHKTJPIBWQDV-CMDGGOBGSA-N 1 0 183.339 3.511 10 0 AHAERO CCC[NH2+][C@H](CC(C)C)CC1CCC1 ZINC000083841114 572418687 /nfs/dbraw/zinc/41/86/87/572418687.db2.gz PBZZBWDUNANSFK-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC(C)C)CC1CCC1 ZINC000083841115 572419338 /nfs/dbraw/zinc/41/93/38/572419338.db2.gz PBZZBWDUNANSFK-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC1CCC1)C(C)(C)C ZINC000083841178 572418708 /nfs/dbraw/zinc/41/87/08/572418708.db2.gz IKILUFRTDIYQHY-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC1CCC1)C(C)(C)C ZINC000083841179 572418906 /nfs/dbraw/zinc/41/89/06/572418906.db2.gz IKILUFRTDIYQHY-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CCC(C)C)CC1CCC1 ZINC000083841252 572420298 /nfs/dbraw/zinc/42/02/98/572420298.db2.gz MXQLGRZROWQLOO-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC(C)C)CC1CCC1 ZINC000083841253 572418218 /nfs/dbraw/zinc/41/82/18/572418218.db2.gz MXQLGRZROWQLOO-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC1CCC1)[C@@H](C)CC ZINC000083841444 572418408 /nfs/dbraw/zinc/41/84/08/572418408.db2.gz CNMMRXKCRXNGJX-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC1CCC1)[C@@H](C)CC ZINC000083841445 572420048 /nfs/dbraw/zinc/42/00/48/572420048.db2.gz CNMMRXKCRXNGJX-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC1CCC1)[C@H](C)CC ZINC000083841446 572420553 /nfs/dbraw/zinc/42/05/53/572420553.db2.gz CNMMRXKCRXNGJX-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC1CCC1)[C@H](C)CC ZINC000083841447 572419657 /nfs/dbraw/zinc/41/96/57/572419657.db2.gz CNMMRXKCRXNGJX-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC1CCC1)CC(C)(C)C ZINC000083841458 572419904 /nfs/dbraw/zinc/41/99/04/572419904.db2.gz VMPNXNWVAWBUKE-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC1CCC1)CC(C)(C)C ZINC000083841459 572419766 /nfs/dbraw/zinc/41/97/66/572419766.db2.gz VMPNXNWVAWBUKE-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000083863424 572448047 /nfs/dbraw/zinc/44/80/47/572448047.db2.gz AJTHYLRZTDXAQJ-RWMBFGLXSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000083863426 572449274 /nfs/dbraw/zinc/44/92/74/572449274.db2.gz AJTHYLRZTDXAQJ-AVGNSLFASA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](CC)C(C)C ZINC000083863448 572446879 /nfs/dbraw/zinc/44/68/79/572446879.db2.gz HHTAHTUBXHEUBS-XQQFMLRXSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H](C)C[C@H](C)[NH2+][C@@H](CC)C(C)C ZINC000083863450 572448062 /nfs/dbraw/zinc/44/80/62/572448062.db2.gz HHTAHTUBXHEUBS-AVGNSLFASA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000083863604 572449539 /nfs/dbraw/zinc/44/95/39/572449539.db2.gz LCMULXNLCRBHEJ-TUAOUCFPSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000083863606 572446887 /nfs/dbraw/zinc/44/68/87/572446887.db2.gz LCMULXNLCRBHEJ-SRVKXCTJSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC000083863631 572448527 /nfs/dbraw/zinc/44/85/27/572448527.db2.gz MDFVXWHDBKTJGM-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC000083863632 572447571 /nfs/dbraw/zinc/44/75/71/572447571.db2.gz MDFVXWHDBKTJGM-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC000083863633 572449469 /nfs/dbraw/zinc/44/94/69/572449469.db2.gz MDFVXWHDBKTJGM-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC000083863634 572446852 /nfs/dbraw/zinc/44/68/52/572446852.db2.gz MDFVXWHDBKTJGM-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)CC ZINC000083863728 572449278 /nfs/dbraw/zinc/44/92/78/572449278.db2.gz NOPPNVRLYUKHGK-AVGNSLFASA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H](C)[NH2+][C@H](C)C[C@@H](C)CC ZINC000083863730 572449532 /nfs/dbraw/zinc/44/95/32/572449532.db2.gz NOPPNVRLYUKHGK-RWMBFGLXSA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)CC ZINC000083863832 572448716 /nfs/dbraw/zinc/44/87/16/572448716.db2.gz UPBLKTCVPXYIMJ-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[NH2+][C@H](C)C[C@@H](C)CC ZINC000083863834 572448800 /nfs/dbraw/zinc/44/88/00/572448800.db2.gz UPBLKTCVPXYIMJ-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000083863838 572449191 /nfs/dbraw/zinc/44/91/91/572449191.db2.gz ZWNAICUHJLJMFV-CYDGBPFRSA-N 1 0 199.382 3.835 10 0 AHAERO CCCCCC[NH2+][C@@H](C)C[C@@H](C)CC ZINC000083863843 572448524 /nfs/dbraw/zinc/44/85/24/572448524.db2.gz ZEAWEISFWYUPFF-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[NH2+][C@H](C)C[C@@H](C)CC ZINC000083863844 572446920 /nfs/dbraw/zinc/44/69/20/572446920.db2.gz ZEAWEISFWYUPFF-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[NH2+][C@@H](C)C[C@H](C)CC ZINC000083863845 572448154 /nfs/dbraw/zinc/44/81/54/572448154.db2.gz ZEAWEISFWYUPFF-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[NH2+][C@H](C)C[C@H](C)CC ZINC000083863846 572447496 /nfs/dbraw/zinc/44/74/96/572447496.db2.gz ZEAWEISFWYUPFF-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCC(CC)C[NH2+][C@H](C)C[C@H](C)CC ZINC000083864093 572446781 /nfs/dbraw/zinc/44/67/81/572446781.db2.gz WWZFJSSKRALVMF-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C[NH2+][C@H](C)C[C@@H](C)CC ZINC000083864095 572448056 /nfs/dbraw/zinc/44/80/56/572448056.db2.gz WWZFJSSKRALVMF-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C[NH2+][C@@H](C)C[C@H](C)CC ZINC000083864096 572449103 /nfs/dbraw/zinc/44/91/03/572449103.db2.gz WWZFJSSKRALVMF-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)CC ZINC000083864097 572447436 /nfs/dbraw/zinc/44/74/36/572447436.db2.gz WWZFJSSKRALVMF-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[NH2+][C@@H](C)C[C@@H](C)CC ZINC000083864187 572447227 /nfs/dbraw/zinc/44/72/27/572447227.db2.gz LNBMUCASNZJGEE-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[NH2+][C@H](C)C[C@@H](C)CC ZINC000083864188 572447511 /nfs/dbraw/zinc/44/75/11/572447511.db2.gz LNBMUCASNZJGEE-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[NH2+][C@@H](C)C[C@H](C)CC ZINC000083864189 572448520 /nfs/dbraw/zinc/44/85/20/572448520.db2.gz LNBMUCASNZJGEE-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[NH2+][C@H](C)C[C@H](C)CC ZINC000083864191 572447616 /nfs/dbraw/zinc/44/76/16/572447616.db2.gz LNBMUCASNZJGEE-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CC[C@@H](C)C[C@@H](C)[NH2+]CCC(C)(C)C ZINC000083864250 572447263 /nfs/dbraw/zinc/44/72/63/572447263.db2.gz MABAFPNIYOMUDA-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)C[C@@H](C)[NH2+]CCC(C)(C)C ZINC000083864253 572448207 /nfs/dbraw/zinc/44/82/07/572448207.db2.gz MABAFPNIYOMUDA-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)C[C@H](C)[NH2+]CCC(C)(C)C ZINC000083864254 572446991 /nfs/dbraw/zinc/44/69/91/572446991.db2.gz MABAFPNIYOMUDA-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)C[C@H](C)[NH2+]CCC(C)(C)C ZINC000083864256 572447700 /nfs/dbraw/zinc/44/77/00/572447700.db2.gz MABAFPNIYOMUDA-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](CC)C[NH2+]CCC1CC1 ZINC000083894774 572443319 /nfs/dbraw/zinc/44/33/19/572443319.db2.gz GAMXFCDOFUAGGI-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H](CC)C[NH2+]CCC1CC1 ZINC000083894775 572443275 /nfs/dbraw/zinc/44/32/75/572443275.db2.gz GAMXFCDOFUAGGI-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+][C@@H](CCC1CC1)CC(C)C ZINC000083937546 572452055 /nfs/dbraw/zinc/45/20/55/572452055.db2.gz WLFXQHGUVIPIBX-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CCC1CC1)CC(C)C ZINC000083937551 572453178 /nfs/dbraw/zinc/45/31/78/572453178.db2.gz WLFXQHGUVIPIBX-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC(C)C)CCC1CC1 ZINC000083937864 572452659 /nfs/dbraw/zinc/45/26/59/572452659.db2.gz DNBMAGNRBOAZQW-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CCC(C)C)CCC1CC1 ZINC000083937871 572451972 /nfs/dbraw/zinc/45/19/72/572451972.db2.gz DNBMAGNRBOAZQW-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CCC1CC1)[C@@H](C)CC ZINC000083938454 572451876 /nfs/dbraw/zinc/45/18/76/572451876.db2.gz XLLXFWXZPJKJOS-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CCC1CC1)[C@@H](C)CC ZINC000083938457 572453690 /nfs/dbraw/zinc/45/36/90/572453690.db2.gz XLLXFWXZPJKJOS-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CCC1CC1)[C@H](C)CC ZINC000083938459 572452311 /nfs/dbraw/zinc/45/23/11/572452311.db2.gz XLLXFWXZPJKJOS-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CCC1CC1)[C@H](C)CC ZINC000083938461 572453232 /nfs/dbraw/zinc/45/32/32/572453232.db2.gz XLLXFWXZPJKJOS-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CCC1CC1)CC(C)(C)C ZINC000083938497 572450364 /nfs/dbraw/zinc/45/03/64/572450364.db2.gz OWAZNUQYBBPVLD-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC1CC1)CC(C)(C)C ZINC000083938503 572452265 /nfs/dbraw/zinc/45/22/65/572452265.db2.gz OWAZNUQYBBPVLD-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[NH2+][C@H]1CCCCC[C@H]1C ZINC000083948369 572463728 /nfs/dbraw/zinc/46/37/28/572463728.db2.gz IWSMGQWLRPXLHT-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000083948371 572465387 /nfs/dbraw/zinc/46/53/87/572465387.db2.gz IWSMGQWLRPXLHT-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000083948374 572464745 /nfs/dbraw/zinc/46/47/45/572464745.db2.gz IWSMGQWLRPXLHT-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000083948377 572463466 /nfs/dbraw/zinc/46/34/66/572463466.db2.gz IWSMGQWLRPXLHT-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000083948674 572464511 /nfs/dbraw/zinc/46/45/11/572464511.db2.gz YVFKAZOIBGJSSH-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[NH2+][C@H]1CCCCC[C@@H]1C ZINC000083948676 572463058 /nfs/dbraw/zinc/46/30/58/572463058.db2.gz YVFKAZOIBGJSSH-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CCCCC[C@@H]1[NH2+]CC(C)(C)C ZINC000083948705 573708208 /nfs/dbraw/zinc/70/82/08/573708208.db2.gz DRGKBHLMZXGUMZ-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CCCCC[C@@H]1[NH2+]CC(C)(C)C ZINC000083948706 573708310 /nfs/dbraw/zinc/70/83/10/573708310.db2.gz DRGKBHLMZXGUMZ-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CCCCC[C@H]1[NH2+]CC(C)(C)C ZINC000083948707 573710104 /nfs/dbraw/zinc/71/01/04/573710104.db2.gz DRGKBHLMZXGUMZ-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CCCCC[C@H]1[NH2+]CC(C)(C)C ZINC000083948708 573711736 /nfs/dbraw/zinc/71/17/36/573711736.db2.gz DRGKBHLMZXGUMZ-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000083948809 572465368 /nfs/dbraw/zinc/46/53/68/572465368.db2.gz XJKPQSQMHZNCOE-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000083948810 572463990 /nfs/dbraw/zinc/46/39/90/572463990.db2.gz XJKPQSQMHZNCOE-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000083948811 572464023 /nfs/dbraw/zinc/46/40/23/572464023.db2.gz XJKPQSQMHZNCOE-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[NH2+][C@H]1CCCCC[C@H]1C ZINC000083948812 572464323 /nfs/dbraw/zinc/46/43/23/572464323.db2.gz XJKPQSQMHZNCOE-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)[NH2+]CC1(C(C)C)CCCCC1 ZINC000083983576 572476966 /nfs/dbraw/zinc/47/69/66/572476966.db2.gz NPDUSJBFPYBBDW-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@](C)(C[NH2+]C)C1CCCCC1 ZINC000083983585 573733410 /nfs/dbraw/zinc/73/34/10/573733410.db2.gz NZIXQCBNBXYGCP-ZDUSSCGKSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@](C)(C[NH2+]C)C1CCCCC1 ZINC000083983586 572477533 /nfs/dbraw/zinc/47/75/33/572477533.db2.gz NZIXQCBNBXYGCP-CYBMUJFWSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@@H](C)CC[C@@H](C)C[NH2+]C(C)C ZINC000084128814 572505426 /nfs/dbraw/zinc/50/54/26/572505426.db2.gz LJKJDGWEQOFZKD-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)CC[C@@H](C)C[NH2+]C(C)C ZINC000084128815 572504491 /nfs/dbraw/zinc/50/44/91/572504491.db2.gz LJKJDGWEQOFZKD-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)CC[C@H](C)C[NH2+]C(C)C ZINC000084128817 572502039 /nfs/dbraw/zinc/50/20/39/572502039.db2.gz LJKJDGWEQOFZKD-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H]1CCC[C@H](C[NH2+]CC)CC1 ZINC000084325452 572533938 /nfs/dbraw/zinc/53/39/38/572533938.db2.gz VKIXWFHGWMAXIQ-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@H]1CCC[C@H](C[NH2+]CC)CC1 ZINC000084325457 572532705 /nfs/dbraw/zinc/53/27/05/572532705.db2.gz VKIXWFHGWMAXIQ-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@@H]1CCC[C@@H](C[NH2+]CC)CC1 ZINC000084325459 572533714 /nfs/dbraw/zinc/53/37/14/572533714.db2.gz VKIXWFHGWMAXIQ-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@H]1CCC[C@@H](C[NH2+]CC)CC1 ZINC000084325461 572531949 /nfs/dbraw/zinc/53/19/49/572531949.db2.gz VKIXWFHGWMAXIQ-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@@H]1CCCC(C)(C)CC1 ZINC000084326001 572532426 /nfs/dbraw/zinc/53/24/26/572532426.db2.gz NVSQFLFFGCXWFV-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@H]1CCCC(C)(C)CC1 ZINC000084326003 572533740 /nfs/dbraw/zinc/53/37/40/572533740.db2.gz NVSQFLFFGCXWFV-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@@H]1CCC[C@H](CC)CC1 ZINC000084326179 572533170 /nfs/dbraw/zinc/53/31/70/572533170.db2.gz OOXWTZVICNCQFP-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@H]1CCC[C@H](CC)CC1 ZINC000084326182 572531736 /nfs/dbraw/zinc/53/17/36/572531736.db2.gz OOXWTZVICNCQFP-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@@H]1CCC[C@@H](CC)CC1 ZINC000084326186 572533354 /nfs/dbraw/zinc/53/33/54/572533354.db2.gz OOXWTZVICNCQFP-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@H]1CCC[C@@H](CC)CC1 ZINC000084326189 572533395 /nfs/dbraw/zinc/53/33/95/572533395.db2.gz OOXWTZVICNCQFP-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)[NH2+]C[C@@H]1CCCC(C)(C)CC1 ZINC000084326431 573823938 /nfs/dbraw/zinc/82/39/38/573823938.db2.gz NMTHKWZPHNTWAE-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[NH2+]C[C@H]1CCCC(C)(C)CC1 ZINC000084326433 573825002 /nfs/dbraw/zinc/82/50/02/573825002.db2.gz NMTHKWZPHNTWAE-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CCC[C@H](C[NH2+]C(C)C)CC1 ZINC000084326572 572533158 /nfs/dbraw/zinc/53/31/58/572533158.db2.gz AMONGNFDXKNVJI-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCC[C@H](C[NH2+]C(C)C)CC1 ZINC000084326573 572534121 /nfs/dbraw/zinc/53/41/21/572534121.db2.gz AMONGNFDXKNVJI-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CCC[C@@H](C[NH2+]C(C)C)CC1 ZINC000084326575 572531785 /nfs/dbraw/zinc/53/17/85/572531785.db2.gz AMONGNFDXKNVJI-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCC[C@@H](C[NH2+]C(C)C)CC1 ZINC000084326577 572532459 /nfs/dbraw/zinc/53/24/59/572532459.db2.gz AMONGNFDXKNVJI-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC1CCC(C[NH2+]C(C)C)CC1 ZINC000084326679 572533571 /nfs/dbraw/zinc/53/35/71/572533571.db2.gz NFNOTFJUBAIYTB-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CCC[C@H](C[NH2+]C(C)(C)C)CC1 ZINC000084327173 573832311 /nfs/dbraw/zinc/83/23/11/573832311.db2.gz KBYRRTCQYFCCLZ-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CCC[C@H](C[NH2+]C(C)(C)C)CC1 ZINC000084327175 573832177 /nfs/dbraw/zinc/83/21/77/573832177.db2.gz KBYRRTCQYFCCLZ-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CCC[C@@H](C[NH2+]C(C)(C)C)CC1 ZINC000084327178 573830850 /nfs/dbraw/zinc/83/08/50/573830850.db2.gz KBYRRTCQYFCCLZ-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CCC[C@@H](C[NH2+]C(C)(C)C)CC1 ZINC000084327179 573829543 /nfs/dbraw/zinc/82/95/43/573829543.db2.gz KBYRRTCQYFCCLZ-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)[NH2+]CC1CCC(C)(C)CC1 ZINC000084327418 573831501 /nfs/dbraw/zinc/83/15/01/573831501.db2.gz DZSNABRHQPZRST-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000084327424 573830503 /nfs/dbraw/zinc/83/05/03/573830503.db2.gz CQHTXGQNQQKIGT-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000084327426 573829550 /nfs/dbraw/zinc/82/95/50/573829550.db2.gz CQHTXGQNQQKIGT-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+]CC1CCCCCC1 ZINC000084328120 573829567 /nfs/dbraw/zinc/82/95/67/573829567.db2.gz OYSCNJWUGLENEF-UHFFFAOYSA-N 1 0 197.366 3.737 10 0 AHAERO CCC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC000084328122 572536726 /nfs/dbraw/zinc/53/67/26/572536726.db2.gz WFOLRXPGCXCICR-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](C)[NH2+]CC1CCCCCC1 ZINC000084328125 572535487 /nfs/dbraw/zinc/53/54/87/572535487.db2.gz WFOLRXPGCXCICR-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)CC[NH2+]CC1CCCCCC1 ZINC000084328130 572535631 /nfs/dbraw/zinc/53/56/31/572535631.db2.gz DLMPDHYMUMXWHT-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)C[C@H]([NH3+])CC1CCCCCC1 ZINC000084328159 572535560 /nfs/dbraw/zinc/53/55/60/572535560.db2.gz AULLZEMNSUSXTC-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)C[C@@H]([NH3+])CC1CCCCCC1 ZINC000084328162 572535626 /nfs/dbraw/zinc/53/56/26/572535626.db2.gz AULLZEMNSUSXTC-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CC[NH2+]CCCCC1CCCCCC1 ZINC000084328977 572536984 /nfs/dbraw/zinc/53/69/84/572536984.db2.gz OOOZXZKSMTYSEN-UHFFFAOYSA-N 1 0 197.366 3.737 10 0 AHAERO CC(C)C[NH2+]CCC1CCCCCC1 ZINC000084329077 572536742 /nfs/dbraw/zinc/53/67/42/572536742.db2.gz UMPBPUIUFBZEGR-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)(C)C[NH2+]CC1CCCCCC1 ZINC000084329161 572536949 /nfs/dbraw/zinc/53/69/49/572536949.db2.gz KPUZDEZJNFIIEJ-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC000084329359 572536860 /nfs/dbraw/zinc/53/68/60/572536860.db2.gz AMFSKBPRQKWGKY-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC000084329361 572536857 /nfs/dbraw/zinc/53/68/57/572536857.db2.gz AMFSKBPRQKWGKY-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC(C)(C)[NH2+]CC1CCC(C)CC1 ZINC000084330815 491026400 /nfs/dbraw/zinc/02/64/00/491026400.db2.gz GVKIEXGVJNAFPM-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[C@@H]([NH3+])CC1CCC(C)CC1 ZINC000084330900 573836381 /nfs/dbraw/zinc/83/63/81/573836381.db2.gz HTVLXDDJUAHHRQ-WXRRBKDZSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@H]([NH3+])CC1CCC(C)CC1 ZINC000084330902 572534750 /nfs/dbraw/zinc/53/47/50/572534750.db2.gz HTVLXDDJUAHHRQ-BPCQOVAHSA-N 1 0 197.366 3.576 10 0 AHAERO CC[NH2+]CCCCC1CCC(C)CC1 ZINC000084339476 572540048 /nfs/dbraw/zinc/54/00/48/572540048.db2.gz UGAKEPGXGICWPR-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC(CC)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000084340375 572538143 /nfs/dbraw/zinc/53/81/43/572538143.db2.gz FQOAYIKUBXQDPB-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000084340377 572537459 /nfs/dbraw/zinc/53/74/59/572537459.db2.gz FQOAYIKUBXQDPB-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000084340378 572539173 /nfs/dbraw/zinc/53/91/73/572539173.db2.gz FQOAYIKUBXQDPB-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000084340380 572539106 /nfs/dbraw/zinc/53/91/06/572539106.db2.gz FQOAYIKUBXQDPB-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000084340405 572537832 /nfs/dbraw/zinc/53/78/32/572537832.db2.gz NFUZBSZPXMMSDZ-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000084340407 572537616 /nfs/dbraw/zinc/53/76/16/572537616.db2.gz NFUZBSZPXMMSDZ-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000084340409 572538505 /nfs/dbraw/zinc/53/85/05/572538505.db2.gz NFUZBSZPXMMSDZ-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000084340410 572539999 /nfs/dbraw/zinc/53/99/99/572539999.db2.gz NFUZBSZPXMMSDZ-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@H](C)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000084340414 572539829 /nfs/dbraw/zinc/53/98/29/572539829.db2.gz OFUFDBCDGTYVNR-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000084340418 572538428 /nfs/dbraw/zinc/53/84/28/572538428.db2.gz OFUFDBCDGTYVNR-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+]CCCC[C@@H]1CCC[C@H](C)C1 ZINC000084343439 572540156 /nfs/dbraw/zinc/54/01/56/572540156.db2.gz KIJPBTRABCYOJX-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CCCC[C@H]1CCC[C@H](C)C1 ZINC000084343441 572537900 /nfs/dbraw/zinc/53/79/00/572537900.db2.gz KIJPBTRABCYOJX-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CCCC[C@@H]1CCC[C@@H](C)C1 ZINC000084343443 572538184 /nfs/dbraw/zinc/53/81/84/572538184.db2.gz KIJPBTRABCYOJX-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CCCC[C@H]1CCC[C@@H](C)C1 ZINC000084343446 572538938 /nfs/dbraw/zinc/53/89/38/572538938.db2.gz KIJPBTRABCYOJX-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+][C@@H](C)CCC1CCCCCC1 ZINC000084350269 572540573 /nfs/dbraw/zinc/54/05/73/572540573.db2.gz LTBXQKIKORQENK-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@H](C)CCC1CCCCCC1 ZINC000084350273 572541370 /nfs/dbraw/zinc/54/13/70/572541370.db2.gz LTBXQKIKORQENK-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H](C)CCC(CC)CC ZINC000084350414 572540646 /nfs/dbraw/zinc/54/06/46/572540646.db2.gz LOBVZJYTMUBFLS-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@H](C)CCC(CC)CC ZINC000084350419 572541144 /nfs/dbraw/zinc/54/11/44/572541144.db2.gz LOBVZJYTMUBFLS-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@@H](C)C[C@@H](C)[NH2+]CC ZINC000084399450 572538548 /nfs/dbraw/zinc/53/85/48/572538548.db2.gz SKLOPQQNLZQAAU-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@H](C)C[C@@H](C)[NH2+]CC ZINC000084399452 572540056 /nfs/dbraw/zinc/54/00/56/572540056.db2.gz SKLOPQQNLZQAAU-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@@H](C)C[C@H](C)[NH2+]CC ZINC000084399454 572538340 /nfs/dbraw/zinc/53/83/40/572538340.db2.gz SKLOPQQNLZQAAU-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@H](C)C[C@H](C)[NH2+]CC ZINC000084399456 572539049 /nfs/dbraw/zinc/53/90/49/572539049.db2.gz SKLOPQQNLZQAAU-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@@]1([NH3+])CCC[C@H](C)C1 ZINC000084676062 572562780 /nfs/dbraw/zinc/56/27/80/572562780.db2.gz QCWZMDUSVBTSCB-QWHCGFSZSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@]1([NH3+])CCC[C@@H](C)C1 ZINC000084676064 572561889 /nfs/dbraw/zinc/56/18/89/572561889.db2.gz QCWZMDUSVBTSCB-OLZOCXBDSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@@]1([NH3+])CCC[C@@H](C)C1 ZINC000084676067 572561200 /nfs/dbraw/zinc/56/12/00/572561200.db2.gz QCWZMDUSVBTSCB-CHWSQXEVSA-N 1 0 197.366 3.864 10 0 AHAERO CCCC[C@H](C)[C@H](CC)[NH2+]CCC ZINC000084683331 572569065 /nfs/dbraw/zinc/56/90/65/572569065.db2.gz WJRHEEKVGZMNFX-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@H]([NH2+]C)[C@@H](C)CC ZINC000084717625 572572019 /nfs/dbraw/zinc/57/20/19/572572019.db2.gz GHFOHUUBDKPDSZ-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@@H]([NH2+]C)[C@@H](C)CC ZINC000084717627 572573184 /nfs/dbraw/zinc/57/31/84/572573184.db2.gz GHFOHUUBDKPDSZ-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@H]([NH2+]C)[C@H](C)CC ZINC000084717629 572571422 /nfs/dbraw/zinc/57/14/22/572571422.db2.gz GHFOHUUBDKPDSZ-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@@H]([NH2+]C)[C@H](C)CC ZINC000084717631 572571554 /nfs/dbraw/zinc/57/15/54/572571554.db2.gz GHFOHUUBDKPDSZ-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@@H]([NH2+]CCC)[C@H](C)CC ZINC000084717651 572572114 /nfs/dbraw/zinc/57/21/14/572572114.db2.gz MOPKPKNXYHUURC-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000084837121 571678924 /nfs/dbraw/zinc/67/89/24/571678924.db2.gz FYYZWFNAUHHQHA-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C ZINC000084837122 571676759 /nfs/dbraw/zinc/67/67/59/571676759.db2.gz FYYZWFNAUHHQHA-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000084837123 571678649 /nfs/dbraw/zinc/67/86/49/571678649.db2.gz FYYZWFNAUHHQHA-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+][C@H]1C[C@@H](C)CC[C@@H]1C ZINC000084837124 571677702 /nfs/dbraw/zinc/67/77/02/571677702.db2.gz FYYZWFNAUHHQHA-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000084837126 571678837 /nfs/dbraw/zinc/67/88/37/571678837.db2.gz JNSZEWTYMHCJEH-MROQNXINSA-N 1 0 197.366 3.589 10 0 AHAERO CCCCC[C@@H]1CC[C@H]([NH2+]CC)[C@@H]1C ZINC000084876496 571809715 /nfs/dbraw/zinc/80/97/15/571809715.db2.gz HHPCIFIWBXAZTL-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H]1CC[C@H]([NH2+]CC)[C@@H]1C ZINC000084876497 571809439 /nfs/dbraw/zinc/80/94/39/571809439.db2.gz HHPCIFIWBXAZTL-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@H]1CC[C@@H]([NH2+]CC)[C@@H]1C ZINC000084876499 571809312 /nfs/dbraw/zinc/80/93/12/571809312.db2.gz HHPCIFIWBXAZTL-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H]1CC[C@@H]([NH2+]CC)[C@@H]1C ZINC000084876501 571809652 /nfs/dbraw/zinc/80/96/52/571809652.db2.gz HHPCIFIWBXAZTL-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@@H]1C ZINC000084876809 571807386 /nfs/dbraw/zinc/80/73/86/571807386.db2.gz JRSPGMKWXHGOND-ZDEQEGDKSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@@]([NH3+])(CC)C[C@@H](C)CC ZINC000084892564 571842119 /nfs/dbraw/zinc/84/21/19/571842119.db2.gz OORLHLFPSZHOSQ-RYUDHWBXSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@]([NH3+])(CC)C[C@@H](C)CC ZINC000084892565 571841957 /nfs/dbraw/zinc/84/19/57/571841957.db2.gz OORLHLFPSZHOSQ-NWDGAFQWSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@@]([NH3+])(CC)C[C@H](C)CC ZINC000084892568 571841162 /nfs/dbraw/zinc/84/11/62/571841162.db2.gz OORLHLFPSZHOSQ-NEPJUHHUSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@]([NH3+])(CC)C[C@H](C)CC ZINC000084892569 571841052 /nfs/dbraw/zinc/84/10/52/571841052.db2.gz OORLHLFPSZHOSQ-VXGBXAGGSA-N 1 0 185.355 3.720 10 0 AHAERO CCC(CC)(CC)[NH2+][C@@H](C)C1(C)CC1 ZINC000084901645 571843024 /nfs/dbraw/zinc/84/30/24/571843024.db2.gz QPRQJZXPICJCFG-NSHDSACASA-N 1 0 197.366 3.733 10 0 AHAERO CCC(CC)(CC)[NH2+][C@H](C)C1(C)CC1 ZINC000084901647 571843280 /nfs/dbraw/zinc/84/32/80/571843280.db2.gz QPRQJZXPICJCFG-LLVKDONJSA-N 1 0 197.366 3.733 10 0 AHAERO CCC(CC)C[NH2+]C(CC)(CC)CC ZINC000084901654 571843372 /nfs/dbraw/zinc/84/33/72/571843372.db2.gz IXNCDAJVCZKVGQ-UHFFFAOYSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)CC1(C[NH2+]C)CC1 ZINC000085034122 572621692 /nfs/dbraw/zinc/62/16/92/572621692.db2.gz KVUYPYJSNSGTRA-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H](CC)CC1(C[NH2+]C)CC1 ZINC000085034123 572620603 /nfs/dbraw/zinc/62/06/03/572620603.db2.gz KVUYPYJSNSGTRA-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC1(C[C@H](C)CCC)CC1 ZINC000085034878 572624632 /nfs/dbraw/zinc/62/46/32/572624632.db2.gz XRJBHEANHYQHHZ-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC1(C[C@@H](C)CCC)CC1 ZINC000085034883 572623745 /nfs/dbraw/zinc/62/37/45/572623745.db2.gz XRJBHEANHYQHHZ-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCCC1(C[NH2+]CCC)CC1 ZINC000085034908 572622999 /nfs/dbraw/zinc/62/29/99/572622999.db2.gz BUCDRLWMOMNCKO-UHFFFAOYSA-N 1 0 197.366 3.737 10 0 AHAERO CCC[NH2+]CC1(CCC(C)(C)C)CC1 ZINC000085034914 572625385 /nfs/dbraw/zinc/62/53/85/572625385.db2.gz SASZMVHDLGDBSQ-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@H](C)CC1(C[NH2+]C(C)C)CC1 ZINC000085035095 572625974 /nfs/dbraw/zinc/62/59/74/572625974.db2.gz YUYCNZVYKWUQEW-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCCC1(C[NH2+]C(C)C)CC1 ZINC000085035117 572625131 /nfs/dbraw/zinc/62/51/31/572625131.db2.gz AXIPCDPMGSKCIA-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)[NH2+]CC1(CCC(C)(C)C)CC1 ZINC000085035122 572623244 /nfs/dbraw/zinc/62/32/44/572623244.db2.gz ZZDMPCISTYFCGD-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)CC1(C[NH2+]C(C)(C)C)CC1 ZINC000085035447 572622758 /nfs/dbraw/zinc/62/27/58/572622758.db2.gz OMOWATPCXLWGOG-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)CC1(C[NH2+]C(C)(C)C)CC1 ZINC000085035450 572624577 /nfs/dbraw/zinc/62/45/77/572624577.db2.gz OMOWATPCXLWGOG-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CCC1(C[NH2+]C(C)(C)C)CC1 ZINC000085035483 572624828 /nfs/dbraw/zinc/62/48/28/572624828.db2.gz CRTJPXRFYHCHJF-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC1(C[NH2+]C(C)(C)C)CC1 ZINC000085035523 572623921 /nfs/dbraw/zinc/62/39/21/572623921.db2.gz IPTCOXNBYALXSY-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC1(C[NH2+]CC(C)C)CC1 ZINC000085035644 572625020 /nfs/dbraw/zinc/62/50/20/572625020.db2.gz BOPTZUCAGVFJFW-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC(C)(C)C1CCC([C@@H](C)[NH3+])CC1 ZINC000085659050 573103526 /nfs/dbraw/zinc/10/35/26/573103526.db2.gz XHDSZCBIUGFLME-VOMCLLRMSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(C)(C)C1CCC([C@H](C)[NH3+])CC1 ZINC000085659051 573103149 /nfs/dbraw/zinc/10/31/49/573103149.db2.gz XHDSZCBIUGFLME-UNXYVOJBSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H]([NH3+])[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000085659495 573104840 /nfs/dbraw/zinc/10/48/40/573104840.db2.gz SBNVBODXBPAKDW-TUAOUCFPSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H]([NH3+])[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000085659500 573104227 /nfs/dbraw/zinc/10/42/27/573104227.db2.gz SBNVBODXBPAKDW-SRVKXCTJSA-N 1 0 197.366 3.576 10 0 AHAERO CC[NH2+][C@@H](C)[C@@H]1CCCC(C)(C)CC1 ZINC000085660933 573104645 /nfs/dbraw/zinc/10/46/45/573104645.db2.gz KUQXNVHCYJOJMM-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)[C@@H]1CCCC(C)(C)CC1 ZINC000085660937 573103390 /nfs/dbraw/zinc/10/33/90/573103390.db2.gz KUQXNVHCYJOJMM-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C)[C@H]1CCCC(C)(C)CC1 ZINC000085660939 573105019 /nfs/dbraw/zinc/10/50/19/573105019.db2.gz KUQXNVHCYJOJMM-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)[C@H]1CCCC(C)(C)CC1 ZINC000085660942 573105760 /nfs/dbraw/zinc/10/57/60/573105760.db2.gz KUQXNVHCYJOJMM-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C)C(CCC)CCC ZINC000085661669 572782457 /nfs/dbraw/zinc/78/24/57/572782457.db2.gz ZCZVAMIZZQZWCQ-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)C(CCC)CCC ZINC000085661672 572784839 /nfs/dbraw/zinc/78/48/39/572784839.db2.gz ZCZVAMIZZQZWCQ-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CC)C[C@]1(C)CCC[NH2+]1 ZINC000085698342 573118666 /nfs/dbraw/zinc/11/86/66/573118666.db2.gz XTTFGWWMPKPYOO-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H](CC)C[C@]1(C)CCC[NH2+]1 ZINC000085698346 572769849 /nfs/dbraw/zinc/76/98/49/572769849.db2.gz XTTFGWWMPKPYOO-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H](CC)C[C@@]1(C)CCC[NH2+]1 ZINC000085698347 572772753 /nfs/dbraw/zinc/77/27/53/572772753.db2.gz XTTFGWWMPKPYOO-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H](CC)C[C@@]1(C)CCC[NH2+]1 ZINC000085698350 572771926 /nfs/dbraw/zinc/77/19/26/572771926.db2.gz XTTFGWWMPKPYOO-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@]1(CCC)CCC[NH2+]1 ZINC000085699770 573123121 /nfs/dbraw/zinc/12/31/21/573123121.db2.gz CLGJVZWOFMERIX-CYBMUJFWSA-N 1 0 197.366 3.879 10 0 AHAERO CCCCCC[C@@]1(CCC)CCC[NH2+]1 ZINC000085699774 572771784 /nfs/dbraw/zinc/77/17/84/572771784.db2.gz CLGJVZWOFMERIX-ZDUSSCGKSA-N 1 0 197.366 3.879 10 0 AHAERO CCC[C@]1(CCC(C)(C)C)CCC[NH2+]1 ZINC000085700272 572772720 /nfs/dbraw/zinc/77/27/20/572772720.db2.gz SSIAIMTXNFFHOF-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@]1(CCC(C)(C)C)CCC[NH2+]1 ZINC000085700274 572770092 /nfs/dbraw/zinc/77/00/92/572770092.db2.gz SSIAIMTXNFFHOF-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](C)C[C@]1(CCC)CCC[NH2+]1 ZINC000085700392 573124153 /nfs/dbraw/zinc/12/41/53/573124153.db2.gz OIZQHKOSKVAWND-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](C)C[C@]1(CCC)CCC[NH2+]1 ZINC000085700395 572769773 /nfs/dbraw/zinc/76/97/73/572769773.db2.gz OIZQHKOSKVAWND-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](C)C[C@@]1(CCC)CCC[NH2+]1 ZINC000085700402 573121230 /nfs/dbraw/zinc/12/12/30/573121230.db2.gz OIZQHKOSKVAWND-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](C)C[C@@]1(CCC)CCC[NH2+]1 ZINC000085700404 572771992 /nfs/dbraw/zinc/77/19/92/572771992.db2.gz OIZQHKOSKVAWND-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@]1(C(C)C)CCC[NH2+]1 ZINC000085701454 572769268 /nfs/dbraw/zinc/76/92/68/572769268.db2.gz DNRPIWJAUWILIX-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@@]1(C(C)C)CCC[NH2+]1 ZINC000085701456 572771190 /nfs/dbraw/zinc/77/11/90/572771190.db2.gz DNRPIWJAUWILIX-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@H](C)C[C@]1(C(C)(C)C)CCC[NH2+]1 ZINC000085702259 573121842 /nfs/dbraw/zinc/12/18/42/573121842.db2.gz GWAXDQSRWVOREP-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@]1(C(C)(C)C)CCC[NH2+]1 ZINC000085702262 572776048 /nfs/dbraw/zinc/77/60/48/572776048.db2.gz GWAXDQSRWVOREP-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[C@@]1(C(C)(C)C)CCC[NH2+]1 ZINC000085702264 572775099 /nfs/dbraw/zinc/77/50/99/572775099.db2.gz GWAXDQSRWVOREP-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@@]1(C(C)(C)C)CCC[NH2+]1 ZINC000085702267 572775895 /nfs/dbraw/zinc/77/58/95/572775895.db2.gz GWAXDQSRWVOREP-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@]1(C(C)(C)C)CCC[NH2+]1 ZINC000085702418 572775203 /nfs/dbraw/zinc/77/52/03/572775203.db2.gz UDIYURJOCXAOCX-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@@]1(C(C)(C)C)CCC[NH2+]1 ZINC000085702421 572774352 /nfs/dbraw/zinc/77/43/52/572774352.db2.gz UDIYURJOCXAOCX-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@H](C)C[C@]1(CC(C)C)CCC[NH2+]1 ZINC000085702736 572773971 /nfs/dbraw/zinc/77/39/71/572773971.db2.gz VBIXOYZGVXPKLD-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@]1(CC(C)C)CCC[NH2+]1 ZINC000085702738 573121236 /nfs/dbraw/zinc/12/12/36/573121236.db2.gz VBIXOYZGVXPKLD-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[C@@]1(CC(C)C)CCC[NH2+]1 ZINC000085702743 572773375 /nfs/dbraw/zinc/77/33/75/572773375.db2.gz VBIXOYZGVXPKLD-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@@]1(CC(C)C)CCC[NH2+]1 ZINC000085702746 572775899 /nfs/dbraw/zinc/77/58/99/572775899.db2.gz VBIXOYZGVXPKLD-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[C@]1(CC(C)C)CCC[NH2+]1 ZINC000085702756 572775317 /nfs/dbraw/zinc/77/53/17/572775317.db2.gz VYRBJFGNLRWOOO-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[C@@]1(CC(C)C)CCC[NH2+]1 ZINC000085702762 572776675 /nfs/dbraw/zinc/77/66/75/572776675.db2.gz VYRBJFGNLRWOOO-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@]1(CC(C)C)CCC[NH2+]1 ZINC000085702886 572774709 /nfs/dbraw/zinc/77/47/09/572774709.db2.gz TVYYLNVHTCCZCH-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@@]1(CC(C)C)CCC[NH2+]1 ZINC000085702888 572775104 /nfs/dbraw/zinc/77/51/04/572775104.db2.gz TVYYLNVHTCCZCH-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@]1(C)CCCCC[NH2+]1 ZINC000085874008 573180862 /nfs/dbraw/zinc/18/08/62/573180862.db2.gz CXBCBQOIYXUKSG-CYBMUJFWSA-N 1 0 197.366 3.879 10 0 AHAERO CCCCCC[C@@]1(C)CCCCC[NH2+]1 ZINC000085874011 572832389 /nfs/dbraw/zinc/83/23/89/572832389.db2.gz CXBCBQOIYXUKSG-ZDUSSCGKSA-N 1 0 197.366 3.879 10 0 AHAERO CC(C)(C)CC[C@@]1(C)CCCCC[NH2+]1 ZINC000085874637 573180767 /nfs/dbraw/zinc/18/07/67/573180767.db2.gz DBDCUZLKNRRCQN-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)(C)CC[C@]1(C)CCCCC[NH2+]1 ZINC000085874640 573180368 /nfs/dbraw/zinc/18/03/68/573180368.db2.gz DBDCUZLKNRRCQN-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](C)C[C@]1(C)CCCCC[NH2+]1 ZINC000085874811 572832238 /nfs/dbraw/zinc/83/22/38/572832238.db2.gz NABWGUIRDONOAV-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](C)C[C@]1(C)CCCCC[NH2+]1 ZINC000085874815 572831614 /nfs/dbraw/zinc/83/16/14/572831614.db2.gz NABWGUIRDONOAV-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](C)C[C@@]1(C)CCCCC[NH2+]1 ZINC000085874816 572832465 /nfs/dbraw/zinc/83/24/65/572832465.db2.gz NABWGUIRDONOAV-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](C)C[C@@]1(C)CCCCC[NH2+]1 ZINC000085874818 572832169 /nfs/dbraw/zinc/83/21/69/572832169.db2.gz NABWGUIRDONOAV-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@]1(CCC(C)C)CCCCC[NH2+]1 ZINC000085875088 572830299 /nfs/dbraw/zinc/83/02/99/572830299.db2.gz TYZDFGMWCACZGC-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@]1(CCC(C)C)CCCCC[NH2+]1 ZINC000085875091 572829438 /nfs/dbraw/zinc/82/94/38/572829438.db2.gz TYZDFGMWCACZGC-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@H](C)C[C@]1(CC)CCCCC[NH2+]1 ZINC000085875120 572829557 /nfs/dbraw/zinc/82/95/57/572829557.db2.gz OGFGVIRAYGHHHB-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@H](C)C[C@]1(CC)CCCCC[NH2+]1 ZINC000085875124 572832140 /nfs/dbraw/zinc/83/21/40/572832140.db2.gz OGFGVIRAYGHHHB-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@H](C)C[C@@]1(CC)CCCCC[NH2+]1 ZINC000085875130 572832064 /nfs/dbraw/zinc/83/20/64/572832064.db2.gz OGFGVIRAYGHHHB-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@H](C)C[C@@]1(CC)CCCCC[NH2+]1 ZINC000085875138 572831719 /nfs/dbraw/zinc/83/17/19/572831719.db2.gz OGFGVIRAYGHHHB-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@]1(CC)CCCCC[NH2+]1 ZINC000085875371 572832876 /nfs/dbraw/zinc/83/28/76/572832876.db2.gz OEYUYIYXDXGUFB-CYBMUJFWSA-N 1 0 197.366 3.879 10 0 AHAERO CCCCC[C@@]1(CC)CCCCC[NH2+]1 ZINC000085875380 572831469 /nfs/dbraw/zinc/83/14/69/572831469.db2.gz OEYUYIYXDXGUFB-ZDUSSCGKSA-N 1 0 197.366 3.879 10 0 AHAERO CCCC[C@]1(CCC)CCCCC[NH2+]1 ZINC000085875924 572831066 /nfs/dbraw/zinc/83/10/66/572831066.db2.gz TWKYQDSSMFSIQX-CYBMUJFWSA-N 1 0 197.366 3.879 10 0 AHAERO CCCC[C@@]1(CCC)CCCCC[NH2+]1 ZINC000085875927 572829548 /nfs/dbraw/zinc/82/95/48/572829548.db2.gz TWKYQDSSMFSIQX-ZDUSSCGKSA-N 1 0 197.366 3.879 10 0 AHAERO CCC[C@]1(CC(C)C)CCCCC[NH2+]1 ZINC000085875974 572832917 /nfs/dbraw/zinc/83/29/17/572832917.db2.gz CEBNJXSABHTJLE-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@]1(CC(C)C)CCCCC[NH2+]1 ZINC000085875978 572831249 /nfs/dbraw/zinc/83/12/49/572831249.db2.gz CEBNJXSABHTJLE-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@]1(C(C)(C)C)CCCCC[NH2+]1 ZINC000085876293 573179205 /nfs/dbraw/zinc/17/92/05/573179205.db2.gz GPWGKDBFXUNUJO-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@]1(C(C)(C)C)CCCCC[NH2+]1 ZINC000085876297 573179582 /nfs/dbraw/zinc/17/95/82/573179582.db2.gz GPWGKDBFXUNUJO-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@]1(C(C)C)CCCCC[NH2+]1 ZINC000085876369 572829924 /nfs/dbraw/zinc/82/99/24/572829924.db2.gz MEAMYBCPJHDMNI-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@]1(C(C)C)CCCCC[NH2+]1 ZINC000085876375 572829719 /nfs/dbraw/zinc/82/97/19/572829719.db2.gz MEAMYBCPJHDMNI-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)C[C@]1(C(C)C)CCCCC[NH2+]1 ZINC000085876435 573177359 /nfs/dbraw/zinc/17/73/59/573177359.db2.gz KXWHAYRYPWAXLT-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[C@@]1(C(C)C)CCCCC[NH2+]1 ZINC000085876438 573177784 /nfs/dbraw/zinc/17/77/84/573177784.db2.gz KXWHAYRYPWAXLT-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[C@]1(C(C)(C)C)CCCCC[NH2+]1 ZINC000085876771 573180354 /nfs/dbraw/zinc/18/03/54/573180354.db2.gz HHIZKAAVXXZLRI-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[C@@]1(C(C)(C)C)CCCCC[NH2+]1 ZINC000085876774 573179990 /nfs/dbraw/zinc/17/99/90/573179990.db2.gz HHIZKAAVXXZLRI-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C=C(C)C)C1CCCCC1 ZINC000086026952 572846046 /nfs/dbraw/zinc/84/60/46/572846046.db2.gz GFRKWNWWKSTDOJ-ZDUSSCGKSA-N 1 0 195.350 3.511 10 0 AHAERO CC[NH2+][C@H](C=C(C)C)C1CCCCC1 ZINC000086026959 572846803 /nfs/dbraw/zinc/84/68/03/572846803.db2.gz GFRKWNWWKSTDOJ-CYBMUJFWSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@@H](C=C(C)C)C1CCCC1 ZINC000086027477 572846369 /nfs/dbraw/zinc/84/63/69/572846369.db2.gz BBUWSOVJSDKBGP-ZDUSSCGKSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@H](C=C(C)C)C1CCCC1 ZINC000086027483 572844992 /nfs/dbraw/zinc/84/49/92/572844992.db2.gz BBUWSOVJSDKBGP-CYBMUJFWSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@H](C=C(C)C)CCC(C)C ZINC000086028226 572845038 /nfs/dbraw/zinc/84/50/38/572845038.db2.gz JERRAFAMKRHDBW-ZDUSSCGKSA-N 1 0 197.366 3.757 10 0 AHAERO CCC[NH2+][C@@H](C=C(C)C)CCC(C)C ZINC000086028238 573236103 /nfs/dbraw/zinc/23/61/03/573236103.db2.gz JERRAFAMKRHDBW-CYBMUJFWSA-N 1 0 197.366 3.757 10 0 AHAERO CCC[NH2+][C@H](C=C(C)C)CC(C)(C)C ZINC000086056341 572847996 /nfs/dbraw/zinc/84/79/96/572847996.db2.gz JFHDYAHTUHONNB-GFCCVEGCSA-N 1 0 197.366 3.757 10 0 AHAERO CCC[NH2+][C@@H](C=C(C)C)CC(C)(C)C ZINC000086056344 572848261 /nfs/dbraw/zinc/84/82/61/572848261.db2.gz JFHDYAHTUHONNB-LBPRGKRZSA-N 1 0 197.366 3.757 10 0 AHAERO C[NH2+][C@@H](C=C(C)C)C1CCCCCC1 ZINC000086057736 573245075 /nfs/dbraw/zinc/24/50/75/573245075.db2.gz JXTWWAZAPKRHFM-ZDUSSCGKSA-N 1 0 195.350 3.511 10 0 AHAERO C[NH2+][C@H](C=C(C)C)C1CCCCCC1 ZINC000086057738 573243342 /nfs/dbraw/zinc/24/33/42/573243342.db2.gz JXTWWAZAPKRHFM-CYBMUJFWSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[C@]1(C=C(C)C)CCCCC[NH2+]1 ZINC000086059259 573246011 /nfs/dbraw/zinc/24/60/11/573246011.db2.gz OKNJCELUZYTIBD-CYBMUJFWSA-N 1 0 195.350 3.655 10 0 AHAERO CCC[C@@]1(C=C(C)C)CCCCC[NH2+]1 ZINC000086059261 573242378 /nfs/dbraw/zinc/24/23/78/573242378.db2.gz OKNJCELUZYTIBD-ZDUSSCGKSA-N 1 0 195.350 3.655 10 0 AHAERO CC(C)=C[C@@]1(C(C)C)CCCCC[NH2+]1 ZINC000086059269 573241903 /nfs/dbraw/zinc/24/19/03/573241903.db2.gz CAGQYHSFPSTQKT-CYBMUJFWSA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)=C[C@]1(C(C)C)CCCCC[NH2+]1 ZINC000086059270 573245379 /nfs/dbraw/zinc/24/53/79/573245379.db2.gz CAGQYHSFPSTQKT-ZDUSSCGKSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H]([NH3+])[C@@H]1CCC[C@H](C(C)C)CC1 ZINC000086161911 573276667 /nfs/dbraw/zinc/27/66/67/573276667.db2.gz AIYYDIPUYXDTEZ-XQQFMLRXSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]([NH3+])[C@H]1CCC[C@H](C(C)C)CC1 ZINC000086161913 573276010 /nfs/dbraw/zinc/27/60/10/573276010.db2.gz AIYYDIPUYXDTEZ-AVGNSLFASA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H]1CCC[C@H]([C@H]([NH3+])CC)CC1 ZINC000086162087 572881331 /nfs/dbraw/zinc/88/13/31/572881331.db2.gz RWROVKBTSIDBGC-FRRDWIJNSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H]1CCC[C@@H]([C@H]([NH3+])CC)CC1 ZINC000086162089 572883638 /nfs/dbraw/zinc/88/36/38/572883638.db2.gz RWROVKBTSIDBGC-JHJVBQTASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]([NH3+])[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000086162107 573275450 /nfs/dbraw/zinc/27/54/50/573275450.db2.gz WEFPEIYOPVQNAZ-WOPDTQHZSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]([NH3+])[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000086162109 573276356 /nfs/dbraw/zinc/27/63/56/573276356.db2.gz WEFPEIYOPVQNAZ-SRVKXCTJSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]([NH2+]C)[C@@H]1CCCC(C)(C)CC1 ZINC000086162139 573275778 /nfs/dbraw/zinc/27/57/78/573275778.db2.gz ZHRGJQRPXTZZEV-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH2+]C)[C@@H]1CCCC(C)(C)CC1 ZINC000086162140 573278730 /nfs/dbraw/zinc/27/87/30/573278730.db2.gz ZHRGJQRPXTZZEV-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]([NH2+]C)[C@H]1CCCC(C)(C)CC1 ZINC000086162141 573275530 /nfs/dbraw/zinc/27/55/30/573275530.db2.gz ZHRGJQRPXTZZEV-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH2+]C)[C@H]1CCCC(C)(C)CC1 ZINC000086162142 573277253 /nfs/dbraw/zinc/27/72/53/573277253.db2.gz ZHRGJQRPXTZZEV-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH2+]C)[C@H]1CCC[C@@H](CC)CC1 ZINC000086162301 572883069 /nfs/dbraw/zinc/88/30/69/572883069.db2.gz WYUPADYMAKTUAK-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH2+]C)[C@@H]1CCC[C@@H](CC)CC1 ZINC000086162303 572882246 /nfs/dbraw/zinc/88/22/46/572882246.db2.gz WYUPADYMAKTUAK-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)[C@@H](CC)[NH2+]CC ZINC000086162652 572883060 /nfs/dbraw/zinc/88/30/60/572883060.db2.gz XHELUSWNBSXVOZ-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](CC)[C@@H](CC)[NH2+]CC ZINC000086162654 572883699 /nfs/dbraw/zinc/88/36/99/572883699.db2.gz XHELUSWNBSXVOZ-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CC)[C@H](CC)[NH2+]CC ZINC000086162656 572882297 /nfs/dbraw/zinc/88/22/97/572882297.db2.gz XHELUSWNBSXVOZ-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](CC)[C@H](CC)[NH2+]CC ZINC000086162658 572883271 /nfs/dbraw/zinc/88/32/71/572883271.db2.gz XHELUSWNBSXVOZ-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@@H]1CCC[C@H](C)CC1 ZINC000086162719 572881286 /nfs/dbraw/zinc/88/12/86/572881286.db2.gz JQHLZDFSAQCAFM-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@H]1CCC[C@H](C)CC1 ZINC000086162724 572883259 /nfs/dbraw/zinc/88/32/59/572883259.db2.gz JQHLZDFSAQCAFM-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@H](CC)C[C@H](C)CC ZINC000086162733 572882344 /nfs/dbraw/zinc/88/23/44/572882344.db2.gz GCHSYNJPNHLIDY-JHJVBQTASA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CC)[C@H](CC)C[C@@H](C)CC ZINC000086162735 572883208 /nfs/dbraw/zinc/88/32/08/572883208.db2.gz GCHSYNJPNHLIDY-YNEHKIRRSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CC)[C@@H](CC)C[C@H](C)CC ZINC000086162737 572882284 /nfs/dbraw/zinc/88/22/84/572882284.db2.gz GCHSYNJPNHLIDY-FRRDWIJNSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CC)[C@@H](CC)C[C@@H](C)CC ZINC000086162738 573276384 /nfs/dbraw/zinc/27/63/84/573276384.db2.gz GCHSYNJPNHLIDY-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC(CCC)[C@@H](CC)[NH2+]CC ZINC000086162846 572882351 /nfs/dbraw/zinc/88/23/51/572882351.db2.gz ABRUJRAGKZWBAW-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC(CCC)[C@H](CC)[NH2+]CC ZINC000086162849 572883629 /nfs/dbraw/zinc/88/36/29/572883629.db2.gz ABRUJRAGKZWBAW-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@@H](CC)C1CCCCCCC1 ZINC000086163002 572883515 /nfs/dbraw/zinc/88/35/15/572883515.db2.gz YXSCWNYMAJJXOB-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@H](CC)C1CCCCCCC1 ZINC000086163004 572882861 /nfs/dbraw/zinc/88/28/61/572882861.db2.gz YXSCWNYMAJJXOB-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H](CC)[C@@H]1CCCC(C)(C)C1 ZINC000086163012 572881317 /nfs/dbraw/zinc/88/13/17/572881317.db2.gz DBBZQVPIELTJPH-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@@H]1CCCC(C)(C)C1 ZINC000086163014 572881189 /nfs/dbraw/zinc/88/11/89/572881189.db2.gz DBBZQVPIELTJPH-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC)[C@H]1CCCC(C)(C)C1 ZINC000086163016 572882853 /nfs/dbraw/zinc/88/28/53/572882853.db2.gz DBBZQVPIELTJPH-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@H]1CCCC(C)(C)C1 ZINC000086163017 572881185 /nfs/dbraw/zinc/88/11/85/572881185.db2.gz DBBZQVPIELTJPH-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC)[C@@H](C)C1CCCCC1 ZINC000086163079 572882054 /nfs/dbraw/zinc/88/20/54/572882054.db2.gz OVEBCBRGSJNTBE-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@@H](C)C1CCCCC1 ZINC000086163082 572883011 /nfs/dbraw/zinc/88/30/11/572883011.db2.gz OVEBCBRGSJNTBE-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC)[C@H](C)C1CCCCC1 ZINC000086163083 572882992 /nfs/dbraw/zinc/88/29/92/572882992.db2.gz OVEBCBRGSJNTBE-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@H](C)C1CCCCC1 ZINC000086163086 572882162 /nfs/dbraw/zinc/88/21/62/572882162.db2.gz OVEBCBRGSJNTBE-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)[C@@H](CC)[NH2+]CCC ZINC000086163150 572881487 /nfs/dbraw/zinc/88/14/87/572881487.db2.gz ITHMVQGGORXTSE-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)[C@@H](CC)[NH2+]CCC ZINC000086163152 572881323 /nfs/dbraw/zinc/88/13/23/572881323.db2.gz ITHMVQGGORXTSE-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)[C@H](CC)[NH2+]CCC ZINC000086163154 572882347 /nfs/dbraw/zinc/88/23/47/572882347.db2.gz ITHMVQGGORXTSE-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)[C@H](CC)[NH2+]CCC ZINC000086163156 572882392 /nfs/dbraw/zinc/88/23/92/572882392.db2.gz ITHMVQGGORXTSE-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@H](CC)C(CCC)CCC ZINC000086163273 572882675 /nfs/dbraw/zinc/88/26/75/572882675.db2.gz BSDULNIQEDLEBG-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@@H](CC)C(CCC)CCC ZINC000086163274 572882746 /nfs/dbraw/zinc/88/27/46/572882746.db2.gz BSDULNIQEDLEBG-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@H](CC)[C@@H]1CCCC[C@@H]1C ZINC000086163323 572883608 /nfs/dbraw/zinc/88/36/08/572883608.db2.gz BJOFDTYXNIVRLH-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC)[C@H]1CCCC[C@@H]1C ZINC000086163327 572880932 /nfs/dbraw/zinc/88/09/32/572880932.db2.gz BJOFDTYXNIVRLH-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC)[C@@H](C)C1CCCC1 ZINC000086163392 572881157 /nfs/dbraw/zinc/88/11/57/572881157.db2.gz DCWGQXUWIKOMLT-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC)[C@@H](C)C1CCCC1 ZINC000086163393 572883605 /nfs/dbraw/zinc/88/36/05/572883605.db2.gz DCWGQXUWIKOMLT-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC)[C@H](C)C1CCCC1 ZINC000086163395 572881652 /nfs/dbraw/zinc/88/16/52/572881652.db2.gz DCWGQXUWIKOMLT-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC)[C@H](C)C1CCCC1 ZINC000086163397 572881406 /nfs/dbraw/zinc/88/14/06/572881406.db2.gz DCWGQXUWIKOMLT-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[C@H]([NH3+])[C@@H]1CCCC(C)(C)CC1 ZINC000086167485 573284460 /nfs/dbraw/zinc/28/44/60/573284460.db2.gz BEXIRWLVMFAHIB-NEPJUHHUSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@@H]([NH3+])[C@@H]1CCCC(C)(C)CC1 ZINC000086167487 573282290 /nfs/dbraw/zinc/28/22/90/573282290.db2.gz BEXIRWLVMFAHIB-VXGBXAGGSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@H]([NH3+])[C@H]1CCCC(C)(C)CC1 ZINC000086167489 573284309 /nfs/dbraw/zinc/28/43/09/573284309.db2.gz BEXIRWLVMFAHIB-RYUDHWBXSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@@H]([NH3+])[C@H]1CCCC(C)(C)CC1 ZINC000086167491 573282988 /nfs/dbraw/zinc/28/29/88/573282988.db2.gz BEXIRWLVMFAHIB-NWDGAFQWSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCC[C@H]([C@H]([NH3+])C(C)C)CC1 ZINC000086167825 573283548 /nfs/dbraw/zinc/28/35/48/573283548.db2.gz HBOMCXIDXMDYOB-FRRDWIJNSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCC[C@@H]([C@H]([NH3+])C(C)C)CC1 ZINC000086167829 573282437 /nfs/dbraw/zinc/28/24/37/573282437.db2.gz HBOMCXIDXMDYOB-JHJVBQTASA-N 1 0 197.366 3.576 10 0 AHAERO CCCCCC[C@@H](C)[C@H]([NH3+])C(C)C ZINC000086167871 572885742 /nfs/dbraw/zinc/88/57/42/572885742.db2.gz AKPHBQCAFUWSIA-VXGBXAGGSA-N 1 0 185.355 3.576 10 0 AHAERO CCCCCC[C@H](C)[C@H]([NH3+])C(C)C ZINC000086167872 572884550 /nfs/dbraw/zinc/88/45/50/572884550.db2.gz AKPHBQCAFUWSIA-NWDGAFQWSA-N 1 0 185.355 3.576 10 0 AHAERO CCCCCC[C@@H](C)[C@@H]([NH3+])C(C)C ZINC000086167874 572886718 /nfs/dbraw/zinc/88/67/18/572886718.db2.gz AKPHBQCAFUWSIA-NEPJUHHUSA-N 1 0 185.355 3.576 10 0 AHAERO CCCCCC[C@H](C)[C@@H]([NH3+])C(C)C ZINC000086167876 572886693 /nfs/dbraw/zinc/88/66/93/572886693.db2.gz AKPHBQCAFUWSIA-RYUDHWBXSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@H](C[C@@H](C)CC)[C@H]([NH2+]C)C(C)C ZINC000086168457 572886113 /nfs/dbraw/zinc/88/61/13/572886113.db2.gz CENJZAINCMEYDT-YNEHKIRRSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)C[C@H](CC)[C@H]([NH2+]C)C(C)C ZINC000086168462 572886219 /nfs/dbraw/zinc/88/62/19/572886219.db2.gz CENJZAINCMEYDT-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO CCCCCC[C@@H](C)[C@H]([NH2+]C)C(C)C ZINC000086168622 572885432 /nfs/dbraw/zinc/88/54/32/572885432.db2.gz FTTNCLXOJKCGHN-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCCC[C@H](C)[C@H]([NH2+]C)C(C)C ZINC000086168624 572886994 /nfs/dbraw/zinc/88/69/94/572886994.db2.gz FTTNCLXOJKCGHN-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCCC[C@@H](C)[C@@H]([NH2+]C)C(C)C ZINC000086168627 572886950 /nfs/dbraw/zinc/88/69/50/572886950.db2.gz FTTNCLXOJKCGHN-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCCC[C@H](C)[C@@H]([NH2+]C)C(C)C ZINC000086168630 572885329 /nfs/dbraw/zinc/88/53/29/572885329.db2.gz FTTNCLXOJKCGHN-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@@H](C(C)C)C1CCCCCCC1 ZINC000086168791 573281197 /nfs/dbraw/zinc/28/11/97/573281197.db2.gz XSXOHELEWHEQLC-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C(C)C)C1CCCCCCC1 ZINC000086168793 573283190 /nfs/dbraw/zinc/28/31/90/573283190.db2.gz XSXOHELEWHEQLC-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)[C@H]([NH2+]CC)C(C)C ZINC000086168959 572884804 /nfs/dbraw/zinc/88/48/04/572884804.db2.gz WDJNUMTXERVJTR-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](CC)[C@H]([NH2+]CC)C(C)C ZINC000086168961 572884920 /nfs/dbraw/zinc/88/49/20/572884920.db2.gz WDJNUMTXERVJTR-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](CC)[C@@H]([NH2+]CC)C(C)C ZINC000086168963 572886210 /nfs/dbraw/zinc/88/62/10/572886210.db2.gz WDJNUMTXERVJTR-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](CC)[C@@H]([NH2+]CC)C(C)C ZINC000086168964 572886148 /nfs/dbraw/zinc/88/61/48/572886148.db2.gz WDJNUMTXERVJTR-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCCC(CCC)[C@H]([NH2+]CC)C(C)C ZINC000086169094 573283307 /nfs/dbraw/zinc/28/33/07/573283307.db2.gz PMWBQEPESHGYGX-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC(CCC)[C@@H]([NH2+]CC)C(C)C ZINC000086169096 572884839 /nfs/dbraw/zinc/88/48/39/572884839.db2.gz PMWBQEPESHGYGX-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C(C)C)[C@@H](C)CCC(C)C ZINC000086169227 572886138 /nfs/dbraw/zinc/88/61/38/572886138.db2.gz WWDAALOSDJEBOQ-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](C(C)C)[C@@H](C)CCC(C)C ZINC000086169228 572885376 /nfs/dbraw/zinc/88/53/76/572885376.db2.gz WWDAALOSDJEBOQ-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@@H](C(C)C)[C@H](C)CCC(C)C ZINC000086169231 572884841 /nfs/dbraw/zinc/88/48/41/572884841.db2.gz WWDAALOSDJEBOQ-OLZOCXBDSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](C(C)C)[C@H](C)CCC(C)C ZINC000086169232 572886396 /nfs/dbraw/zinc/88/63/96/572886396.db2.gz WWDAALOSDJEBOQ-CHWSQXEVSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@@H](C(C)C)[C@@H](CC)C(C)C ZINC000086169307 572885203 /nfs/dbraw/zinc/88/52/03/572885203.db2.gz ATCIKFKAWTXLHK-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@H](C(C)C)[C@@H](CC)C(C)C ZINC000086169309 572884468 /nfs/dbraw/zinc/88/44/68/572884468.db2.gz ATCIKFKAWTXLHK-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@@H](C(C)C)[C@H](CC)C(C)C ZINC000086169311 572886856 /nfs/dbraw/zinc/88/68/56/572886856.db2.gz ATCIKFKAWTXLHK-OLZOCXBDSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@H](C(C)C)[C@H](CC)C(C)C ZINC000086169313 572886510 /nfs/dbraw/zinc/88/65/10/572886510.db2.gz ATCIKFKAWTXLHK-CHWSQXEVSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@H](C(C)C)[C@@H](C)[C@@H](C)CC ZINC000086169438 572884957 /nfs/dbraw/zinc/88/49/57/572884957.db2.gz BXUQGVZSYRCZTM-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@H](C(C)C)[C@H](C)[C@@H](C)CC ZINC000086169443 572886025 /nfs/dbraw/zinc/88/60/25/572886025.db2.gz BXUQGVZSYRCZTM-YNEHKIRRSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@@H](C(C)C)[C@@H](C)CC(C)C ZINC000086169463 572886665 /nfs/dbraw/zinc/88/66/65/572886665.db2.gz NYRXCOCQLXEGHA-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@H](C(C)C)[C@@H](C)CC(C)C ZINC000086169465 572884274 /nfs/dbraw/zinc/88/42/74/572884274.db2.gz NYRXCOCQLXEGHA-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@@H](C(C)C)[C@H](C)CC(C)C ZINC000086169470 572886069 /nfs/dbraw/zinc/88/60/69/572886069.db2.gz NYRXCOCQLXEGHA-OLZOCXBDSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@H](C(C)C)[C@H](C)CC(C)C ZINC000086169472 572886096 /nfs/dbraw/zinc/88/60/96/572886096.db2.gz NYRXCOCQLXEGHA-CHWSQXEVSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@@H](C(C)C)[C@@H](C)C(C)(C)C ZINC000086169551 572886603 /nfs/dbraw/zinc/88/66/03/572886603.db2.gz MNATWGPYCWTVGD-NEPJUHHUSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@H](C(C)C)[C@@H](C)C(C)(C)C ZINC000086169553 572886819 /nfs/dbraw/zinc/88/68/19/572886819.db2.gz MNATWGPYCWTVGD-VXGBXAGGSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@@H](C(C)C)[C@H](C)C(C)(C)C ZINC000086169555 572884836 /nfs/dbraw/zinc/88/48/36/572884836.db2.gz MNATWGPYCWTVGD-RYUDHWBXSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@H](C(C)C)[C@H](C)C(C)(C)C ZINC000086169557 572884760 /nfs/dbraw/zinc/88/47/60/572884760.db2.gz MNATWGPYCWTVGD-NWDGAFQWSA-N 1 0 199.382 3.693 10 0 AHAERO CCCCCC[C@]1(C)CC[NH2+]C[C@@H]1C ZINC000086192452 572881117 /nfs/dbraw/zinc/88/11/17/572881117.db2.gz UXWFCOMDLHMHRD-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCC[C@@]1(C)CC[NH2+]C[C@@H]1C ZINC000086192453 572881896 /nfs/dbraw/zinc/88/18/96/572881896.db2.gz UXWFCOMDLHMHRD-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCC[C@]1(C)CC[NH2+]C[C@H]1C ZINC000086192454 572882612 /nfs/dbraw/zinc/88/26/12/572882612.db2.gz UXWFCOMDLHMHRD-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCC[C@@]1(C)CC[NH2+]C[C@H]1C ZINC000086192455 572880926 /nfs/dbraw/zinc/88/09/26/572880926.db2.gz UXWFCOMDLHMHRD-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@]1(CC)CC[NH2+]C[C@@H]1CC ZINC000086193863 572885980 /nfs/dbraw/zinc/88/59/80/572885980.db2.gz SHYIDXNQHFFBGB-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@]1(CC)CC[NH2+]C[C@@H]1CC ZINC000086193864 572885548 /nfs/dbraw/zinc/88/55/48/572885548.db2.gz SHYIDXNQHFFBGB-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@]1(CC)CC[NH2+]C[C@H]1CC ZINC000086193865 572886465 /nfs/dbraw/zinc/88/64/65/572886465.db2.gz SHYIDXNQHFFBGB-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@]1(CC)CC[NH2+]C[C@H]1CC ZINC000086193866 572886292 /nfs/dbraw/zinc/88/62/92/572886292.db2.gz SHYIDXNQHFFBGB-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC1(CCC)CC[NH2+]C[C@@H]1CC ZINC000086193973 572884852 /nfs/dbraw/zinc/88/48/52/572884852.db2.gz ZZZRXVLOWZJOHX-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC1(CCC)CC[NH2+]C[C@H]1CC ZINC000086193974 572885840 /nfs/dbraw/zinc/88/58/40/572885840.db2.gz ZZZRXVLOWZJOHX-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CC/C(=C\C1CCCCCC1)C[NH2+]C ZINC000086214174 572892259 /nfs/dbraw/zinc/89/22/59/572892259.db2.gz JADRITDWGMSSED-ZRDIBKRKSA-N 1 0 195.350 3.513 10 0 AHAERO CC[NH2+]C/C(=C\C1CCCCC1)CC ZINC000086214414 572891029 /nfs/dbraw/zinc/89/10/29/572891029.db2.gz ZPHUIUDMSGQJGC-BENRWUELSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]C/C(=C\C(CC)CC)CC ZINC000086214547 572892186 /nfs/dbraw/zinc/89/21/86/572892186.db2.gz DZUWVPMFRNBZQN-RAXLEYEMSA-N 1 0 197.366 3.759 10 0 AHAERO CCC[NH2+]C/C(=C\C1CCCC1)CC ZINC000086214621 572890973 /nfs/dbraw/zinc/89/09/73/572890973.db2.gz GQYIGSPMDSBOHC-BENRWUELSA-N 1 0 195.350 3.513 10 0 AHAERO CC/C(=C/C(CC)CC)C[NH2+]C(C)C ZINC000086214663 572892273 /nfs/dbraw/zinc/89/22/73/572892273.db2.gz MRHUBRILLMKUJD-LCYFTJDESA-N 1 0 197.366 3.757 10 0 AHAERO CC/C(=C\C1CCCC1)C[NH2+]C(C)C ZINC000086214698 573319003 /nfs/dbraw/zinc/31/90/03/573319003.db2.gz DYSSWLCNQIRBAY-FMIVXFBMSA-N 1 0 195.350 3.511 10 0 AHAERO CC/C(=C/C(CC)CC)C[NH2+]C1CC1 ZINC000086214726 572892136 /nfs/dbraw/zinc/89/21/36/572892136.db2.gz OOUCEXRLGLSGGX-XFXZXTDPSA-N 1 0 195.350 3.511 10 0 AHAERO CC/C(=C/[C@H](C)CC)C[NH2+]C(C)(C)C ZINC000086214813 572891782 /nfs/dbraw/zinc/89/17/82/572891782.db2.gz AHUWLBVJULJUJG-ZGSOTFDTSA-N 1 0 197.366 3.757 10 0 AHAERO CC/C(=C/[C@@H](C)CC)C[NH2+]C(C)(C)C ZINC000086214814 572891901 /nfs/dbraw/zinc/89/19/01/572891901.db2.gz AHUWLBVJULJUJG-AWPPVZKDSA-N 1 0 197.366 3.757 10 0 AHAERO CC/C(=C\C(C)(C)C)C[NH2+]C(C)(C)C ZINC000086214816 572890935 /nfs/dbraw/zinc/89/09/35/572890935.db2.gz OCQSNWLACHXIBK-PKNBQFBNSA-N 1 0 197.366 3.757 10 0 AHAERO CC/C(=C/[C@H](C)CC)C[NH2+]CC(C)C ZINC000086214850 572891120 /nfs/dbraw/zinc/89/11/20/572891120.db2.gz HQSQSDJUTGFIFO-YFBAIUBQSA-N 1 0 197.366 3.615 10 0 AHAERO CC/C(=C/[C@@H](C)CC)C[NH2+]CC(C)C ZINC000086214851 572892380 /nfs/dbraw/zinc/89/23/80/572892380.db2.gz HQSQSDJUTGFIFO-OEMOTLHWSA-N 1 0 197.366 3.615 10 0 AHAERO CC/C(=C/C(C)(C)C)C[NH2+]CC(C)C ZINC000086214853 572892482 /nfs/dbraw/zinc/89/24/82/572892482.db2.gz ZZZNCGIMAVDLOL-WQLSENKSSA-N 1 0 197.366 3.615 10 0 AHAERO CC[NH2+]C/C(=C\C(CC)CC)C(C)C ZINC000086215003 572892663 /nfs/dbraw/zinc/89/26/63/572892663.db2.gz SXXAPWLJZVZWPN-UKTHLTGXSA-N 1 0 197.366 3.615 10 0 AHAERO CCC[NH2+]C/C(=C\[C@@H](C)CC)C(C)C ZINC000086215090 572891371 /nfs/dbraw/zinc/89/13/71/572891371.db2.gz MUTXNMCQWWCRHU-OQZOHAQUSA-N 1 0 197.366 3.615 10 0 AHAERO CCC[NH2+]C/C(=C\[C@H](C)CC)C(C)C ZINC000086215091 572892873 /nfs/dbraw/zinc/89/28/73/572892873.db2.gz MUTXNMCQWWCRHU-AUWXEVLLSA-N 1 0 197.366 3.615 10 0 AHAERO CCC[NH2+]C/C(=C\C(C)(C)C)C(C)C ZINC000086215093 572891977 /nfs/dbraw/zinc/89/19/77/572891977.db2.gz MGXVVURQXFUOHI-FMIVXFBMSA-N 1 0 197.366 3.615 10 0 AHAERO CC[C@@H](C)/C=C(/C[NH2+]C(C)C)C(C)C ZINC000086215127 572891814 /nfs/dbraw/zinc/89/18/14/572891814.db2.gz LAVBAZLLNRNHGY-YFBAIUBQSA-N 1 0 197.366 3.613 10 0 AHAERO CC[C@H](C)/C=C(/C[NH2+]C(C)C)C(C)C ZINC000086215128 572892976 /nfs/dbraw/zinc/89/29/76/572892976.db2.gz LAVBAZLLNRNHGY-OEMOTLHWSA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)[NH2+]C/C(=C\C(C)(C)C)C(C)C ZINC000086215130 572892389 /nfs/dbraw/zinc/89/23/89/572892389.db2.gz YPAVNZKWJKZXCJ-XYOKQWHBSA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)/C=C(/C[NH2+]C(C)(C)C)C(C)C ZINC000086215168 572892949 /nfs/dbraw/zinc/89/29/49/572892949.db2.gz XFGDMOXCLHNKAU-WQLSENKSSA-N 1 0 197.366 3.613 10 0 AHAERO CCC[NH2+]C/C=C/C1CCCCCC1 ZINC000086227908 572891161 /nfs/dbraw/zinc/89/11/61/572891161.db2.gz KKJMQYXLSIMMOO-JXMROGBWSA-N 1 0 195.350 3.513 10 0 AHAERO CC(C)[NH2+]C/C=C/C1CCCCCC1 ZINC000086228026 572892994 /nfs/dbraw/zinc/89/29/94/572892994.db2.gz KEHRUJURODQINS-JXMROGBWSA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)(C)[NH2+]C/C=C/C1CCCCC1 ZINC000086228219 572894129 /nfs/dbraw/zinc/89/41/29/572894129.db2.gz LHTVRQICMFFVMB-JXMROGBWSA-N 1 0 195.350 3.511 10 0 AHAERO CC[NH2+]C/C(C)=C/C1CCCCCC1 ZINC000086228699 572893511 /nfs/dbraw/zinc/89/35/11/572893511.db2.gz LHQDYZDELXQDEL-ZRDIBKRKSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]C/C(C)=C/C1CCCCC1 ZINC000086228826 572895027 /nfs/dbraw/zinc/89/50/27/572895027.db2.gz MTPANDFWUBRGDS-ZRDIBKRKSA-N 1 0 195.350 3.513 10 0 AHAERO C/C(=C\C1CCCCC1)C[NH2+]C(C)C ZINC000086228928 572894824 /nfs/dbraw/zinc/89/48/24/572894824.db2.gz CWGODRFWVQDPEK-FMIVXFBMSA-N 1 0 195.350 3.511 10 0 AHAERO CCC(/C=C(/C)C[NH2+]C(C)(C)C)CC ZINC000086229101 572893488 /nfs/dbraw/zinc/89/34/88/572893488.db2.gz JHTKMUCLBMZOHU-LUAWRHEFSA-N 1 0 197.366 3.757 10 0 AHAERO C/C(=C\C1CCCC1)C[NH2+]C(C)(C)C ZINC000086229136 572894543 /nfs/dbraw/zinc/89/45/43/572894543.db2.gz QGCMBQQZTKHQEQ-PKNBQFBNSA-N 1 0 195.350 3.511 10 0 AHAERO CCC(/C=C(/C)C[NH2+]CC(C)C)CC ZINC000086229164 572894515 /nfs/dbraw/zinc/89/45/15/572894515.db2.gz TZJPDVFVEZDJSY-WQLSENKSSA-N 1 0 197.366 3.615 10 0 AHAERO CCCC[C@@H](C)[NH2+]C1C(C)(C)C1(C)C ZINC000086239670 572900031 /nfs/dbraw/zinc/90/00/31/572900031.db2.gz BEMXSXTZKIQUCN-SNVBAGLBSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@H](C)[NH2+]C1C(C)(C)C1(C)C ZINC000086239671 572898895 /nfs/dbraw/zinc/89/88/95/572898895.db2.gz BEMXSXTZKIQUCN-JTQLQIEISA-N 1 0 197.366 3.589 10 0 AHAERO CCCCCC[NH2+]C1C(C)(C)C1(C)C ZINC000086239741 572899101 /nfs/dbraw/zinc/89/91/01/572899101.db2.gz KWGFLWWRRGVLEA-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]([NH2+]C)c1csc(C)c1 ZINC000086315127 572915652 /nfs/dbraw/zinc/91/56/52/572915652.db2.gz WISGMUFLGFFDOP-NSHDSACASA-N 1 0 197.347 3.507 10 0 AHAERO CCCC[C@@H]([NH2+]C)c1csc(C)c1 ZINC000086315128 572917275 /nfs/dbraw/zinc/91/72/75/572917275.db2.gz WISGMUFLGFFDOP-LLVKDONJSA-N 1 0 197.347 3.507 10 0 AHAERO CCCC[C@@H](CCC(C)(C)C)[NH2+]C ZINC000086315173 572916222 /nfs/dbraw/zinc/91/62/22/572916222.db2.gz CNBLFHAXORRUCA-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](CCC(C)(C)C)[NH2+]C ZINC000086315174 572917123 /nfs/dbraw/zinc/91/71/23/572917123.db2.gz CNBLFHAXORRUCA-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](C[C@@H](C)CCC)[NH2+]C ZINC000086315193 572917263 /nfs/dbraw/zinc/91/72/63/572917263.db2.gz NNZHZIMEWYNRIN-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](C[C@@H](C)CCC)[NH2+]C ZINC000086315194 572915303 /nfs/dbraw/zinc/91/53/03/572915303.db2.gz NNZHZIMEWYNRIN-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](C[C@H](C)CCC)[NH2+]C ZINC000086315195 572917115 /nfs/dbraw/zinc/91/71/15/572917115.db2.gz NNZHZIMEWYNRIN-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](C[C@H](C)CCC)[NH2+]C ZINC000086315196 572916466 /nfs/dbraw/zinc/91/64/66/572916466.db2.gz NNZHZIMEWYNRIN-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@@H](CCCC)[NH2+]CC ZINC000086315317 572916469 /nfs/dbraw/zinc/91/64/69/572916469.db2.gz OLKISAJEAYBBTO-GFCCVEGCSA-N 1 0 185.355 3.735 10 0 AHAERO CCCCC[C@H](CCCC)[NH2+]CC ZINC000086315318 572915948 /nfs/dbraw/zinc/91/59/48/572915948.db2.gz OLKISAJEAYBBTO-LBPRGKRZSA-N 1 0 185.355 3.735 10 0 AHAERO CCCC[C@@H](C[C@@H](C)CC)[NH2+]CC ZINC000086315323 573360648 /nfs/dbraw/zinc/36/06/48/573360648.db2.gz RMICQMODQHKHRF-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](C[C@@H](C)CC)[NH2+]CC ZINC000086315324 572916512 /nfs/dbraw/zinc/91/65/12/572916512.db2.gz RMICQMODQHKHRF-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](C[C@H](C)CC)[NH2+]CC ZINC000086315325 572917106 /nfs/dbraw/zinc/91/71/06/572917106.db2.gz RMICQMODQHKHRF-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](C[C@H](C)CC)[NH2+]CC ZINC000086315326 572916861 /nfs/dbraw/zinc/91/68/61/572916861.db2.gz RMICQMODQHKHRF-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CC1CCCC1)[NH2+]CC ZINC000086315329 572915760 /nfs/dbraw/zinc/91/57/60/572915760.db2.gz JWJZMJMJIRTKAL-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H](CC1CCCC1)[NH2+]CC ZINC000086315330 572916949 /nfs/dbraw/zinc/91/69/49/572916949.db2.gz JWJZMJMJIRTKAL-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H](CCC(C)(C)C)[NH2+]CC ZINC000086315371 572915578 /nfs/dbraw/zinc/91/55/78/572915578.db2.gz QQVLQEMAOSNKFD-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CCC(C)(C)C)[NH2+]CC ZINC000086315372 572915694 /nfs/dbraw/zinc/91/56/94/572915694.db2.gz QQVLQEMAOSNKFD-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](C[C@@H](C)CCC)[NH2+]CC ZINC000086315387 572917073 /nfs/dbraw/zinc/91/70/73/572917073.db2.gz XTRKZOAXCZFZJZ-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](C[C@@H](C)CCC)[NH2+]CC ZINC000086315388 572917238 /nfs/dbraw/zinc/91/72/38/572917238.db2.gz XTRKZOAXCZFZJZ-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](C[C@H](C)CCC)[NH2+]CC ZINC000086315389 572916415 /nfs/dbraw/zinc/91/64/15/572916415.db2.gz XTRKZOAXCZFZJZ-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](C[C@H](C)CCC)[NH2+]CC ZINC000086315390 572915311 /nfs/dbraw/zinc/91/53/11/572915311.db2.gz XTRKZOAXCZFZJZ-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](C[C@@H](C)CC)[NH2+]CCC ZINC000086315488 572915995 /nfs/dbraw/zinc/91/59/95/572915995.db2.gz NBQJWRXWGLVTJR-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](C[C@@H](C)CC)[NH2+]CCC ZINC000086315489 572916758 /nfs/dbraw/zinc/91/67/58/572916758.db2.gz NBQJWRXWGLVTJR-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](C[C@H](C)CC)[NH2+]CCC ZINC000086315490 572915530 /nfs/dbraw/zinc/91/55/30/572915530.db2.gz NBQJWRXWGLVTJR-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](C[C@H](C)CC)[NH2+]CCC ZINC000086315491 572916623 /nfs/dbraw/zinc/91/66/23/572916623.db2.gz NBQJWRXWGLVTJR-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](C=C(C)C)[NH2+]CCC ZINC000086315542 572916921 /nfs/dbraw/zinc/91/69/21/572916921.db2.gz KZOYJZVPVWLUEK-LBPRGKRZSA-N 1 0 183.339 3.511 10 0 AHAERO CCCC[C@H](C=C(C)C)[NH2+]CCC ZINC000086315543 572915278 /nfs/dbraw/zinc/91/52/78/572915278.db2.gz KZOYJZVPVWLUEK-GFCCVEGCSA-N 1 0 183.339 3.511 10 0 AHAERO CCCC[C@@H](CC1CCC1)[NH2+]CCC ZINC000086315548 572915928 /nfs/dbraw/zinc/91/59/28/572915928.db2.gz PQAMBCKVMZDWOZ-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H](CC1CCC1)[NH2+]CCC ZINC000086315549 572916545 /nfs/dbraw/zinc/91/65/45/572916545.db2.gz PQAMBCKVMZDWOZ-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC(CCCC)[NH2+]CCC ZINC000086315554 572915534 /nfs/dbraw/zinc/91/55/34/572915534.db2.gz SLXVHRSYSWXZFF-UHFFFAOYSA-N 1 0 185.355 3.735 10 0 AHAERO CCCC[C@@H](CCC1CC1)[NH2+]CCC ZINC000086315565 572916246 /nfs/dbraw/zinc/91/62/46/572916246.db2.gz WABYQPZJQYBQRJ-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H](CCC1CC1)[NH2+]CCC ZINC000086315566 572917102 /nfs/dbraw/zinc/91/71/02/572917102.db2.gz WABYQPZJQYBQRJ-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H](CCC(C)C)[NH2+]C(C)C ZINC000086315583 572916000 /nfs/dbraw/zinc/91/60/00/572916000.db2.gz TYBYVOPBISLCAE-ZDUSSCGKSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H](CCC(C)C)[NH2+]C(C)C ZINC000086315584 572916918 /nfs/dbraw/zinc/91/69/18/572916918.db2.gz TYBYVOPBISLCAE-CYBMUJFWSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@@H](C[C@@H](C)CC)[NH2+]C(C)C ZINC000086315595 572915785 /nfs/dbraw/zinc/91/57/85/572915785.db2.gz ZWOZMUATYRTOIR-STQMWFEESA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H](C[C@@H](C)CC)[NH2+]C(C)C ZINC000086315596 572916141 /nfs/dbraw/zinc/91/61/41/572916141.db2.gz ZWOZMUATYRTOIR-QWHCGFSZSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@@H](C[C@H](C)CC)[NH2+]C(C)C ZINC000086315597 572917141 /nfs/dbraw/zinc/91/71/41/572917141.db2.gz ZWOZMUATYRTOIR-OLZOCXBDSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H](C[C@H](C)CC)[NH2+]C(C)C ZINC000086315598 573362006 /nfs/dbraw/zinc/36/20/06/573362006.db2.gz ZWOZMUATYRTOIR-CHWSQXEVSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@H]([NH2+]C(C)C)C1CCCC1 ZINC000086315599 572917086 /nfs/dbraw/zinc/91/70/86/572917086.db2.gz VCJFRXBUGJECQK-ZDUSSCGKSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@@H]([NH2+]C(C)C)C1CCCC1 ZINC000086315600 572916969 /nfs/dbraw/zinc/91/69/69/572916969.db2.gz VCJFRXBUGJECQK-CYBMUJFWSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@@H](C=C(C)C)[NH2+]C(C)C ZINC000086315675 573362283 /nfs/dbraw/zinc/36/22/83/573362283.db2.gz MRPBOZIHTIAINF-LBPRGKRZSA-N 1 0 183.339 3.509 10 0 AHAERO CCCC[C@H](C=C(C)C)[NH2+]C(C)C ZINC000086315676 572916611 /nfs/dbraw/zinc/91/66/11/572916611.db2.gz MRPBOZIHTIAINF-GFCCVEGCSA-N 1 0 183.339 3.509 10 0 AHAERO CCCC[C@H]([NH2+]C(C)C)C(C)(C)C ZINC000086315677 572917253 /nfs/dbraw/zinc/91/72/53/572917253.db2.gz ZQCPSXDVKHATTR-NSHDSACASA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@@H]([NH2+]C(C)C)C(C)(C)C ZINC000086315678 572917061 /nfs/dbraw/zinc/91/70/61/572917061.db2.gz ZQCPSXDVKHATTR-LLVKDONJSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@@H](CC1CCC1)[NH2+]C(C)C ZINC000086322463 572917796 /nfs/dbraw/zinc/91/77/96/572917796.db2.gz FJALUSJYPLWDLI-ZDUSSCGKSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H](CC1CCC1)[NH2+]C(C)C ZINC000086322465 572919428 /nfs/dbraw/zinc/91/94/28/572919428.db2.gz FJALUSJYPLWDLI-CYBMUJFWSA-N 1 0 197.366 3.733 10 0 AHAERO CCCCC(CCCC)[NH2+]C(C)C ZINC000086322499 572919365 /nfs/dbraw/zinc/91/93/65/572919365.db2.gz JTYFXHCJMAZGRM-UHFFFAOYSA-N 1 0 185.355 3.733 10 0 AHAERO CCCC[C@@H](CCC1CC1)[NH2+]C(C)C ZINC000086322540 572917724 /nfs/dbraw/zinc/91/77/24/572917724.db2.gz WEKVHWVKHIEECD-ZDUSSCGKSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H](CCC1CC1)[NH2+]C(C)C ZINC000086322542 572918144 /nfs/dbraw/zinc/91/81/44/572918144.db2.gz WEKVHWVKHIEECD-CYBMUJFWSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H]([NH2+]C(C)C)c1ccoc1 ZINC000086322568 572919059 /nfs/dbraw/zinc/91/90/59/572919059.db2.gz ZOPCAFYDACIFEO-LBPRGKRZSA-N 1 0 195.306 3.509 10 0 AHAERO CCCC[C@@H]([NH2+]C(C)C)c1ccoc1 ZINC000086322573 572918166 /nfs/dbraw/zinc/91/81/66/572918166.db2.gz ZOPCAFYDACIFEO-GFCCVEGCSA-N 1 0 195.306 3.509 10 0 AHAERO CCCC[C@H]([NH3+])C1C[C@@H](C)C[C@H](C)C1 ZINC000086322724 573367441 /nfs/dbraw/zinc/36/74/41/573367441.db2.gz BNBRFHVAQMIDCH-GVXVVHGQSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@H]([NH3+])[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000086322793 572917748 /nfs/dbraw/zinc/91/77/48/572917748.db2.gz NCTNRGNPVMGUKA-LOWDOPEQSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@H]([NH3+])[C@@H]1CCCC[C@@H]1CC ZINC000086323053 572919548 /nfs/dbraw/zinc/91/95/48/572919548.db2.gz AVEUQXGYBNOJTR-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H]([NH3+])[C@H]1CCCC[C@@H]1CC ZINC000086323059 572919418 /nfs/dbraw/zinc/91/94/18/572919418.db2.gz AVEUQXGYBNOJTR-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCC1CCC([NH3+])([C@@H](C)CC)CC1 ZINC000086388568 572929842 /nfs/dbraw/zinc/92/98/42/572929842.db2.gz UGHVZUWLUOFDID-HIFPTAJRSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC1CCC([NH3+])([C@H](C)CC)CC1 ZINC000086388569 572930048 /nfs/dbraw/zinc/93/00/48/572930048.db2.gz UGHVZUWLUOFDID-PNESKVBLSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)[C@]1([NH3+])C[C@H](C)CC(C)(C)C1 ZINC000086388573 573396081 /nfs/dbraw/zinc/39/60/81/573396081.db2.gz QCJGGPBIXHEUJZ-MDZLAQPJSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)[C@@]1([NH3+])C[C@H](C)CC(C)(C)C1 ZINC000086388578 573395412 /nfs/dbraw/zinc/39/54/12/573395412.db2.gz QCJGGPBIXHEUJZ-NTZNESFSSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](C)C1([NH3+])CCC(C(C)C)CC1 ZINC000086388690 573394513 /nfs/dbraw/zinc/39/45/13/573394513.db2.gz PHUPCFXRWBDHEM-PNESKVBLSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C1([NH3+])CCC(C(C)C)CC1 ZINC000086388691 573395284 /nfs/dbraw/zinc/39/52/84/573395284.db2.gz PHUPCFXRWBDHEM-HIFPTAJRSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)[C@@]1([NH3+])CCC[C@@H](CC)CC1 ZINC000086388810 573399068 /nfs/dbraw/zinc/39/90/68/573399068.db2.gz BKDOQQOKYYULNR-YNEHKIRRSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)[C@]1([NH3+])CCC[C@@H](CC)CC1 ZINC000086388814 573401086 /nfs/dbraw/zinc/40/10/86/573401086.db2.gz BKDOQQOKYYULNR-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)[C@]1([NH3+])CCCC(C)(C)CC1 ZINC000086388817 573399916 /nfs/dbraw/zinc/39/99/16/573399916.db2.gz FEWYPKAGPKKNRZ-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)[C@]1([NH3+])CCCC(C)(C)CC1 ZINC000086388819 573402710 /nfs/dbraw/zinc/40/27/10/573402710.db2.gz FEWYPKAGPKKNRZ-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)[C@@]1([NH3+])CCCC(C)(C)CC1 ZINC000086388821 573398747 /nfs/dbraw/zinc/39/87/47/573398747.db2.gz FEWYPKAGPKKNRZ-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)[C@@]1([NH3+])CCCC(C)(C)CC1 ZINC000086388823 573402717 /nfs/dbraw/zinc/40/27/17/573402717.db2.gz FEWYPKAGPKKNRZ-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[NH2+][C@@H](CC(C)(C)C)[C@@H](C)CC ZINC000086391382 572928329 /nfs/dbraw/zinc/92/83/29/572928329.db2.gz LLDWRYJXVAGVBE-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CC(C)(C)C)[C@@H](C)CC ZINC000086391385 572930059 /nfs/dbraw/zinc/93/00/59/572930059.db2.gz LLDWRYJXVAGVBE-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](CC(C)(C)C)[C@H](C)CC ZINC000086391387 572929941 /nfs/dbraw/zinc/92/99/41/572929941.db2.gz LLDWRYJXVAGVBE-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CC(C)(C)C)[C@H](C)CC ZINC000086391389 572929503 /nfs/dbraw/zinc/92/95/03/572929503.db2.gz LLDWRYJXVAGVBE-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)[C@H]([NH3+])C1CCC(C)(C)CC1 ZINC000086392034 573399948 /nfs/dbraw/zinc/39/99/48/573399948.db2.gz DZPHNGYJOGTRJH-PWSUYJOCSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)[C@H]([NH3+])C1CCC(C)(C)CC1 ZINC000086392035 573401215 /nfs/dbraw/zinc/40/12/15/573401215.db2.gz DZPHNGYJOGTRJH-JQWIXIFHSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](C)[C@@H]([NH3+])C1CCC(C)(C)CC1 ZINC000086392037 573400030 /nfs/dbraw/zinc/40/00/30/573400030.db2.gz DZPHNGYJOGTRJH-ZYHUDNBSSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)[C@@H]([NH3+])C1CCC(C)(C)CC1 ZINC000086392040 573400419 /nfs/dbraw/zinc/40/04/19/573400419.db2.gz DZPHNGYJOGTRJH-CMPLNLGQSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](C)[C@H]([NH2+]C)C1CCCCCC1 ZINC000086392063 572928593 /nfs/dbraw/zinc/92/85/93/572928593.db2.gz YEMYVSSYBRJMEL-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@H]([NH2+]C)C1CCCCCC1 ZINC000086392065 572928318 /nfs/dbraw/zinc/92/83/18/572928318.db2.gz YEMYVSSYBRJMEL-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)[C@@H]([NH2+]C)C1CCCCCC1 ZINC000086392066 572929782 /nfs/dbraw/zinc/92/97/82/572929782.db2.gz YEMYVSSYBRJMEL-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@@H]([NH2+]C)C1CCCCCC1 ZINC000086392069 572928287 /nfs/dbraw/zinc/92/82/87/572928287.db2.gz YEMYVSSYBRJMEL-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@]1([C@@H](C)CC)CCCCC[NH2+]1 ZINC000086392952 572930713 /nfs/dbraw/zinc/93/07/13/572930713.db2.gz JLMPKPLONICCEQ-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@]1([C@@H](C)CC)CCCCC[NH2+]1 ZINC000086392953 572931034 /nfs/dbraw/zinc/93/10/34/572931034.db2.gz JLMPKPLONICCEQ-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@]1([C@H](C)CC)CCCCC[NH2+]1 ZINC000086392957 572931803 /nfs/dbraw/zinc/93/18/03/572931803.db2.gz JLMPKPLONICCEQ-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@]1([C@H](C)CC)CCCCC[NH2+]1 ZINC000086392959 572932582 /nfs/dbraw/zinc/93/25/82/572932582.db2.gz JLMPKPLONICCEQ-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@H](C)[C@]1(C(C)C)CCCCC[NH2+]1 ZINC000086392961 573401139 /nfs/dbraw/zinc/40/11/39/573401139.db2.gz QFVWKZWWFSGUEA-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@]1(C(C)C)CCCCC[NH2+]1 ZINC000086392963 573399909 /nfs/dbraw/zinc/39/99/09/573399909.db2.gz QFVWKZWWFSGUEA-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)[C@@]1(C(C)C)CCCCC[NH2+]1 ZINC000086392964 573399457 /nfs/dbraw/zinc/39/94/57/573399457.db2.gz QFVWKZWWFSGUEA-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@@]1(C(C)C)CCCCC[NH2+]1 ZINC000086392965 573399190 /nfs/dbraw/zinc/39/91/90/573399190.db2.gz QFVWKZWWFSGUEA-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]([NH2+]C(C)C)[C@@H](C)CC ZINC000086393007 572931755 /nfs/dbraw/zinc/93/17/55/572931755.db2.gz XANRJCIYESGEON-RYUDHWBXSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@@H]([NH2+]C(C)C)[C@@H](C)CC ZINC000086393008 572931029 /nfs/dbraw/zinc/93/10/29/572931029.db2.gz XANRJCIYESGEON-NWDGAFQWSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@H]([NH2+]C(C)C)[C@H](C)CC ZINC000086393011 572930996 /nfs/dbraw/zinc/93/09/96/572930996.db2.gz XANRJCIYESGEON-NEPJUHHUSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@@H]([NH2+]C(C)C)[C@H](C)CC ZINC000086393012 572930473 /nfs/dbraw/zinc/93/04/73/572930473.db2.gz XANRJCIYESGEON-VXGBXAGGSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H](C)CC ZINC000086393503 572931451 /nfs/dbraw/zinc/93/14/51/572931451.db2.gz VJHZXHFDRIINFJ-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H](C)CC ZINC000086393506 572930617 /nfs/dbraw/zinc/93/06/17/572930617.db2.gz VJHZXHFDRIINFJ-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@H]([C@@H](C)CC)C1 ZINC000086394084 572930291 /nfs/dbraw/zinc/93/02/91/572930291.db2.gz BINDHLSTQPFWFS-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@@H]([C@@H](C)CC)C1 ZINC000086394088 572931038 /nfs/dbraw/zinc/93/10/38/572931038.db2.gz BINDHLSTQPFWFS-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)CC(C)(C)[C@@H](C)CC ZINC000086394170 572932618 /nfs/dbraw/zinc/93/26/18/572932618.db2.gz JWTGPJSMBDZDCB-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)CC(C)(C)[C@@H](C)CC ZINC000086394172 572933042 /nfs/dbraw/zinc/93/30/42/572933042.db2.gz JWTGPJSMBDZDCB-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C)CC(C)(C)[C@H](C)CC ZINC000086394174 572930459 /nfs/dbraw/zinc/93/04/59/572930459.db2.gz JWTGPJSMBDZDCB-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)CC(C)(C)[C@H](C)CC ZINC000086394177 572931594 /nfs/dbraw/zinc/93/15/94/572931594.db2.gz JWTGPJSMBDZDCB-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCCCC1(CC(C)C)C[NH2+]C1 ZINC000086395478 572930658 /nfs/dbraw/zinc/93/06/58/572930658.db2.gz IVDORCBZGGMCBW-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@H](CC)CC1(CC)C[NH2+]C1 ZINC000086396078 572930783 /nfs/dbraw/zinc/93/07/83/572930783.db2.gz YTCGCCCNXABYHF-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H](CC)CC1(CC)C[NH2+]C1 ZINC000086396081 572932308 /nfs/dbraw/zinc/93/23/08/572932308.db2.gz YTCGCCCNXABYHF-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC(=[NH2+])N(CC(C)C)C(CC)CC ZINC000086453710 572940775 /nfs/dbraw/zinc/94/07/75/572940775.db2.gz RSZLCARNZYIUPY-UHFFFAOYSA-N 1 0 198.354 3.520 10 0 AHAERO CCCC[C@@H](CC)C/C(C)=C/CC[NH3+] ZINC000086570689 572955902 /nfs/dbraw/zinc/95/59/02/572955902.db2.gz URCUSWYARQJKMY-YQCJOKCJSA-N 1 0 197.366 3.888 10 0 AHAERO CCCC[C@H](CC)C/C(C)=C/CC[NH3+] ZINC000086570690 572956347 /nfs/dbraw/zinc/95/63/47/572956347.db2.gz URCUSWYARQJKMY-RPHSKFLZSA-N 1 0 197.366 3.888 10 0 AHAERO CCCC[C@@H](CC)C/C=C/CC[NH2+]C ZINC000086571057 572956132 /nfs/dbraw/zinc/95/61/32/572956132.db2.gz ZUQYFYZQNRDMGI-SBDDDAINSA-N 1 0 197.366 3.759 10 0 AHAERO CCCC[C@H](CC)C/C=C/CC[NH2+]C ZINC000086571058 572956240 /nfs/dbraw/zinc/95/62/40/572956240.db2.gz ZUQYFYZQNRDMGI-GWJCSSMESA-N 1 0 197.366 3.759 10 0 AHAERO CC[NH2+]CC/C=C/CC1CCCCC1 ZINC000086571423 572956742 /nfs/dbraw/zinc/95/67/42/572956742.db2.gz AIQAZSGTQOOPBU-QPJJXVBHSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]CC/C=C/CCC(C)(C)C ZINC000086571463 573490441 /nfs/dbraw/zinc/49/04/41/573490441.db2.gz RGVFTFISPDMLNX-VOTSOKGWSA-N 1 0 197.366 3.759 10 0 AHAERO CCCCC/C=C/CC[NH2+]CCC ZINC000086571473 572957709 /nfs/dbraw/zinc/95/77/09/572957709.db2.gz OHSFEHLMOITVIG-CMDGGOBGSA-N 1 0 183.339 3.513 10 0 AHAERO CCC[NH2+]CC/C=C/C1CCCCC1 ZINC000086571477 572957796 /nfs/dbraw/zinc/95/77/96/572957796.db2.gz VLQYEFUPOTYHSS-UXBLZVDNSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]CC/C=C/CC1CCCC1 ZINC000086571487 572957554 /nfs/dbraw/zinc/95/75/54/572957554.db2.gz LTTLMOYDXFYGPI-ONEGZZNKSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]CC/C=C/C[C@H](C)CCC ZINC000086571576 572957917 /nfs/dbraw/zinc/95/79/17/572957917.db2.gz UGLRORKUDPWQFA-KTRBRXNASA-N 1 0 197.366 3.759 10 0 AHAERO CCC[NH2+]CC/C=C/C[C@@H](C)CCC ZINC000086571577 572956992 /nfs/dbraw/zinc/95/69/92/572956992.db2.gz UGLRORKUDPWQFA-YBJDMEARSA-N 1 0 197.366 3.759 10 0 AHAERO CC(C)[NH2+]CC/C=C/CCC(C)(C)C ZINC000086571634 572957629 /nfs/dbraw/zinc/95/76/29/572957629.db2.gz GXNJBHXSMFHMIH-VOTSOKGWSA-N 1 0 197.366 3.757 10 0 AHAERO CCCCC/C=C/CC[NH2+]C(C)C ZINC000086571644 572957542 /nfs/dbraw/zinc/95/75/42/572957542.db2.gz WFVMGEUPXJEZRZ-CMDGGOBGSA-N 1 0 183.339 3.511 10 0 AHAERO CC(C)[NH2+]CC/C=C/C1CCCCC1 ZINC000086571648 573490755 /nfs/dbraw/zinc/49/07/55/573490755.db2.gz CNSLPRPYCXNRKM-UXBLZVDNSA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)[NH2+]CC/C=C/CC1CCCC1 ZINC000086571655 572957465 /nfs/dbraw/zinc/95/74/65/572957465.db2.gz BTRPNMMTSGFUEK-ONEGZZNKSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[C@@H](C)C/C=C/CC[NH2+]C(C)C ZINC000086571735 572956835 /nfs/dbraw/zinc/95/68/35/572956835.db2.gz MKVCAEZUXZSVCY-KTRBRXNASA-N 1 0 197.366 3.757 10 0 AHAERO CCC[C@H](C)C/C=C/CC[NH2+]C(C)C ZINC000086571736 572957700 /nfs/dbraw/zinc/95/77/00/572957700.db2.gz MKVCAEZUXZSVCY-YBJDMEARSA-N 1 0 197.366 3.757 10 0 AHAERO CC(C)(C)CC/C=C/CC[NH2+]C1CC1 ZINC000086571793 573491042 /nfs/dbraw/zinc/49/10/42/573491042.db2.gz BTPIFESZRGMAQP-SNAWJCMRSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[C@@H](C)C/C=C/CC[NH2+]C1CC1 ZINC000086571891 572957251 /nfs/dbraw/zinc/95/72/51/572957251.db2.gz XQJSKPOHESBOIG-ZYOFXKKJSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[C@H](C)C/C=C/CC[NH2+]C1CC1 ZINC000086571892 572957434 /nfs/dbraw/zinc/95/74/34/572957434.db2.gz XQJSKPOHESBOIG-ITKZLYELSA-N 1 0 195.350 3.511 10 0 AHAERO CCCCC/C=C/CC[NH2+]C(C)(C)C ZINC000086571950 572956938 /nfs/dbraw/zinc/95/69/38/572956938.db2.gz QKOKSMRFNZUHPO-MDZDMXLPSA-N 1 0 197.366 3.901 10 0 AHAERO CC(C)(C)[NH2+]CC/C=C/C1CCCC1 ZINC000086571955 572956869 /nfs/dbraw/zinc/95/68/69/572956869.db2.gz KTXOXFVRQQFWAQ-UXBLZVDNSA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)(C)[NH2+]CC/C=C/CC1CCC1 ZINC000086571965 572957241 /nfs/dbraw/zinc/95/72/41/572957241.db2.gz IZPYIYCTISCWCT-SNAWJCMRSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@@H](C)C/C=C/CC[NH2+]C(C)(C)C ZINC000086571985 572957213 /nfs/dbraw/zinc/95/72/13/572957213.db2.gz JCLMIKAVFPRVCG-ABZNLYFFSA-N 1 0 197.366 3.757 10 0 AHAERO CC[C@H](C)C/C=C/CC[NH2+]C(C)(C)C ZINC000086571986 572957027 /nfs/dbraw/zinc/95/70/27/572957027.db2.gz JCLMIKAVFPRVCG-GUOLPTJISA-N 1 0 197.366 3.757 10 0 AHAERO CC(C)(C)[NH2+]CC/C=C/CCC1CC1 ZINC000086571992 572956752 /nfs/dbraw/zinc/95/67/52/572956752.db2.gz GDPBCTJJKZSEPO-SNAWJCMRSA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)CC/C=C/CC[NH2+]C(C)(C)C ZINC000086571994 572957548 /nfs/dbraw/zinc/95/75/48/572957548.db2.gz RFMNBJJVWIAOMX-VOTSOKGWSA-N 1 0 197.366 3.757 10 0 AHAERO CCCCC/C=C/CC[NH2+]CC(C)C ZINC000086572049 572956948 /nfs/dbraw/zinc/95/69/48/572956948.db2.gz FXCKFJRJFKZMLV-CMDGGOBGSA-N 1 0 197.366 3.759 10 0 AHAERO CC[C@@H](C)C/C=C/CC[NH2+]CC(C)C ZINC000086572085 572957324 /nfs/dbraw/zinc/95/73/24/572957324.db2.gz OCFLRZFCQGUSRN-KTRBRXNASA-N 1 0 197.366 3.615 10 0 AHAERO CC[C@H](C)C/C=C/CC[NH2+]CC(C)C ZINC000086572086 572956925 /nfs/dbraw/zinc/95/69/25/572956925.db2.gz OCFLRZFCQGUSRN-YBJDMEARSA-N 1 0 197.366 3.615 10 0 AHAERO CC(C)CC/C=C/CC[NH2+]CC(C)C ZINC000086572094 572957790 /nfs/dbraw/zinc/95/77/90/572957790.db2.gz SJXXXCYVYWZZRY-AATRIKPKSA-N 1 0 197.366 3.615 10 0 AHAERO CCCCCC/C(C)=C/CC[NH2+]C ZINC000086572314 572957486 /nfs/dbraw/zinc/95/74/86/572957486.db2.gz IUKZIMSAPDSXCH-ZRDIBKRKSA-N 1 0 183.339 3.513 10 0 AHAERO C[NH2+]CC/C=C(/C)CC1CCCCC1 ZINC000086572420 572957267 /nfs/dbraw/zinc/95/72/67/572957267.db2.gz GBVIGILXOMDKHK-GHXNOFRVSA-N 1 0 195.350 3.513 10 0 AHAERO CC[NH2+]CC/C=C(/C)CCC(C)(C)C ZINC000086572460 572957772 /nfs/dbraw/zinc/95/77/72/572957772.db2.gz VFUGEJOOHOZTQP-WQLSENKSSA-N 1 0 197.366 3.759 10 0 AHAERO CCCCC/C(C)=C/CC[NH2+]CC ZINC000086572470 572957125 /nfs/dbraw/zinc/95/71/25/572957125.db2.gz FRLHMCIGKWNVAX-ZRDIBKRKSA-N 1 0 183.339 3.513 10 0 AHAERO CC[NH2+]CC/C=C(/C)C1CCCCC1 ZINC000086572474 572957364 /nfs/dbraw/zinc/95/73/64/572957364.db2.gz CTSYICKAPAKPSA-WQLSENKSSA-N 1 0 195.350 3.513 10 0 AHAERO CC[NH2+]CC/C=C(/C)CC1CCCC1 ZINC000086572485 572956932 /nfs/dbraw/zinc/95/69/32/572956932.db2.gz WZCSAQJRWNEMGK-GHXNOFRVSA-N 1 0 195.350 3.513 10 0 AHAERO CCCCCC/C(C)=C/CC[NH2+]CC ZINC000086572507 572957478 /nfs/dbraw/zinc/95/74/78/572957478.db2.gz MJQYNYLBMPXLFK-ACCUITESSA-N 1 0 197.366 3.903 10 0 AHAERO CCC[C@@H](C)C/C(C)=C/CC[NH2+]CC ZINC000086572575 572957579 /nfs/dbraw/zinc/95/75/79/572957579.db2.gz UNMYZIKGOGIPFU-AUWXEVLLSA-N 1 0 197.366 3.759 10 0 AHAERO CCC[C@H](C)C/C(C)=C/CC[NH2+]CC ZINC000086572576 572957889 /nfs/dbraw/zinc/95/78/89/572957889.db2.gz UNMYZIKGOGIPFU-OQZOHAQUSA-N 1 0 197.366 3.759 10 0 AHAERO CCCC/C(C)=C/CC[NH2+]CCC ZINC000086572620 572957504 /nfs/dbraw/zinc/95/75/04/572957504.db2.gz ATRGOJLZIDGSRO-FMIVXFBMSA-N 1 0 183.339 3.513 10 0 AHAERO CCCCC/C(C)=C/CC[NH2+]CCC ZINC000086572636 572957525 /nfs/dbraw/zinc/95/75/25/572957525.db2.gz AJJMOPBHCVJNOQ-JLHYYAGUSA-N 1 0 197.366 3.903 10 0 AHAERO CCC[NH2+]CC/C=C(/C)C1CCCC1 ZINC000086572642 572957906 /nfs/dbraw/zinc/95/79/06/572957906.db2.gz QJIOAWVYEIMXPA-GHXNOFRVSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]CC/C=C(/C)CC1CCC1 ZINC000086572652 572957238 /nfs/dbraw/zinc/95/72/38/572957238.db2.gz ZOBWJPVVTXOLJB-SDQBBNPISA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]CC/C=C(/C)C[C@@H](C)CC ZINC000086572674 572957513 /nfs/dbraw/zinc/95/75/13/572957513.db2.gz DNVBNLOQVOLQHV-OEMOTLHWSA-N 1 0 197.366 3.759 10 0 AHAERO CCC[NH2+]CC/C=C(/C)C[C@H](C)CC ZINC000086572675 572957606 /nfs/dbraw/zinc/95/76/06/572957606.db2.gz DNVBNLOQVOLQHV-YFBAIUBQSA-N 1 0 197.366 3.759 10 0 AHAERO CCC[NH2+]CC/C=C(/C)CCC1CC1 ZINC000086572681 572957659 /nfs/dbraw/zinc/95/76/59/572957659.db2.gz RIBXROYXORKQKJ-XGICHPGQSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]CC/C=C(/C)CCC(C)C ZINC000086572683 572957390 /nfs/dbraw/zinc/95/73/90/572957390.db2.gz OSKCKAXIMCPBET-QPEQYQDCSA-N 1 0 197.366 3.759 10 0 AHAERO CCCC/C(C)=C/CC[NH2+]C(C)C ZINC000086572722 572957206 /nfs/dbraw/zinc/95/72/06/572957206.db2.gz QHGFVWOIMZRBTQ-FMIVXFBMSA-N 1 0 183.339 3.511 10 0 AHAERO CCCCC/C(C)=C/CC[NH2+]C(C)C ZINC000086572737 572957156 /nfs/dbraw/zinc/95/71/56/572957156.db2.gz IVMYRCZLHOMCQT-JLHYYAGUSA-N 1 0 197.366 3.901 10 0 AHAERO C/C(=C/CC[NH2+]C(C)C)C1CCCC1 ZINC000086572743 572956897 /nfs/dbraw/zinc/95/68/97/572956897.db2.gz UDJGAYZVWAHBGI-GHXNOFRVSA-N 1 0 195.350 3.511 10 0 AHAERO C/C(=C/CC[NH2+]C(C)C)CC1CCC1 ZINC000086572753 572957677 /nfs/dbraw/zinc/95/76/77/572957677.db2.gz KTMIUWVTNTWKQO-SDQBBNPISA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@@H](C)C/C(C)=C/CC[NH2+]C(C)C ZINC000086572775 573489961 /nfs/dbraw/zinc/48/99/61/573489961.db2.gz XSZNTFZAJOSSMD-FMNNIJNLSA-N 1 0 197.366 3.757 10 0 AHAERO CC[C@H](C)C/C(C)=C/CC[NH2+]C(C)C ZINC000086572776 572956931 /nfs/dbraw/zinc/95/69/31/572956931.db2.gz XSZNTFZAJOSSMD-OXBCTQFSSA-N 1 0 197.366 3.757 10 0 AHAERO C/C(=C/CC[NH2+]C(C)C)CCC1CC1 ZINC000086572782 572957800 /nfs/dbraw/zinc/95/78/00/572957800.db2.gz RGGOSTFORKCWNK-XGICHPGQSA-N 1 0 195.350 3.511 10 0 AHAERO C/C(=C\CC[NH2+]C(C)C)CCC(C)C ZINC000086572784 572957642 /nfs/dbraw/zinc/95/76/42/572957642.db2.gz LFJGYBKCHIRYBR-NTUHNPAUSA-N 1 0 197.366 3.757 10 0 AHAERO CCCCC/C(C)=C/CC[NH2+]C1CC1 ZINC000086572838 572957114 /nfs/dbraw/zinc/95/71/14/572957114.db2.gz KGYWFTGEIBOXDH-XYOKQWHBSA-N 1 0 195.350 3.655 10 0 AHAERO CC[C@@H](C)C/C(C)=C/CC[NH2+]C1CC1 ZINC000086572874 572957350 /nfs/dbraw/zinc/95/73/50/572957350.db2.gz FRSXKBZLHVWUSV-GGQLTLKSSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H](C)C/C(C)=C/CC[NH2+]C1CC1 ZINC000086572875 572957052 /nfs/dbraw/zinc/95/70/52/572957052.db2.gz FRSXKBZLHVWUSV-DREKTBMASA-N 1 0 195.350 3.511 10 0 AHAERO C/C(=C\CC[NH2+]C1CC1)CCC(C)C ZINC000086572883 572957459 /nfs/dbraw/zinc/95/74/59/572957459.db2.gz WGVNYOMOCGWYKS-LFYBBSHMSA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)=C/C(C)=C/CC[NH2+]C(C)(C)C ZINC000086572920 572956846 /nfs/dbraw/zinc/95/68/46/572956846.db2.gz CPPVYBCDWKVWGK-XYOKQWHBSA-N 1 0 195.350 3.677 10 0 AHAERO CCCC/C(C)=C/CC[NH2+]C(C)(C)C ZINC000086572922 572956955 /nfs/dbraw/zinc/95/69/55/572956955.db2.gz RDPDOIPNXKAEHG-ZRDIBKRKSA-N 1 0 197.366 3.901 10 0 AHAERO C/C(=C\CC[NH2+]C(C)(C)C)CC(C)C ZINC000086572923 572957321 /nfs/dbraw/zinc/95/73/21/572957321.db2.gz PTAVSHUKZSIWIW-XYOKQWHBSA-N 1 0 197.366 3.757 10 0 AHAERO C/C(=C\CC[NH2+]C(C)(C)C)C(C)(C)C ZINC000086572945 572957466 /nfs/dbraw/zinc/95/74/66/572957466.db2.gz OVVIPADSGHTKCR-PKNBQFBNSA-N 1 0 197.366 3.757 10 0 AHAERO CCC/C(C)=C/CC[NH2+]C(C)(C)C ZINC000086572958 572957417 /nfs/dbraw/zinc/95/74/17/572957417.db2.gz RDXUPQWCZQPIED-PKNBQFBNSA-N 1 0 183.339 3.511 10 0 AHAERO C/C(=C\CC[NH2+]C(C)(C)C)CC1CC1 ZINC000086572963 572957032 /nfs/dbraw/zinc/95/70/32/572957032.db2.gz CAFPETDJQDTXIY-IZZDOVSWSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@@H](C)/C(C)=C/CC[NH2+]C(C)(C)C ZINC000086572979 572957310 /nfs/dbraw/zinc/95/73/10/572957310.db2.gz DKARHDGGDHGPPH-LWMMSDEHSA-N 1 0 197.366 3.757 10 0 AHAERO CC[C@H](C)/C(C)=C/CC[NH2+]C(C)(C)C ZINC000086572980 572957644 /nfs/dbraw/zinc/95/76/44/572957644.db2.gz DKARHDGGDHGPPH-UTEVDWOZSA-N 1 0 197.366 3.757 10 0 AHAERO CC(C)=C/C(C)=C\CC[NH2+]CC(C)C ZINC000086572984 572957900 /nfs/dbraw/zinc/95/79/00/572957900.db2.gz STFHJLXPNGFMOB-QPEQYQDCSA-N 1 0 195.350 3.535 10 0 AHAERO CCCC/C(C)=C/CC[NH2+]CC(C)C ZINC000086572986 573495655 /nfs/dbraw/zinc/49/56/55/573495655.db2.gz AMIIANGDFKBYQM-UKTHLTGXSA-N 1 0 197.366 3.759 10 0 AHAERO C/C(=C/CC[NH2+]CC(C)C)CC(C)C ZINC000086572987 572956922 /nfs/dbraw/zinc/95/69/22/572956922.db2.gz VGDRNCXSNJTKKR-QPEQYQDCSA-N 1 0 197.366 3.615 10 0 AHAERO C/C(=C/CC[NH2+]CC(C)C)C(C)(C)C ZINC000086573009 572957731 /nfs/dbraw/zinc/95/77/31/572957731.db2.gz SPAYUXNVHCLDIN-WQLSENKSSA-N 1 0 197.366 3.615 10 0 AHAERO CC[C@@H](C)/C(C)=C/CC[NH2+]CC(C)C ZINC000086573043 572957455 /nfs/dbraw/zinc/95/74/55/572957455.db2.gz JLVNPTPESSRDSK-FMNNIJNLSA-N 1 0 197.366 3.615 10 0 AHAERO CC[C@H](C)/C(C)=C/CC[NH2+]CC(C)C ZINC000086573044 572956800 /nfs/dbraw/zinc/95/68/00/572956800.db2.gz JLVNPTPESSRDSK-OXBCTQFSSA-N 1 0 197.366 3.615 10 0 AHAERO CCCCC[NH2+][C@@H]1CCCCC1(C)C ZINC000086842235 572327227 /nfs/dbraw/zinc/32/72/27/572327227.db2.gz FTZJGYULTFMZRW-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[NH2+][C@H]1CCCCC1(C)C ZINC000086842240 572327827 /nfs/dbraw/zinc/32/78/27/572327827.db2.gz FTZJGYULTFMZRW-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC000086842267 572328145 /nfs/dbraw/zinc/32/81/45/572328145.db2.gz SBMXHWSXDKJPSV-VXGBXAGGSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC000086842270 572326732 /nfs/dbraw/zinc/32/67/32/572326732.db2.gz SBMXHWSXDKJPSV-NWDGAFQWSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC000086842273 572327310 /nfs/dbraw/zinc/32/73/10/572327310.db2.gz SBMXHWSXDKJPSV-NEPJUHHUSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC000086842276 572326859 /nfs/dbraw/zinc/32/68/59/572326859.db2.gz SBMXHWSXDKJPSV-RYUDHWBXSA-N 1 0 197.366 3.733 10 0 AHAERO CC(C)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000086842414 572328967 /nfs/dbraw/zinc/32/89/67/572328967.db2.gz WEWHTYUIIGGXSS-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[NH2+][C@H]1CCCCC1(C)C ZINC000086842418 572326973 /nfs/dbraw/zinc/32/69/73/572326973.db2.gz WEWHTYUIIGGXSS-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[NH2+][C@@H]1CCCCC1(C)C ZINC000086845149 572328180 /nfs/dbraw/zinc/32/81/80/572328180.db2.gz AYINPXUJCHUNDI-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[NH2+][C@@H]1CCCCC1(C)C ZINC000086845151 572326789 /nfs/dbraw/zinc/32/67/89/572326789.db2.gz AYINPXUJCHUNDI-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[NH2+][C@H]1CCCCC1(C)C ZINC000086845154 572328948 /nfs/dbraw/zinc/32/89/48/572328948.db2.gz AYINPXUJCHUNDI-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[NH2+][C@H]1CCCCC1(C)C ZINC000086845157 572327430 /nfs/dbraw/zinc/32/74/30/572327430.db2.gz AYINPXUJCHUNDI-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[C@]1([NH3+])CCCCC1(C)C ZINC000086845166 573643530 /nfs/dbraw/zinc/64/35/30/573643530.db2.gz JCGXYTIXBXSLAU-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CC[C@@]1([NH3+])CCCCC1(C)C ZINC000086845169 573642150 /nfs/dbraw/zinc/64/21/50/573642150.db2.gz JCGXYTIXBXSLAU-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@]1([NH3+])CCCCC1(C)C ZINC000086845192 572327354 /nfs/dbraw/zinc/32/73/54/572327354.db2.gz FFZBSWQIXCKNCC-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[C@@]1([NH3+])CCCCC1(C)C ZINC000086845195 572327182 /nfs/dbraw/zinc/32/71/82/572327182.db2.gz FFZBSWQIXCKNCC-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CC[C@@H](C)C[C@]1([NH3+])CCCCC1(C)C ZINC000086845782 573641947 /nfs/dbraw/zinc/64/19/47/573641947.db2.gz DAFHFCYHYGCICT-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])CCCCC1(C)C ZINC000086845783 573643623 /nfs/dbraw/zinc/64/36/23/573643623.db2.gz DAFHFCYHYGCICT-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)C[C@@]1([NH3+])CCCCC1(C)C ZINC000086845787 573646418 /nfs/dbraw/zinc/64/64/18/573646418.db2.gz DAFHFCYHYGCICT-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@@]1([NH3+])CCCCC1(C)C ZINC000086845790 573644571 /nfs/dbraw/zinc/64/45/71/573644571.db2.gz DAFHFCYHYGCICT-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)[NH2+]C[C@H]1CCCCC1(C)C ZINC000086849397 573647902 /nfs/dbraw/zinc/64/79/02/573647902.db2.gz CXYCIJXLRUCZNA-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)[NH2+]C[C@@H]1CCCCC1(C)C ZINC000086849399 573651250 /nfs/dbraw/zinc/65/12/50/573651250.db2.gz CXYCIJXLRUCZNA-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCC1(C)C ZINC000086849478 572327797 /nfs/dbraw/zinc/32/77/97/572327797.db2.gz YWLVXTFLALHBRH-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C)[C@@H]1CCCCC1(C)C ZINC000086849480 572327435 /nfs/dbraw/zinc/32/74/35/572327435.db2.gz YWLVXTFLALHBRH-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)[C@H]1CCCCC1(C)C ZINC000086849481 572328826 /nfs/dbraw/zinc/32/88/26/572328826.db2.gz YWLVXTFLALHBRH-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C)[C@H]1CCCCC1(C)C ZINC000086849484 573648193 /nfs/dbraw/zinc/64/81/93/573648193.db2.gz YWLVXTFLALHBRH-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC)[C@@H]1CCCCC1(C)C ZINC000086849506 572326367 /nfs/dbraw/zinc/32/63/67/572326367.db2.gz UVDPHMQMURAKCI-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@@H]1CCCCC1(C)C ZINC000086849508 572328464 /nfs/dbraw/zinc/32/84/64/572328464.db2.gz UVDPHMQMURAKCI-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC)[C@H]1CCCCC1(C)C ZINC000086849510 572327101 /nfs/dbraw/zinc/32/71/01/572327101.db2.gz UVDPHMQMURAKCI-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)[C@H]1CCCCC1(C)C ZINC000086849512 572327394 /nfs/dbraw/zinc/32/73/94/572327394.db2.gz UVDPHMQMURAKCI-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]([NH2+][C@@H]1CCCC1(C)C)C(C)C ZINC000086856979 572985681 /nfs/dbraw/zinc/98/56/81/572985681.db2.gz MQKPLELAAMLSDT-NWDGAFQWSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+][C@@H]1CCCC1(C)C)C(C)C ZINC000086856980 572985144 /nfs/dbraw/zinc/98/51/44/572985144.db2.gz MQKPLELAAMLSDT-VXGBXAGGSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]([NH2+][C@H]1CCCC1(C)C)C(C)C ZINC000086856981 572986360 /nfs/dbraw/zinc/98/63/60/572986360.db2.gz MQKPLELAAMLSDT-RYUDHWBXSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+][C@H]1CCCC1(C)C)C(C)C ZINC000086856982 572985269 /nfs/dbraw/zinc/98/52/69/572985269.db2.gz MQKPLELAAMLSDT-NEPJUHHUSA-N 1 0 197.366 3.589 10 0 AHAERO CCCCCC[C@]1([NH3+])CCCC1(C)C ZINC000086865694 572327605 /nfs/dbraw/zinc/32/76/05/572327605.db2.gz WGUPNMWWGKFPCS-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@@]1([NH3+])CCCC1(C)C ZINC000086865695 572328043 /nfs/dbraw/zinc/32/80/43/572328043.db2.gz WGUPNMWWGKFPCS-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CC(C)(C)CC[C@@]1([NH3+])CCCC1(C)C ZINC000086865764 573659312 /nfs/dbraw/zinc/65/93/12/573659312.db2.gz ODKSTQVIICXALP-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CC[C@]1([NH3+])CCCC1(C)C ZINC000086865765 573661331 /nfs/dbraw/zinc/66/13/31/573661331.db2.gz ODKSTQVIICXALP-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)C[C@]1([NH3+])CCCC1(C)C ZINC000086865824 572327351 /nfs/dbraw/zinc/32/73/51/572327351.db2.gz ZRAVCAXAFIQVJZ-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@]1([NH3+])CCCC1(C)C ZINC000086865825 572326930 /nfs/dbraw/zinc/32/69/30/572326930.db2.gz ZRAVCAXAFIQVJZ-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)C[C@@]1([NH3+])CCCC1(C)C ZINC000086865826 572327417 /nfs/dbraw/zinc/32/74/17/572327417.db2.gz ZRAVCAXAFIQVJZ-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@@]1([NH3+])CCCC1(C)C ZINC000086865827 572327235 /nfs/dbraw/zinc/32/72/35/572327235.db2.gz ZRAVCAXAFIQVJZ-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[NH2+][C@@H](CC)[C@@H]1CCCC1(C)C ZINC000086869373 572330084 /nfs/dbraw/zinc/33/00/84/572330084.db2.gz ULQPRACUCHJQOK-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC)[C@@H]1CCCC1(C)C ZINC000086869376 572330054 /nfs/dbraw/zinc/33/00/54/572330054.db2.gz ULQPRACUCHJQOK-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC)[C@H]1CCCC1(C)C ZINC000086869377 572332068 /nfs/dbraw/zinc/33/20/68/572332068.db2.gz ULQPRACUCHJQOK-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC)[C@H]1CCCC1(C)C ZINC000086869379 572329502 /nfs/dbraw/zinc/32/95/02/572329502.db2.gz ULQPRACUCHJQOK-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[NH2+][C@@H]1CCCC1(C)C ZINC000086873497 573673224 /nfs/dbraw/zinc/67/32/24/573673224.db2.gz FOZVXEBKIXIMEP-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C=C1CC[NH2+]CC1)CC ZINC000086880820 572329671 /nfs/dbraw/zinc/32/96/71/572329671.db2.gz QEOMZSJBRSNVSV-GFCCVEGCSA-N 1 0 195.350 3.513 10 0 AHAERO CCCC[C@@H](C=C1CC[NH2+]CC1)CC ZINC000086880823 572332307 /nfs/dbraw/zinc/33/23/07/572332307.db2.gz QEOMZSJBRSNVSV-LBPRGKRZSA-N 1 0 195.350 3.513 10 0 AHAERO CCCC[C@H](/C=C1\CCC[NH2+]C1)CC ZINC000086881096 572331942 /nfs/dbraw/zinc/33/19/42/572331942.db2.gz NOVHEKLVKZQQGG-GMCKNXKJSA-N 1 0 195.350 3.513 10 0 AHAERO CCCC[C@@H](/C=C1\CCC[NH2+]C1)CC ZINC000086881099 572331298 /nfs/dbraw/zinc/33/12/98/572331298.db2.gz NOVHEKLVKZQQGG-CVCOIXHCSA-N 1 0 195.350 3.513 10 0 AHAERO CCCC[C@H](/C=C1\CC[C@H]([NH3+])C1)CC ZINC000086882659 572331448 /nfs/dbraw/zinc/33/14/48/572331448.db2.gz IGDRNPCJGGNJQH-YURTZEIPSA-N 1 0 195.350 3.640 10 0 AHAERO CCCC[C@H](/C=C1\CC[C@@H]([NH3+])C1)CC ZINC000086882666 573677077 /nfs/dbraw/zinc/67/70/77/573677077.db2.gz IGDRNPCJGGNJQH-YBUYXDSISA-N 1 0 195.350 3.640 10 0 AHAERO CCCCCC[C@@H](C)[C@@H](C)[NH2+]C1CC1 ZINC000087144258 572377523 /nfs/dbraw/zinc/37/75/23/572377523.db2.gz PXKPGWPZQXPGOP-VXGBXAGGSA-N 1 0 197.366 3.733 10 0 AHAERO CCCCCC[C@H](C)[C@@H](C)[NH2+]C1CC1 ZINC000087144262 572378683 /nfs/dbraw/zinc/37/86/83/572378683.db2.gz PXKPGWPZQXPGOP-NWDGAFQWSA-N 1 0 197.366 3.733 10 0 AHAERO CCCCCC[C@@H](C)[C@H](C)[NH2+]C1CC1 ZINC000087144265 572376058 /nfs/dbraw/zinc/37/60/58/572376058.db2.gz PXKPGWPZQXPGOP-NEPJUHHUSA-N 1 0 197.366 3.733 10 0 AHAERO CCCCCC[C@H](C)[C@H](C)[NH2+]C1CC1 ZINC000087144266 572378411 /nfs/dbraw/zinc/37/84/11/572378411.db2.gz PXKPGWPZQXPGOP-RYUDHWBXSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@H](C)C[C@@H](C)[C@@H](C)[NH2+]C1CC1 ZINC000087144343 572378974 /nfs/dbraw/zinc/37/89/74/572378974.db2.gz ZNIWPENIHNFKFN-QJPTWQEYSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)C[C@H](C)[C@@H](C)[NH2+]C1CC1 ZINC000087144348 572378898 /nfs/dbraw/zinc/37/88/98/572378898.db2.gz ZNIWPENIHNFKFN-SDDRHHMPSA-N 1 0 197.366 3.589 10 0 AHAERO C[C@@H]([NH2+]C1CC1)[C@@H](C)CCC(C)(C)C ZINC000087144766 572377616 /nfs/dbraw/zinc/37/76/16/572377616.db2.gz JZOAUMRMHZQTRD-WDEREUQCSA-N 1 0 197.366 3.589 10 0 AHAERO C[C@H](CCC(C)(C)C)[C@@H](C)[NH2+]C1CC1 ZINC000087144768 572377208 /nfs/dbraw/zinc/37/72/08/572377208.db2.gz JZOAUMRMHZQTRD-GHMZBOCLSA-N 1 0 197.366 3.589 10 0 AHAERO C[C@@H](CCC(C)(C)C)[C@H](C)[NH2+]C1CC1 ZINC000087144770 572377542 /nfs/dbraw/zinc/37/75/42/572377542.db2.gz JZOAUMRMHZQTRD-QWRGUYRKSA-N 1 0 197.366 3.589 10 0 AHAERO C[C@H](CCC(C)(C)C)[C@H](C)[NH2+]C1CC1 ZINC000087144771 572378523 /nfs/dbraw/zinc/37/85/23/572378523.db2.gz JZOAUMRMHZQTRD-MNOVXSKESA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)[NH2+][C@@H](C)[C@@H](C)CC1CCCC1 ZINC000087145867 573796750 /nfs/dbraw/zinc/79/67/50/573796750.db2.gz JFCJKGOCCFUURQ-RYUDHWBXSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)[NH2+][C@H](C)[C@@H](C)CC1CCCC1 ZINC000087145868 572385731 /nfs/dbraw/zinc/38/57/31/572385731.db2.gz JFCJKGOCCFUURQ-NWDGAFQWSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)[NH2+][C@@H](C)[C@H](C)CC1CCCC1 ZINC000087145870 572385778 /nfs/dbraw/zinc/38/57/78/572385778.db2.gz JFCJKGOCCFUURQ-NEPJUHHUSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)[NH2+][C@H](C)[C@H](C)CC1CCCC1 ZINC000087145871 572384466 /nfs/dbraw/zinc/38/44/66/572384466.db2.gz JFCJKGOCCFUURQ-VXGBXAGGSA-N 1 0 197.366 3.589 10 0 AHAERO CCCCCC[C@@H](C)[C@@H](C)[NH2+]C(C)C ZINC000087145981 572384392 /nfs/dbraw/zinc/38/43/92/572384392.db2.gz VEXXFJKURMLQFM-CHWSQXEVSA-N 1 0 199.382 3.979 10 0 AHAERO CCCCCC[C@H](C)[C@@H](C)[NH2+]C(C)C ZINC000087145984 572385712 /nfs/dbraw/zinc/38/57/12/572385712.db2.gz VEXXFJKURMLQFM-QWHCGFSZSA-N 1 0 199.382 3.979 10 0 AHAERO CCCCCC[C@@H](C)[C@H](C)[NH2+]C(C)C ZINC000087145986 572384751 /nfs/dbraw/zinc/38/47/51/572384751.db2.gz VEXXFJKURMLQFM-OLZOCXBDSA-N 1 0 199.382 3.979 10 0 AHAERO CCCCCC[C@H](C)[C@H](C)[NH2+]C(C)C ZINC000087145987 572383482 /nfs/dbraw/zinc/38/34/82/572383482.db2.gz VEXXFJKURMLQFM-STQMWFEESA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@H](C)C[C@@H](C)[C@@H](C)[NH2+]C(C)C ZINC000087146033 572383362 /nfs/dbraw/zinc/38/33/62/572383362.db2.gz DGKVTVLSURLNBG-YNEHKIRRSA-N 1 0 199.382 3.835 10 0 AHAERO CCC[C@H](C)C[C@H](C)[C@@H](C)[NH2+]C(C)C ZINC000087146037 572384125 /nfs/dbraw/zinc/38/41/25/572384125.db2.gz DGKVTVLSURLNBG-RWMBFGLXSA-N 1 0 199.382 3.835 10 0 AHAERO CCCCC[C@@H](C)[C@@H](C)[NH2+]C(C)C ZINC000087146193 572384027 /nfs/dbraw/zinc/38/40/27/572384027.db2.gz NTMAAKJLRITKRC-VXGBXAGGSA-N 1 0 185.355 3.589 10 0 AHAERO CCCCC[C@H](C)[C@@H](C)[NH2+]C(C)C ZINC000087146196 572384282 /nfs/dbraw/zinc/38/42/82/572384282.db2.gz NTMAAKJLRITKRC-NWDGAFQWSA-N 1 0 185.355 3.589 10 0 AHAERO CCCCC[C@@H](C)[C@H](C)[NH2+]C(C)C ZINC000087146197 572383624 /nfs/dbraw/zinc/38/36/24/572383624.db2.gz NTMAAKJLRITKRC-NEPJUHHUSA-N 1 0 185.355 3.589 10 0 AHAERO CCCCC[C@H](C)[C@H](C)[NH2+]C(C)C ZINC000087146199 572383400 /nfs/dbraw/zinc/38/34/00/572383400.db2.gz NTMAAKJLRITKRC-RYUDHWBXSA-N 1 0 185.355 3.589 10 0 AHAERO CC(C)[NH2+][C@@H](C)[C@@H](C)CCC(C)(C)C ZINC000087146317 572383641 /nfs/dbraw/zinc/38/36/41/572383641.db2.gz GCFYTBDAIJMJLL-RYUDHWBXSA-N 1 0 199.382 3.835 10 0 AHAERO CC(C)[NH2+][C@H](C)[C@@H](C)CCC(C)(C)C ZINC000087146319 572383469 /nfs/dbraw/zinc/38/34/69/572383469.db2.gz GCFYTBDAIJMJLL-NWDGAFQWSA-N 1 0 199.382 3.835 10 0 AHAERO CC(C)[NH2+][C@@H](C)[C@H](C)CCC(C)(C)C ZINC000087146326 573798353 /nfs/dbraw/zinc/79/83/53/573798353.db2.gz GCFYTBDAIJMJLL-NEPJUHHUSA-N 1 0 199.382 3.835 10 0 AHAERO CC(C)[NH2+][C@H](C)[C@H](C)CCC(C)(C)C ZINC000087146329 572383835 /nfs/dbraw/zinc/38/38/35/572383835.db2.gz GCFYTBDAIJMJLL-VXGBXAGGSA-N 1 0 199.382 3.835 10 0 AHAERO CCC[NH2+]CC1(C(C)C)CCCCC1 ZINC000087155346 572378930 /nfs/dbraw/zinc/37/89/30/572378930.db2.gz UIOOJXQQLJUGOS-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)C1(C[NH2+]C(C)(C)C)CCCC1 ZINC000087155356 572377951 /nfs/dbraw/zinc/37/79/51/572377951.db2.gz BQJQABJOWYHWLB-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@](C)(C[NH2+]C(C)(C)C)C(C)C ZINC000087155379 572376732 /nfs/dbraw/zinc/37/67/32/572376732.db2.gz ODQMLLXOOWWHFC-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@](C)(C[NH2+]C(C)(C)C)C(C)C ZINC000087155381 572376649 /nfs/dbraw/zinc/37/66/49/572376649.db2.gz ODQMLLXOOWWHFC-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@](C)(C[NH2+]CC(C)C)C(C)C ZINC000087155383 572378921 /nfs/dbraw/zinc/37/89/21/572378921.db2.gz XRBKBMGGIANOJI-ZDUSSCGKSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@](C)(C[NH2+]CC(C)C)C(C)C ZINC000087155385 572376959 /nfs/dbraw/zinc/37/69/59/572376959.db2.gz XRBKBMGGIANOJI-CYBMUJFWSA-N 1 0 199.382 3.694 10 0 AHAERO CCCC[C@@](CC)(C[NH2+]CC)C(C)C ZINC000087155396 572379027 /nfs/dbraw/zinc/37/90/27/572379027.db2.gz BMPSVEIXWOQMHZ-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@](CC)(C[NH2+]CC)C(C)C ZINC000087155399 572376794 /nfs/dbraw/zinc/37/67/94/572376794.db2.gz BMPSVEIXWOQMHZ-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCC(CC)(C[NH2+]C(C)(C)C)C(C)C ZINC000087155433 572378057 /nfs/dbraw/zinc/37/80/57/572378057.db2.gz WEVVNGJJFVAIQL-UHFFFAOYSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)(C[NH2+]CC(C)C)C(C)C ZINC000087155434 572376215 /nfs/dbraw/zinc/37/62/15/572376215.db2.gz WKXXOMSPYHCWHA-UHFFFAOYSA-N 1 0 199.382 3.694 10 0 AHAERO CCCCC1CCC([NH3+])(C(C)C)CC1 ZINC000087155547 572380859 /nfs/dbraw/zinc/38/08/59/572380859.db2.gz AQDNHDXGQWDNOS-UHFFFAOYSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C1([NH3+])CCC(CC)CC1 ZINC000087159041 572382024 /nfs/dbraw/zinc/38/20/24/572382024.db2.gz XBPOXMYQKPRDCF-UHFFFAOYSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@@]1([NH3+])CCC[C@@H](CC)C1 ZINC000087169022 572395351 /nfs/dbraw/zinc/39/53/51/572395351.db2.gz IYNCZUNDZPQGKC-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@@]1([NH3+])CCC[C@H](CC)C1 ZINC000087169024 572395287 /nfs/dbraw/zinc/39/52/87/572395287.db2.gz IYNCZUNDZPQGKC-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@]1([NH3+])CCC[C@@H](CC)C1 ZINC000087169026 572397483 /nfs/dbraw/zinc/39/74/83/572397483.db2.gz IYNCZUNDZPQGKC-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@]1([NH3+])CCC[C@H](CC)C1 ZINC000087169027 572395586 /nfs/dbraw/zinc/39/55/86/572395586.db2.gz IYNCZUNDZPQGKC-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@@]1([NH3+])CCCC[C@H]1CC ZINC000087169029 572395704 /nfs/dbraw/zinc/39/57/04/572395704.db2.gz CKCPVYMPJCSJSL-OLZOCXBDSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@@]1([NH3+])CCCC[C@@H]1CC ZINC000087169031 572397790 /nfs/dbraw/zinc/39/77/90/572397790.db2.gz CKCPVYMPJCSJSL-STQMWFEESA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@]1([NH3+])CCCC[C@H]1CC ZINC000087169032 572397751 /nfs/dbraw/zinc/39/77/51/572397751.db2.gz CKCPVYMPJCSJSL-CHWSQXEVSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@]1([NH3+])CCCC[C@@H]1CC ZINC000087169034 572396114 /nfs/dbraw/zinc/39/61/14/572396114.db2.gz CKCPVYMPJCSJSL-QWHCGFSZSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C1([NH3+])CCC(C)(C)CC1 ZINC000087169036 573807522 /nfs/dbraw/zinc/80/75/22/573807522.db2.gz KBQINEQLCKOHJD-UHFFFAOYSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@]1([NH3+])CCCC(C)(C)C1 ZINC000087169041 573809906 /nfs/dbraw/zinc/80/99/06/573809906.db2.gz RLFYMSZAXXACTC-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@@]1([NH3+])CCCC(C)(C)C1 ZINC000087169043 573806592 /nfs/dbraw/zinc/80/65/92/573806592.db2.gz RLFYMSZAXXACTC-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C1([NH3+])C[C@@H](C)C[C@H](C)C1 ZINC000087169067 573805127 /nfs/dbraw/zinc/80/51/27/573805127.db2.gz CWILTHPFZDHGHK-QWRGUYRKSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)C1([NH3+])C[C@H](C)C[C@@H](C)C1 ZINC000087169069 573808805 /nfs/dbraw/zinc/80/88/05/573808805.db2.gz CWILTHPFZDHGHK-GHMZBOCLSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@]1([NH3+])CC[C@H](C)[C@H](C)C1 ZINC000087169071 573808707 /nfs/dbraw/zinc/80/87/07/573808707.db2.gz STUJRCSKRULWJN-LOWVWBTDSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@]1([NH3+])CC[C@@H](C)[C@H](C)C1 ZINC000087169074 573806374 /nfs/dbraw/zinc/80/63/74/573806374.db2.gz STUJRCSKRULWJN-WZRBSPASSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@]1([NH3+])CCC[C@H](C)[C@@H]1C ZINC000087169078 573805626 /nfs/dbraw/zinc/80/56/26/573805626.db2.gz FCKVAXJGOWPXOL-GVXVVHGQSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@]1([NH3+])CCC[C@@H](C)[C@@H]1C ZINC000087169081 573806488 /nfs/dbraw/zinc/80/64/88/573806488.db2.gz FCKVAXJGOWPXOL-MDZLAQPJSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@]1([NH3+])CC[C@H](C)C[C@@H]1C ZINC000087169086 573806299 /nfs/dbraw/zinc/80/62/99/573806299.db2.gz KKVJDIPFWMHBGD-GVXVVHGQSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@]1([NH3+])CC[C@@H](C)C[C@@H]1C ZINC000087169090 573808222 /nfs/dbraw/zinc/80/82/22/573808222.db2.gz KKVJDIPFWMHBGD-MDZLAQPJSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@]1([NH3+])C[C@H](C)CC[C@@H]1C ZINC000087169093 573807321 /nfs/dbraw/zinc/80/73/21/573807321.db2.gz HXRYWGYBNBZOMJ-MDZLAQPJSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@]1([NH3+])C[C@@H](C)CC[C@@H]1C ZINC000087169096 573807154 /nfs/dbraw/zinc/80/71/54/573807154.db2.gz HXRYWGYBNBZOMJ-GVXVVHGQSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@]1([NH3+])CCC[C@H](C)CC1 ZINC000087169111 573808453 /nfs/dbraw/zinc/80/84/53/573808453.db2.gz NKKTZJSHWVQZKD-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@@]1([NH3+])CCC[C@H](C)CC1 ZINC000087169113 573807488 /nfs/dbraw/zinc/80/74/88/573807488.db2.gz NKKTZJSHWVQZKD-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@]1([NH3+])CCC[C@@H](C)CC1 ZINC000087169115 573809107 /nfs/dbraw/zinc/80/91/07/573809107.db2.gz NKKTZJSHWVQZKD-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@@]1([NH3+])CCC[C@@H](C)CC1 ZINC000087169116 573806579 /nfs/dbraw/zinc/80/65/79/573806579.db2.gz NKKTZJSHWVQZKD-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@]1([NH3+])CCCCC1(C)C ZINC000087169142 573808298 /nfs/dbraw/zinc/80/82/98/573808298.db2.gz RXHBDCYKFNJVPG-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@@]1([NH3+])CCCCC1(C)C ZINC000087169144 573808132 /nfs/dbraw/zinc/80/81/32/573808132.db2.gz RXHBDCYKFNJVPG-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[NH2+][C@@H](CC(C)C)C(CC)CC ZINC000087169974 572396550 /nfs/dbraw/zinc/39/65/50/572396550.db2.gz YSTJGWSSCLKOCX-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CC(C)C)C(CC)CC ZINC000087169975 572395311 /nfs/dbraw/zinc/39/53/11/572395311.db2.gz YSTJGWSSCLKOCX-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@H]([NH2+]C)C1CCCCC1 ZINC000087169992 572395141 /nfs/dbraw/zinc/39/51/41/572395141.db2.gz JGTGULGGBSKLJD-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@H]([NH2+]C)C1CCCCC1 ZINC000087169994 572396577 /nfs/dbraw/zinc/39/65/77/572396577.db2.gz JGTGULGGBSKLJD-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CCC)C(CC)CC ZINC000087170009 572395253 /nfs/dbraw/zinc/39/52/53/572395253.db2.gz ICHLAAQKIRPPLT-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@H](CCC)C(CC)CC ZINC000087170011 572395266 /nfs/dbraw/zinc/39/52/66/572395266.db2.gz ICHLAAQKIRPPLT-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](C(CC)CC)C(C)(C)C ZINC000087170032 572397464 /nfs/dbraw/zinc/39/74/64/572397464.db2.gz RIOJKEFSJACGMF-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C(CC)CC)C(C)(C)C ZINC000087170033 572396703 /nfs/dbraw/zinc/39/67/03/572396703.db2.gz RIOJKEFSJACGMF-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C(CC)CC)C1CCCC1 ZINC000087170068 573807118 /nfs/dbraw/zinc/80/71/18/573807118.db2.gz UUJVAAHWKLXLBH-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C(CC)CC)C1CCCC1 ZINC000087170069 572397136 /nfs/dbraw/zinc/39/71/36/572397136.db2.gz UUJVAAHWKLXLBH-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC(C)C)C(CC)CC ZINC000087170139 572397290 /nfs/dbraw/zinc/39/72/90/572397290.db2.gz NZVVXPVOQWLFHA-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CCC(C)C)C(CC)CC ZINC000087170140 572397794 /nfs/dbraw/zinc/39/77/94/572397794.db2.gz NZVVXPVOQWLFHA-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@H]([NH3+])[C@@H]1CCC[C@H](C)C1 ZINC000087170190 572397799 /nfs/dbraw/zinc/39/77/99/572397799.db2.gz DSDAMJWHBPLQLL-UHTWSYAYSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@H]([NH3+])[C@H]1CCC[C@H](C)C1 ZINC000087170193 572395769 /nfs/dbraw/zinc/39/57/69/572395769.db2.gz DSDAMJWHBPLQLL-DRZSPHRISA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@H]([NH3+])C1CCC(C)CC1 ZINC000087170211 572397728 /nfs/dbraw/zinc/39/77/28/572397728.db2.gz SVBXAARPTWDGHZ-GDKBPFBDSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@@H]([NH3+])C1CCC(C)CC1 ZINC000087170213 572397990 /nfs/dbraw/zinc/39/79/90/572397990.db2.gz SVBXAARPTWDGHZ-KGPNIALWSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[NH2+][C@H](C(CC)CC)[C@@H](C)CC ZINC000087170362 572397947 /nfs/dbraw/zinc/39/79/47/572397947.db2.gz YVWBZOAGLLEGCT-AAEUAGOBSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C(CC)CC)[C@@H](C)CC ZINC000087170364 572397496 /nfs/dbraw/zinc/39/74/96/572397496.db2.gz YVWBZOAGLLEGCT-WCQYABFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C(CC)CC)[C@H](C)CC ZINC000087170365 572395229 /nfs/dbraw/zinc/39/52/29/572395229.db2.gz YVWBZOAGLLEGCT-YPMHNXCESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C(CC)CC)[C@H](C)CC ZINC000087170367 572395126 /nfs/dbraw/zinc/39/51/26/572395126.db2.gz YVWBZOAGLLEGCT-DGCLKSJQSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CC(C)(C)C)C(CC)CC ZINC000087170387 572396203 /nfs/dbraw/zinc/39/62/03/572396203.db2.gz YERLZKCZAKLSAX-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC(C)(C)C)C(CC)CC ZINC000087170389 572395442 /nfs/dbraw/zinc/39/54/42/572395442.db2.gz YERLZKCZAKLSAX-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C(CC)CC)C1CCC1 ZINC000087170479 573808009 /nfs/dbraw/zinc/80/80/09/573808009.db2.gz ZSQIHFPLOAHLKS-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C(CC)CC)C1CCC1 ZINC000087170481 572396225 /nfs/dbraw/zinc/39/62/25/572396225.db2.gz ZSQIHFPLOAHLKS-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@H]([NH3+])C1CCCCCC1 ZINC000087170796 572396005 /nfs/dbraw/zinc/39/60/05/572396005.db2.gz XGTFFRRMTGMALG-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@@H]([NH3+])C1CCCCCC1 ZINC000087170797 572395815 /nfs/dbraw/zinc/39/58/15/572395815.db2.gz XGTFFRRMTGMALG-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@@H]([NH3+])[C@H]1CC[C@@H](CC)C1 ZINC000087170852 572395174 /nfs/dbraw/zinc/39/51/74/572395174.db2.gz QZPMQTXXXKCJHB-KGYLQXTDSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@@H]([NH3+])[C@@H]1CC[C@@H](CC)C1 ZINC000087170855 572396260 /nfs/dbraw/zinc/39/62/60/572396260.db2.gz QZPMQTXXXKCJHB-RAIGVLPGSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@]1(C(C)(C)C)CCC[NH2+]1 ZINC000087170990 572397148 /nfs/dbraw/zinc/39/71/48/572397148.db2.gz GXWWDYJJWWBEGU-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@]1(C(C)(C)C)CCC[NH2+]1 ZINC000087170991 572396143 /nfs/dbraw/zinc/39/61/43/572396143.db2.gz GXWWDYJJWWBEGU-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@]1(CC(C)C)CCC[NH2+]1 ZINC000087170993 572395450 /nfs/dbraw/zinc/39/54/50/572395450.db2.gz OWTBIXIJZOGELP-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@]1(CC(C)C)CCC[NH2+]1 ZINC000087170995 572395756 /nfs/dbraw/zinc/39/57/56/572395756.db2.gz OWTBIXIJZOGELP-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@]1(CC)CCCCC[NH2+]1 ZINC000087171139 572395115 /nfs/dbraw/zinc/39/51/15/572395115.db2.gz LGJLZIJJMHGJRH-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC(CC)[C@@]1(CC)CCCCC[NH2+]1 ZINC000087171142 572394560 /nfs/dbraw/zinc/39/45/60/572394560.db2.gz LGJLZIJJMHGJRH-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H]([NH2+]CC)C(CC)CC ZINC000087171172 572395808 /nfs/dbraw/zinc/39/58/08/572395808.db2.gz XRTXKRSJPFUFGI-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H]([NH2+]CC)C(CC)CC ZINC000087171174 572398051 /nfs/dbraw/zinc/39/80/51/572398051.db2.gz XRTXKRSJPFUFGI-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H]([NH2+]CCC)C(CC)CC ZINC000087171175 572395417 /nfs/dbraw/zinc/39/54/17/572395417.db2.gz NSAPZTRVOVASFO-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H]([NH2+]CCC)C(CC)CC ZINC000087171177 572397869 /nfs/dbraw/zinc/39/78/69/572397869.db2.gz NSAPZTRVOVASFO-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H]([NH2+]C(C)C)C(CC)CC ZINC000087171178 572394727 /nfs/dbraw/zinc/39/47/27/572394727.db2.gz ORHJVHQCKZLERD-ZDUSSCGKSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@@H]([NH2+]C(C)C)C(CC)CC ZINC000087171180 572397803 /nfs/dbraw/zinc/39/78/03/572397803.db2.gz ORHJVHQCKZLERD-CYBMUJFWSA-N 1 0 199.382 3.979 10 0 AHAERO CC[NH2+]C[C@H](CC(C)C)C(CC)CC ZINC000087172033 572400678 /nfs/dbraw/zinc/40/06/78/572400678.db2.gz MWZUEAKZLVJHPX-ZDUSSCGKSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@@H](CC(C)C)C(CC)CC ZINC000087172035 573808872 /nfs/dbraw/zinc/80/88/72/573808872.db2.gz MWZUEAKZLVJHPX-CYBMUJFWSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@@H](CC(C)C)[C@@H](C)CC ZINC000087172046 572399509 /nfs/dbraw/zinc/39/95/09/572399509.db2.gz GBSNNJREESGXJW-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@H](CC(C)C)[C@@H](C)CC ZINC000087172048 572399356 /nfs/dbraw/zinc/39/93/56/572399356.db2.gz GBSNNJREESGXJW-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@@H](CC(C)C)[C@H](C)CC ZINC000087172049 572398830 /nfs/dbraw/zinc/39/88/30/572398830.db2.gz GBSNNJREESGXJW-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@H](CC(C)C)[C@H](C)CC ZINC000087172051 572399616 /nfs/dbraw/zinc/39/96/16/572399616.db2.gz GBSNNJREESGXJW-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@@H](C)[C@H](C[NH2+]C(C)C)CC(C)C ZINC000087172056 572400432 /nfs/dbraw/zinc/40/04/32/572400432.db2.gz GNNHVQGRDSYELT-OLZOCXBDSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)[C@H](C[NH2+]C(C)C)CC(C)C ZINC000087172057 572399846 /nfs/dbraw/zinc/39/98/46/572399846.db2.gz GNNHVQGRDSYELT-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](C)[C@@H](C[NH2+]C(C)C)CC(C)C ZINC000087172059 572400079 /nfs/dbraw/zinc/40/00/79/572400079.db2.gz GNNHVQGRDSYELT-CHWSQXEVSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)[C@@H](C[NH2+]C(C)C)CC(C)C ZINC000087172060 572398920 /nfs/dbraw/zinc/39/89/20/572398920.db2.gz GNNHVQGRDSYELT-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+]C[C@H](CCC)C(CC)CC ZINC000087172111 572401467 /nfs/dbraw/zinc/40/14/67/572401467.db2.gz KRWRPLCTRTXBJU-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@@H](CCC)C(CC)CC ZINC000087172113 572400857 /nfs/dbraw/zinc/40/08/57/572400857.db2.gz KRWRPLCTRTXBJU-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@@H](C[NH2+]C(C)C)C(CC)CC ZINC000087172122 572398318 /nfs/dbraw/zinc/39/83/18/572398318.db2.gz WCWIBWONDKICRO-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C[NH2+]C(C)C)C(CC)CC ZINC000087172124 572401374 /nfs/dbraw/zinc/40/13/74/572401374.db2.gz WCWIBWONDKICRO-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C[NH2+]C1CC1)C(CC)CC ZINC000087172131 572401363 /nfs/dbraw/zinc/40/13/63/572401363.db2.gz GAWAPMJUUGTSAB-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C[NH2+]C1CC1)C(CC)CC ZINC000087172132 572398302 /nfs/dbraw/zinc/39/83/02/572398302.db2.gz GAWAPMJUUGTSAB-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C[NH2+]C(C)(C)C)[C@@H](C)CC ZINC000087172143 572398863 /nfs/dbraw/zinc/39/88/63/572398863.db2.gz RWSTXJHYWNHUSJ-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C[NH2+]C(C)(C)C)[C@@H](C)CC ZINC000087172144 572401113 /nfs/dbraw/zinc/40/11/13/572401113.db2.gz RWSTXJHYWNHUSJ-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C[NH2+]C(C)(C)C)[C@H](C)CC ZINC000087172146 572401457 /nfs/dbraw/zinc/40/14/57/572401457.db2.gz RWSTXJHYWNHUSJ-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C[NH2+]C(C)(C)C)[C@H](C)CC ZINC000087172148 572399736 /nfs/dbraw/zinc/39/97/36/572399736.db2.gz RWSTXJHYWNHUSJ-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C[NH2+]CC(C)C)[C@@H](C)CC ZINC000087172154 572399815 /nfs/dbraw/zinc/39/98/15/572399815.db2.gz CCXDCNFVIZVTRP-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@H](C[NH2+]CC(C)C)[C@@H](C)CC ZINC000087172156 572400088 /nfs/dbraw/zinc/40/00/88/572400088.db2.gz CCXDCNFVIZVTRP-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@@H](C[NH2+]CC(C)C)[C@H](C)CC ZINC000087172158 572399559 /nfs/dbraw/zinc/39/95/59/572399559.db2.gz CCXDCNFVIZVTRP-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@H](C[NH2+]CC(C)C)[C@H](C)CC ZINC000087172159 572398708 /nfs/dbraw/zinc/39/87/08/572398708.db2.gz CCXDCNFVIZVTRP-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CCC(CC)[C@@H](CC)C[NH2+]C(C)(C)C ZINC000087172279 572401411 /nfs/dbraw/zinc/40/14/11/572401411.db2.gz MYKUZODAYLDCMV-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@H](CC)C[NH2+]C(C)(C)C ZINC000087172280 572398540 /nfs/dbraw/zinc/39/85/40/572398540.db2.gz MYKUZODAYLDCMV-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@@H](CC)C[NH2+]CC(C)C ZINC000087172290 572401421 /nfs/dbraw/zinc/40/14/21/572401421.db2.gz DKNWZWVVFDUKDO-ZDUSSCGKSA-N 1 0 199.382 3.694 10 0 AHAERO CCC(CC)[C@H](CC)C[NH2+]CC(C)C ZINC000087172292 572399316 /nfs/dbraw/zinc/39/93/16/572399316.db2.gz DKNWZWVVFDUKDO-CYBMUJFWSA-N 1 0 199.382 3.694 10 0 AHAERO CCCC[C@@](CC)(C[NH3+])C(CC)CC ZINC000087172420 572400794 /nfs/dbraw/zinc/40/07/94/572400794.db2.gz VTMWSUFQWCQVHP-ZDUSSCGKSA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@](CC)(C[NH3+])C(CC)CC ZINC000087172422 572399679 /nfs/dbraw/zinc/39/96/79/572399679.db2.gz VTMWSUFQWCQVHP-CYBMUJFWSA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@@](CC)(C[NH3+])[C@@H](C)CC ZINC000087172423 572399949 /nfs/dbraw/zinc/39/99/49/572399949.db2.gz NRLGHYFTYHGVQU-RYUDHWBXSA-N 1 0 185.355 3.578 10 0 AHAERO CCCC[C@](CC)(C[NH3+])[C@@H](C)CC ZINC000087172425 572398312 /nfs/dbraw/zinc/39/83/12/572398312.db2.gz NRLGHYFTYHGVQU-NWDGAFQWSA-N 1 0 185.355 3.578 10 0 AHAERO CCCC[C@@](CC)(C[NH3+])[C@H](C)CC ZINC000087172426 572401402 /nfs/dbraw/zinc/40/14/02/572401402.db2.gz NRLGHYFTYHGVQU-NEPJUHHUSA-N 1 0 185.355 3.578 10 0 AHAERO CCCC[C@](CC)(C[NH3+])[C@H](C)CC ZINC000087172428 572401002 /nfs/dbraw/zinc/40/10/02/572401002.db2.gz NRLGHYFTYHGVQU-VXGBXAGGSA-N 1 0 185.355 3.578 10 0 AHAERO CCC(CC)C(C)(C)C[NH2+]C(C)(C)C ZINC000087172498 572401195 /nfs/dbraw/zinc/40/11/95/572401195.db2.gz DYLQDDJHODSXSE-UHFFFAOYSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C(C)(C)C[NH2+]CC(C)C ZINC000087172504 572400661 /nfs/dbraw/zinc/40/06/61/572400661.db2.gz XUNLJGRMEHFYFH-UHFFFAOYSA-N 1 0 199.382 3.694 10 0 AHAERO CCC(CC)C1(C[NH2+]C)CCCCC1 ZINC000087172532 572401461 /nfs/dbraw/zinc/40/14/61/572401461.db2.gz RIQZZZHIGJOKEH-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CC1([C@H](C)CC)CCCCC1 ZINC000087172546 572400500 /nfs/dbraw/zinc/40/05/00/572400500.db2.gz XEDCWIRLXJOKGU-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CC1([C@@H](C)CC)CCCCC1 ZINC000087172549 572400194 /nfs/dbraw/zinc/40/01/94/572400194.db2.gz XEDCWIRLXJOKGU-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CC1(C(CC)CC)CCCC1 ZINC000087172598 572399437 /nfs/dbraw/zinc/39/94/37/572399437.db2.gz NUYWSHGAGMTAGI-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC1([C@@H](C)CC)CCCC1 ZINC000087172608 572399731 /nfs/dbraw/zinc/39/97/31/572399731.db2.gz CTASZIHZGVFBDC-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC1([C@H](C)CC)CCCC1 ZINC000087172611 572398521 /nfs/dbraw/zinc/39/85/21/572398521.db2.gz CTASZIHZGVFBDC-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@@H](C)C1(C[NH2+]C(C)C)CCCC1 ZINC000087172616 572400594 /nfs/dbraw/zinc/40/05/94/572400594.db2.gz IUABCSBZDKUQRK-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C1(C[NH2+]C(C)C)CCCC1 ZINC000087172619 572398680 /nfs/dbraw/zinc/39/86/80/572398680.db2.gz IUABCSBZDKUQRK-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@](C)(C[NH2+]CC)C(CC)CC ZINC000087172663 572399239 /nfs/dbraw/zinc/39/92/39/572399239.db2.gz DOVSLMACJVLGMO-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@](C)(C[NH2+]CC)C(CC)CC ZINC000087172668 572401429 /nfs/dbraw/zinc/40/14/29/572401429.db2.gz DOVSLMACJVLGMO-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@@](C)(C[NH2+]C(C)C)[C@@H](C)CC ZINC000087172705 573810064 /nfs/dbraw/zinc/81/00/64/573810064.db2.gz WBCAOXLOZFOLSK-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@](C)(C[NH2+]C(C)C)[C@@H](C)CC ZINC000087172707 572401158 /nfs/dbraw/zinc/40/11/58/572401158.db2.gz WBCAOXLOZFOLSK-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@](C)(C[NH2+]C(C)C)[C@H](C)CC ZINC000087172709 572399088 /nfs/dbraw/zinc/39/90/88/572399088.db2.gz WBCAOXLOZFOLSK-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@](C)(C[NH2+]C(C)C)[C@H](C)CC ZINC000087172711 572399993 /nfs/dbraw/zinc/39/99/93/572399993.db2.gz WBCAOXLOZFOLSK-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@](C)(C[NH2+]C1CC1)[C@@H](C)CC ZINC000087172721 572399465 /nfs/dbraw/zinc/39/94/65/572399465.db2.gz PCFKOYJQSACPTQ-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@](C)(C[NH2+]C1CC1)[C@@H](C)CC ZINC000087172723 572399956 /nfs/dbraw/zinc/39/99/56/572399956.db2.gz PCFKOYJQSACPTQ-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@](C)(C[NH2+]C1CC1)[C@H](C)CC ZINC000087172724 572399253 /nfs/dbraw/zinc/39/92/53/572399253.db2.gz PCFKOYJQSACPTQ-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@](C)(C[NH2+]C1CC1)[C@H](C)CC ZINC000087172726 572398978 /nfs/dbraw/zinc/39/89/78/572398978.db2.gz PCFKOYJQSACPTQ-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@](CC)(C[NH2+]C)[C@@H](C)CC ZINC000087172795 572398805 /nfs/dbraw/zinc/39/88/05/572398805.db2.gz OKHYJYHAADGXPA-STQMWFEESA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@](CC)(C[NH2+]C)[C@@H](C)CC ZINC000087172798 572399778 /nfs/dbraw/zinc/39/97/78/572399778.db2.gz OKHYJYHAADGXPA-QWHCGFSZSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@@](CC)(C[NH2+]C)[C@H](C)CC ZINC000087172802 573808171 /nfs/dbraw/zinc/80/81/71/573808171.db2.gz OKHYJYHAADGXPA-OLZOCXBDSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@](CC)(C[NH2+]C)[C@H](C)CC ZINC000087172804 572398712 /nfs/dbraw/zinc/39/87/12/572398712.db2.gz OKHYJYHAADGXPA-CHWSQXEVSA-N 1 0 199.382 3.839 10 0 AHAERO CC[NH2+]CC(CC)(CC)C(CC)CC ZINC000087172871 572399886 /nfs/dbraw/zinc/39/98/86/572399886.db2.gz UGPYCEHPHZIUBB-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]CC(CC)(CC)[C@@H](C)CC ZINC000087172882 572399100 /nfs/dbraw/zinc/39/91/00/572399100.db2.gz ZCPCRYIFNANFHM-LBPRGKRZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]CC(CC)(CC)[C@H](C)CC ZINC000087172885 572398902 /nfs/dbraw/zinc/39/89/02/572398902.db2.gz ZCPCRYIFNANFHM-GFCCVEGCSA-N 1 0 199.382 3.839 10 0 AHAERO CC[C@@H](C)C(CC)(CC)C[NH2+]C(C)C ZINC000087172891 572398514 /nfs/dbraw/zinc/39/85/14/572398514.db2.gz ONWOLDSDVQXOIW-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)C(CC)(CC)C[NH2+]C(C)C ZINC000087172894 572400785 /nfs/dbraw/zinc/40/07/85/572400785.db2.gz ONWOLDSDVQXOIW-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)C(CC)(CC)C[NH2+]C1CC1 ZINC000087172899 572401219 /nfs/dbraw/zinc/40/12/19/572401219.db2.gz GJGKRHSORZQZQW-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C(CC)(CC)C[NH2+]C1CC1 ZINC000087172902 572400932 /nfs/dbraw/zinc/40/09/32/572400932.db2.gz GJGKRHSORZQZQW-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+]C[C@@](C)(CC)C(CC)CC ZINC000087172985 572400540 /nfs/dbraw/zinc/40/05/40/572400540.db2.gz KOGANTBIPLXLAZ-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@](C)(CC)C(CC)CC ZINC000087172986 572400238 /nfs/dbraw/zinc/40/02/38/572400238.db2.gz KOGANTBIPLXLAZ-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCC(CC)[C@@](C)(CC)C[NH2+]C(C)C ZINC000087173000 572400706 /nfs/dbraw/zinc/40/07/06/572400706.db2.gz BANIBSORAWXAFI-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@](C)(CC)C[NH2+]C(C)C ZINC000087173003 572399757 /nfs/dbraw/zinc/39/97/57/572399757.db2.gz BANIBSORAWXAFI-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@@](C)(CC)C[NH2+]C1CC1 ZINC000087173015 572398466 /nfs/dbraw/zinc/39/84/66/572398466.db2.gz SHXSSBFVYOKQDX-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@](C)(CC)C[NH2+]C1CC1 ZINC000087173017 572400232 /nfs/dbraw/zinc/40/02/32/572400232.db2.gz SHXSSBFVYOKQDX-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)[C@@](C)(CC)C[NH2+]C(C)(C)C ZINC000087173035 572398702 /nfs/dbraw/zinc/39/87/02/572398702.db2.gz OMWQYCHDOBUISG-YPMHNXCESA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)[C@@](C)(CC)C[NH2+]C(C)(C)C ZINC000087173038 572399707 /nfs/dbraw/zinc/39/97/07/572399707.db2.gz OMWQYCHDOBUISG-AAEUAGOBSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)[C@](C)(CC)C[NH2+]C(C)(C)C ZINC000087173040 572398741 /nfs/dbraw/zinc/39/87/41/572398741.db2.gz OMWQYCHDOBUISG-DGCLKSJQSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)[C@](C)(CC)C[NH2+]C(C)(C)C ZINC000087173042 572401390 /nfs/dbraw/zinc/40/13/90/572401390.db2.gz OMWQYCHDOBUISG-WCQYABFASA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)[C@@](C)(CC)C[NH2+]CC(C)C ZINC000087173052 572399448 /nfs/dbraw/zinc/39/94/48/572399448.db2.gz JOTKXOBWZQMYHI-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@H](C)[C@@](C)(CC)C[NH2+]CC(C)C ZINC000087173055 572400987 /nfs/dbraw/zinc/40/09/87/572400987.db2.gz JOTKXOBWZQMYHI-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@@H](C)[C@](C)(CC)C[NH2+]CC(C)C ZINC000087173059 572400623 /nfs/dbraw/zinc/40/06/23/572400623.db2.gz JOTKXOBWZQMYHI-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@H](C)[C@](C)(CC)C[NH2+]CC(C)C ZINC000087173063 572401264 /nfs/dbraw/zinc/40/12/64/572401264.db2.gz JOTKXOBWZQMYHI-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]CC1(C(CC)CC)CCC1 ZINC000087173384 572383615 /nfs/dbraw/zinc/38/36/15/572383615.db2.gz IQOAMHPJIFXOFB-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC(CC)C1(C[NH2+]C(C)C)CCC1 ZINC000087173391 572385393 /nfs/dbraw/zinc/38/53/93/572385393.db2.gz GIYSSMWKMHNMPW-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C1(C[NH2+]C(C)(C)C)CCC1 ZINC000087173410 572383109 /nfs/dbraw/zinc/38/31/09/572383109.db2.gz PZUTWDIUAGLXSH-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C1(C[NH2+]C(C)(C)C)CCC1 ZINC000087173413 572385497 /nfs/dbraw/zinc/38/54/97/572385497.db2.gz PZUTWDIUAGLXSH-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C1(C[NH2+]C(C)(C)C)CC1 ZINC000087173480 572385737 /nfs/dbraw/zinc/38/57/37/572385737.db2.gz UEIZSHIZBYYMHE-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCCC[C@H]1C(CC)CC ZINC000087173640 572384782 /nfs/dbraw/zinc/38/47/82/572384782.db2.gz UCPGRJRUVUGGCS-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCCC[C@@H]1C(CC)CC ZINC000087173642 572385201 /nfs/dbraw/zinc/38/52/01/572385201.db2.gz UCPGRJRUVUGGCS-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCCC[C@H]1C(CC)CC ZINC000087173646 572384431 /nfs/dbraw/zinc/38/44/31/572384431.db2.gz UCPGRJRUVUGGCS-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCCC[C@@H]1C(CC)CC ZINC000087173649 572385074 /nfs/dbraw/zinc/38/50/74/572385074.db2.gz UCPGRJRUVUGGCS-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@@H]1C(CC)CC ZINC000087173685 572383368 /nfs/dbraw/zinc/38/33/68/572383368.db2.gz KWKYGQXWKZNZJN-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCC[C@@H]1C(CC)CC ZINC000087173690 572384830 /nfs/dbraw/zinc/38/48/30/572384830.db2.gz KWKYGQXWKZNZJN-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@H]1C(CC)CC ZINC000087173696 572383211 /nfs/dbraw/zinc/38/32/11/572383211.db2.gz KWKYGQXWKZNZJN-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CCC[C@H]1C(CC)CC ZINC000087173698 572384950 /nfs/dbraw/zinc/38/49/50/572384950.db2.gz KWKYGQXWKZNZJN-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000087173700 572384528 /nfs/dbraw/zinc/38/45/28/572384528.db2.gz AVBUAMMDTAWQAF-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@H]1CCCCC[C@@H]1[NH2+]C ZINC000087173704 572384602 /nfs/dbraw/zinc/38/46/02/572384602.db2.gz AVBUAMMDTAWQAF-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@H]1CCCCC[C@H]1[NH2+]C ZINC000087173707 572384395 /nfs/dbraw/zinc/38/43/95/572384395.db2.gz AVBUAMMDTAWQAF-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@H]1CCCCC[C@H]1[NH2+]C ZINC000087173710 572384136 /nfs/dbraw/zinc/38/41/36/572384136.db2.gz AVBUAMMDTAWQAF-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)CC[C@H]([NH3+])C(C)(C)C ZINC000087174623 572385429 /nfs/dbraw/zinc/38/54/29/572385429.db2.gz BWDBABOGHDBBKL-NSHDSACASA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)CC[C@@H]([NH3+])C(C)(C)C ZINC000087174625 572385693 /nfs/dbraw/zinc/38/56/93/572385693.db2.gz BWDBABOGHDBBKL-LLVKDONJSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)CCC[NH2+]C(C)(C)C ZINC000087174644 572384651 /nfs/dbraw/zinc/38/46/51/572384651.db2.gz PQWBRFIWMPPXOP-UHFFFAOYSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@H](C(CC)CC)C1 ZINC000087174669 572385446 /nfs/dbraw/zinc/38/54/46/572385446.db2.gz IEKCFBYNDGAZTB-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CC[C@H](C(CC)CC)C1 ZINC000087174671 572384756 /nfs/dbraw/zinc/38/47/56/572384756.db2.gz IEKCFBYNDGAZTB-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@@H](C(CC)CC)C1 ZINC000087174675 572383105 /nfs/dbraw/zinc/38/31/05/572383105.db2.gz IEKCFBYNDGAZTB-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H]1CC[C@@H](C(CC)CC)C1 ZINC000087174678 572384617 /nfs/dbraw/zinc/38/46/17/572384617.db2.gz IEKCFBYNDGAZTB-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCC[C@@H](C(CC)CC)C1 ZINC000087174691 572383589 /nfs/dbraw/zinc/38/35/89/572383589.db2.gz DMMAGIMGAQWNHL-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCC[C@H](C(CC)CC)C1 ZINC000087174693 572385338 /nfs/dbraw/zinc/38/53/38/572385338.db2.gz DMMAGIMGAQWNHL-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCC[C@@H](C(CC)CC)C1 ZINC000087174695 572383788 /nfs/dbraw/zinc/38/37/88/572383788.db2.gz DMMAGIMGAQWNHL-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCC[C@H](C(CC)CC)C1 ZINC000087174698 572384418 /nfs/dbraw/zinc/38/44/18/572384418.db2.gz DMMAGIMGAQWNHL-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](CCC(CC)CC)[NH2+]C ZINC000087174711 572384773 /nfs/dbraw/zinc/38/47/73/572384773.db2.gz OKLKXNBAXYNMQQ-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](CCC(CC)CC)[NH2+]C ZINC000087174713 572383599 /nfs/dbraw/zinc/38/35/99/572383599.db2.gz OKLKXNBAXYNMQQ-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](CCC(CC)CC)[NH2+]CC ZINC000087174716 572385047 /nfs/dbraw/zinc/38/50/47/572385047.db2.gz SEHCMPWUSCEQAT-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](CCC(CC)CC)[NH2+]CC ZINC000087174721 572384641 /nfs/dbraw/zinc/38/46/41/572384641.db2.gz SEHCMPWUSCEQAT-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CCC(CC)[C@@H]1CCCC[C@H]([NH2+]C)C1 ZINC000087174729 572385079 /nfs/dbraw/zinc/38/50/79/572385079.db2.gz YNNFENJQYXAQDU-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@H]1CCCC[C@H]([NH2+]C)C1 ZINC000087174730 572383574 /nfs/dbraw/zinc/38/35/74/572383574.db2.gz YNNFENJQYXAQDU-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@H]1CCCC[C@@H]([NH2+]C)C1 ZINC000087174733 572384559 /nfs/dbraw/zinc/38/45/59/572384559.db2.gz YNNFENJQYXAQDU-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@H]1CCCC[C@@H]([NH2+]C)C1 ZINC000087174735 572387375 /nfs/dbraw/zinc/38/73/75/572387375.db2.gz YNNFENJQYXAQDU-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)CCC(CC)CC ZINC000087174760 572388747 /nfs/dbraw/zinc/38/87/47/572388747.db2.gz OBZZZMRDYNDMHW-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@@H](CC)CCC(CC)CC ZINC000087174763 573811054 /nfs/dbraw/zinc/81/10/54/573811054.db2.gz OBZZZMRDYNDMHW-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC)CCC(CC)CC ZINC000087174765 572388344 /nfs/dbraw/zinc/38/83/44/572388344.db2.gz XUWBHJGAEWVDBH-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@H](CC)CCC(CC)CC ZINC000087174766 572387324 /nfs/dbraw/zinc/38/73/24/572387324.db2.gz XUWBHJGAEWVDBH-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CC[NH2+][C@@H](CCC(CC)CC)C(C)C ZINC000087174773 572386989 /nfs/dbraw/zinc/38/69/89/572386989.db2.gz JSMCUMVNKGYFBT-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CCC(CC)CC)C(C)C ZINC000087174776 572388881 /nfs/dbraw/zinc/38/88/81/572388881.db2.gz JSMCUMVNKGYFBT-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CCC(CC)CC)C1CC1 ZINC000087174791 572389005 /nfs/dbraw/zinc/38/90/05/572389005.db2.gz YISRZNWCBJZHKK-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC(CC)CC)C1CC1 ZINC000087174794 572388084 /nfs/dbraw/zinc/38/80/84/572388084.db2.gz YISRZNWCBJZHKK-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)CC[C@H]([NH2+]C)C(C)(C)C ZINC000087174802 572387411 /nfs/dbraw/zinc/38/74/11/572387411.db2.gz QJNCCFOTNWWEMR-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)CC[C@@H]([NH2+]C)C(C)(C)C ZINC000087174804 572388738 /nfs/dbraw/zinc/38/87/38/572388738.db2.gz QJNCCFOTNWWEMR-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000087174859 572386561 /nfs/dbraw/zinc/38/65/61/572386561.db2.gz ONBYPNDIYIWQDP-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C[C@H](C)C[NH2+]C(C)(C)C ZINC000087174862 572388144 /nfs/dbraw/zinc/38/81/44/572388144.db2.gz ONBYPNDIYIWQDP-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C[C@@H](C)C[NH2+]CC(C)C ZINC000087174865 572387231 /nfs/dbraw/zinc/38/72/31/572387231.db2.gz SVVMABKYJKRGBD-GFCCVEGCSA-N 1 0 199.382 3.694 10 0 AHAERO CCC(CC)C[C@H](C)C[NH2+]CC(C)C ZINC000087174867 572387977 /nfs/dbraw/zinc/38/79/77/572387977.db2.gz SVVMABKYJKRGBD-LBPRGKRZSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+][C@@H](C)C[C@@H](C)C(CC)CC ZINC000087174920 572389141 /nfs/dbraw/zinc/38/91/41/572389141.db2.gz KNIHCJULDQKWFF-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)C[C@@H](C)C(CC)CC ZINC000087174923 572387985 /nfs/dbraw/zinc/38/79/85/572387985.db2.gz KNIHCJULDQKWFF-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C)C[C@H](C)C(CC)CC ZINC000087174925 572388101 /nfs/dbraw/zinc/38/81/01/572388101.db2.gz KNIHCJULDQKWFF-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)C[C@H](C)C(CC)CC ZINC000087174928 572386499 /nfs/dbraw/zinc/38/64/99/572386499.db2.gz KNIHCJULDQKWFF-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)CC(C)(C)C(CC)CC ZINC000087174938 572387219 /nfs/dbraw/zinc/38/72/19/572387219.db2.gz ROPHFAAKSYZCSX-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C)CC(C)(C)C(CC)CC ZINC000087174942 572387276 /nfs/dbraw/zinc/38/72/76/572387276.db2.gz ROPHFAAKSYZCSX-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@]([NH3+])(CC)C(CC)CC ZINC000087175793 572388675 /nfs/dbraw/zinc/38/86/75/572388675.db2.gz PHTHJUYANWYHQH-LBPRGKRZSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@]([NH3+])(CC)C(CC)CC ZINC000087175795 572387158 /nfs/dbraw/zinc/38/71/58/572387158.db2.gz PHTHJUYANWYHQH-GFCCVEGCSA-N 1 0 185.355 3.720 10 0 AHAERO CCC(/C=C/CC[NH2+]C(C)(C)C)CC ZINC000087177835 572389012 /nfs/dbraw/zinc/38/90/12/572389012.db2.gz PZBBPNGCPQWKNN-CSKARUKUSA-N 1 0 197.366 3.757 10 0 AHAERO CCC(/C=C/CC[NH2+]CC(C)C)CC ZINC000087177838 572387828 /nfs/dbraw/zinc/38/78/28/572387828.db2.gz RPMXPDXPSXTVAZ-VQHVLOKHSA-N 1 0 197.366 3.615 10 0 AHAERO CCC[NH2+]CC/C=C(/C)C(CC)CC ZINC000087177847 572387075 /nfs/dbraw/zinc/38/70/75/572387075.db2.gz LUKQHPKMSUZYRB-XFXZXTDPSA-N 1 0 197.366 3.759 10 0 AHAERO CCC(CC)/C(C)=C/CC[NH2+]C(C)C ZINC000087177850 572388314 /nfs/dbraw/zinc/38/83/14/572388314.db2.gz FXIPDEZNRLWWHJ-FMIVXFBMSA-N 1 0 197.366 3.757 10 0 AHAERO CCC(CC)/C(C)=C/CC[NH2+]C1CC1 ZINC000087177853 573811955 /nfs/dbraw/zinc/81/19/55/573811955.db2.gz GSYRAMBLQLGZRN-YRNVUSSQSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000087290146 572416077 /nfs/dbraw/zinc/41/60/77/572416077.db2.gz WEHRXBVFUGSPSK-MNOVXSKESA-N 1 0 195.306 3.509 10 0 AHAERO CCCC[C@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000087290147 572414541 /nfs/dbraw/zinc/41/45/41/572414541.db2.gz WEHRXBVFUGSPSK-QWRGUYRKSA-N 1 0 195.306 3.509 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000087290148 572417362 /nfs/dbraw/zinc/41/73/62/572417362.db2.gz WEHRXBVFUGSPSK-GHMZBOCLSA-N 1 0 195.306 3.509 10 0 AHAERO CCCC[C@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000087290149 572416369 /nfs/dbraw/zinc/41/63/69/572416369.db2.gz WEHRXBVFUGSPSK-WDEREUQCSA-N 1 0 195.306 3.509 10 0 AHAERO CCCCCC(C)(C)C[NH2+]CCCC ZINC000087399030 572465472 /nfs/dbraw/zinc/46/54/72/572465472.db2.gz PEZCDCDJNAJEHX-UHFFFAOYSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCCC(C)(C)C[NH2+]C1CCC1 ZINC000087399045 572465850 /nfs/dbraw/zinc/46/58/50/572465850.db2.gz UECDSCWZQFRENL-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC(C)(C)C[NH2+][C@@H](C)CC ZINC000087399072 572463286 /nfs/dbraw/zinc/46/32/86/572463286.db2.gz LUGKPMMNSQBOGI-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC(C)(C)C[NH2+][C@H](C)CC ZINC000087399073 572465381 /nfs/dbraw/zinc/46/53/81/572465381.db2.gz LUGKPMMNSQBOGI-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC(C)(C)CNC(=[NH2+])CC ZINC000087400279 572467575 /nfs/dbraw/zinc/46/75/75/572467575.db2.gz KUEPRFVDNPRSOV-UHFFFAOYSA-N 1 0 198.354 3.570 10 0 AHAERO CCC[NH2+]C1CC(CCC)(CCC)C1 ZINC000087439835 572486741 /nfs/dbraw/zinc/48/67/41/572486741.db2.gz HWKNWCLZGLSVQJ-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC1(CCC)CC([NH2+]C(C)C)C1 ZINC000087439869 572486999 /nfs/dbraw/zinc/48/69/99/572486999.db2.gz OXMQFUAAEBGMPO-UHFFFAOYSA-N 1 0 197.366 3.733 10 0 AHAERO CC[NH2+]CCCCCC1CCCCC1 ZINC000087474370 572505411 /nfs/dbraw/zinc/50/54/11/572505411.db2.gz YEGUAROJSABAQG-UHFFFAOYSA-N 1 0 197.366 3.737 10 0 AHAERO CC(C)C[C@H]([NH3+])CCC1CCCCC1 ZINC000087521671 572548527 /nfs/dbraw/zinc/54/85/27/572548527.db2.gz ZBHKVLDOQYUNBM-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)C[C@@H]([NH3+])CCC1CCCCC1 ZINC000087521673 572549242 /nfs/dbraw/zinc/54/92/42/572549242.db2.gz ZBHKVLDOQYUNBM-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)CC[C@H]([NH3+])CC(C)C ZINC000087521676 572547747 /nfs/dbraw/zinc/54/77/47/572547747.db2.gz UKMQYCIPRSNKDF-NEPJUHHUSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)CC[C@H]([NH3+])CC(C)C ZINC000087521678 572548104 /nfs/dbraw/zinc/54/81/04/572548104.db2.gz UKMQYCIPRSNKDF-RYUDHWBXSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H](C)CC[C@@H]([NH3+])CC(C)C ZINC000087521681 572549835 /nfs/dbraw/zinc/54/98/35/572549835.db2.gz UKMQYCIPRSNKDF-VXGBXAGGSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)CC[C@@H]([NH3+])CC(C)C ZINC000087521682 572548742 /nfs/dbraw/zinc/54/87/42/572548742.db2.gz UKMQYCIPRSNKDF-NWDGAFQWSA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)C[C@H]([NH3+])CCCC(C)(C)C ZINC000087521779 572548532 /nfs/dbraw/zinc/54/85/32/572548532.db2.gz ICYXINRNMRPAFX-LLVKDONJSA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)C[C@@H]([NH3+])CCCC(C)(C)C ZINC000087521780 572548691 /nfs/dbraw/zinc/54/86/91/572548691.db2.gz ICYXINRNMRPAFX-NSHDSACASA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H](C)CC[C@@H](CC(C)C)[NH2+]C ZINC000087521988 572549712 /nfs/dbraw/zinc/54/97/12/572549712.db2.gz LYTRHWLPUWKSJE-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)CC[C@@H](CC(C)C)[NH2+]C ZINC000087521990 572548959 /nfs/dbraw/zinc/54/89/59/572548959.db2.gz LYTRHWLPUWKSJE-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)CC[C@H](CC(C)C)[NH2+]C ZINC000087521991 572548232 /nfs/dbraw/zinc/54/82/32/572548232.db2.gz LYTRHWLPUWKSJE-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)CC[C@H](CC(C)C)[NH2+]C ZINC000087521993 572549331 /nfs/dbraw/zinc/54/93/31/572549331.db2.gz LYTRHWLPUWKSJE-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@H](CCC1CCCC1)CC(C)C ZINC000087521999 572548354 /nfs/dbraw/zinc/54/83/54/572548354.db2.gz QSTOZYUWKLYMIH-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](CCC1CCCC1)CC(C)C ZINC000087522001 572548770 /nfs/dbraw/zinc/54/87/70/572548770.db2.gz QSTOZYUWKLYMIH-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](CCCC(C)(C)C)CC(C)C ZINC000087522061 572549194 /nfs/dbraw/zinc/54/91/94/572549194.db2.gz GWHFUBRAOPXNCQ-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@@H](CCCC(C)(C)C)CC(C)C ZINC000087522063 572549256 /nfs/dbraw/zinc/54/92/56/572549256.db2.gz GWHFUBRAOPXNCQ-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC[C@H](C)CC)CC(C)C ZINC000087522149 572547491 /nfs/dbraw/zinc/54/74/91/572547491.db2.gz FECXTGJYIRPHJB-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC[C@@H](C)CC)CC(C)C ZINC000087522151 572548106 /nfs/dbraw/zinc/54/81/06/572548106.db2.gz FECXTGJYIRPHJB-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CC[C@H](C)CC)CC(C)C ZINC000087522153 572549636 /nfs/dbraw/zinc/54/96/36/572549636.db2.gz FECXTGJYIRPHJB-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CC[C@@H](C)CC)CC(C)C ZINC000087522155 572548345 /nfs/dbraw/zinc/54/83/45/572548345.db2.gz FECXTGJYIRPHJB-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CCCC(C)C)CC(C)C ZINC000087522206 572549003 /nfs/dbraw/zinc/54/90/03/572549003.db2.gz YBXMKLJUGHERKZ-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CCCC(C)C)CC(C)C ZINC000087522207 572547624 /nfs/dbraw/zinc/54/76/24/572547624.db2.gz YBXMKLJUGHERKZ-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](CC)C[C@H]([NH3+])C1(C)CC1 ZINC000087550895 572571508 /nfs/dbraw/zinc/57/15/08/572571508.db2.gz OYPRIESFRIWMFX-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)C[C@H]([NH3+])C1(C)CC1 ZINC000087550897 572572446 /nfs/dbraw/zinc/57/24/46/572572446.db2.gz OYPRIESFRIWMFX-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H](CC)C[C@@H]([NH3+])C1(C)CC1 ZINC000087550899 572572903 /nfs/dbraw/zinc/57/29/03/572572903.db2.gz OYPRIESFRIWMFX-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)C[C@@H]([NH3+])C1(C)CC1 ZINC000087550900 572572963 /nfs/dbraw/zinc/57/29/63/572572963.db2.gz OYPRIESFRIWMFX-NWDGAFQWSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCCC[C@H]([NH2+]CC)C1(C)CC1 ZINC000087552453 572570901 /nfs/dbraw/zinc/57/09/01/572570901.db2.gz HMQSPQPFIHNXPH-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@@H]([NH2+]CC)C1(C)CC1 ZINC000087552455 572573396 /nfs/dbraw/zinc/57/33/96/572573396.db2.gz HMQSPQPFIHNXPH-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H](CCC(C)(C)C)C1(C)CC1 ZINC000087552646 572571419 /nfs/dbraw/zinc/57/14/19/572571419.db2.gz NQJJMUNBPAFXRY-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC(C)(C)C)C1(C)CC1 ZINC000087552648 572571612 /nfs/dbraw/zinc/57/16/12/572571612.db2.gz NQJJMUNBPAFXRY-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@H]([NH2+]CC)C1(C)CC1 ZINC000087552762 572572545 /nfs/dbraw/zinc/57/25/45/572572545.db2.gz PBPMZTDMHQREOX-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@H]([NH2+]CC)C1(C)CC1 ZINC000087552765 572572284 /nfs/dbraw/zinc/57/22/84/572572284.db2.gz PBPMZTDMHQREOX-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@@H]([NH2+]CC)C1(C)CC1 ZINC000087552767 572572012 /nfs/dbraw/zinc/57/20/12/572572012.db2.gz PBPMZTDMHQREOX-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH2+]CC)C1(C)CC1 ZINC000087552769 572572323 /nfs/dbraw/zinc/57/23/23/572572323.db2.gz PBPMZTDMHQREOX-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CCC(C)C)C1(C)CC1 ZINC000087553054 572576586 /nfs/dbraw/zinc/57/65/86/572576586.db2.gz DVUFFOBCTQHAQF-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CCC(C)C)C1(C)CC1 ZINC000087553057 572575383 /nfs/dbraw/zinc/57/53/83/572575383.db2.gz DVUFFOBCTQHAQF-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H]([NH2+]CCC)C1(C)CC1 ZINC000087553228 572576638 /nfs/dbraw/zinc/57/66/38/572576638.db2.gz ZAVONNWAHQYEOV-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@@H]([NH2+]CCC)C1(C)CC1 ZINC000087553230 572574395 /nfs/dbraw/zinc/57/43/95/572574395.db2.gz ZAVONNWAHQYEOV-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H](C[C@@H](C)CC)C1(C)CC1 ZINC000087553253 572576879 /nfs/dbraw/zinc/57/68/79/572576879.db2.gz CSEXZWYOIAJCBL-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C[C@@H](C)CC)C1(C)CC1 ZINC000087553255 572575517 /nfs/dbraw/zinc/57/55/17/572575517.db2.gz CSEXZWYOIAJCBL-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C[C@H](C)CC)C1(C)CC1 ZINC000087553257 573950301 /nfs/dbraw/zinc/95/03/01/573950301.db2.gz CSEXZWYOIAJCBL-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C[C@H](C)CC)C1(C)CC1 ZINC000087553259 572575159 /nfs/dbraw/zinc/57/51/59/572575159.db2.gz CSEXZWYOIAJCBL-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C(CC)CC)C1(C)CC1 ZINC000087553350 572577057 /nfs/dbraw/zinc/57/70/57/572577057.db2.gz HMWJHKPYDQZIRR-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C(CC)CC)C1(C)CC1 ZINC000087553352 572575595 /nfs/dbraw/zinc/57/55/95/572575595.db2.gz HMWJHKPYDQZIRR-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)C[C@H]([NH3+])CC1CC1 ZINC000087581847 573953028 /nfs/dbraw/zinc/95/30/28/573953028.db2.gz AMTCXYWMYFKESO-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)C[C@H]([NH3+])CC1CC1 ZINC000087581849 572576551 /nfs/dbraw/zinc/57/65/51/572576551.db2.gz AMTCXYWMYFKESO-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H](CC)C[C@@H]([NH3+])CC1CC1 ZINC000087581851 572575092 /nfs/dbraw/zinc/57/50/92/572575092.db2.gz AMTCXYWMYFKESO-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)C[C@@H]([NH3+])CC1CC1 ZINC000087581853 572575885 /nfs/dbraw/zinc/57/58/85/572575885.db2.gz AMTCXYWMYFKESO-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCCCC[C@@H](CC1CC1)[NH2+]CC ZINC000087582693 572578247 /nfs/dbraw/zinc/57/82/47/572578247.db2.gz XGQJSZSGAPXOSA-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H](CC1CC1)[NH2+]CC ZINC000087582695 572579015 /nfs/dbraw/zinc/57/90/15/572579015.db2.gz XGQJSZSGAPXOSA-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H](CCC(C)(C)C)CC1CC1 ZINC000087582786 572578349 /nfs/dbraw/zinc/57/83/49/572578349.db2.gz GZUAKKAZJDBDEB-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC(C)(C)C)CC1CC1 ZINC000087582788 572579884 /nfs/dbraw/zinc/57/98/84/572579884.db2.gz GZUAKKAZJDBDEB-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@@H](CC1CC1)[NH2+]CC ZINC000087582854 572581190 /nfs/dbraw/zinc/58/11/90/572581190.db2.gz HREIQYRBVNLEBB-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@@H](CC1CC1)[NH2+]CC ZINC000087582856 572578413 /nfs/dbraw/zinc/57/84/13/572578413.db2.gz HREIQYRBVNLEBB-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@H](CC1CC1)[NH2+]CC ZINC000087582858 572577993 /nfs/dbraw/zinc/57/79/93/572577993.db2.gz HREIQYRBVNLEBB-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@H](CC1CC1)[NH2+]CC ZINC000087582860 573953606 /nfs/dbraw/zinc/95/36/06/573953606.db2.gz HREIQYRBVNLEBB-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@H](CC1CC1)[NH2+]CCC ZINC000087583088 573953385 /nfs/dbraw/zinc/95/33/85/573953385.db2.gz HZHVMWBKPFAAMJ-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H](CC1CC1)[NH2+]CCC ZINC000087583089 572578071 /nfs/dbraw/zinc/57/80/71/572578071.db2.gz HZHVMWBKPFAAMJ-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H](CC1CC1)C(CC)CC ZINC000087583165 572577951 /nfs/dbraw/zinc/57/79/51/572577951.db2.gz YUKHRGBKFNPPIH-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC1CC1)C(CC)CC ZINC000087583167 572578728 /nfs/dbraw/zinc/57/87/28/572578728.db2.gz YUKHRGBKFNPPIH-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC/C(=C\C1CCC1)C[NH2+]C(C)(C)C ZINC000087586649 572588337 /nfs/dbraw/zinc/58/83/37/572588337.db2.gz OIDWZSJODKSXSR-PKNBQFBNSA-N 1 0 195.350 3.511 10 0 AHAERO CCCCC[C@@H](C)[C@H]([NH2+]CC)C(C)C ZINC000087649363 572645405 /nfs/dbraw/zinc/64/54/05/572645405.db2.gz UDTAYKYSRFUABF-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@H](C)[C@H]([NH2+]CC)C(C)C ZINC000087649364 572644358 /nfs/dbraw/zinc/64/43/58/572644358.db2.gz UDTAYKYSRFUABF-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@@H](C)[C@@H]([NH2+]CC)C(C)C ZINC000087649365 572643172 /nfs/dbraw/zinc/64/31/72/572643172.db2.gz UDTAYKYSRFUABF-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@H](C)[C@@H]([NH2+]CC)C(C)C ZINC000087649366 572644517 /nfs/dbraw/zinc/64/45/17/572644517.db2.gz UDTAYKYSRFUABF-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@]1(C)C[C@@H]1C[NH2+]CCC ZINC000087649705 572649399 /nfs/dbraw/zinc/64/93/99/572649399.db2.gz NUKSPHGAZHHNKZ-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@@]1(C)C[C@@H]1C[NH2+]CCC ZINC000087649706 572648127 /nfs/dbraw/zinc/64/81/27/572648127.db2.gz NUKSPHGAZHHNKZ-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@]1(C)C[C@H]1C[NH2+]CCC ZINC000087649707 572647072 /nfs/dbraw/zinc/64/70/72/572647072.db2.gz NUKSPHGAZHHNKZ-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@@]1(C)C[C@H]1C[NH2+]CCC ZINC000087649708 572646888 /nfs/dbraw/zinc/64/68/88/572646888.db2.gz NUKSPHGAZHHNKZ-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@]1(C)C[C@@H]1C[NH2+]C(C)C ZINC000087649709 572647859 /nfs/dbraw/zinc/64/78/59/572647859.db2.gz DCQGAOGFMRLINN-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@]1(C)C[C@@H]1C[NH2+]C(C)C ZINC000087649710 572649683 /nfs/dbraw/zinc/64/96/83/572649683.db2.gz DCQGAOGFMRLINN-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@]1(C)C[C@H]1C[NH2+]C(C)C ZINC000087649711 572649261 /nfs/dbraw/zinc/64/92/61/572649261.db2.gz DCQGAOGFMRLINN-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@]1(C)C[C@H]1C[NH2+]C(C)C ZINC000087649712 572648787 /nfs/dbraw/zinc/64/87/87/572648787.db2.gz DCQGAOGFMRLINN-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@]1(C)CC[NH2+]C[C@@H]1CC ZINC000087650203 572649914 /nfs/dbraw/zinc/64/99/14/572649914.db2.gz PWXFXCHYZOKXTJ-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@@]1(C)CC[NH2+]C[C@@H]1CC ZINC000087650204 572649098 /nfs/dbraw/zinc/64/90/98/572649098.db2.gz PWXFXCHYZOKXTJ-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@]1(C)CC[NH2+]C[C@H]1CC ZINC000087650205 572649500 /nfs/dbraw/zinc/64/95/00/572649500.db2.gz PWXFXCHYZOKXTJ-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@@]1(C)CC[NH2+]C[C@H]1CC ZINC000087650206 572647674 /nfs/dbraw/zinc/64/76/74/572647674.db2.gz PWXFXCHYZOKXTJ-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)CC1(C[NH3+])CCCCCCC1 ZINC000087690067 574018815 /nfs/dbraw/zinc/01/88/15/574018815.db2.gz HVJJLAXXQSFEGL-UHFFFAOYSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCC1(C[NH3+])CCCCCCC1 ZINC000087690068 572680080 /nfs/dbraw/zinc/68/00/80/572680080.db2.gz VWFKPFAEOLISNC-UHFFFAOYSA-N 1 0 197.366 3.866 10 0 AHAERO CC(C)CCC1([NH3+])CCCCCCC1 ZINC000087690152 574019154 /nfs/dbraw/zinc/01/91/54/574019154.db2.gz UGBBMHKMTZLOKK-UHFFFAOYSA-N 1 0 197.366 3.864 10 0 AHAERO CC[C@@H](C)CC1([NH3+])CCCCCCC1 ZINC000087690232 574018209 /nfs/dbraw/zinc/01/82/09/574018209.db2.gz JEHVMMQHUHYEOU-GFCCVEGCSA-N 1 0 197.366 3.864 10 0 AHAERO CC[C@H](C)CC1([NH3+])CCCCCCC1 ZINC000087690233 574019211 /nfs/dbraw/zinc/01/92/11/574019211.db2.gz JEHVMMQHUHYEOU-LBPRGKRZSA-N 1 0 197.366 3.864 10 0 AHAERO CC(C)=C[C@H]([NH3+])C1CCCCCCC1 ZINC000087690279 574019297 /nfs/dbraw/zinc/01/92/97/574019297.db2.gz ADJDHOOLXHSXDK-ZDUSSCGKSA-N 1 0 195.350 3.640 10 0 AHAERO CC(C)=C[C@@H]([NH3+])C1CCCCCCC1 ZINC000087690280 574017908 /nfs/dbraw/zinc/01/79/08/574017908.db2.gz ADJDHOOLXHSXDK-CYBMUJFWSA-N 1 0 195.350 3.640 10 0 AHAERO CC(C)C[C@H]([NH3+])C1CCCCCCC1 ZINC000087690299 574017456 /nfs/dbraw/zinc/01/74/56/574017456.db2.gz OUZABJWJWVTGMO-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)C[C@@H]([NH3+])C1CCCCCCC1 ZINC000087690300 574018140 /nfs/dbraw/zinc/01/81/40/574018140.db2.gz OUZABJWJWVTGMO-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)[C@H]([NH3+])C1CCCCCCC1 ZINC000087690315 574017429 /nfs/dbraw/zinc/01/74/29/574017429.db2.gz DFNOUJBZGONANA-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)[C@@H]([NH3+])C1CCCCCCC1 ZINC000087690316 574018193 /nfs/dbraw/zinc/01/81/93/574018193.db2.gz DFNOUJBZGONANA-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H]([NH3+])C1CCCCCCC1 ZINC000087690331 572680038 /nfs/dbraw/zinc/68/00/38/572680038.db2.gz GIFLERCRBANBTL-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO CCCC[C@@H]([NH3+])C1CCCCCCC1 ZINC000087690332 572679948 /nfs/dbraw/zinc/67/99/48/572679948.db2.gz GIFLERCRBANBTL-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CC[C@@H](C)[C@H]([NH3+])C1CCCCCCC1 ZINC000087690387 574017434 /nfs/dbraw/zinc/01/74/34/574017434.db2.gz NCTFYGHNYIEWOA-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)[C@H]([NH3+])C1CCCCCCC1 ZINC000087690388 574019101 /nfs/dbraw/zinc/01/91/01/574019101.db2.gz NCTFYGHNYIEWOA-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)[C@@H]([NH3+])C1CCCCCCC1 ZINC000087690389 574017859 /nfs/dbraw/zinc/01/78/59/574017859.db2.gz NCTFYGHNYIEWOA-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)[C@@H]([NH3+])C1CCCCCCC1 ZINC000087690390 574017380 /nfs/dbraw/zinc/01/73/80/574017380.db2.gz NCTFYGHNYIEWOA-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H]([NH2+]C)C1CCCCCCC1 ZINC000087690453 572680632 /nfs/dbraw/zinc/68/06/32/572680632.db2.gz KXCVUNKQJNYADX-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H]([NH2+]C)C1CCCCCCC1 ZINC000087690454 572681309 /nfs/dbraw/zinc/68/13/09/572681309.db2.gz KXCVUNKQJNYADX-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087769640 572708503 /nfs/dbraw/zinc/70/85/03/572708503.db2.gz OHUSCFCYFWQNRF-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000087769642 572705281 /nfs/dbraw/zinc/70/52/81/572705281.db2.gz OHUSCFCYFWQNRF-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)(C)CC[C@@]1([NH3+])CCC(C)(C)C1 ZINC000087769920 574028364 /nfs/dbraw/zinc/02/83/64/574028364.db2.gz GCPYAUOGDSNKAT-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CC[C@]1([NH3+])CCC(C)(C)C1 ZINC000087769922 574027741 /nfs/dbraw/zinc/02/77/41/574027741.db2.gz GCPYAUOGDSNKAT-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)C[C@]1([NH3+])CCC(C)(C)C1 ZINC000087770473 572707380 /nfs/dbraw/zinc/70/73/80/572707380.db2.gz WRPQUFJCVNWNKO-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@]1([NH3+])CCC(C)(C)C1 ZINC000087770475 572707445 /nfs/dbraw/zinc/70/74/45/572707445.db2.gz WRPQUFJCVNWNKO-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)C[C@@]1([NH3+])CCC(C)(C)C1 ZINC000087770477 572705254 /nfs/dbraw/zinc/70/52/54/572705254.db2.gz WRPQUFJCVNWNKO-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@@]1([NH3+])CCC(C)(C)C1 ZINC000087770479 572708375 /nfs/dbraw/zinc/70/83/75/572708375.db2.gz WRPQUFJCVNWNKO-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCCC[C@]1([NH3+])CCC(C)(C)C1 ZINC000087770514 572706937 /nfs/dbraw/zinc/70/69/37/572706937.db2.gz KUHWFSVZGFCAOV-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@@]1([NH3+])CCC(C)(C)C1 ZINC000087770516 572707464 /nfs/dbraw/zinc/70/74/64/572707464.db2.gz KUHWFSVZGFCAOV-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CCC[NH2+][C@@H](CC)[C@@H]1CCC(C)(C)C1 ZINC000087770828 572706045 /nfs/dbraw/zinc/70/60/45/572706045.db2.gz UAXFGFBKUIOYAQ-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC)[C@@H]1CCC(C)(C)C1 ZINC000087770829 572706398 /nfs/dbraw/zinc/70/63/98/572706398.db2.gz UAXFGFBKUIOYAQ-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC)[C@H]1CCC(C)(C)C1 ZINC000087770831 572708460 /nfs/dbraw/zinc/70/84/60/572708460.db2.gz UAXFGFBKUIOYAQ-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC)[C@H]1CCC(C)(C)C1 ZINC000087770833 572707864 /nfs/dbraw/zinc/70/78/64/572707864.db2.gz UAXFGFBKUIOYAQ-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087771227 572708528 /nfs/dbraw/zinc/70/85/28/572708528.db2.gz KGLXASILMRPJIP-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000087771228 572708189 /nfs/dbraw/zinc/70/81/89/572708189.db2.gz KGLXASILMRPJIP-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087771328 572708237 /nfs/dbraw/zinc/70/82/37/572708237.db2.gz ZWHBJEKPZMLFHL-IJLUTSLNSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087771331 572706109 /nfs/dbraw/zinc/70/61/09/572706109.db2.gz ZWHBJEKPZMLFHL-GRYCIOLGSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(C)C ZINC000087771348 491031904 /nfs/dbraw/zinc/03/19/04/491031904.db2.gz QGMRIQYMRIFYJT-NEPJUHHUSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C(C)C ZINC000087771350 491031842 /nfs/dbraw/zinc/03/18/42/491031842.db2.gz QGMRIQYMRIFYJT-VXGBXAGGSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(C)C ZINC000087771352 491031910 /nfs/dbraw/zinc/03/19/10/491031910.db2.gz QGMRIQYMRIFYJT-RYUDHWBXSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C(C)C ZINC000087771354 491031920 /nfs/dbraw/zinc/03/19/20/491031920.db2.gz QGMRIQYMRIFYJT-NWDGAFQWSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] ZINC000087936270 572761114 /nfs/dbraw/zinc/76/11/14/572761114.db2.gz WYSRDPOACUEDHS-WXHSDQCUSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000087936271 572760032 /nfs/dbraw/zinc/76/00/32/572760032.db2.gz WYSRDPOACUEDHS-DRZSPHRISA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@@H]1C[C@H](CC)CC[C@H]1[NH3+] ZINC000087936272 572758709 /nfs/dbraw/zinc/75/87/09/572758709.db2.gz WYSRDPOACUEDHS-KGYLQXTDSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H]1CC[C@H]([NH3+])[C@H]([C@@H](C)CC)C1 ZINC000087936358 572761154 /nfs/dbraw/zinc/76/11/54/572761154.db2.gz LNSRZNWWNXAEND-RNJOBUHISA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H]1CC[C@H]([NH3+])[C@H]([C@@H](C)CC)C1 ZINC000087936359 572761060 /nfs/dbraw/zinc/76/10/60/572761060.db2.gz LNSRZNWWNXAEND-CYDGBPFRSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H]1CC[C@@H]([NH3+])[C@H]([C@@H](C)CC)C1 ZINC000087936360 572760272 /nfs/dbraw/zinc/76/02/72/572760272.db2.gz LNSRZNWWNXAEND-QNWHQSFQSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H]1CC[C@@H]([NH3+])[C@H]([C@@H](C)CC)C1 ZINC000087936361 572759428 /nfs/dbraw/zinc/75/94/28/572759428.db2.gz LNSRZNWWNXAEND-ZDEQEGDKSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H]1CC[C@H]([NH3+])[C@H](C(C)(C)C)C1 ZINC000087936374 573016429 /nfs/dbraw/zinc/01/64/29/573016429.db2.gz QSMFPAWSZKKBDP-UTUOFQBUSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H]1CC[C@H]([NH3+])[C@H](C(C)(C)C)C1 ZINC000087936375 572759215 /nfs/dbraw/zinc/75/92/15/572759215.db2.gz QSMFPAWSZKKBDP-TUAOUCFPSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H]1CC[C@@H]([NH3+])[C@H](C(C)(C)C)C1 ZINC000087936376 573018235 /nfs/dbraw/zinc/01/82/35/573018235.db2.gz QSMFPAWSZKKBDP-IJLUTSLNSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H]1CC[C@@H]([NH3+])[C@H](C(C)(C)C)C1 ZINC000087936377 572761147 /nfs/dbraw/zinc/76/11/47/572761147.db2.gz QSMFPAWSZKKBDP-QJPTWQEYSA-N 1 0 197.366 3.576 10 0 AHAERO CCCCC[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000087936598 572759332 /nfs/dbraw/zinc/75/93/32/572759332.db2.gz GJSYTKNUESASKC-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000087936599 572760824 /nfs/dbraw/zinc/76/08/24/572760824.db2.gz GJSYTKNUESASKC-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000087936600 572758973 /nfs/dbraw/zinc/75/89/73/572758973.db2.gz GJSYTKNUESASKC-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000087936601 572760422 /nfs/dbraw/zinc/76/04/22/572760422.db2.gz GJSYTKNUESASKC-NWDGAFQWSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)C[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000087936606 572758631 /nfs/dbraw/zinc/75/86/31/572758631.db2.gz AUNWYPRJIOTTGM-UTUOFQBUSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000087936607 573017278 /nfs/dbraw/zinc/01/72/78/573017278.db2.gz AUNWYPRJIOTTGM-TUAOUCFPSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](C)C[C@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000087936608 572758650 /nfs/dbraw/zinc/75/86/50/572758650.db2.gz AUNWYPRJIOTTGM-WOPDTQHZSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000087936609 573017624 /nfs/dbraw/zinc/01/76/24/573017624.db2.gz AUNWYPRJIOTTGM-SRVKXCTJSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000087936642 573016992 /nfs/dbraw/zinc/01/69/92/573016992.db2.gz PZCJUJJKNGXADO-NEPJUHHUSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000087936643 573017179 /nfs/dbraw/zinc/01/71/79/573017179.db2.gz PZCJUJJKNGXADO-RYUDHWBXSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000087936644 573019063 /nfs/dbraw/zinc/01/90/63/573019063.db2.gz PZCJUJJKNGXADO-VXGBXAGGSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000087936645 573019441 /nfs/dbraw/zinc/01/94/41/573019441.db2.gz PZCJUJJKNGXADO-NWDGAFQWSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000087936830 573020352 /nfs/dbraw/zinc/02/03/52/573020352.db2.gz BKTZROKVISZIIJ-RYUDHWBXSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000087936831 573017321 /nfs/dbraw/zinc/01/73/21/573017321.db2.gz BKTZROKVISZIIJ-NEPJUHHUSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000087936832 573019106 /nfs/dbraw/zinc/01/91/06/573019106.db2.gz BKTZROKVISZIIJ-NWDGAFQWSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000087936833 573019277 /nfs/dbraw/zinc/01/92/77/573019277.db2.gz BKTZROKVISZIIJ-VXGBXAGGSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](C)CC[NH3+] ZINC000087936992 572760773 /nfs/dbraw/zinc/76/07/73/572760773.db2.gz PQFLGLAYJJARFE-NWDGAFQWSA-N 1 0 185.355 3.578 10 0 AHAERO CCCC[C@H](CC)C[C@@H](C)CC[NH3+] ZINC000087936993 572761018 /nfs/dbraw/zinc/76/10/18/572761018.db2.gz PQFLGLAYJJARFE-RYUDHWBXSA-N 1 0 185.355 3.578 10 0 AHAERO CCCC[C@@H](CC)C[C@H](C)CC[NH3+] ZINC000087936994 572761282 /nfs/dbraw/zinc/76/12/82/572761282.db2.gz PQFLGLAYJJARFE-VXGBXAGGSA-N 1 0 185.355 3.578 10 0 AHAERO CCCC[C@H](CC)C[C@H](C)CC[NH3+] ZINC000087936995 572759712 /nfs/dbraw/zinc/75/97/12/572759712.db2.gz PQFLGLAYJJARFE-NEPJUHHUSA-N 1 0 185.355 3.578 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1C(C)(C)CC[NH3+] ZINC000087937284 572759508 /nfs/dbraw/zinc/75/95/08/572759508.db2.gz GJHYBGCHADENAD-NEPJUHHUSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H]1CCCC[C@@H]1C(C)(C)CC[NH3+] ZINC000087937285 572761261 /nfs/dbraw/zinc/76/12/61/572761261.db2.gz GJHYBGCHADENAD-RYUDHWBXSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CCCC[C@H]1C(C)(C)CC[NH3+] ZINC000087937286 572759466 /nfs/dbraw/zinc/75/94/66/572759466.db2.gz GJHYBGCHADENAD-VXGBXAGGSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H]1CCCC[C@H]1C(C)(C)CC[NH3+] ZINC000087937287 572761237 /nfs/dbraw/zinc/76/12/37/572761237.db2.gz GJHYBGCHADENAD-NWDGAFQWSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@@H](CC)CC(C)(C)CC[NH3+] ZINC000087937289 572760223 /nfs/dbraw/zinc/76/02/23/572760223.db2.gz PFMDZCACFOUBAY-GFCCVEGCSA-N 1 0 199.382 3.968 10 0 AHAERO CCCC[C@H](CC)CC(C)(C)CC[NH3+] ZINC000087937290 572760768 /nfs/dbraw/zinc/76/07/68/572760768.db2.gz PFMDZCACFOUBAY-LBPRGKRZSA-N 1 0 199.382 3.968 10 0 AHAERO CC[C@@H]1CCC[C@H](C(C)(C)CC[NH3+])C1 ZINC000087937303 572759644 /nfs/dbraw/zinc/75/96/44/572759644.db2.gz IWQAOJYQZHEQPL-NEPJUHHUSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H]1CCC[C@H](C(C)(C)CC[NH3+])C1 ZINC000087937304 572760305 /nfs/dbraw/zinc/76/03/05/572760305.db2.gz IWQAOJYQZHEQPL-RYUDHWBXSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CCC[C@@H](C(C)(C)CC[NH3+])C1 ZINC000087937305 572760302 /nfs/dbraw/zinc/76/03/02/572760302.db2.gz IWQAOJYQZHEQPL-VXGBXAGGSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H]1CCC[C@@H](C(C)(C)CC[NH3+])C1 ZINC000087937306 572758544 /nfs/dbraw/zinc/75/85/44/572758544.db2.gz IWQAOJYQZHEQPL-NWDGAFQWSA-N 1 0 197.366 3.578 10 0 AHAERO CCC1CCC(C(C)(C)CC[NH3+])CC1 ZINC000087937311 572760811 /nfs/dbraw/zinc/76/08/11/572760811.db2.gz HHYBJDMPOXJBEA-UHFFFAOYSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](C)[C@@H](C)C[NH3+] ZINC000087938118 572753441 /nfs/dbraw/zinc/75/34/41/572753441.db2.gz DJVHDRKSYIZWSY-FRRDWIJNSA-N 1 0 199.382 3.824 10 0 AHAERO CCCC[C@H](CC)C[C@@H](C)[C@@H](C)C[NH3+] ZINC000087938120 572753315 /nfs/dbraw/zinc/75/33/15/572753315.db2.gz DJVHDRKSYIZWSY-AGIUHOORSA-N 1 0 199.382 3.824 10 0 AHAERO CCCC[C@@H](CC)C[C@H](C)[C@@H](C)C[NH3+] ZINC000087938122 572752438 /nfs/dbraw/zinc/75/24/38/572752438.db2.gz DJVHDRKSYIZWSY-RWMBFGLXSA-N 1 0 199.382 3.824 10 0 AHAERO CCCC[C@H](CC)C[C@H](C)[C@@H](C)C[NH3+] ZINC000087938124 572753478 /nfs/dbraw/zinc/75/34/78/572753478.db2.gz DJVHDRKSYIZWSY-AVGNSLFASA-N 1 0 199.382 3.824 10 0 AHAERO CC(C)(C)CC[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000087940913 572755189 /nfs/dbraw/zinc/75/51/89/572755189.db2.gz PSELDBJQPQMLOU-NWDGAFQWSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)(C)CC[C@H]1CCCC[C@@H]1C[NH3+] ZINC000087940915 572757822 /nfs/dbraw/zinc/75/78/22/572757822.db2.gz PSELDBJQPQMLOU-VXGBXAGGSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)(C)CC[C@@H]1CCCC[C@H]1C[NH3+] ZINC000087940916 572757072 /nfs/dbraw/zinc/75/70/72/572757072.db2.gz PSELDBJQPQMLOU-RYUDHWBXSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)(C)CC[C@H]1CCCC[C@H]1C[NH3+] ZINC000087940918 572757499 /nfs/dbraw/zinc/75/74/99/572757499.db2.gz PSELDBJQPQMLOU-NEPJUHHUSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCCC[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000087941209 573021768 /nfs/dbraw/zinc/02/17/68/573021768.db2.gz NGFCURKMHGVMNH-CHWSQXEVSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCCC[C@H]1CCCC[C@@H]1C[NH3+] ZINC000087941212 572757024 /nfs/dbraw/zinc/75/70/24/572757024.db2.gz NGFCURKMHGVMNH-QWHCGFSZSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCCC[C@@H]1CCCC[C@H]1C[NH3+] ZINC000087941213 572757494 /nfs/dbraw/zinc/75/74/94/572757494.db2.gz NGFCURKMHGVMNH-OLZOCXBDSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCCC[C@H]1CCCC[C@H]1C[NH3+] ZINC000087941216 572756931 /nfs/dbraw/zinc/75/69/31/572756931.db2.gz NGFCURKMHGVMNH-STQMWFEESA-N 1 0 197.366 3.722 10 0 AHAERO CCC[C@@H](C)C[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000087941333 572757643 /nfs/dbraw/zinc/75/76/43/572757643.db2.gz IQVVUXOAMORNPM-FRRDWIJNSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@H](C)C[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000087941335 572756839 /nfs/dbraw/zinc/75/68/39/572756839.db2.gz IQVVUXOAMORNPM-RWMBFGLXSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@@H](C)C[C@H]1CCCC[C@@H]1C[NH3+] ZINC000087941337 572757918 /nfs/dbraw/zinc/75/79/18/572757918.db2.gz IQVVUXOAMORNPM-JHJVBQTASA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@H](C)C[C@H]1CCCC[C@@H]1C[NH3+] ZINC000087941338 572757871 /nfs/dbraw/zinc/75/78/71/572757871.db2.gz IQVVUXOAMORNPM-YNEHKIRRSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@@H](CC)C[C@@H]1CC[C@@H]1C[NH3+] ZINC000087942455 572755438 /nfs/dbraw/zinc/75/54/38/572755438.db2.gz SKPQLLPGMOEUFL-FRRDWIJNSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@H](CC)C[C@@H]1CC[C@@H]1C[NH3+] ZINC000087942457 572755905 /nfs/dbraw/zinc/75/59/05/572755905.db2.gz SKPQLLPGMOEUFL-RWMBFGLXSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@@H](CC)C[C@H]1CC[C@@H]1C[NH3+] ZINC000087942458 572756527 /nfs/dbraw/zinc/75/65/27/572756527.db2.gz SKPQLLPGMOEUFL-JHJVBQTASA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@H](CC)C[C@H]1CC[C@@H]1C[NH3+] ZINC000087942460 572757876 /nfs/dbraw/zinc/75/78/76/572757876.db2.gz SKPQLLPGMOEUFL-YNEHKIRRSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)CC[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000087944007 572756230 /nfs/dbraw/zinc/75/62/30/572756230.db2.gz JRSRUOSVUMIMBA-QWHCGFSZSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)CC[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000087944010 572756494 /nfs/dbraw/zinc/75/64/94/572756494.db2.gz JRSRUOSVUMIMBA-CHWSQXEVSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)CC[C@@H]1CCCCC[C@H]1C[NH3+] ZINC000087944012 572757714 /nfs/dbraw/zinc/75/77/14/572757714.db2.gz JRSRUOSVUMIMBA-STQMWFEESA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)CC[C@H]1CCCCC[C@H]1C[NH3+] ZINC000087944013 572756720 /nfs/dbraw/zinc/75/67/20/572756720.db2.gz JRSRUOSVUMIMBA-OLZOCXBDSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCC[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000087944249 572757674 /nfs/dbraw/zinc/75/76/74/572757674.db2.gz ZRFOIIAGDHWJLF-CHWSQXEVSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCC[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000087944250 572755874 /nfs/dbraw/zinc/75/58/74/572755874.db2.gz ZRFOIIAGDHWJLF-QWHCGFSZSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCC[C@@H]1CCCCC[C@H]1C[NH3+] ZINC000087944252 572755292 /nfs/dbraw/zinc/75/52/92/572755292.db2.gz ZRFOIIAGDHWJLF-OLZOCXBDSA-N 1 0 197.366 3.722 10 0 AHAERO CCCCC[C@H]1CCCCC[C@H]1C[NH3+] ZINC000087944254 572757803 /nfs/dbraw/zinc/75/78/03/572757803.db2.gz ZRFOIIAGDHWJLF-STQMWFEESA-N 1 0 197.366 3.722 10 0 AHAERO CCC(CC)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000087944256 572757077 /nfs/dbraw/zinc/75/70/77/572757077.db2.gz IDFCBAGJVAOWTA-OLZOCXBDSA-N 1 0 197.366 3.578 10 0 AHAERO CCC(CC)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000087944259 572755195 /nfs/dbraw/zinc/75/51/95/572755195.db2.gz IDFCBAGJVAOWTA-CHWSQXEVSA-N 1 0 197.366 3.578 10 0 AHAERO CCC(CC)[C@@H]1CCCCC[C@H]1C[NH3+] ZINC000087944261 572755666 /nfs/dbraw/zinc/75/56/66/572755666.db2.gz IDFCBAGJVAOWTA-STQMWFEESA-N 1 0 197.366 3.578 10 0 AHAERO CCC(CC)[C@H]1CCCCC[C@H]1C[NH3+] ZINC000087944263 572757869 /nfs/dbraw/zinc/75/78/69/572757869.db2.gz IDFCBAGJVAOWTA-QWHCGFSZSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H](C)C[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000087944279 572757798 /nfs/dbraw/zinc/75/77/98/572757798.db2.gz LRJMPXDACLVLCG-FRRDWIJNSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H](C)C[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000087944282 572755173 /nfs/dbraw/zinc/75/51/73/572755173.db2.gz LRJMPXDACLVLCG-RWMBFGLXSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H](C)C[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000087944284 572757721 /nfs/dbraw/zinc/75/77/21/572757721.db2.gz LRJMPXDACLVLCG-JHJVBQTASA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H](C)C[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000087944286 572755139 /nfs/dbraw/zinc/75/51/39/572755139.db2.gz LRJMPXDACLVLCG-YNEHKIRRSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCC[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000087944958 572761310 /nfs/dbraw/zinc/76/13/10/572761310.db2.gz PIGJKSKCOHQUGC-JHJVBQTASA-N 1 0 197.366 3.578 10 0 AHAERO CCCCC[C@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000087944960 572759736 /nfs/dbraw/zinc/75/97/36/572759736.db2.gz PIGJKSKCOHQUGC-FRRDWIJNSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCC[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC000087944963 572758749 /nfs/dbraw/zinc/75/87/49/572758749.db2.gz PIGJKSKCOHQUGC-YNEHKIRRSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCC[C@H]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC000087944965 572758735 /nfs/dbraw/zinc/75/87/35/572758735.db2.gz PIGJKSKCOHQUGC-RWMBFGLXSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@@H]1C[C@H](CC)CC[C@@H]1C[NH3+] ZINC000087945318 572760960 /nfs/dbraw/zinc/76/09/60/572760960.db2.gz MEMPZRISZKTPFD-JHJVBQTASA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@H]1C[C@H](CC)CC[C@@H]1C[NH3+] ZINC000087945320 572760779 /nfs/dbraw/zinc/76/07/79/572760779.db2.gz MEMPZRISZKTPFD-FRRDWIJNSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000087945322 572760355 /nfs/dbraw/zinc/76/03/55/572760355.db2.gz MEMPZRISZKTPFD-YNEHKIRRSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000087945325 572758869 /nfs/dbraw/zinc/75/88/69/572758869.db2.gz MEMPZRISZKTPFD-RWMBFGLXSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](CCC)C1 ZINC000087945694 572761185 /nfs/dbraw/zinc/76/11/85/572761185.db2.gz ZQXUIVGDQLHOGW-JHJVBQTASA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](CCC)C1 ZINC000087945699 572760172 /nfs/dbraw/zinc/76/01/72/572760172.db2.gz ZQXUIVGDQLHOGW-UPJWGTAASA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@@H]1CC(C)(C)CC[C@@H]1C[NH3+] ZINC000087946517 572760425 /nfs/dbraw/zinc/76/04/25/572760425.db2.gz HZUNECDDPISXFH-VXGBXAGGSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@H]1CC(C)(C)CC[C@@H]1C[NH3+] ZINC000087946519 572760395 /nfs/dbraw/zinc/76/03/95/572760395.db2.gz HZUNECDDPISXFH-NWDGAFQWSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@@H]1CC(C)(C)CC[C@H]1C[NH3+] ZINC000087946522 572759530 /nfs/dbraw/zinc/75/95/30/572759530.db2.gz HZUNECDDPISXFH-NEPJUHHUSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@H]1CC(C)(C)CC[C@H]1C[NH3+] ZINC000087946524 572761269 /nfs/dbraw/zinc/76/12/69/572761269.db2.gz HZUNECDDPISXFH-RYUDHWBXSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@@H](CC)C[C@@H](C)CC[NH2+]C ZINC000087948268 572762897 /nfs/dbraw/zinc/76/28/97/572762897.db2.gz YWVILWOHPFEBOH-QWHCGFSZSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@H](CC)C[C@@H](C)CC[NH2+]C ZINC000087948269 572764475 /nfs/dbraw/zinc/76/44/75/572764475.db2.gz YWVILWOHPFEBOH-STQMWFEESA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@@H](CC)C[C@H](C)CC[NH2+]C ZINC000087948270 572763022 /nfs/dbraw/zinc/76/30/22/572763022.db2.gz YWVILWOHPFEBOH-CHWSQXEVSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@H](CC)C[C@H](C)CC[NH2+]C ZINC000087948271 572762917 /nfs/dbraw/zinc/76/29/17/572762917.db2.gz YWVILWOHPFEBOH-OLZOCXBDSA-N 1 0 199.382 3.839 10 0 AHAERO CC[NH2+]CC[C@@H](C)CC1CCCCC1 ZINC000087949069 573027606 /nfs/dbraw/zinc/02/76/06/573027606.db2.gz YKSKJGZGLGUGHC-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CC[C@H](C)CC1CCCCC1 ZINC000087949071 572763545 /nfs/dbraw/zinc/76/35/45/572763545.db2.gz YKSKJGZGLGUGHC-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCC[C@@H](C)CC[NH2+]CC ZINC000087949380 572762173 /nfs/dbraw/zinc/76/21/73/572762173.db2.gz ZJLROLPTQFWUGR-GFCCVEGCSA-N 1 0 185.355 3.593 10 0 AHAERO CCCCCC[C@H](C)CC[NH2+]CC ZINC000087949381 572762843 /nfs/dbraw/zinc/76/28/43/572762843.db2.gz ZJLROLPTQFWUGR-LBPRGKRZSA-N 1 0 185.355 3.593 10 0 AHAERO CCCCC[C@@H](C)CC[NH2+]CCC ZINC000087949758 572764243 /nfs/dbraw/zinc/76/42/43/572764243.db2.gz XKTQJGLPKLHIDQ-GFCCVEGCSA-N 1 0 185.355 3.593 10 0 AHAERO CCCCC[C@H](C)CC[NH2+]CCC ZINC000087949761 572762704 /nfs/dbraw/zinc/76/27/04/572762704.db2.gz XKTQJGLPKLHIDQ-LBPRGKRZSA-N 1 0 185.355 3.593 10 0 AHAERO CCC[NH2+]CC[C@@H](C)C1CCCCC1 ZINC000087949770 572762539 /nfs/dbraw/zinc/76/25/39/572762539.db2.gz YUUCFHDWJIFVDR-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC[C@H](C)C1CCCCC1 ZINC000087949771 572763421 /nfs/dbraw/zinc/76/34/21/572763421.db2.gz YUUCFHDWJIFVDR-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC[C@@H](C)CCC(C)(C)C ZINC000087949847 572763698 /nfs/dbraw/zinc/76/36/98/572763698.db2.gz CGLHSCBRLUAKBV-LBPRGKRZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]CC[C@H](C)CCC(C)(C)C ZINC000087949849 572763254 /nfs/dbraw/zinc/76/32/54/572763254.db2.gz CGLHSCBRLUAKBV-GFCCVEGCSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]CC[C@H](C)C[C@H](C)CCC ZINC000087949916 572764419 /nfs/dbraw/zinc/76/44/19/572764419.db2.gz DWYFGSTYSRMUBF-OLZOCXBDSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]CC[C@H](C)C[C@@H](C)CCC ZINC000087949917 572762098 /nfs/dbraw/zinc/76/20/98/572762098.db2.gz DWYFGSTYSRMUBF-STQMWFEESA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]CC[C@@H](C)C[C@H](C)CCC ZINC000087949918 572762789 /nfs/dbraw/zinc/76/27/89/572762789.db2.gz DWYFGSTYSRMUBF-CHWSQXEVSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]CC[C@@H](C)C[C@@H](C)CCC ZINC000087949919 572763148 /nfs/dbraw/zinc/76/31/48/572763148.db2.gz DWYFGSTYSRMUBF-QWHCGFSZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]CC[C@@H](C)CC1CCCC1 ZINC000087949934 572761773 /nfs/dbraw/zinc/76/17/73/572761773.db2.gz GWDRYWZBNXXYSG-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC[C@H](C)CC1CCCC1 ZINC000087949935 572762088 /nfs/dbraw/zinc/76/20/88/572762088.db2.gz GWDRYWZBNXXYSG-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCC[C@@H](C)CC[NH2+]CCC ZINC000087950048 572763385 /nfs/dbraw/zinc/76/33/85/572763385.db2.gz QSAKTIZICHIKNC-CYBMUJFWSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCCC[C@H](C)CC[NH2+]CCC ZINC000087950049 572763492 /nfs/dbraw/zinc/76/34/92/572763492.db2.gz QSAKTIZICHIKNC-ZDUSSCGKSA-N 1 0 199.382 3.983 10 0 AHAERO CCCCC[C@@H](C)CC[NH2+]C(C)C ZINC000087950132 572761830 /nfs/dbraw/zinc/76/18/30/572761830.db2.gz CCKWXSHVVBORKK-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@H](C)CC[NH2+]C(C)C ZINC000087950133 572764515 /nfs/dbraw/zinc/76/45/15/572764515.db2.gz CCKWXSHVVBORKK-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CC(C)[NH2+]CC[C@@H](C)C1CCCCC1 ZINC000087950138 572764543 /nfs/dbraw/zinc/76/45/43/572764543.db2.gz GZZSHGUDAAMAMF-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[NH2+]CC[C@H](C)C1CCCCC1 ZINC000087950139 572762078 /nfs/dbraw/zinc/76/20/78/572762078.db2.gz GZZSHGUDAAMAMF-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[NH2+]CC[C@@H](C)CCC(C)(C)C ZINC000087950180 572761799 /nfs/dbraw/zinc/76/17/99/572761799.db2.gz QIMTUUMRWNHFRA-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)[NH2+]CC[C@H](C)CCC(C)(C)C ZINC000087950181 572761717 /nfs/dbraw/zinc/76/17/17/572761717.db2.gz QIMTUUMRWNHFRA-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)C[C@@H](C)CC[NH2+]C(C)C ZINC000087950216 572761665 /nfs/dbraw/zinc/76/16/65/572761665.db2.gz NKCHGSQXSXRMCR-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@@H](C)CC[NH2+]C(C)C ZINC000087950217 572763339 /nfs/dbraw/zinc/76/33/39/572763339.db2.gz NKCHGSQXSXRMCR-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)C[C@H](C)CC[NH2+]C(C)C ZINC000087950218 572763003 /nfs/dbraw/zinc/76/30/03/572763003.db2.gz NKCHGSQXSXRMCR-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@H](C)CC[NH2+]C(C)C ZINC000087950219 572763106 /nfs/dbraw/zinc/76/31/06/572763106.db2.gz NKCHGSQXSXRMCR-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)[NH2+]CC[C@@H](C)CC1CCCC1 ZINC000087950234 572763773 /nfs/dbraw/zinc/76/37/73/572763773.db2.gz REFVWAKKOTXJAK-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[NH2+]CC[C@H](C)CC1CCCC1 ZINC000087950235 572762966 /nfs/dbraw/zinc/76/29/66/572762966.db2.gz REFVWAKKOTXJAK-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@@H](C)CC[NH2+]C(C)C ZINC000087950350 573026255 /nfs/dbraw/zinc/02/62/55/573026255.db2.gz OQCISBFZUHHXED-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCCC[C@H](C)CC[NH2+]C(C)C ZINC000087950351 572762970 /nfs/dbraw/zinc/76/29/70/572762970.db2.gz OQCISBFZUHHXED-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO C[C@H](CC[NH2+]C1CC1)CCC(C)(C)C ZINC000087950467 572762865 /nfs/dbraw/zinc/76/28/65/572762865.db2.gz ZDBRXYNYNUHNAH-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H](CC[NH2+]C1CC1)CCC(C)(C)C ZINC000087950468 572763982 /nfs/dbraw/zinc/76/39/82/572763982.db2.gz ZDBRXYNYNUHNAH-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@@H](C)CC[NH2+]C1CC1 ZINC000087950501 572763637 /nfs/dbraw/zinc/76/36/37/572763637.db2.gz AZLYRVLVWPHGMY-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@@H](C)CC[NH2+]C1CC1 ZINC000087950502 572761615 /nfs/dbraw/zinc/76/16/15/572761615.db2.gz AZLYRVLVWPHGMY-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@H](C)CC[NH2+]C1CC1 ZINC000087950503 572763046 /nfs/dbraw/zinc/76/30/46/572763046.db2.gz AZLYRVLVWPHGMY-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@H](C)CC[NH2+]C1CC1 ZINC000087950504 572764165 /nfs/dbraw/zinc/76/41/65/572764165.db2.gz AZLYRVLVWPHGMY-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@@H](C)CC[NH2+]C1CC1 ZINC000087950609 572763874 /nfs/dbraw/zinc/76/38/74/572763874.db2.gz LVRQENFFLZHHHN-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H](C)CC[NH2+]C1CC1 ZINC000087950610 572761990 /nfs/dbraw/zinc/76/19/90/572761990.db2.gz LVRQENFFLZHHHN-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)CC[C@@H](C)CC[NH2+]C(C)(C)C ZINC000087950678 572762655 /nfs/dbraw/zinc/76/26/55/572762655.db2.gz SFKRANFTTJQBGX-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)CC[C@H](C)CC[NH2+]C(C)(C)C ZINC000087950679 572762633 /nfs/dbraw/zinc/76/26/33/572762633.db2.gz SFKRANFTTJQBGX-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@@H](C)CC[NH2+]C(C)(C)C ZINC000087950682 572763482 /nfs/dbraw/zinc/76/34/82/572763482.db2.gz SOYWFIYFDZKAED-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](C)CC[NH2+]C(C)(C)C ZINC000087950683 572762200 /nfs/dbraw/zinc/76/22/00/572762200.db2.gz SOYWFIYFDZKAED-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CC[C@@H](C)C[C@@H](C)CC[NH2+]C(C)(C)C ZINC000087950716 572764248 /nfs/dbraw/zinc/76/42/48/572764248.db2.gz ULYAETWFMPXZIS-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)C[C@@H](C)CC[NH2+]C(C)(C)C ZINC000087950717 572764550 /nfs/dbraw/zinc/76/45/50/572764550.db2.gz ULYAETWFMPXZIS-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)C[C@H](C)CC[NH2+]C(C)(C)C ZINC000087950718 572762182 /nfs/dbraw/zinc/76/21/82/572762182.db2.gz ULYAETWFMPXZIS-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)C[C@H](C)CC[NH2+]C(C)(C)C ZINC000087950719 572761657 /nfs/dbraw/zinc/76/16/57/572761657.db2.gz ULYAETWFMPXZIS-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](C)CC[NH2+]C(C)(C)C ZINC000087950758 572762523 /nfs/dbraw/zinc/76/25/23/572762523.db2.gz UNQDCQDNUCLJKP-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](C)CC[NH2+]C(C)(C)C ZINC000087950759 572763039 /nfs/dbraw/zinc/76/30/39/572763039.db2.gz UNQDCQDNUCLJKP-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO C[C@@H](CC[NH2+]C(C)(C)C)C1CCCC1 ZINC000087950784 572763963 /nfs/dbraw/zinc/76/39/63/572763963.db2.gz GMMPSESBRPSGMD-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H](CC[NH2+]C(C)(C)C)C1CCCC1 ZINC000087950785 572763260 /nfs/dbraw/zinc/76/32/60/572763260.db2.gz GMMPSESBRPSGMD-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000087950814 572762518 /nfs/dbraw/zinc/76/25/18/572762518.db2.gz KSFDVPPRKMHSPB-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@H](C)CC[NH2+]C(C)(C)C ZINC000087950815 572763970 /nfs/dbraw/zinc/76/39/70/572763970.db2.gz KSFDVPPRKMHSPB-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)CC[C@@H](C)CC[NH2+]CC(C)C ZINC000087950854 572762951 /nfs/dbraw/zinc/76/29/51/572762951.db2.gz SXMDONNVESKEKZ-CYBMUJFWSA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)CC[C@H](C)CC[NH2+]CC(C)C ZINC000087950855 572761789 /nfs/dbraw/zinc/76/17/89/572761789.db2.gz SXMDONNVESKEKZ-ZDUSSCGKSA-N 1 0 199.382 3.694 10 0 AHAERO CCCCC[C@@H](C)CC[NH2+]CC(C)C ZINC000087950858 572763052 /nfs/dbraw/zinc/76/30/52/572763052.db2.gz IDDMPUOYOKTKQQ-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCC[C@H](C)CC[NH2+]CC(C)C ZINC000087950859 572763786 /nfs/dbraw/zinc/76/37/86/572763786.db2.gz IDDMPUOYOKTKQQ-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CC[C@@H](C)C[C@@H](C)CC[NH2+]CC(C)C ZINC000087950894 572764542 /nfs/dbraw/zinc/76/45/42/572764542.db2.gz YABAGPSAAWSILJ-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@H](C)C[C@@H](C)CC[NH2+]CC(C)C ZINC000087950895 572762594 /nfs/dbraw/zinc/76/25/94/572762594.db2.gz YABAGPSAAWSILJ-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@@H](C)C[C@H](C)CC[NH2+]CC(C)C ZINC000087950896 572766923 /nfs/dbraw/zinc/76/69/23/572766923.db2.gz YABAGPSAAWSILJ-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@H](C)C[C@H](C)CC[NH2+]CC(C)C ZINC000087950897 572765498 /nfs/dbraw/zinc/76/54/98/572765498.db2.gz YABAGPSAAWSILJ-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CCC(CC)[C@@H](C)CC[NH2+]CC(C)C ZINC000087950992 572765654 /nfs/dbraw/zinc/76/56/54/572765654.db2.gz GNPVFHIUWROONZ-LBPRGKRZSA-N 1 0 199.382 3.694 10 0 AHAERO CCC(CC)[C@H](C)CC[NH2+]CC(C)C ZINC000087950993 572766489 /nfs/dbraw/zinc/76/64/89/572766489.db2.gz GNPVFHIUWROONZ-GFCCVEGCSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@@H](C)[C@@H](C)CCC(C)(C)C ZINC000087951907 572765805 /nfs/dbraw/zinc/76/58/05/572765805.db2.gz MEOSUTSRXCUVML-NWDGAFQWSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@H](C)[C@@H](C)CCC(C)(C)C ZINC000087951908 572764987 /nfs/dbraw/zinc/76/49/87/572764987.db2.gz MEOSUTSRXCUVML-RYUDHWBXSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@@H](C)[C@H](C)CCC(C)(C)C ZINC000087951909 572766980 /nfs/dbraw/zinc/76/69/80/572766980.db2.gz MEOSUTSRXCUVML-VXGBXAGGSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@H](C)[C@H](C)CCC(C)(C)C ZINC000087951910 572765912 /nfs/dbraw/zinc/76/59/12/572765912.db2.gz MEOSUTSRXCUVML-NEPJUHHUSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@@H](C)C[C@@H](C)[C@@H](C)C[NH2+]CC ZINC000087951975 572765604 /nfs/dbraw/zinc/76/56/04/572765604.db2.gz KSGYIJOYMQYFLC-UPJWGTAASA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@H](C)C[C@@H](C)[C@@H](C)C[NH2+]CC ZINC000087951976 572766303 /nfs/dbraw/zinc/76/63/03/572766303.db2.gz KSGYIJOYMQYFLC-XQQFMLRXSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@@H](C)C[C@H](C)[C@@H](C)C[NH2+]CC ZINC000087951977 572765608 /nfs/dbraw/zinc/76/56/08/572765608.db2.gz KSGYIJOYMQYFLC-AGIUHOORSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@H](C)C[C@H](C)[C@@H](C)C[NH2+]CC ZINC000087951978 572765691 /nfs/dbraw/zinc/76/56/91/572765691.db2.gz KSGYIJOYMQYFLC-AVGNSLFASA-N 1 0 199.382 3.694 10 0 AHAERO CCCCCC[C@@H](C)[C@@H](C)C[NH2+]CC ZINC000087952239 572765029 /nfs/dbraw/zinc/76/50/29/572765029.db2.gz BBJHLEOCZFFCAM-OLZOCXBDSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCCC[C@H](C)[C@@H](C)C[NH2+]CC ZINC000087952240 572766664 /nfs/dbraw/zinc/76/66/64/572766664.db2.gz BBJHLEOCZFFCAM-STQMWFEESA-N 1 0 199.382 3.839 10 0 AHAERO CCCCCC[C@@H](C)[C@H](C)C[NH2+]CC ZINC000087952241 572765153 /nfs/dbraw/zinc/76/51/53/572765153.db2.gz BBJHLEOCZFFCAM-CHWSQXEVSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCCC[C@H](C)[C@H](C)C[NH2+]CC ZINC000087952242 572767261 /nfs/dbraw/zinc/76/72/61/572767261.db2.gz BBJHLEOCZFFCAM-QWHCGFSZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@@H](C)[C@@H](C)CCC(C)C ZINC000087952383 572765018 /nfs/dbraw/zinc/76/50/18/572765018.db2.gz DJDNLANBSLCSIF-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@H](C)[C@@H](C)CCC(C)C ZINC000087952384 572766865 /nfs/dbraw/zinc/76/68/65/572766865.db2.gz DJDNLANBSLCSIF-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@@H](C)[C@H](C)CCC(C)C ZINC000087952385 572766337 /nfs/dbraw/zinc/76/63/37/572766337.db2.gz DJDNLANBSLCSIF-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@H](C)[C@H](C)CCC(C)C ZINC000087952386 573027262 /nfs/dbraw/zinc/02/72/62/573027262.db2.gz DJDNLANBSLCSIF-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CCCCC[C@@H](C)[C@@H](C)C[NH2+]CCC ZINC000087952391 572766316 /nfs/dbraw/zinc/76/63/16/572766316.db2.gz QFAYPFDPUALAHE-OLZOCXBDSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCC[C@H](C)[C@@H](C)C[NH2+]CCC ZINC000087952392 572765373 /nfs/dbraw/zinc/76/53/73/572765373.db2.gz QFAYPFDPUALAHE-STQMWFEESA-N 1 0 199.382 3.839 10 0 AHAERO CCCCC[C@@H](C)[C@H](C)C[NH2+]CCC ZINC000087952393 572765175 /nfs/dbraw/zinc/76/51/75/572765175.db2.gz QFAYPFDPUALAHE-CHWSQXEVSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCC[C@H](C)[C@H](C)C[NH2+]CCC ZINC000087952394 572765211 /nfs/dbraw/zinc/76/52/11/572765211.db2.gz QFAYPFDPUALAHE-QWHCGFSZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@@H](C)[C@@H](C)C[C@@H](C)CC ZINC000087952463 572766818 /nfs/dbraw/zinc/76/68/18/572766818.db2.gz QLTYZOAFJDLSMZ-RWMBFGLXSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@H](C)[C@@H](C)C[C@@H](C)CC ZINC000087952464 572766020 /nfs/dbraw/zinc/76/60/20/572766020.db2.gz QLTYZOAFJDLSMZ-AVGNSLFASA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@@H](C)[C@H](C)C[C@@H](C)CC ZINC000087952465 572766909 /nfs/dbraw/zinc/76/69/09/572766909.db2.gz QLTYZOAFJDLSMZ-YNEHKIRRSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@H](C)[C@H](C)C[C@@H](C)CC ZINC000087952466 572766473 /nfs/dbraw/zinc/76/64/73/572766473.db2.gz QLTYZOAFJDLSMZ-XQQFMLRXSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@@H](C)[C@@H](C)C(CC)CC ZINC000087952663 572765457 /nfs/dbraw/zinc/76/54/57/572765457.db2.gz FLFZUUOJBDCAGX-VXGBXAGGSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@H](C)[C@@H](C)C(CC)CC ZINC000087952664 572765939 /nfs/dbraw/zinc/76/59/39/572765939.db2.gz FLFZUUOJBDCAGX-NWDGAFQWSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@@H](C)[C@H](C)C(CC)CC ZINC000087952665 572765262 /nfs/dbraw/zinc/76/52/62/572765262.db2.gz FLFZUUOJBDCAGX-NEPJUHHUSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@H](C)[C@H](C)C(CC)CC ZINC000087952666 572765282 /nfs/dbraw/zinc/76/52/82/572765282.db2.gz FLFZUUOJBDCAGX-RYUDHWBXSA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)CC[C@@H](C)[C@@H](C)C[NH2+]C(C)C ZINC000087952739 572766766 /nfs/dbraw/zinc/76/67/66/572766766.db2.gz VLPREZZOQKAXEA-OLZOCXBDSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)CC[C@H](C)[C@@H](C)C[NH2+]C(C)C ZINC000087952740 572766347 /nfs/dbraw/zinc/76/63/47/572766347.db2.gz VLPREZZOQKAXEA-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)CC[C@@H](C)[C@H](C)C[NH2+]C(C)C ZINC000087952741 572765385 /nfs/dbraw/zinc/76/53/85/572765385.db2.gz VLPREZZOQKAXEA-CHWSQXEVSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)CC[C@H](C)[C@H](C)C[NH2+]C(C)C ZINC000087952742 572766853 /nfs/dbraw/zinc/76/68/53/572766853.db2.gz VLPREZZOQKAXEA-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO CCCCC[C@@H](C)[C@@H](C)C[NH2+]C(C)C ZINC000087952747 572766583 /nfs/dbraw/zinc/76/65/83/572766583.db2.gz NCTADVPZRKZXDX-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@H](C)[C@@H](C)C[NH2+]C(C)C ZINC000087952748 572765789 /nfs/dbraw/zinc/76/57/89/572765789.db2.gz NCTADVPZRKZXDX-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@@H](C)[C@H](C)C[NH2+]C(C)C ZINC000087952749 572765914 /nfs/dbraw/zinc/76/59/14/572765914.db2.gz NCTADVPZRKZXDX-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@H](C)[C@H](C)C[NH2+]C(C)C ZINC000087952750 572766403 /nfs/dbraw/zinc/76/64/03/572766403.db2.gz NCTADVPZRKZXDX-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)C[C@@H](C)[C@@H](C)C[NH2+]C(C)C ZINC000087952819 572765647 /nfs/dbraw/zinc/76/56/47/572765647.db2.gz UCOBANRHTZIDQR-UPJWGTAASA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)C[C@@H](C)[C@@H](C)C[NH2+]C(C)C ZINC000087952820 572765582 /nfs/dbraw/zinc/76/55/82/572765582.db2.gz UCOBANRHTZIDQR-XQQFMLRXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](C)C[C@H](C)[C@@H](C)C[NH2+]C(C)C ZINC000087952821 572768755 /nfs/dbraw/zinc/76/87/55/572768755.db2.gz UCOBANRHTZIDQR-AGIUHOORSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)C[C@H](C)[C@@H](C)C[NH2+]C(C)C ZINC000087952822 572769466 /nfs/dbraw/zinc/76/94/66/572769466.db2.gz UCOBANRHTZIDQR-AVGNSLFASA-N 1 0 199.382 3.693 10 0 AHAERO CCC(CC)[C@@H](C)[C@@H](C)C[NH2+]C(C)C ZINC000087953019 572769508 /nfs/dbraw/zinc/76/95/08/572769508.db2.gz SAWNVKOWNOUOKT-RYUDHWBXSA-N 1 0 199.382 3.693 10 0 AHAERO CCC(CC)[C@H](C)[C@@H](C)C[NH2+]C(C)C ZINC000087953020 572769414 /nfs/dbraw/zinc/76/94/14/572769414.db2.gz SAWNVKOWNOUOKT-NWDGAFQWSA-N 1 0 199.382 3.693 10 0 AHAERO CCC(CC)[C@@H](C)[C@H](C)C[NH2+]C(C)C ZINC000087953021 572769544 /nfs/dbraw/zinc/76/95/44/572769544.db2.gz SAWNVKOWNOUOKT-NEPJUHHUSA-N 1 0 199.382 3.693 10 0 AHAERO CCC(CC)[C@H](C)[C@H](C)C[NH2+]C(C)C ZINC000087953022 572768477 /nfs/dbraw/zinc/76/84/77/572768477.db2.gz SAWNVKOWNOUOKT-VXGBXAGGSA-N 1 0 199.382 3.693 10 0 AHAERO CCCCC[C@@H](C)[C@@H](C)C[NH2+]C1CC1 ZINC000087953103 572769830 /nfs/dbraw/zinc/76/98/30/572769830.db2.gz QYBXSGYAKBCZRC-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H](C)[C@@H](C)C[NH2+]C1CC1 ZINC000087953104 572768299 /nfs/dbraw/zinc/76/82/99/572768299.db2.gz QYBXSGYAKBCZRC-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@H](C)[C@H](C)C[NH2+]C1CC1 ZINC000087953105 572768642 /nfs/dbraw/zinc/76/86/42/572768642.db2.gz QYBXSGYAKBCZRC-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H](C)[C@H](C)C[NH2+]C1CC1 ZINC000087953106 572768343 /nfs/dbraw/zinc/76/83/43/572768343.db2.gz QYBXSGYAKBCZRC-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[C@@H](C)[C@@H](C)C[NH2+]C(C)(C)C ZINC000087953463 572768588 /nfs/dbraw/zinc/76/85/88/572768588.db2.gz CWDVAIBUNZLHJF-NEPJUHHUSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[C@H](C)[C@@H](C)C[NH2+]C(C)(C)C ZINC000087953464 572768400 /nfs/dbraw/zinc/76/84/00/572768400.db2.gz CWDVAIBUNZLHJF-RYUDHWBXSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[C@@H](C)[C@H](C)C[NH2+]C(C)(C)C ZINC000087953465 572769636 /nfs/dbraw/zinc/76/96/36/572769636.db2.gz CWDVAIBUNZLHJF-VXGBXAGGSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[C@H](C)[C@H](C)C[NH2+]C(C)(C)C ZINC000087953466 572768890 /nfs/dbraw/zinc/76/88/90/572768890.db2.gz CWDVAIBUNZLHJF-NWDGAFQWSA-N 1 0 199.382 3.693 10 0 AHAERO CCCC[C@@H](C)[C@@H](C)C[NH2+]C(C)(C)C ZINC000087953555 572769618 /nfs/dbraw/zinc/76/96/18/572769618.db2.gz LBVAXXMKUCEGOI-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@@H](C)C[NH2+]C(C)(C)C ZINC000087953556 572768553 /nfs/dbraw/zinc/76/85/53/572768553.db2.gz LBVAXXMKUCEGOI-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](C)[C@H](C)C[NH2+]C(C)(C)C ZINC000087953557 572769681 /nfs/dbraw/zinc/76/96/81/572769681.db2.gz LBVAXXMKUCEGOI-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@H](C)C[NH2+]C(C)(C)C ZINC000087953558 572767874 /nfs/dbraw/zinc/76/78/74/572767874.db2.gz LBVAXXMKUCEGOI-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO C[C@@H](C[NH2+]C(C)(C)C)[C@@H](C)C(C)(C)C ZINC000087953607 572770060 /nfs/dbraw/zinc/77/00/60/572770060.db2.gz MVGSQLLDPQVAPX-WDEREUQCSA-N 1 0 199.382 3.693 10 0 AHAERO C[C@H]([C@H](C)C[NH2+]C(C)(C)C)C(C)(C)C ZINC000087953608 572769868 /nfs/dbraw/zinc/76/98/68/572769868.db2.gz MVGSQLLDPQVAPX-GHMZBOCLSA-N 1 0 199.382 3.693 10 0 AHAERO C[C@@H](C[NH2+]C(C)(C)C)[C@H](C)C(C)(C)C ZINC000087953609 572769758 /nfs/dbraw/zinc/76/97/58/572769758.db2.gz MVGSQLLDPQVAPX-QWRGUYRKSA-N 1 0 199.382 3.693 10 0 AHAERO C[C@H](C[NH2+]C(C)(C)C)[C@H](C)C(C)(C)C ZINC000087953610 572768054 /nfs/dbraw/zinc/76/80/54/572768054.db2.gz MVGSQLLDPQVAPX-MNOVXSKESA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](C)[C@@H](C)[C@@H](C)C[NH2+]C(C)(C)C ZINC000087953623 572767884 /nfs/dbraw/zinc/76/78/84/572767884.db2.gz MOQPBDJBEZONQZ-GRYCIOLGSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)[C@@H](C)[C@@H](C)C[NH2+]C(C)(C)C ZINC000087953624 572767763 /nfs/dbraw/zinc/76/77/63/572767763.db2.gz MOQPBDJBEZONQZ-SDDRHHMPSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](C)[C@H](C)[C@@H](C)C[NH2+]C(C)(C)C ZINC000087953625 572767681 /nfs/dbraw/zinc/76/76/81/572767681.db2.gz MOQPBDJBEZONQZ-WOPDTQHZSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)[C@H](C)[C@@H](C)C[NH2+]C(C)(C)C ZINC000087953626 572769091 /nfs/dbraw/zinc/76/90/91/572769091.db2.gz MOQPBDJBEZONQZ-SRVKXCTJSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[NH2+]C[C@H](C)[C@H](C)CC(C)C ZINC000087953683 572768566 /nfs/dbraw/zinc/76/85/66/572768566.db2.gz BKQPJZYYMQBOFI-OLZOCXBDSA-N 1 0 199.382 3.550 10 0 AHAERO CC(C)C[NH2+]C[C@H](C)[C@@H](C)CC(C)C ZINC000087953684 572768885 /nfs/dbraw/zinc/76/88/85/572768885.db2.gz BKQPJZYYMQBOFI-STQMWFEESA-N 1 0 199.382 3.550 10 0 AHAERO CC(C)C[NH2+]C[C@@H](C)[C@H](C)CC(C)C ZINC000087953685 572767964 /nfs/dbraw/zinc/76/79/64/572767964.db2.gz BKQPJZYYMQBOFI-CHWSQXEVSA-N 1 0 199.382 3.550 10 0 AHAERO CC(C)C[NH2+]C[C@@H](C)[C@@H](C)CC(C)C ZINC000087953686 572769958 /nfs/dbraw/zinc/76/99/58/572769958.db2.gz BKQPJZYYMQBOFI-QWHCGFSZSA-N 1 0 199.382 3.550 10 0 AHAERO CCCC[C@@H](C)[C@@H](C)C[NH2+]CC(C)C ZINC000087953775 572768988 /nfs/dbraw/zinc/76/89/88/572768988.db2.gz DAWQPOAYACKKNN-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CCCC[C@H](C)[C@@H](C)C[NH2+]CC(C)C ZINC000087953776 572768648 /nfs/dbraw/zinc/76/86/48/572768648.db2.gz DAWQPOAYACKKNN-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CCCC[C@@H](C)[C@H](C)C[NH2+]CC(C)C ZINC000087953777 572769653 /nfs/dbraw/zinc/76/96/53/572769653.db2.gz DAWQPOAYACKKNN-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CCCC[C@H](C)[C@H](C)C[NH2+]CC(C)C ZINC000087953778 572767848 /nfs/dbraw/zinc/76/78/48/572767848.db2.gz DAWQPOAYACKKNN-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)C[NH2+]C[C@@H](C)[C@@H](C)C(C)(C)C ZINC000087953827 573029043 /nfs/dbraw/zinc/02/90/43/573029043.db2.gz ZWMAEUXFPDHOAO-VXGBXAGGSA-N 1 0 199.382 3.550 10 0 AHAERO CC(C)C[NH2+]C[C@H](C)[C@@H](C)C(C)(C)C ZINC000087953828 572768701 /nfs/dbraw/zinc/76/87/01/572768701.db2.gz ZWMAEUXFPDHOAO-NWDGAFQWSA-N 1 0 199.382 3.550 10 0 AHAERO CC(C)C[NH2+]C[C@@H](C)[C@H](C)C(C)(C)C ZINC000087953829 572768508 /nfs/dbraw/zinc/76/85/08/572768508.db2.gz ZWMAEUXFPDHOAO-NEPJUHHUSA-N 1 0 199.382 3.550 10 0 AHAERO CC(C)C[NH2+]C[C@H](C)[C@H](C)C(C)(C)C ZINC000087953830 572767612 /nfs/dbraw/zinc/76/76/12/572767612.db2.gz ZWMAEUXFPDHOAO-RYUDHWBXSA-N 1 0 199.382 3.550 10 0 AHAERO CC[C@@H](C)[C@@H](C)[C@@H](C)C[NH2+]CC(C)C ZINC000087953843 572770119 /nfs/dbraw/zinc/77/01/19/572770119.db2.gz KAHJZFZQEJTFLY-FRRDWIJNSA-N 1 0 199.382 3.550 10 0 AHAERO CC[C@H](C)[C@@H](C)[C@@H](C)C[NH2+]CC(C)C ZINC000087953844 572768894 /nfs/dbraw/zinc/76/88/94/572768894.db2.gz KAHJZFZQEJTFLY-RWMBFGLXSA-N 1 0 199.382 3.550 10 0 AHAERO CC[C@@H](C)[C@H](C)[C@@H](C)C[NH2+]CC(C)C ZINC000087953845 572767686 /nfs/dbraw/zinc/76/76/86/572767686.db2.gz KAHJZFZQEJTFLY-AGIUHOORSA-N 1 0 199.382 3.550 10 0 AHAERO CC[C@H](C)[C@H](C)[C@@H](C)C[NH2+]CC(C)C ZINC000087953846 572770116 /nfs/dbraw/zinc/77/01/16/572770116.db2.gz KAHJZFZQEJTFLY-AVGNSLFASA-N 1 0 199.382 3.550 10 0 AHAERO CCCCCC[C@@H]1CC[C@@H]1C[NH2+]CC ZINC000087955250 572769875 /nfs/dbraw/zinc/76/98/75/572769875.db2.gz DTNYHDSICZFDAP-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCC[C@H]1CC[C@@H]1C[NH2+]CC ZINC000087955251 572768631 /nfs/dbraw/zinc/76/86/31/572768631.db2.gz DTNYHDSICZFDAP-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCC[C@@H]1CC[C@H]1C[NH2+]CC ZINC000087955252 572769872 /nfs/dbraw/zinc/76/98/72/572769872.db2.gz DTNYHDSICZFDAP-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCC[C@H]1CC[C@H]1C[NH2+]CC ZINC000087955253 572768951 /nfs/dbraw/zinc/76/89/51/572768951.db2.gz DTNYHDSICZFDAP-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@@H]1CC[C@@H]1C[NH2+]CCC ZINC000087955402 572772661 /nfs/dbraw/zinc/77/26/61/572772661.db2.gz ZLTBACVWRZNJKC-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@H]1CC[C@@H]1C[NH2+]CCC ZINC000087955403 572771031 /nfs/dbraw/zinc/77/10/31/572771031.db2.gz ZLTBACVWRZNJKC-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@@H]1CC[C@H]1C[NH2+]CCC ZINC000087955404 572770643 /nfs/dbraw/zinc/77/06/43/572770643.db2.gz ZLTBACVWRZNJKC-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@H]1CC[C@H]1C[NH2+]CCC ZINC000087955405 572773250 /nfs/dbraw/zinc/77/32/50/572773250.db2.gz ZLTBACVWRZNJKC-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@@H]1CC[C@@H]1C[NH2+]C(C)C ZINC000087955762 572771485 /nfs/dbraw/zinc/77/14/85/572771485.db2.gz AHLDGGYJIFFOHP-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H]1CC[C@@H]1C[NH2+]C(C)C ZINC000087955763 572771335 /nfs/dbraw/zinc/77/13/35/572771335.db2.gz AHLDGGYJIFFOHP-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@H]1CC[C@H]1C[NH2+]C(C)C ZINC000087955764 572772830 /nfs/dbraw/zinc/77/28/30/572772830.db2.gz AHLDGGYJIFFOHP-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H]1CC[C@H]1C[NH2+]C(C)C ZINC000087955765 572771229 /nfs/dbraw/zinc/77/12/29/572771229.db2.gz AHLDGGYJIFFOHP-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1CC[C@@H]1C[NH2+]C(C)(C)C ZINC000087956578 572772308 /nfs/dbraw/zinc/77/23/08/572772308.db2.gz FRHYCPLMQZYVSG-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]1CC[C@@H]1C[NH2+]C(C)(C)C ZINC000087956579 572771397 /nfs/dbraw/zinc/77/13/97/572771397.db2.gz FRHYCPLMQZYVSG-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1CC[C@H]1C[NH2+]C(C)(C)C ZINC000087956580 572770981 /nfs/dbraw/zinc/77/09/81/572770981.db2.gz FRHYCPLMQZYVSG-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]1CC[C@H]1C[NH2+]C(C)(C)C ZINC000087956581 572773057 /nfs/dbraw/zinc/77/30/57/572773057.db2.gz FRHYCPLMQZYVSG-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+]CCC(C)(C)CC1CCCCC1 ZINC000087957012 572773226 /nfs/dbraw/zinc/77/32/26/572773226.db2.gz ZIDYHKLNUXPTQZ-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCCC(C)(C)CC[NH2+]C ZINC000087957064 572772499 /nfs/dbraw/zinc/77/24/99/572772499.db2.gz NIYZFVKDWBIURT-UHFFFAOYSA-N 1 0 185.355 3.593 10 0 AHAERO CCCCCC(C)(C)CC[NH2+]CC ZINC000087957129 572776067 /nfs/dbraw/zinc/77/60/67/572776067.db2.gz ITZWKDWJRIENPK-UHFFFAOYSA-N 1 0 185.355 3.593 10 0 AHAERO CC[NH2+]CCC(C)(C)C1CCCCC1 ZINC000087957132 572774024 /nfs/dbraw/zinc/77/40/24/572774024.db2.gz PSGWVRQLWLEDLL-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CCC(C)(C)CCC(C)(C)C ZINC000087957149 572775878 /nfs/dbraw/zinc/77/58/78/572775878.db2.gz XWRUDWAHEFOBIH-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@@H](C)CC(C)(C)CC[NH2+]CC ZINC000087957168 572775700 /nfs/dbraw/zinc/77/57/00/572775700.db2.gz ANCGDQFQVZRIET-GFCCVEGCSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@H](C)CC(C)(C)CC[NH2+]CC ZINC000087957169 572775103 /nfs/dbraw/zinc/77/51/03/572775103.db2.gz ANCGDQFQVZRIET-LBPRGKRZSA-N 1 0 199.382 3.839 10 0 AHAERO CC[NH2+]CCC(C)(C)CC1CCCC1 ZINC000087957176 572773838 /nfs/dbraw/zinc/77/38/38/572773838.db2.gz DAGPXXCTEMPATN-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCCC(C)(C)CC[NH2+]CC ZINC000087957236 572773980 /nfs/dbraw/zinc/77/39/80/572773980.db2.gz QYYAKCBAXDIEHV-UHFFFAOYSA-N 1 0 199.382 3.983 10 0 AHAERO CCC[NH2+]CCC(C)(C)CCC(C)C ZINC000087957272 572774370 /nfs/dbraw/zinc/77/43/70/572774370.db2.gz PYFHLJXHRIMNOU-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCCC(C)(C)CC[NH2+]CCC ZINC000087957274 572775752 /nfs/dbraw/zinc/77/57/52/572775752.db2.gz AJDMCWPERAKWSI-UHFFFAOYSA-N 1 0 199.382 3.983 10 0 AHAERO CCC[NH2+]CCC(C)(C)C[C@@H](C)CC ZINC000087957290 572773801 /nfs/dbraw/zinc/77/38/01/572773801.db2.gz XMPQNPCTGSXVSW-LBPRGKRZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]CCC(C)(C)C[C@H](C)CC ZINC000087957291 572775527 /nfs/dbraw/zinc/77/55/27/572775527.db2.gz XMPQNPCTGSXVSW-GFCCVEGCSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCC(C)(C)CC[NH2+]CCC ZINC000087957313 572775326 /nfs/dbraw/zinc/77/53/26/572775326.db2.gz XNBUQEIPCHARME-UHFFFAOYSA-N 1 0 185.355 3.593 10 0 AHAERO CCC[NH2+]CCC(C)(C)C1CCCC1 ZINC000087957327 572773584 /nfs/dbraw/zinc/77/35/84/572773584.db2.gz BMURQHFXHHYKMI-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CCC(C)(C)C(CC)CC ZINC000087957340 572775198 /nfs/dbraw/zinc/77/51/98/572775198.db2.gz BXUHZQNSIUJCCX-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CC(C)CCC(C)(C)CC[NH2+]C(C)C ZINC000087957358 572774123 /nfs/dbraw/zinc/77/41/23/572774123.db2.gz ZGLJYUYMXLNDAQ-UHFFFAOYSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCCC(C)(C)CC[NH2+]C(C)C ZINC000087957360 572774111 /nfs/dbraw/zinc/77/41/11/572774111.db2.gz TTYOMOSCDHIKHG-UHFFFAOYSA-N 1 0 199.382 3.981 10 0 AHAERO CC[C@@H](C)CC(C)(C)CC[NH2+]C(C)C ZINC000087957376 572774035 /nfs/dbraw/zinc/77/40/35/572774035.db2.gz LZGUOQBWOVWCAG-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)CC(C)(C)CC[NH2+]C(C)C ZINC000087957377 572775970 /nfs/dbraw/zinc/77/59/70/572775970.db2.gz LZGUOQBWOVWCAG-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC(C)(C)CC[NH2+]C(C)C ZINC000087957399 572775622 /nfs/dbraw/zinc/77/56/22/572775622.db2.gz JKYDETXQNPROSE-UHFFFAOYSA-N 1 0 185.355 3.591 10 0 AHAERO CC(C)[NH2+]CCC(C)(C)C1CCCC1 ZINC000087957412 572775100 /nfs/dbraw/zinc/77/51/00/572775100.db2.gz LSRHKCBTTMNROP-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C(C)(C)CC[NH2+]C(C)C ZINC000087957425 572776058 /nfs/dbraw/zinc/77/60/58/572776058.db2.gz CJXVTMOGJUIKNP-UHFFFAOYSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)CCC(C)(C)CC[NH2+]C1CC1 ZINC000087957443 572774191 /nfs/dbraw/zinc/77/41/91/572774191.db2.gz YMRSNDRURQXWMP-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC(C)(C)CC[NH2+]C1CC1 ZINC000087957445 572775694 /nfs/dbraw/zinc/77/56/94/572775694.db2.gz WYBPHTDAMSTKPO-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@H](C)CC(C)(C)CC[NH2+]C1CC1 ZINC000087957461 572774011 /nfs/dbraw/zinc/77/40/11/572774011.db2.gz PBCLGKCBSVQTDA-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)CC(C)(C)CC[NH2+]C1CC1 ZINC000087957462 572775601 /nfs/dbraw/zinc/77/56/01/572775601.db2.gz PBCLGKCBSVQTDA-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C(C)(C)CC[NH2+]C1CC1 ZINC000087957511 572775917 /nfs/dbraw/zinc/77/59/17/572775917.db2.gz KPTNAFMANWDJRJ-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC(C)(C)CC[NH2+]C(C)(C)C ZINC000087957532 572773815 /nfs/dbraw/zinc/77/38/15/572773815.db2.gz UWRUIHJEBXUQOI-UHFFFAOYSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC(C)(C)CC[NH2+]C(C)(C)C ZINC000087957554 572775997 /nfs/dbraw/zinc/77/59/97/572775997.db2.gz MJGBCVFDJHTXLJ-UHFFFAOYSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC(C)(C)CC[NH2+]C(C)(C)C ZINC000087957557 572773559 /nfs/dbraw/zinc/77/35/59/572773559.db2.gz FMKYMEPKBVXOLQ-UHFFFAOYSA-N 1 0 185.355 3.591 10 0 AHAERO CC(C)(C)[NH2+]CCC(C)(C)C(C)(C)C ZINC000087957563 572775065 /nfs/dbraw/zinc/77/50/65/572775065.db2.gz NLAHIGGOVIDDBM-UHFFFAOYSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)C(C)(C)CC[NH2+]C(C)(C)C ZINC000087957567 572775329 /nfs/dbraw/zinc/77/53/29/572775329.db2.gz WZMVXNZWMPJONS-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)C(C)(C)CC[NH2+]C(C)(C)C ZINC000087957568 572775062 /nfs/dbraw/zinc/77/50/62/572775062.db2.gz WZMVXNZWMPJONS-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)C[NH2+]CCC(C)(C)CC(C)C ZINC000087957582 572775133 /nfs/dbraw/zinc/77/51/33/572775133.db2.gz MBNAZBOUYDVOQJ-UHFFFAOYSA-N 1 0 199.382 3.694 10 0 AHAERO CCCCC(C)(C)CC[NH2+]CC(C)C ZINC000087957605 572775944 /nfs/dbraw/zinc/77/59/44/572775944.db2.gz COSYAMYLOXNQKM-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CC(C)C[NH2+]CCC(C)(C)C(C)(C)C ZINC000087957615 572775241 /nfs/dbraw/zinc/77/52/41/572775241.db2.gz BRAXUFWBGDGKSG-UHFFFAOYSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@@H](C)C(C)(C)CC[NH2+]CC(C)C ZINC000087957619 572773709 /nfs/dbraw/zinc/77/37/09/572773709.db2.gz HMXYCTCJPYCXEX-GFCCVEGCSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@H](C)C(C)(C)CC[NH2+]CC(C)C ZINC000087957620 572774385 /nfs/dbraw/zinc/77/43/85/572774385.db2.gz HMXYCTCJPYCXEX-LBPRGKRZSA-N 1 0 199.382 3.694 10 0 AHAERO CCCCCC[C@@H]1CCC[C@@H]1C[NH2+]C ZINC000087958071 572774624 /nfs/dbraw/zinc/77/46/24/572774624.db2.gz XFDBQDMTHWWFTD-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCC[C@H]1CCC[C@@H]1C[NH2+]C ZINC000087958072 572775682 /nfs/dbraw/zinc/77/56/82/572775682.db2.gz XFDBQDMTHWWFTD-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCC[C@@H]1CCC[C@H]1C[NH2+]C ZINC000087958073 572774823 /nfs/dbraw/zinc/77/48/23/572774823.db2.gz XFDBQDMTHWWFTD-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCCC[C@H]1CCC[C@H]1C[NH2+]C ZINC000087958074 572775487 /nfs/dbraw/zinc/77/54/87/572775487.db2.gz XFDBQDMTHWWFTD-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@@H]1CCC[C@@H]1C[NH2+]CC ZINC000087958222 572775188 /nfs/dbraw/zinc/77/51/88/572775188.db2.gz WKTWMPFBXLIFLW-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@H]1CCC[C@@H]1C[NH2+]CC ZINC000087958223 572775434 /nfs/dbraw/zinc/77/54/34/572775434.db2.gz WKTWMPFBXLIFLW-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@@H]1CCC[C@H]1C[NH2+]CC ZINC000087958224 572775467 /nfs/dbraw/zinc/77/54/67/572775467.db2.gz WKTWMPFBXLIFLW-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@H]1CCC[C@H]1C[NH2+]CC ZINC000087958225 572775127 /nfs/dbraw/zinc/77/51/27/572775127.db2.gz WKTWMPFBXLIFLW-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@H]1CCC[C@@H]1C[NH2+]CCC ZINC000087958700 573034572 /nfs/dbraw/zinc/03/45/72/573034572.db2.gz WSWZLAGGGFRFSV-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H]1CCC[C@@H]1C[NH2+]CCC ZINC000087958701 572775164 /nfs/dbraw/zinc/77/51/64/572775164.db2.gz WSWZLAGGGFRFSV-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@H]1CCC[C@H]1C[NH2+]CCC ZINC000087958702 572775147 /nfs/dbraw/zinc/77/51/47/572775147.db2.gz WSWZLAGGGFRFSV-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H]1CCC[C@H]1C[NH2+]CCC ZINC000087958703 572775837 /nfs/dbraw/zinc/77/58/37/572775837.db2.gz WSWZLAGGGFRFSV-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@H]1CCC[C@@H]1C[NH2+]C(C)C ZINC000087959156 572774282 /nfs/dbraw/zinc/77/42/82/572774282.db2.gz XIYHLHGILGYTSP-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]1CCC[C@@H]1C[NH2+]C(C)C ZINC000087959158 572774869 /nfs/dbraw/zinc/77/48/69/572774869.db2.gz XIYHLHGILGYTSP-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1CCC[C@H]1C[NH2+]C(C)C ZINC000087959160 572775575 /nfs/dbraw/zinc/77/55/75/572775575.db2.gz XIYHLHGILGYTSP-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]1CCC[C@H]1C[NH2+]C(C)C ZINC000087959162 572774687 /nfs/dbraw/zinc/77/46/87/572774687.db2.gz XIYHLHGILGYTSP-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1CCC[C@@H]1C[NH2+]C(C)(C)C ZINC000087959916 572778426 /nfs/dbraw/zinc/77/84/26/572778426.db2.gz WZGOOEGZYKWPLC-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]1CCC[C@@H]1C[NH2+]C(C)(C)C ZINC000087959917 572777920 /nfs/dbraw/zinc/77/79/20/572777920.db2.gz WZGOOEGZYKWPLC-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1CCC[C@H]1C[NH2+]C(C)(C)C ZINC000087959919 572778433 /nfs/dbraw/zinc/77/84/33/572778433.db2.gz WZGOOEGZYKWPLC-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]1CCC[C@H]1C[NH2+]C(C)(C)C ZINC000087959920 572779349 /nfs/dbraw/zinc/77/93/49/572779349.db2.gz WZGOOEGZYKWPLC-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@H]1CCCC[C@@H]1C[NH2+]C ZINC000087960242 572776902 /nfs/dbraw/zinc/77/69/02/572776902.db2.gz TYBCPCNNUKAXSG-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@H]1CCCC[C@@H]1C[NH2+]C ZINC000087960244 572779274 /nfs/dbraw/zinc/77/92/74/572779274.db2.gz TYBCPCNNUKAXSG-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@@H]1CCCC[C@H]1C[NH2+]C ZINC000087960246 572777371 /nfs/dbraw/zinc/77/73/71/572777371.db2.gz TYBCPCNNUKAXSG-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@H]1CCCC[C@H]1C[NH2+]C ZINC000087960248 572779117 /nfs/dbraw/zinc/77/91/17/572779117.db2.gz TYBCPCNNUKAXSG-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@H]1CCCC[C@@H]1C[NH2+]CC ZINC000087961079 572779670 /nfs/dbraw/zinc/77/96/70/572779670.db2.gz OYSLUYPYRFKHAX-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H]1CCCC[C@@H]1C[NH2+]CC ZINC000087961081 572779269 /nfs/dbraw/zinc/77/92/69/572779269.db2.gz OYSLUYPYRFKHAX-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@H]1CCCC[C@H]1C[NH2+]CC ZINC000087961083 572779080 /nfs/dbraw/zinc/77/90/80/572779080.db2.gz OYSLUYPYRFKHAX-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H]1CCCC[C@H]1C[NH2+]CC ZINC000087961085 572779213 /nfs/dbraw/zinc/77/92/13/572779213.db2.gz OYSLUYPYRFKHAX-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@H]1CCCC[C@H]1CCC ZINC000087961438 572777176 /nfs/dbraw/zinc/77/71/76/572777176.db2.gz YJOKONDOWHRZRY-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@H]1CCCC[C@@H]1CCC ZINC000087961440 572777671 /nfs/dbraw/zinc/77/76/71/572777671.db2.gz YJOKONDOWHRZRY-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@@H]1CCCC[C@H]1CCC ZINC000087961443 572777073 /nfs/dbraw/zinc/77/70/73/572777073.db2.gz YJOKONDOWHRZRY-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@@H]1CCCC[C@@H]1CCC ZINC000087961445 572777111 /nfs/dbraw/zinc/77/71/11/572777111.db2.gz YJOKONDOWHRZRY-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@@H]1CCCC[C@@H]1C[NH2+]C(C)C ZINC000087961674 572779667 /nfs/dbraw/zinc/77/96/67/572779667.db2.gz JCKVRZHZTKIUNT-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]1CCCC[C@@H]1C[NH2+]C(C)C ZINC000087961675 572777747 /nfs/dbraw/zinc/77/77/47/572777747.db2.gz JCKVRZHZTKIUNT-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1CCCC[C@H]1C[NH2+]C(C)C ZINC000087961676 572777290 /nfs/dbraw/zinc/77/72/90/572777290.db2.gz JCKVRZHZTKIUNT-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]1CCCC[C@H]1C[NH2+]C(C)C ZINC000087961677 572778179 /nfs/dbraw/zinc/77/81/79/572778179.db2.gz JCKVRZHZTKIUNT-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1CCCCC[C@@H]1C[NH2+]C ZINC000087962632 572778730 /nfs/dbraw/zinc/77/87/30/572778730.db2.gz WBPGBYSNTPSUAP-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H]1CCCCC[C@@H]1C[NH2+]C ZINC000087962634 572779390 /nfs/dbraw/zinc/77/93/90/572779390.db2.gz WBPGBYSNTPSUAP-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@@H]1CCCCC[C@H]1C[NH2+]C ZINC000087962636 572776693 /nfs/dbraw/zinc/77/66/93/572776693.db2.gz WBPGBYSNTPSUAP-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H]1CCCCC[C@H]1C[NH2+]C ZINC000087962638 572778601 /nfs/dbraw/zinc/77/86/01/572778601.db2.gz WBPGBYSNTPSUAP-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@@H]1CCCCC[C@@H]1C[NH2+]CC ZINC000087963014 572779616 /nfs/dbraw/zinc/77/96/16/572779616.db2.gz PXJJAXDEFDYEHK-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@H]1CCCCC[C@@H]1C[NH2+]CC ZINC000087963016 572777084 /nfs/dbraw/zinc/77/70/84/572777084.db2.gz PXJJAXDEFDYEHK-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@@H]1CCCCC[C@H]1C[NH2+]CC ZINC000087963017 572778479 /nfs/dbraw/zinc/77/84/79/572778479.db2.gz PXJJAXDEFDYEHK-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@H]1CCCCC[C@H]1C[NH2+]CC ZINC000087963019 572778699 /nfs/dbraw/zinc/77/86/99/572778699.db2.gz PXJJAXDEFDYEHK-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@@H]1CCCCC[C@@H]1CC ZINC000087963219 573032490 /nfs/dbraw/zinc/03/24/90/573032490.db2.gz UGHPERYIVXPYBM-STQMWFEESA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@H]1CCCCC[C@@H]1CC ZINC000087963221 572777721 /nfs/dbraw/zinc/77/77/21/572777721.db2.gz UGHPERYIVXPYBM-QWHCGFSZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@@H]1CCCCC[C@H]1CC ZINC000087963223 572779405 /nfs/dbraw/zinc/77/94/05/572779405.db2.gz UGHPERYIVXPYBM-OLZOCXBDSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@H]1CCCCC[C@H]1CC ZINC000087963225 572779243 /nfs/dbraw/zinc/77/92/43/572779243.db2.gz UGHPERYIVXPYBM-CHWSQXEVSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@@H]1CCCCC[C@@H]1C[NH2+]C(C)C ZINC000087963363 572779122 /nfs/dbraw/zinc/77/91/22/572779122.db2.gz CWMBDRHHFIIHQZ-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCCCC[C@@H]1C[NH2+]C(C)C ZINC000087963364 572777943 /nfs/dbraw/zinc/77/79/43/572777943.db2.gz CWMBDRHHFIIHQZ-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CCCCC[C@H]1C[NH2+]C(C)C ZINC000087963366 572779446 /nfs/dbraw/zinc/77/94/46/572779446.db2.gz CWMBDRHHFIIHQZ-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CCCCC[C@H]1C[NH2+]C(C)C ZINC000087963368 572777786 /nfs/dbraw/zinc/77/77/86/572777786.db2.gz CWMBDRHHFIIHQZ-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CCCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000087963590 573031116 /nfs/dbraw/zinc/03/11/16/573031116.db2.gz ATGNZHICMUGVNM-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CCCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000087963595 573032225 /nfs/dbraw/zinc/03/22/25/573032225.db2.gz ATGNZHICMUGVNM-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CCCCC[C@H]1C[NH2+]C(C)(C)C ZINC000087963597 573034728 /nfs/dbraw/zinc/03/47/28/573034728.db2.gz ATGNZHICMUGVNM-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CCCCC[C@H]1C[NH2+]C(C)(C)C ZINC000087963599 573032907 /nfs/dbraw/zinc/03/29/07/573032907.db2.gz ATGNZHICMUGVNM-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]([NH3+])c1sc(C)cc1C ZINC000088047408 572941359 /nfs/dbraw/zinc/94/13/59/572941359.db2.gz SLAURCMHAGAKBA-JTQLQIEISA-N 1 0 197.347 3.555 10 0 AHAERO CCCC[C@@H]([NH3+])c1sc(C)cc1C ZINC000088047409 572940175 /nfs/dbraw/zinc/94/01/75/572940175.db2.gz SLAURCMHAGAKBA-SNVBAGLBSA-N 1 0 197.347 3.555 10 0 AHAERO CC[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000088126575 572968539 /nfs/dbraw/zinc/96/85/39/572968539.db2.gz UAZDMVQIGHXQNS-QJPTWQEYSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](C)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000088126580 572968553 /nfs/dbraw/zinc/96/85/53/572968553.db2.gz UAZDMVQIGHXQNS-TUAOUCFPSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000088131511 572970267 /nfs/dbraw/zinc/97/02/67/572970267.db2.gz IYLQDGHKIRXNKL-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000088131512 572969760 /nfs/dbraw/zinc/96/97/60/572969760.db2.gz IYLQDGHKIRXNKL-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000088131513 572969968 /nfs/dbraw/zinc/96/99/68/572969968.db2.gz IYLQDGHKIRXNKL-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000088131514 572970440 /nfs/dbraw/zinc/97/04/40/572970440.db2.gz IYLQDGHKIRXNKL-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000088162929 572971219 /nfs/dbraw/zinc/97/12/19/572971219.db2.gz DBLFNOOMTFTRHO-IJLUTSLNSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](C)[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000088162931 572971612 /nfs/dbraw/zinc/97/16/12/572971612.db2.gz DBLFNOOMTFTRHO-GRYCIOLGSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)C[NH2+]CC1CCCCCCC1 ZINC000088294341 572380199 /nfs/dbraw/zinc/38/01/99/572380199.db2.gz FYMDMEPXAOMBSW-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)(C)CC(C)(C)/C=C\C(C)(C)[NH3+] ZINC000090764456 166398706 /nfs/dbraw/zinc/39/87/06/166398706.db2.gz XUFPIJZGGPXYIM-HJWRWDBZSA-N 1 0 197.366 3.742 10 0 AHAERO CC(C)(C)CC(C)(C)/C=C/C(C)(C)[NH3+] ZINC000090764457 572134909 /nfs/dbraw/zinc/13/49/09/572134909.db2.gz XUFPIJZGGPXYIM-CMDGGOBGSA-N 1 0 197.366 3.742 10 0 AHAERO C#[N+]c1ccc(CCCC)cc1 ZINC000100102378 573772537 /nfs/dbraw/zinc/77/25/37/573772537.db2.gz JAWVCUNWTMNOOS-UHFFFAOYSA-N 1 0 159.232 3.580 10 0 AHAERO CCC/C=C/[NH+](CC(C)C)CC(C)C ZINC000100163652 171144112 /nfs/dbraw/zinc/14/41/12/171144112.db2.gz IQQMZRVXHDWDGE-CMDGGOBGSA-N 1 0 197.366 3.914 10 0 in-vitro AHAERO C#[N+]c1ccc([C@H](C)CC)cc1 ZINC000100224235 573781299 /nfs/dbraw/zinc/78/12/99/573781299.db2.gz MDTUGHYKTUOJLR-SECBINFHSA-N 1 0 159.232 3.751 10 0 AHAERO C#[N+]c1ccc([C@@H](C)CC)cc1 ZINC000100224236 573780873 /nfs/dbraw/zinc/78/08/73/573780873.db2.gz MDTUGHYKTUOJLR-VIFPVBQESA-N 1 0 159.232 3.751 10 0 AHAERO CC[C@@H]1CCCC[N@@H+]1C1=CCCCC1 ZINC000103541470 571705600 /nfs/dbraw/zinc/70/56/00/571705600.db2.gz WUORAFNQRDKZPW-GFCCVEGCSA-N 1 0 193.334 3.709 10 0 AHAERO CCCC/C=C/[NH2+]/C=C/CCCC ZINC000103544600 166837983 /nfs/dbraw/zinc/83/79/83/166837983.db2.gz XZLKDYHDIFFGFT-WGDLNXRISA-N 1 0 181.323 3.984 10 0 AHAERO [NH3+]C1(C2CCCC2)CCCCCCC1 ZINC000104483067 574000373 /nfs/dbraw/zinc/00/03/73/574000373.db2.gz QIAKPWCLUFJVMT-UHFFFAOYSA-N 1 0 195.350 3.618 10 0 AHAERO C#[N+]c1ccc(C2CCCC2)cc1 ZINC000107094280 573348271 /nfs/dbraw/zinc/34/82/71/573348271.db2.gz NYDXTEWPRUKBAE-UHFFFAOYSA-N 1 0 171.243 3.895 10 0 AHAERO C[C@H]([NH3+])CC1CCC(C(C)(C)C)CC1 ZINC000107433940 573606280 /nfs/dbraw/zinc/60/62/80/573606280.db2.gz QFOGIVQNIQERNY-UNXYVOJBSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]([NH3+])CC1CCC(C(C)(C)C)CC1 ZINC000107433942 573602133 /nfs/dbraw/zinc/60/21/33/573602133.db2.gz QFOGIVQNIQERNY-VOMCLLRMSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](C[C@H]1CCC[NH2+]1)CC(C)(C)C ZINC000107433952 573704400 /nfs/dbraw/zinc/70/44/00/573704400.db2.gz XMHBDDWXZKCAQP-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC1([NH2+]C2CCCCCC2)CCCC1 ZINC000108896681 573816336 /nfs/dbraw/zinc/81/63/36/573816336.db2.gz DOBSYGHMYHZYIV-UHFFFAOYSA-N 1 0 195.350 3.632 10 0 AHAERO CCCC[PH+](C)CCCC ZINC000111339535 343754218 /nfs/dbraw/zinc/75/42/18/343754218.db2.gz LOEIOOSCALHKOG-UHFFFAOYSA-N 1 0 160.241 3.698 10 0 AHAERO C1CCCC([NH+]2CCCCCC2)CC1 ZINC000113203065 574047303 /nfs/dbraw/zinc/04/73/03/574047303.db2.gz UUAVYXKRUSVCDJ-UHFFFAOYSA-N 1 0 195.350 3.585 10 0 AHAERO [NH3+][C@@H]1CCCC2(CCCCCC2)CC1 ZINC000113999876 573055575 /nfs/dbraw/zinc/05/55/75/573055575.db2.gz YNPSCZXXCMGPBB-GFCCVEGCSA-N 1 0 195.350 3.618 10 0 AHAERO CC[NH+](CC)CCCCCC(C)C ZINC000114217378 572011674 /nfs/dbraw/zinc/01/16/74/572011674.db2.gz YNXNMMGZJFJYHB-UHFFFAOYSA-N 1 0 185.355 3.545 10 0 AHAERO CCCCCC([NH3+])(C(C)C)C(C)C ZINC000114297105 573071268 /nfs/dbraw/zinc/07/12/68/573071268.db2.gz JBGCMAREFVRKDY-UHFFFAOYSA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)C1([NH3+])CC(C)(C)CC(C)(C)C1 ZINC000116062190 573247545 /nfs/dbraw/zinc/24/75/45/573247545.db2.gz OYOAKHXRMXTMDK-UHFFFAOYSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CCCCCCCCC[NH3+] ZINC000116386266 572685870 /nfs/dbraw/zinc/68/58/70/572685870.db2.gz PWBYEVGYPCMAKF-UHFFFAOYSA-N 1 0 185.355 3.722 10 0 AHAERO CCCC[C@H]([NH2+]CC)[C@H](C)CCC ZINC000124717267 573600042 /nfs/dbraw/zinc/60/00/42/573600042.db2.gz VGMKKBAJKZUMKY-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@H]([NH3+])[C@H](C)C(C)C ZINC000124882342 573687085 /nfs/dbraw/zinc/68/70/85/573687085.db2.gz ZFGJAYOQGULFJW-NEPJUHHUSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@@H](CC)[C@@H]([NH3+])CCC(C)C ZINC000124947801 573713432 /nfs/dbraw/zinc/71/34/32/573713432.db2.gz OBHHGDIQDOCDQH-OLZOCXBDSA-N 1 0 199.382 3.966 10 0 AHAERO CCCCC[C@H]([NH3+])CC1CCCCC1 ZINC000125346848 573874771 /nfs/dbraw/zinc/87/47/71/573874771.db2.gz NZQMWDVPAJVBJW-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO CCC[C@@H](C)[C@H]([NH3+])CC1CCCCC1 ZINC000125908258 573215804 /nfs/dbraw/zinc/21/58/04/573215804.db2.gz NDNOXHDYZIFSQF-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])CC1CCCCC1 ZINC000125908457 573213782 /nfs/dbraw/zinc/21/37/82/573213782.db2.gz NDNOXHDYZIFSQF-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)[C@@H]([NH3+])CC1CCCCC1 ZINC000125908663 573213325 /nfs/dbraw/zinc/21/33/25/573213325.db2.gz NDNOXHDYZIFSQF-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)C[C@H]([NH3+])CC1CCCCC1 ZINC000125913522 573212963 /nfs/dbraw/zinc/21/29/63/573212963.db2.gz KVUYLGOLCHQYEH-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])CC1CCCCC1 ZINC000125913810 573213301 /nfs/dbraw/zinc/21/33/01/573213301.db2.gz KVUYLGOLCHQYEH-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)C[C@@H]([NH3+])CC1CCCCC1 ZINC000125913992 573216043 /nfs/dbraw/zinc/21/60/43/573216043.db2.gz KVUYLGOLCHQYEH-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@@H]([NH3+])CC1CCCCC1 ZINC000125914212 573216112 /nfs/dbraw/zinc/21/61/12/573216112.db2.gz KVUYLGOLCHQYEH-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)[C@H]([NH3+])CC1CCCCC1 ZINC000125916994 573217364 /nfs/dbraw/zinc/21/73/64/573217364.db2.gz FWQXQNJTWFJGOR-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)[C@@H]([NH3+])CC1CCCCC1 ZINC000125917220 573219198 /nfs/dbraw/zinc/21/91/98/573219198.db2.gz FWQXQNJTWFJGOR-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@H]([NH3+])CC1CCCCC1 ZINC000125923079 573222127 /nfs/dbraw/zinc/22/21/27/573222127.db2.gz YBIVAIDIFKRZJY-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@@H]([NH3+])CC1CCCCC1 ZINC000125923320 573218524 /nfs/dbraw/zinc/21/85/24/573218524.db2.gz YBIVAIDIFKRZJY-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)[C@@H](C)[C@H]([NH3+])CC1CCCCC1 ZINC000125925510 573218302 /nfs/dbraw/zinc/21/83/02/573218302.db2.gz RLYPKUILQBHRQR-DGCLKSJQSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@@H](C)[C@@H]([NH3+])CC1CCCCC1 ZINC000125925950 573220064 /nfs/dbraw/zinc/22/00/64/573220064.db2.gz RLYPKUILQBHRQR-YPMHNXCESA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@H](C)[C@@H]([NH3+])CC1CCCCC1 ZINC000125926154 573221982 /nfs/dbraw/zinc/22/19/82/573221982.db2.gz RLYPKUILQBHRQR-AAEUAGOBSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](C)C[C@H]([NH2+]C)[C@@H](C)CCC ZINC000125992179 573259134 /nfs/dbraw/zinc/25/91/34/573259134.db2.gz KOYITWCTMIRCJY-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH2+]C)[C@@H](C)CCC ZINC000125992520 573259448 /nfs/dbraw/zinc/25/94/48/573259448.db2.gz KOYITWCTMIRCJY-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)C[C@H]([NH3+])C1(C)CCCC1 ZINC000125996588 573262150 /nfs/dbraw/zinc/26/21/50/573262150.db2.gz IWCYHBJMTSMSIG-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@H]([NH3+])C1(C)CCCC1 ZINC000125996826 573259090 /nfs/dbraw/zinc/25/90/90/573259090.db2.gz IWCYHBJMTSMSIG-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)C[C@@H]([NH3+])C1(C)CCCC1 ZINC000125997089 573257710 /nfs/dbraw/zinc/25/77/10/573257710.db2.gz IWCYHBJMTSMSIG-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH3+])C1(C)CCCC1 ZINC000125997295 573259262 /nfs/dbraw/zinc/25/92/62/573259262.db2.gz IWCYHBJMTSMSIG-NWDGAFQWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)C[C@H]([NH2+]C)C(C)(C)CC ZINC000126021539 573267844 /nfs/dbraw/zinc/26/78/44/573267844.db2.gz XZLSKGLQWLZIID-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@H]([NH2+]C)C(C)(C)CC ZINC000126021742 573264096 /nfs/dbraw/zinc/26/40/96/573264096.db2.gz XZLSKGLQWLZIID-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)C[C@@H]([NH2+]C)C(C)(C)CC ZINC000126021960 573266081 /nfs/dbraw/zinc/26/60/81/573266081.db2.gz XZLSKGLQWLZIID-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH2+]C)C(C)(C)CC ZINC000126022217 573268257 /nfs/dbraw/zinc/26/82/57/573268257.db2.gz XZLSKGLQWLZIID-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@H]([NH2+]C)[C@@H](C)C(C)C ZINC000126048081 573283675 /nfs/dbraw/zinc/28/36/75/573283675.db2.gz YCOSVAOQXHFHAF-AVGNSLFASA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH2+]C)[C@@H](C)C(C)C ZINC000126048544 573281992 /nfs/dbraw/zinc/28/19/92/573281992.db2.gz YCOSVAOQXHFHAF-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@H](C)C[C@@H](C[C@@H](C)CC)[NH2+]C ZINC000126053533 573281729 /nfs/dbraw/zinc/28/17/29/573281729.db2.gz GFMCJUBNLDFNCI-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@H](C[C@@H](C)CC)[NH2+]C ZINC000126053972 573286795 /nfs/dbraw/zinc/28/67/95/573286795.db2.gz GFMCJUBNLDFNCI-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@H]([NH3+])[C@@H](C)CCC ZINC000126057907 573296328 /nfs/dbraw/zinc/29/63/28/573296328.db2.gz MTSSORZXAWXPIG-SRVKXCTJSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH3+])[C@@H](C)CCC ZINC000126058300 573293891 /nfs/dbraw/zinc/29/38/91/573293891.db2.gz MTSSORZXAWXPIG-SDDRHHMPSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)C[C@H]([NH3+])C[C@@H](C)CC ZINC000126088737 573340179 /nfs/dbraw/zinc/34/01/79/573340179.db2.gz IVRWAWAVQYVKCR-SDDRHHMPSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH3+])C[C@@H](C)CC ZINC000126089207 573339431 /nfs/dbraw/zinc/33/94/31/573339431.db2.gz IVRWAWAVQYVKCR-SRVKXCTJSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H](C)C[C@H]([NH2+]C)C(CC)CC ZINC000126091343 573337395 /nfs/dbraw/zinc/33/73/95/573337395.db2.gz FNDSIFCBFCGAHX-YPMHNXCESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@H]([NH2+]C)C(CC)CC ZINC000126091528 573340692 /nfs/dbraw/zinc/34/06/92/573340692.db2.gz FNDSIFCBFCGAHX-AAEUAGOBSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)C[C@@H]([NH2+]C)C(CC)CC ZINC000126091767 573337732 /nfs/dbraw/zinc/33/77/32/573337732.db2.gz FNDSIFCBFCGAHX-DGCLKSJQSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH2+]C)C(CC)CC ZINC000126091934 573337308 /nfs/dbraw/zinc/33/73/08/573337308.db2.gz FNDSIFCBFCGAHX-WCQYABFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)C[C@H]([NH3+])CC1CCCC1 ZINC000126092180 573338098 /nfs/dbraw/zinc/33/80/98/573338098.db2.gz XXHDEWFMAIKZCC-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@H]([NH3+])CC1CCCC1 ZINC000126092419 573340463 /nfs/dbraw/zinc/34/04/63/573340463.db2.gz XXHDEWFMAIKZCC-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)C[C@@H]([NH3+])CC1CCCC1 ZINC000126092640 573339312 /nfs/dbraw/zinc/33/93/12/573339312.db2.gz XXHDEWFMAIKZCC-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH3+])CC1CCCC1 ZINC000126092834 573340444 /nfs/dbraw/zinc/34/04/44/573340444.db2.gz XXHDEWFMAIKZCC-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)C[C@H]([NH3+])C(C)(C)CC ZINC000126098274 573351063 /nfs/dbraw/zinc/35/10/63/573351063.db2.gz XALRADCDXMDVKO-MNOVXSKESA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)C[C@H]([NH3+])C(C)(C)CC ZINC000126098520 573352431 /nfs/dbraw/zinc/35/24/31/573352431.db2.gz XALRADCDXMDVKO-QWRGUYRKSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H](C)C[C@@H]([NH3+])C(C)(C)CC ZINC000126098740 573350475 /nfs/dbraw/zinc/35/04/75/573350475.db2.gz XALRADCDXMDVKO-GHMZBOCLSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH3+])C(C)(C)CC ZINC000126098987 573352207 /nfs/dbraw/zinc/35/22/07/573352207.db2.gz XALRADCDXMDVKO-WDEREUQCSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H](C)C[C@H]([NH3+])C(CC)CC ZINC000126111883 573349387 /nfs/dbraw/zinc/34/93/87/573349387.db2.gz BVQXYXKLBRCMIF-PWSUYJOCSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)C[C@H]([NH3+])C(CC)CC ZINC000126112101 573348100 /nfs/dbraw/zinc/34/81/00/573348100.db2.gz BVQXYXKLBRCMIF-JQWIXIFHSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H](C)C[C@@H]([NH3+])C(CC)CC ZINC000126112314 573350955 /nfs/dbraw/zinc/35/09/55/573350955.db2.gz BVQXYXKLBRCMIF-ZYHUDNBSSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH3+])C(CC)CC ZINC000126112558 573349214 /nfs/dbraw/zinc/34/92/14/573349214.db2.gz BVQXYXKLBRCMIF-CMPLNLGQSA-N 1 0 185.355 3.576 10 0 AHAERO CCCCC[C@@H](C[C@@H](C)CCC)[NH2+]C ZINC000126114754 573351472 /nfs/dbraw/zinc/35/14/72/573351472.db2.gz VLBMPAHMBVVRDJ-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@@H](C[C@H](C)CCC)[NH2+]C ZINC000126115208 573349009 /nfs/dbraw/zinc/34/90/09/573349009.db2.gz VLBMPAHMBVVRDJ-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](C[C@H](C)CCC)[NH2+]C ZINC000126115396 573351961 /nfs/dbraw/zinc/35/19/61/573351961.db2.gz VLBMPAHMBVVRDJ-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H]([NH3+])C[C@@H](C)CCC ZINC000126115612 573347620 /nfs/dbraw/zinc/34/76/20/573347620.db2.gz QMROTKOVQALGMJ-RYUDHWBXSA-N 1 0 185.355 3.720 10 0 AHAERO CCCCC[C@@H]([NH3+])C[C@@H](C)CCC ZINC000126115792 573352060 /nfs/dbraw/zinc/35/20/60/573352060.db2.gz QMROTKOVQALGMJ-NWDGAFQWSA-N 1 0 185.355 3.720 10 0 AHAERO CCCCC[C@H]([NH3+])C[C@H](C)CCC ZINC000126116001 573354381 /nfs/dbraw/zinc/35/43/81/573354381.db2.gz QMROTKOVQALGMJ-NEPJUHHUSA-N 1 0 185.355 3.720 10 0 AHAERO CCCCC[C@@H]([NH3+])C[C@H](C)CCC ZINC000126116213 573355927 /nfs/dbraw/zinc/35/59/27/573355927.db2.gz QMROTKOVQALGMJ-VXGBXAGGSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@H](CC)[C@H]([NH3+])C[C@@H](C)CC ZINC000126166552 573391288 /nfs/dbraw/zinc/39/12/88/573391288.db2.gz LEIFEDYDBPEGJI-RWMBFGLXSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)[C@@H]([NH3+])C[C@@H](C)CC ZINC000126166906 573389108 /nfs/dbraw/zinc/38/91/08/573389108.db2.gz LEIFEDYDBPEGJI-AVGNSLFASA-N 1 0 199.382 3.966 10 0 AHAERO CC[NH2+][C@@H](C[C@H](C)CC)C(CC)CC ZINC000126213042 573438404 /nfs/dbraw/zinc/43/84/04/573438404.db2.gz UTGUKRDMBFMLAV-YPMHNXCESA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C[C@H](C)CC)C(CC)CC ZINC000126213466 573440912 /nfs/dbraw/zinc/44/09/12/573440912.db2.gz UTGUKRDMBFMLAV-DGCLKSJQSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+]C(C[C@@H](C)CC)C[C@@H](C)CC ZINC000126231024 573437206 /nfs/dbraw/zinc/43/72/06/573437206.db2.gz WJJSNKZDVIZYBA-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+]C(C[C@H](C)CC)C[C@H](C)CC ZINC000126231236 573440932 /nfs/dbraw/zinc/44/09/32/573440932.db2.gz WJJSNKZDVIZYBA-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C[C@H](C)CC)C(C)(C)CC ZINC000126240433 573441735 /nfs/dbraw/zinc/44/17/35/573441735.db2.gz CGWYWUAHWAQELK-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C[C@@H](C)CC)C(C)(C)CC ZINC000126240654 573445607 /nfs/dbraw/zinc/44/56/07/573445607.db2.gz CGWYWUAHWAQELK-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C[C@H](C)CC)C(C)(C)CC ZINC000126240897 573444477 /nfs/dbraw/zinc/44/44/77/573444477.db2.gz CGWYWUAHWAQELK-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C[C@@H](C)CC)C(C)(C)CC ZINC000126241128 573446204 /nfs/dbraw/zinc/44/62/04/573446204.db2.gz CGWYWUAHWAQELK-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])C[C@@H](C)C(C)(C)C ZINC000126243385 573441693 /nfs/dbraw/zinc/44/16/93/573441693.db2.gz BMVNCTLEICDZOO-TUAOUCFPSA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@H](C)C[C@@H]([NH3+])C[C@@H](C)C(C)(C)C ZINC000126243832 573445559 /nfs/dbraw/zinc/44/55/59/573445559.db2.gz BMVNCTLEICDZOO-QJPTWQEYSA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@@H](C)C[C@H]([NH3+])C1(CC)CCCC1 ZINC000126270951 573464004 /nfs/dbraw/zinc/46/40/04/573464004.db2.gz ILLBYEMTANYMAF-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])C1(CC)CCCC1 ZINC000126271122 573461807 /nfs/dbraw/zinc/46/18/07/573461807.db2.gz ILLBYEMTANYMAF-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)C[C@@H]([NH3+])C1(CC)CCCC1 ZINC000126271306 573460729 /nfs/dbraw/zinc/46/07/29/573460729.db2.gz ILLBYEMTANYMAF-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@@H]([NH3+])C1(CC)CCCC1 ZINC000126271511 573462252 /nfs/dbraw/zinc/46/22/52/573462252.db2.gz ILLBYEMTANYMAF-NWDGAFQWSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)C[C@H]([NH3+])CCC1CCCC1 ZINC000126290393 573470889 /nfs/dbraw/zinc/47/08/89/573470889.db2.gz KRIKKMVFEWAVQC-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])CCC1CCCC1 ZINC000126290568 573473465 /nfs/dbraw/zinc/47/34/65/573473465.db2.gz KRIKKMVFEWAVQC-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)C[C@@H]([NH3+])CCC1CCCC1 ZINC000126290744 573474143 /nfs/dbraw/zinc/47/41/43/573474143.db2.gz KRIKKMVFEWAVQC-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@@H]([NH3+])CCC1CCCC1 ZINC000126290896 573470939 /nfs/dbraw/zinc/47/09/39/573470939.db2.gz KRIKKMVFEWAVQC-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC(CCC)[C@H]([NH3+])C[C@@H](C)CC ZINC000126298522 573477349 /nfs/dbraw/zinc/47/73/49/573477349.db2.gz RBFHVZYBZMFQOB-WCQYABFASA-N 1 0 199.382 3.966 10 0 AHAERO CCCC(CCC)[C@@H]([NH3+])C[C@@H](C)CC ZINC000126298772 573479522 /nfs/dbraw/zinc/47/95/22/573479522.db2.gz RBFHVZYBZMFQOB-AAEUAGOBSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC(CCC)[C@H]([NH3+])C[C@H](C)CC ZINC000126298974 573478904 /nfs/dbraw/zinc/47/89/04/573478904.db2.gz RBFHVZYBZMFQOB-DGCLKSJQSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC(CCC)[C@@H]([NH3+])C[C@H](C)CC ZINC000126299200 573476249 /nfs/dbraw/zinc/47/62/49/573476249.db2.gz RBFHVZYBZMFQOB-YPMHNXCESA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@H](C)[C@@H](C[C@@H](C)CC)[NH2+]CC ZINC000126303783 573486302 /nfs/dbraw/zinc/48/63/02/573486302.db2.gz FGEUJVRPQOPHPQ-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)[C@H](C[C@@H](C)CC)[NH2+]CC ZINC000126304191 573485453 /nfs/dbraw/zinc/48/54/53/573485453.db2.gz FGEUJVRPQOPHPQ-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)C[C@@H](CC1CCCC1)[NH2+]C ZINC000126328262 573511658 /nfs/dbraw/zinc/51/16/58/573511658.db2.gz ONSRUHHNYCAKEI-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@@H](CC1CCCC1)[NH2+]C ZINC000126328516 573511745 /nfs/dbraw/zinc/51/17/45/573511745.db2.gz ONSRUHHNYCAKEI-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[C@H](CC1CCCC1)[NH2+]C ZINC000126328814 573512331 /nfs/dbraw/zinc/51/23/31/573512331.db2.gz ONSRUHHNYCAKEI-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@H](CC1CCCC1)[NH2+]C ZINC000126329082 573511158 /nfs/dbraw/zinc/51/11/58/573511158.db2.gz ONSRUHHNYCAKEI-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[C@H]([NH2+]C)C1(C)CCCC1 ZINC000126338411 573509795 /nfs/dbraw/zinc/50/97/95/573509795.db2.gz ZXIZHNHYCSUBKY-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@H]([NH2+]C)C1(C)CCCC1 ZINC000126338591 573512213 /nfs/dbraw/zinc/51/22/13/573512213.db2.gz ZXIZHNHYCSUBKY-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[C@@H]([NH2+]C)C1(C)CCCC1 ZINC000126338777 573512047 /nfs/dbraw/zinc/51/20/47/573512047.db2.gz ZXIZHNHYCSUBKY-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@@H]([NH2+]C)C1(C)CCCC1 ZINC000126338946 573509603 /nfs/dbraw/zinc/50/96/03/573509603.db2.gz ZXIZHNHYCSUBKY-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C[C@H](C)CC)[C@@H](C)C(C)C ZINC000126349732 573520949 /nfs/dbraw/zinc/52/09/49/573520949.db2.gz FKBWTPUTPKOKAC-FRRDWIJNSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](C[C@@H](C)CC)[C@@H](C)C(C)C ZINC000126349959 573523488 /nfs/dbraw/zinc/52/34/88/573523488.db2.gz FKBWTPUTPKOKAC-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@@H](C)[C@@H](CC1CCCC1)[NH2+]C ZINC000126414689 573535579 /nfs/dbraw/zinc/53/55/79/573535579.db2.gz DTNIBKRPSPRVSL-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@@H](CC1CCCC1)[NH2+]C ZINC000126414936 573534593 /nfs/dbraw/zinc/53/45/93/573534593.db2.gz DTNIBKRPSPRVSL-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[C@H](CC1CCCC1)[NH2+]C ZINC000126415164 573534749 /nfs/dbraw/zinc/53/47/49/573534749.db2.gz DTNIBKRPSPRVSL-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@H](CC1CCCC1)[NH2+]C ZINC000126415385 573532418 /nfs/dbraw/zinc/53/24/18/573532418.db2.gz DTNIBKRPSPRVSL-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(C)(C)[C@@H](CC1CCCC1)[NH2+]C ZINC000126427010 573533489 /nfs/dbraw/zinc/53/34/89/573533489.db2.gz KABSFMLANGOWFO-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(C)(C)[C@H](CC1CCCC1)[NH2+]C ZINC000126427205 573534377 /nfs/dbraw/zinc/53/43/77/573534377.db2.gz KABSFMLANGOWFO-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@H](CC1CCCC1)[NH2+]C ZINC000126461494 573543624 /nfs/dbraw/zinc/54/36/24/573543624.db2.gz SQQPAXWWWASDEX-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@H](CC1CCCC1)[NH2+]C ZINC000126461699 573543844 /nfs/dbraw/zinc/54/38/44/573543844.db2.gz SQQPAXWWWASDEX-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+][C@@H](C)C(C)(C)C)C1CC1 ZINC000126537526 573577922 /nfs/dbraw/zinc/57/79/22/573577922.db2.gz XHHMAAMRZOPLCR-JQWIXIFHSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H]([NH2+][C@H](C)C(C)(C)C)C1CC1 ZINC000126537975 573579962 /nfs/dbraw/zinc/57/99/62/573579962.db2.gz XHHMAAMRZOPLCR-PWSUYJOCSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@@H]([NH2+][C@H](C)C(C)(C)C)C1CC1 ZINC000126538174 573581590 /nfs/dbraw/zinc/58/15/90/573581590.db2.gz XHHMAAMRZOPLCR-ZYHUDNBSSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@@H](C)[C@@H](CCC(C)(C)C)[NH2+]C ZINC000126729792 573650006 /nfs/dbraw/zinc/65/00/06/573650006.db2.gz AIUFSAPQNKSKST-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)[C@@H](CCC(C)(C)C)[NH2+]C ZINC000126729960 573648544 /nfs/dbraw/zinc/64/85/44/573648544.db2.gz AIUFSAPQNKSKST-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)[C@H](CCC(C)(C)C)[NH2+]C ZINC000126730130 573651131 /nfs/dbraw/zinc/65/11/31/573651131.db2.gz AIUFSAPQNKSKST-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)[C@H](CCC(C)(C)C)[NH2+]C ZINC000126730334 573648562 /nfs/dbraw/zinc/64/85/62/573648562.db2.gz AIUFSAPQNKSKST-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)(C)CC[C@@H]([NH3+])C1(C)CCCC1 ZINC000126732840 573656940 /nfs/dbraw/zinc/65/69/40/573656940.db2.gz MGRUDBIDSDWYNO-LLVKDONJSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CC[C@H]([NH3+])C1(C)CCCC1 ZINC000126733097 573654871 /nfs/dbraw/zinc/65/48/71/573654871.db2.gz MGRUDBIDSDWYNO-NSHDSACASA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)[C@@H](CCC(C)(C)C)[NH2+]C ZINC000126744389 573667303 /nfs/dbraw/zinc/66/73/03/573667303.db2.gz DDQWYAFQQKXDIU-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(C)(C)[C@H](CCC(C)(C)C)[NH2+]C ZINC000126744645 573673757 /nfs/dbraw/zinc/67/37/57/573673757.db2.gz DDQWYAFQQKXDIU-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@H](CCC(C)(C)C)[C@H](C)C(C)C ZINC000126759490 573674708 /nfs/dbraw/zinc/67/47/08/573674708.db2.gz QJZDWPUBLJOTOL-VXGBXAGGSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](CCC(C)(C)C)[C@@H](C)C(C)C ZINC000126759739 573674014 /nfs/dbraw/zinc/67/40/14/573674014.db2.gz QJZDWPUBLJOTOL-NWDGAFQWSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@@H](CCC(C)(C)C)[C@H](C)C(C)C ZINC000126759971 573670202 /nfs/dbraw/zinc/67/02/02/573670202.db2.gz QJZDWPUBLJOTOL-NEPJUHHUSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@@H](CCC(C)(C)C)[C@@H](C)C(C)C ZINC000126760232 573672891 /nfs/dbraw/zinc/67/28/91/573672891.db2.gz QJZDWPUBLJOTOL-RYUDHWBXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](C)C[C@@H](CCC(C)(C)C)[NH2+]C ZINC000126764260 573681327 /nfs/dbraw/zinc/68/13/27/573681327.db2.gz QBUPLFJZZVJGHR-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)C[C@@H](CCC(C)(C)C)[NH2+]C ZINC000126764498 573679664 /nfs/dbraw/zinc/67/96/64/573679664.db2.gz QBUPLFJZZVJGHR-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)C[C@H](CCC(C)(C)C)[NH2+]C ZINC000126764726 573679931 /nfs/dbraw/zinc/67/99/31/573679931.db2.gz QBUPLFJZZVJGHR-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)C[C@H](CCC(C)(C)C)[NH2+]C ZINC000126765007 573676283 /nfs/dbraw/zinc/67/62/83/573676283.db2.gz QBUPLFJZZVJGHR-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)[C@H]([NH3+])CCC(C)(C)C ZINC000126766722 573678408 /nfs/dbraw/zinc/67/84/08/573678408.db2.gz ZFIYEUSCULIAQO-GHMZBOCLSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])CCC(C)(C)C ZINC000126766958 573676164 /nfs/dbraw/zinc/67/61/64/573676164.db2.gz ZFIYEUSCULIAQO-WDEREUQCSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H](C)[C@@H]([NH3+])CCC(C)(C)C ZINC000126767178 573676297 /nfs/dbraw/zinc/67/62/97/573676297.db2.gz ZFIYEUSCULIAQO-MNOVXSKESA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)[C@@H]([NH3+])CCC(C)(C)C ZINC000126767444 573680923 /nfs/dbraw/zinc/68/09/23/573680923.db2.gz ZFIYEUSCULIAQO-QWRGUYRKSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@@H](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000126784030 573685353 /nfs/dbraw/zinc/68/53/53/573685353.db2.gz AGIBFVKVBQSJAY-GHMZBOCLSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@@H](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000126784524 573684196 /nfs/dbraw/zinc/68/41/96/573684196.db2.gz AGIBFVKVBQSJAY-MNOVXSKESA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@H](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000126784787 573684345 /nfs/dbraw/zinc/68/43/45/573684345.db2.gz AGIBFVKVBQSJAY-QWRGUYRKSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)[C@@H](CCC(C)(C)C)[NH2+]C ZINC000126785075 573685163 /nfs/dbraw/zinc/68/51/63/573685163.db2.gz YWHCLKQQYVCPMQ-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@H](CCC(C)(C)C)[NH2+]C ZINC000126785294 573682952 /nfs/dbraw/zinc/68/29/52/573682952.db2.gz YWHCLKQQYVCPMQ-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)(C)CC[C@H]([NH3+])CC1CCCC1 ZINC000126785516 573683936 /nfs/dbraw/zinc/68/39/36/573683936.db2.gz IUXRTRLKWMLLJX-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CC[C@@H]([NH3+])CC1CCCC1 ZINC000126785728 573683262 /nfs/dbraw/zinc/68/32/62/573683262.db2.gz IUXRTRLKWMLLJX-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)[C@H]([NH3+])CCC(C)(C)C ZINC000126789279 573686525 /nfs/dbraw/zinc/68/65/25/573686525.db2.gz YKRSNFQNSJVFGY-SNVBAGLBSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(C)(C)[C@@H]([NH3+])CCC(C)(C)C ZINC000126789509 573685449 /nfs/dbraw/zinc/68/54/49/573685449.db2.gz YKRSNFQNSJVFGY-JTQLQIEISA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)[C@H]([NH3+])CCC(C)(C)C ZINC000126798737 573692057 /nfs/dbraw/zinc/69/20/57/573692057.db2.gz SJFSHUMTGWNGRG-LLVKDONJSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)[C@@H]([NH3+])CCC(C)(C)C ZINC000126799012 573690422 /nfs/dbraw/zinc/69/04/22/573690422.db2.gz SJFSHUMTGWNGRG-NSHDSACASA-N 1 0 185.355 3.576 10 0 AHAERO CCCCC[C@@H](CCC(C)(C)C)[NH2+]C ZINC000126799704 573690965 /nfs/dbraw/zinc/69/09/65/573690965.db2.gz WYEUFGLOWZCYDY-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](CCC(C)(C)C)[NH2+]C ZINC000126799923 573694002 /nfs/dbraw/zinc/69/40/02/573694002.db2.gz WYEUFGLOWZCYDY-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H]([NH3+])CCC(C)(C)C ZINC000126800149 573692762 /nfs/dbraw/zinc/69/27/62/573692762.db2.gz BOJNRWCEOXGZLS-NSHDSACASA-N 1 0 185.355 3.720 10 0 AHAERO CCCCC[C@@H]([NH3+])CCC(C)(C)C ZINC000126800408 573693344 /nfs/dbraw/zinc/69/33/44/573693344.db2.gz BOJNRWCEOXGZLS-LLVKDONJSA-N 1 0 185.355 3.720 10 0 AHAERO CCCCC[C@@](C)(C[NH2+]CC)C1CC1 ZINC000126918926 573741414 /nfs/dbraw/zinc/74/14/14/573741414.db2.gz FZUAZCQNUKCQTJ-ZDUSSCGKSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@](C)(C[NH2+]CC)C1CC1 ZINC000126919143 573740404 /nfs/dbraw/zinc/74/04/04/573740404.db2.gz FZUAZCQNUKCQTJ-CYBMUJFWSA-N 1 0 197.366 3.593 10 0 AHAERO C[C@@H](C[C@H]([NH3+])C(C)(C)C)CC(C)(C)C ZINC000126921361 573702938 /nfs/dbraw/zinc/70/29/38/573702938.db2.gz FFXPTIMGXXRATQ-QWRGUYRKSA-N 1 0 199.382 3.822 10 0 AHAERO C[C@@H](C[C@@H]([NH3+])C(C)(C)C)CC(C)(C)C ZINC000126921877 573711164 /nfs/dbraw/zinc/71/11/64/573711164.db2.gz FFXPTIMGXXRATQ-WDEREUQCSA-N 1 0 199.382 3.822 10 0 AHAERO C[C@H](C[C@@H]([NH3+])C(C)(C)C)CC(C)(C)C ZINC000126922130 573710790 /nfs/dbraw/zinc/71/07/90/573710790.db2.gz FFXPTIMGXXRATQ-GHMZBOCLSA-N 1 0 199.382 3.822 10 0 AHAERO CCCC[C@@H](CC)[C@H]([NH3+])C(C)(C)C ZINC000126928472 573707555 /nfs/dbraw/zinc/70/75/55/573707555.db2.gz XSKXOVBIBUKFNE-MNOVXSKESA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H](CC)[C@H]([NH3+])C(C)(C)C ZINC000126928667 573709982 /nfs/dbraw/zinc/70/99/82/573709982.db2.gz XSKXOVBIBUKFNE-QWRGUYRKSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@@H](CC)[C@@H]([NH3+])C(C)(C)C ZINC000126928868 573710062 /nfs/dbraw/zinc/71/00/62/573710062.db2.gz XSKXOVBIBUKFNE-GHMZBOCLSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H](CC)[C@@H]([NH3+])C(C)(C)C ZINC000126929099 573707956 /nfs/dbraw/zinc/70/79/56/573707956.db2.gz XSKXOVBIBUKFNE-WDEREUQCSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[NH2+][C@@H]([C@@H](C)C(C)C)C(C)(C)C ZINC000126939065 573725268 /nfs/dbraw/zinc/72/52/68/573725268.db2.gz NWDBXIPLIMHXNG-RYUDHWBXSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@H]([C@@H](C)C(C)C)C(C)(C)C ZINC000126939247 573728065 /nfs/dbraw/zinc/72/80/65/573728065.db2.gz NWDBXIPLIMHXNG-NWDGAFQWSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@@H]([C@H](C)C(C)C)C(C)(C)C ZINC000126939482 573726122 /nfs/dbraw/zinc/72/61/22/573726122.db2.gz NWDBXIPLIMHXNG-NEPJUHHUSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@H]([C@H](C)C(C)C)C(C)(C)C ZINC000126939689 573727060 /nfs/dbraw/zinc/72/70/60/573727060.db2.gz NWDBXIPLIMHXNG-VXGBXAGGSA-N 1 0 199.382 3.693 10 0 AHAERO CCCC(CCC)[C@H]([NH2+]C)C(C)(C)C ZINC000126942797 573724889 /nfs/dbraw/zinc/72/48/89/573724889.db2.gz VPQODRGBOJXUHD-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC(CCC)[C@@H]([NH2+]C)C(C)(C)C ZINC000126943002 573728011 /nfs/dbraw/zinc/72/80/11/573728011.db2.gz VPQODRGBOJXUHD-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](CC)[C@H]([NH2+]C)C(C)(C)C ZINC000126965012 573757816 /nfs/dbraw/zinc/75/78/16/573757816.db2.gz AWMCXNMKFQOAFM-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](CC)[C@H]([NH2+]C)C(C)(C)C ZINC000126965256 573758711 /nfs/dbraw/zinc/75/87/11/573758711.db2.gz AWMCXNMKFQOAFM-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](CC)[C@@H]([NH2+]C)C(C)(C)C ZINC000126965446 573756838 /nfs/dbraw/zinc/75/68/38/573756838.db2.gz AWMCXNMKFQOAFM-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](CC)[C@@H]([NH2+]C)C(C)(C)C ZINC000126965703 573757592 /nfs/dbraw/zinc/75/75/92/573757592.db2.gz AWMCXNMKFQOAFM-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC1([C@H]([NH2+]C)C(C)(C)C)CCCC1 ZINC000127002859 573749724 /nfs/dbraw/zinc/74/97/24/573749724.db2.gz ROBGLOSUVPNEDP-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC1([C@@H]([NH2+]C)C(C)(C)C)CCCC1 ZINC000127003105 573746333 /nfs/dbraw/zinc/74/63/33/573746333.db2.gz ROBGLOSUVPNEDP-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC(CCC)[C@H]([NH3+])C(C)(C)C ZINC000127020907 573746125 /nfs/dbraw/zinc/74/61/25/573746125.db2.gz FESKIVPXDVVKLC-NSHDSACASA-N 1 0 185.355 3.576 10 0 AHAERO CCCC(CCC)[C@@H]([NH3+])C(C)(C)C ZINC000127021155 573744523 /nfs/dbraw/zinc/74/45/23/573744523.db2.gz FESKIVPXDVVKLC-LLVKDONJSA-N 1 0 185.355 3.576 10 0 AHAERO C[NH2+][C@@H](C[C@H](C)C(C)(C)C)C(C)(C)C ZINC000127026361 573746911 /nfs/dbraw/zinc/74/69/11/573746911.db2.gz LWPUTBQYMLLMMR-QWRGUYRKSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](C[C@H](C)C(C)(C)C)C(C)(C)C ZINC000127026819 573748300 /nfs/dbraw/zinc/74/83/00/573748300.db2.gz LWPUTBQYMLLMMR-WDEREUQCSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](C[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000127027001 573744375 /nfs/dbraw/zinc/74/43/75/573744375.db2.gz LWPUTBQYMLLMMR-GHMZBOCLSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@@H]([C@H](C)CCC)C(C)(C)C ZINC000127038447 573750595 /nfs/dbraw/zinc/75/05/95/573750595.db2.gz NXMIRNUPENVRFL-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H]([C@@H](C)CCC)C(C)(C)C ZINC000127038691 573747980 /nfs/dbraw/zinc/74/79/80/573747980.db2.gz NXMIRNUPENVRFL-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H]([C@H](C)CCC)C(C)(C)C ZINC000127038913 573747074 /nfs/dbraw/zinc/74/70/74/573747074.db2.gz NXMIRNUPENVRFL-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H]([C@@H](C)CCC)C(C)(C)C ZINC000127039111 573745216 /nfs/dbraw/zinc/74/52/16/573745216.db2.gz NXMIRNUPENVRFL-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C(C)(C)C)C1(C)CCCC1 ZINC000127042617 573748064 /nfs/dbraw/zinc/74/80/64/573748064.db2.gz DIUBFFLUMLYRMR-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C(C)(C)C)C1(C)CCCC1 ZINC000127042819 573746390 /nfs/dbraw/zinc/74/63/90/573746390.db2.gz DIUBFFLUMLYRMR-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C(C)(C)C)C(C)(C)CC ZINC000127043528 573745691 /nfs/dbraw/zinc/74/56/91/573745691.db2.gz VKKDVJBHTBSPBS-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C(C)(C)C)C(C)(C)CC ZINC000127043749 573749731 /nfs/dbraw/zinc/74/97/31/573749731.db2.gz VKKDVJBHTBSPBS-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+]C[C@@](C)(CCC(C)C)C(C)C ZINC000127215981 573790886 /nfs/dbraw/zinc/79/08/86/573790886.db2.gz NRKFETWBPNQDQC-CYBMUJFWSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@](C)(CCC(C)C)C(C)C ZINC000127216197 573793822 /nfs/dbraw/zinc/79/38/22/573793822.db2.gz NRKFETWBPNQDQC-ZDUSSCGKSA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)C[C@@](C)(C[NH2+]C(C)C)C(C)C ZINC000127279575 573806549 /nfs/dbraw/zinc/80/65/49/573806549.db2.gz BOCRBZRBOMRULV-ZDUSSCGKSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[C@](C)(C[NH2+]C(C)C)C(C)C ZINC000127279791 573808162 /nfs/dbraw/zinc/80/81/62/573808162.db2.gz BOCRBZRBOMRULV-CYBMUJFWSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)(C)CCC[C@H]([NH3+])C1CCCC1 ZINC000127285033 573810182 /nfs/dbraw/zinc/81/01/82/573810182.db2.gz RKXGTDILABBYOP-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CCC[C@@H]([NH3+])C1CCCC1 ZINC000127285249 573810911 /nfs/dbraw/zinc/81/09/11/573810911.db2.gz RKXGTDILABBYOP-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CCCC[C@@H]([NH3+])C1CCCC1 ZINC000127287908 573809767 /nfs/dbraw/zinc/80/97/67/573809767.db2.gz IMLCSTIERRWSDX-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)CC[C@H]([NH3+])C1CCCC1 ZINC000127296995 573790015 /nfs/dbraw/zinc/79/00/15/573790015.db2.gz SGDMGPJONGURIW-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)CC[C@H]([NH3+])C1CCCC1 ZINC000127297221 573791048 /nfs/dbraw/zinc/79/10/48/573791048.db2.gz SGDMGPJONGURIW-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)CC[C@@H]([NH3+])C1CCCC1 ZINC000127297457 573795040 /nfs/dbraw/zinc/79/50/40/573795040.db2.gz SGDMGPJONGURIW-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)CC[C@@H]([NH3+])C1CCCC1 ZINC000127297689 573793287 /nfs/dbraw/zinc/79/32/87/573793287.db2.gz SGDMGPJONGURIW-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)CC[C@H]([NH3+])C1CCCC1 ZINC000127302417 573794441 /nfs/dbraw/zinc/79/44/41/573794441.db2.gz FZFREPFGEHBYFV-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)CC[C@@H]([NH3+])C1CCCC1 ZINC000127302645 573794734 /nfs/dbraw/zinc/79/47/34/573794734.db2.gz FZFREPFGEHBYFV-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)CC[C@H]([NH2+]C)C1CCCC1 ZINC000127308194 573798629 /nfs/dbraw/zinc/79/86/29/573798629.db2.gz GJFDTEKLUXVQKC-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)CC[C@H]([NH2+]C)C1CCCC1 ZINC000127308397 573797970 /nfs/dbraw/zinc/79/79/70/573797970.db2.gz GJFDTEKLUXVQKC-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)CC[C@@H]([NH2+]C)C1CCCC1 ZINC000127308611 573799537 /nfs/dbraw/zinc/79/95/37/573799537.db2.gz GJFDTEKLUXVQKC-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)CC[C@@H]([NH2+]C)C1CCCC1 ZINC000127308858 573799831 /nfs/dbraw/zinc/79/98/31/573799831.db2.gz GJFDTEKLUXVQKC-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@@]1([NH3+])CCCC[C@H]1C ZINC000127848626 573960194 /nfs/dbraw/zinc/96/01/94/573960194.db2.gz MURJLYNQPNJXQA-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@@](C)([NH3+])[C@H](C)CC ZINC000127858756 573957155 /nfs/dbraw/zinc/95/71/55/573957155.db2.gz CFKTXILPIDMBLX-ZYHUDNBSSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)C[C@@](C)([NH3+])[C@@H](C)CC ZINC000127858985 573958068 /nfs/dbraw/zinc/95/80/68/573958068.db2.gz CFKTXILPIDMBLX-CMPLNLGQSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)C[C@](C)([NH3+])[C@H](C)CC ZINC000127859196 573961021 /nfs/dbraw/zinc/96/10/21/573961021.db2.gz CFKTXILPIDMBLX-PWSUYJOCSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)C[C@](C)([NH3+])[C@@H](C)CC ZINC000127859466 573959146 /nfs/dbraw/zinc/95/91/46/573959146.db2.gz CFKTXILPIDMBLX-JQWIXIFHSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)C[C@@]([NH3+])(CC)C(C)C ZINC000127860641 573956213 /nfs/dbraw/zinc/95/62/13/573956213.db2.gz OAEVLWPFNAGXEQ-LBPRGKRZSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)C[C@]([NH3+])(CC)C(C)C ZINC000127860871 573959549 /nfs/dbraw/zinc/95/95/49/573959549.db2.gz OAEVLWPFNAGXEQ-GFCCVEGCSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)C[C@@]1([NH3+])CC[C@@H](CC)C1 ZINC000127870991 573956487 /nfs/dbraw/zinc/95/64/87/573956487.db2.gz XFORQNLWGSQDCJ-OLZOCXBDSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@]1([NH3+])CC[C@@H](CC)C1 ZINC000127871464 573959960 /nfs/dbraw/zinc/95/99/60/573959960.db2.gz XFORQNLWGSQDCJ-CHWSQXEVSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@]1([NH3+])CC[C@H](CC)C1 ZINC000127871672 573958078 /nfs/dbraw/zinc/95/80/78/573958078.db2.gz XFORQNLWGSQDCJ-QWHCGFSZSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@]1([NH3+])CCCC1(C)C ZINC000127880453 573956061 /nfs/dbraw/zinc/95/60/61/573956061.db2.gz VZGVTAUUEUSDEK-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@@]1([NH3+])CCCC1(C)C ZINC000127880678 573958090 /nfs/dbraw/zinc/95/80/90/573958090.db2.gz VZGVTAUUEUSDEK-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@]1([NH3+])CCC(C)(C)C1 ZINC000127881822 573958798 /nfs/dbraw/zinc/95/87/98/573958798.db2.gz PJQQSYIRFUPCBA-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@@]1([NH3+])CCC(C)(C)C1 ZINC000127882030 573960386 /nfs/dbraw/zinc/96/03/86/573960386.db2.gz PJQQSYIRFUPCBA-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@H]([NH3+])C1CCCCC1 ZINC000128046263 574013696 /nfs/dbraw/zinc/01/36/96/574013696.db2.gz HJCDPTIDHMAUJV-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@@H]([NH3+])C1CCCCC1 ZINC000128046484 574011311 /nfs/dbraw/zinc/01/13/11/574011311.db2.gz HJCDPTIDHMAUJV-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CC[NH2+][C@H](CC(C)C)CC(CC)CC ZINC000128056763 574014807 /nfs/dbraw/zinc/01/48/07/574014807.db2.gz WWTXERZUEXDNRY-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC(C)C)CC(CC)CC ZINC000128057006 574016593 /nfs/dbraw/zinc/01/65/93/574016593.db2.gz WWTXERZUEXDNRY-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](CC(CC)CC)C(C)C ZINC000128059646 574017310 /nfs/dbraw/zinc/01/73/10/574017310.db2.gz DUMOOLRGPIJXDJ-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CC(CC)CC)C(C)C ZINC000128059899 574016256 /nfs/dbraw/zinc/01/62/56/574016256.db2.gz DUMOOLRGPIJXDJ-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)CCCC(C)(C)C[NH2+]C1CC1 ZINC000128060204 574015408 /nfs/dbraw/zinc/01/54/08/574015408.db2.gz DACWMAWETJOXOZ-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC)CC(CC)CC ZINC000128062377 574014434 /nfs/dbraw/zinc/01/44/34/574014434.db2.gz YMAXZOHVKNMZOO-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@H](CC)CC(CC)CC ZINC000128062571 574016524 /nfs/dbraw/zinc/01/65/24/574016524.db2.gz YMAXZOHVKNMZOO-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@@H](CC(CC)CC)[NH2+]CC ZINC000128065571 574017196 /nfs/dbraw/zinc/01/71/96/574017196.db2.gz NOQZHPWANBYMIU-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](CC(CC)CC)[NH2+]CC ZINC000128065771 574016480 /nfs/dbraw/zinc/01/64/80/574016480.db2.gz NOQZHPWANBYMIU-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](CCC)CC(CC)CC ZINC000128065991 574016563 /nfs/dbraw/zinc/01/65/63/574016563.db2.gz TYCZHTQHNBWPCU-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@H](CCC)CC(CC)CC ZINC000128066174 574015268 /nfs/dbraw/zinc/01/52/68/574015268.db2.gz TYCZHTQHNBWPCU-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CC[NH2+][C@H](CC(CC)CC)C(C)(C)C ZINC000128067089 574014991 /nfs/dbraw/zinc/01/49/91/574014991.db2.gz VSXIEFADMODNDG-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CC(CC)CC)[C@H](C)CC ZINC000128103556 574028327 /nfs/dbraw/zinc/02/83/27/574028327.db2.gz RRJLVGDORPZQTQ-DGCLKSJQSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CC(CC)CC)[C@@H](C)CC ZINC000128103792 574028610 /nfs/dbraw/zinc/02/86/10/574028610.db2.gz RRJLVGDORPZQTQ-WCQYABFASA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC(CC)CC)[C@@H](C)CC ZINC000128104208 574026569 /nfs/dbraw/zinc/02/65/69/574026569.db2.gz RRJLVGDORPZQTQ-AAEUAGOBSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC(CC)CC)C1CCC1 ZINC000128120515 574030605 /nfs/dbraw/zinc/03/06/05/574030605.db2.gz IFRULCWUDCVPJG-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC(CC)CC)C1CCC1 ZINC000128120792 574030052 /nfs/dbraw/zinc/03/00/52/574030052.db2.gz IFRULCWUDCVPJG-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@H]([NH3+])[C@@H]1CC[C@H](C)C1 ZINC000128158993 574026018 /nfs/dbraw/zinc/02/60/18/574026018.db2.gz GBODUQGXMKQGFK-UHTWSYAYSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)C[C@H]([NH3+])[C@H]1CC[C@H](C)C1 ZINC000128159382 574024837 /nfs/dbraw/zinc/02/48/37/574024837.db2.gz GBODUQGXMKQGFK-DRZSPHRISA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@]1(CC(CC)CC)CCC[NH2+]1 ZINC000128165585 574024986 /nfs/dbraw/zinc/02/49/86/574024986.db2.gz DBIMARBSWUSLSV-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@]1(CC(CC)CC)CCC[NH2+]1 ZINC000128165781 574024799 /nfs/dbraw/zinc/02/47/99/574024799.db2.gz DBIMARBSWUSLSV-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC(CC)C[C@]1(C)CCCCC[NH2+]1 ZINC000128177181 574034231 /nfs/dbraw/zinc/03/42/31/574034231.db2.gz SGEVHXISILOAAE-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC(CC)C[C@@]1(C)CCCCC[NH2+]1 ZINC000128177393 574033504 /nfs/dbraw/zinc/03/35/04/574033504.db2.gz SGEVHXISILOAAE-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H](CC(CC)CC)[NH2+]C ZINC000128181776 574032931 /nfs/dbraw/zinc/03/29/31/574032931.db2.gz UNLRVXNFSUPVIU-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](CC(CC)CC)[NH2+]C ZINC000128181973 574033868 /nfs/dbraw/zinc/03/38/68/574033868.db2.gz UNLRVXNFSUPVIU-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](CC(CC)CC)[NH2+]CC ZINC000128182222 574034455 /nfs/dbraw/zinc/03/44/55/574034455.db2.gz DRJOTTUGFTUMNT-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC(CC)CC)[NH2+]CC ZINC000128182434 574033084 /nfs/dbraw/zinc/03/30/84/574033084.db2.gz DRJOTTUGFTUMNT-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CC[NH2+][C@@H](CC(CC)CC)C1(C)CC1 ZINC000128214541 574038809 /nfs/dbraw/zinc/03/88/09/574038809.db2.gz COJIJMTXZTUVJM-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC(CC)CC)C1(C)CC1 ZINC000128214741 574037944 /nfs/dbraw/zinc/03/79/44/574037944.db2.gz COJIJMTXZTUVJM-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC(CC)CC)CC1CC1 ZINC000128218735 574038555 /nfs/dbraw/zinc/03/85/55/574038555.db2.gz ZDKYFBWOARZMCR-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC(CC)CC)CC1CC1 ZINC000128218932 574037773 /nfs/dbraw/zinc/03/77/73/574037773.db2.gz ZDKYFBWOARZMCR-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@H](C[NH2+]C)CC(C)C ZINC000128386877 573009102 /nfs/dbraw/zinc/00/91/02/573009102.db2.gz CYAQPZKLZZLHJD-CYBMUJFWSA-N 1 0 199.382 3.694 10 0 AHAERO CCC(CC)C[C@@H](C[NH2+]C)CC(C)C ZINC000128387075 573014490 /nfs/dbraw/zinc/01/44/90/573014490.db2.gz CYAQPZKLZZLHJD-ZDUSSCGKSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@H](C[NH2+]CC)CC(CC)CC ZINC000128389958 573009794 /nfs/dbraw/zinc/00/97/94/573009794.db2.gz CCMQVSRZDYIVRU-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@@H](C[NH2+]CC)CC(CC)CC ZINC000128390190 573013470 /nfs/dbraw/zinc/01/34/70/573013470.db2.gz CCMQVSRZDYIVRU-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCCC[C@@H](CC1CCC1)[NH2+]C ZINC000128392233 573009431 /nfs/dbraw/zinc/00/94/31/573009431.db2.gz IFHHOCMHFNHTDV-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H](CC1CCC1)[NH2+]C ZINC000128392451 573010129 /nfs/dbraw/zinc/01/01/29/573010129.db2.gz IFHHOCMHFNHTDV-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+]C[C@H](CC(CC)CC)C(C)C ZINC000128393803 573009531 /nfs/dbraw/zinc/00/95/31/573009531.db2.gz YWUUAOKCBGKFLV-ZDUSSCGKSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@@H](CC(CC)CC)C(C)C ZINC000128394071 573010811 /nfs/dbraw/zinc/01/08/11/573010811.db2.gz YWUUAOKCBGKFLV-CYBMUJFWSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@@H](CC)CC(CC)CC ZINC000128398273 573032400 /nfs/dbraw/zinc/03/24/00/573032400.db2.gz RIMGRGHOGNVMJU-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@H](CC)CC(CC)CC ZINC000128398482 573029555 /nfs/dbraw/zinc/02/95/55/573029555.db2.gz RIMGRGHOGNVMJU-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCC(CC)C[C@@H](CC)C[NH2+]C(C)C ZINC000128398768 573034048 /nfs/dbraw/zinc/03/40/48/573034048.db2.gz WHAKEEPPFLUXGN-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](CC)[C@H]([NH3+])CC1CCC1 ZINC000128398976 573030094 /nfs/dbraw/zinc/03/00/94/573030094.db2.gz ZXRHJZHKBLNRMJ-CHWSQXEVSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@H](CC)C[NH2+]C(C)C ZINC000128398986 573032987 /nfs/dbraw/zinc/03/29/87/573032987.db2.gz WHAKEEPPFLUXGN-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](CC)[C@H]([NH3+])CC1CCC1 ZINC000128399207 573032148 /nfs/dbraw/zinc/03/21/48/573032148.db2.gz ZXRHJZHKBLNRMJ-QWHCGFSZSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@@H](CC)C[NH2+]C1CC1 ZINC000128399236 573033231 /nfs/dbraw/zinc/03/32/31/573033231.db2.gz HIUOQXZIUOPVSI-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)[C@@H]([NH3+])CC1CCC1 ZINC000128399442 573032683 /nfs/dbraw/zinc/03/26/83/573032683.db2.gz ZXRHJZHKBLNRMJ-OLZOCXBDSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)[C@@H]([NH3+])CC1CCC1 ZINC000128399718 573031568 /nfs/dbraw/zinc/03/15/68/573031568.db2.gz ZXRHJZHKBLNRMJ-STQMWFEESA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)CC1(C[NH3+])CCCCC1 ZINC000128400821 573037080 /nfs/dbraw/zinc/03/70/80/573037080.db2.gz NWKZIYXPSPYRMX-UHFFFAOYSA-N 1 0 197.366 3.722 10 0 AHAERO CCC[C@](C)(C[NH3+])CC(CC)CC ZINC000128401772 573036915 /nfs/dbraw/zinc/03/69/15/573036915.db2.gz PVBOQUGPMGVECS-LBPRGKRZSA-N 1 0 185.355 3.578 10 0 AHAERO CCC[C@@](C)(C[NH3+])CC(CC)CC ZINC000128402031 573039522 /nfs/dbraw/zinc/03/95/22/573039522.db2.gz PVBOQUGPMGVECS-GFCCVEGCSA-N 1 0 185.355 3.578 10 0 AHAERO CCC(CC)CC(CC)(CC)C[NH3+] ZINC000128402865 573038635 /nfs/dbraw/zinc/03/86/35/573038635.db2.gz UBLKTSVKZYQUCJ-UHFFFAOYSA-N 1 0 185.355 3.578 10 0 AHAERO CCC[NH2+]CC(C)(C)CC(CC)CC ZINC000128404937 573039591 /nfs/dbraw/zinc/03/95/91/573039591.db2.gz ULTYUADVAPUWIV-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CCC(CC)CC(C)(C)C[NH2+]C(C)C ZINC000128405181 573040988 /nfs/dbraw/zinc/04/09/88/573040988.db2.gz VYUAAUAOBACDMY-UHFFFAOYSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@](C)(C[NH2+]C)CC(CC)CC ZINC000128408397 573036483 /nfs/dbraw/zinc/03/64/83/573036483.db2.gz YRCYSSYCXGVOFZ-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@@](C)(C[NH2+]C)CC(CC)CC ZINC000128408607 573038342 /nfs/dbraw/zinc/03/83/42/573038342.db2.gz YRCYSSYCXGVOFZ-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCC(CC)CC(CC)(CC)C[NH2+]C ZINC000128411078 573036469 /nfs/dbraw/zinc/03/64/69/573036469.db2.gz MZEIEDOUTPHCPK-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CC[NH2+]C[C@](C)(CC)CC(CC)CC ZINC000128413260 573036632 /nfs/dbraw/zinc/03/66/32/573036632.db2.gz LTJSZZDSZOLSBN-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CC[NH2+]C[C@@](C)(CC)CC(CC)CC ZINC000128413457 573040588 /nfs/dbraw/zinc/04/05/88/573040588.db2.gz LTJSZZDSZOLSBN-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCCCC[C@@H](CC1CCC1)[NH2+]CC ZINC000128419043 573039984 /nfs/dbraw/zinc/03/99/84/573039984.db2.gz HCYJITHABXULJK-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H](CC1CCC1)[NH2+]CC ZINC000128419263 573039534 /nfs/dbraw/zinc/03/95/34/573039534.db2.gz HCYJITHABXULJK-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+]CC1(CC(CC)CC)CCC1 ZINC000128420087 573038569 /nfs/dbraw/zinc/03/85/69/573038569.db2.gz QKCMADQRJGQABZ-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC1(CC(CC)CC)CC1 ZINC000128422686 573038362 /nfs/dbraw/zinc/03/83/62/573038362.db2.gz WZCCRTWOKJRDFC-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+][C@H](CC1CCC1)C(CC)CC ZINC000128440610 573035768 /nfs/dbraw/zinc/03/57/68/573035768.db2.gz YVXYUWINBJHGMY-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC1CCC1)C(CC)CC ZINC000128440856 573039385 /nfs/dbraw/zinc/03/93/85/573039385.db2.gz YVXYUWINBJHGMY-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000128444195 573039865 /nfs/dbraw/zinc/03/98/65/573039865.db2.gz QYRKCUOBPZWPOD-STQMWFEESA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@H]1CCCCC[C@@H]1[NH3+] ZINC000128444395 573034783 /nfs/dbraw/zinc/03/47/83/573034783.db2.gz QYRKCUOBPZWPOD-OLZOCXBDSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@@H]1CCCCC[C@H]1[NH3+] ZINC000128444614 573037688 /nfs/dbraw/zinc/03/76/88/573037688.db2.gz QYRKCUOBPZWPOD-QWHCGFSZSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@H]1CCCCC[C@H]1[NH3+] ZINC000128444849 573040759 /nfs/dbraw/zinc/04/07/59/573040759.db2.gz QYRKCUOBPZWPOD-CHWSQXEVSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000128445950 573040978 /nfs/dbraw/zinc/04/09/78/573040978.db2.gz QGDHSOHZEPCJHS-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@H]1CCCC[C@@H]1[NH2+]C ZINC000128446184 573038913 /nfs/dbraw/zinc/03/89/13/573038913.db2.gz QGDHSOHZEPCJHS-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@@H]1CCCC[C@H]1[NH2+]C ZINC000128446437 573037037 /nfs/dbraw/zinc/03/70/37/573037037.db2.gz QGDHSOHZEPCJHS-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCC[C@H]1CC(CC)CC ZINC000128452239 573039048 /nfs/dbraw/zinc/03/90/48/573039048.db2.gz YZVSNWXCSPLCGZ-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CCC[C@@H]1CC(CC)CC ZINC000128452463 573040191 /nfs/dbraw/zinc/04/01/91/573040191.db2.gz YZVSNWXCSPLCGZ-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCC[C@H]1CC(CC)CC ZINC000128452705 573035742 /nfs/dbraw/zinc/03/57/42/573035742.db2.gz YZVSNWXCSPLCGZ-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCC[C@@H]1CC(CC)CC ZINC000128452910 573035852 /nfs/dbraw/zinc/03/58/52/573035852.db2.gz YZVSNWXCSPLCGZ-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C[C@H](C)CC)CC1CCC1 ZINC000128458359 573043123 /nfs/dbraw/zinc/04/31/23/573043123.db2.gz AEJYUMLFKYWZIR-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@@H](C)[C@@H](C)[NH2+]C1CC1 ZINC000128458510 573042998 /nfs/dbraw/zinc/04/29/98/573042998.db2.gz YEWHDXWYRBVAPE-GHMZBOCLSA-N 1 0 197.366 3.589 10 0 AHAERO CC[NH2+][C@@H](C[C@@H](C)CC)CC1CCC1 ZINC000128458592 573047550 /nfs/dbraw/zinc/04/75/50/573047550.db2.gz AEJYUMLFKYWZIR-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@H](C)[C@@H](C)[NH2+]C1CC1 ZINC000128458721 573046249 /nfs/dbraw/zinc/04/62/49/573046249.db2.gz YEWHDXWYRBVAPE-WDEREUQCSA-N 1 0 197.366 3.589 10 0 AHAERO CC[NH2+][C@H](C[C@H](C)CC)CC1CCC1 ZINC000128458780 573044053 /nfs/dbraw/zinc/04/40/53/573044053.db2.gz AEJYUMLFKYWZIR-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@@H](C)[C@H](C)[NH2+]C1CC1 ZINC000128458947 573044697 /nfs/dbraw/zinc/04/46/97/573044697.db2.gz YEWHDXWYRBVAPE-MNOVXSKESA-N 1 0 197.366 3.589 10 0 AHAERO CC[NH2+][C@H](C[C@@H](C)CC)CC1CCC1 ZINC000128459005 573042206 /nfs/dbraw/zinc/04/22/06/573042206.db2.gz AEJYUMLFKYWZIR-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@H](C)[C@H](C)[NH2+]C1CC1 ZINC000128459180 573045336 /nfs/dbraw/zinc/04/53/36/573045336.db2.gz YEWHDXWYRBVAPE-QWRGUYRKSA-N 1 0 197.366 3.589 10 0 AHAERO CC[NH2+][C@@H](C)[C@@H](C)C1CCCCCC1 ZINC000128459463 573042323 /nfs/dbraw/zinc/04/23/23/573042323.db2.gz MJHPASGZILDSLV-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)[C@@H](C)C1CCCCCC1 ZINC000128459679 573042122 /nfs/dbraw/zinc/04/21/22/573042122.db2.gz MJHPASGZILDSLV-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C)[C@H](C)C1CCCCCC1 ZINC000128459885 573043149 /nfs/dbraw/zinc/04/31/49/573043149.db2.gz MJHPASGZILDSLV-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)[C@H](C)C1CCCCCC1 ZINC000128460095 573047608 /nfs/dbraw/zinc/04/76/08/573047608.db2.gz MJHPASGZILDSLV-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@@H](C)[C@@H](C)[NH2+]C(C)C ZINC000128462203 573043872 /nfs/dbraw/zinc/04/38/72/573043872.db2.gz IOYKBGYLLUVVTK-VXGBXAGGSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)C[C@H](C)[C@@H](C)[NH2+]C(C)C ZINC000128462455 573047153 /nfs/dbraw/zinc/04/71/53/573047153.db2.gz IOYKBGYLLUVVTK-NWDGAFQWSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)C[C@@H](C)[C@H](C)[NH2+]C(C)C ZINC000128462676 573043790 /nfs/dbraw/zinc/04/37/90/573043790.db2.gz IOYKBGYLLUVVTK-NEPJUHHUSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)C[C@H](C)[C@H](C)[NH2+]C(C)C ZINC000128462883 573047440 /nfs/dbraw/zinc/04/74/40/573047440.db2.gz IOYKBGYLLUVVTK-RYUDHWBXSA-N 1 0 199.382 3.835 10 0 AHAERO CC[NH2+][C@H](CC1CCC1)C(C)(C)CC ZINC000128467584 573045055 /nfs/dbraw/zinc/04/50/55/573045055.db2.gz PWSMQXWZNHLARP-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC1CCC1)C(C)(C)CC ZINC000128467817 573046408 /nfs/dbraw/zinc/04/64/08/573046408.db2.gz PWSMQXWZNHLARP-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H](C[C@H]([NH3+])CC1CCC1)C(C)(C)C ZINC000128469468 573044889 /nfs/dbraw/zinc/04/48/89/573044889.db2.gz STTRWGSHWWXXAU-JQWIXIFHSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H](C[C@H]([NH3+])CC1CCC1)C(C)(C)C ZINC000128469728 573044411 /nfs/dbraw/zinc/04/44/11/573044411.db2.gz STTRWGSHWWXXAU-PWSUYJOCSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H](C[C@@H]([NH3+])CC1CCC1)C(C)(C)C ZINC000128469972 573047673 /nfs/dbraw/zinc/04/76/73/573047673.db2.gz STTRWGSHWWXXAU-CMPLNLGQSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H](C[C@@H]([NH3+])CC1CCC1)C(C)(C)C ZINC000128470169 573044850 /nfs/dbraw/zinc/04/48/50/573044850.db2.gz STTRWGSHWWXXAU-ZYHUDNBSSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC(CCC)[C@H]([NH3+])CC1CCC1 ZINC000128518454 573056871 /nfs/dbraw/zinc/05/68/71/573056871.db2.gz KUIDZPHWRHQBDW-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC(CCC)[C@@H]([NH3+])CC1CCC1 ZINC000128518661 573055368 /nfs/dbraw/zinc/05/53/68/573055368.db2.gz KUIDZPHWRHQBDW-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)[C@@H](CC1CCC1)[NH2+]CC ZINC000128524376 573056430 /nfs/dbraw/zinc/05/64/30/573056430.db2.gz NJMCDAMWEILZHO-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@@H](CC1CCC1)[NH2+]CC ZINC000128524631 573054816 /nfs/dbraw/zinc/05/48/16/573054816.db2.gz NJMCDAMWEILZHO-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[C@H](CC1CCC1)[NH2+]CC ZINC000128524859 573056678 /nfs/dbraw/zinc/05/66/78/573056678.db2.gz NJMCDAMWEILZHO-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@H](CC1CCC1)[NH2+]CC ZINC000128525045 573056649 /nfs/dbraw/zinc/05/66/49/573056649.db2.gz NJMCDAMWEILZHO-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@@H]1C[C@H](CC)CC[NH2+]1 ZINC000128568565 573072258 /nfs/dbraw/zinc/07/22/58/573072258.db2.gz OQHGFHFGERNSQM-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@@H]1C[C@@H](CC)CC[NH2+]1 ZINC000128568814 573077135 /nfs/dbraw/zinc/07/71/35/573077135.db2.gz OQHGFHFGERNSQM-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@H]1C[C@H](CC)CC[NH2+]1 ZINC000128569015 573076615 /nfs/dbraw/zinc/07/66/15/573076615.db2.gz OQHGFHFGERNSQM-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@H]1C[C@@H](CC)CC[NH2+]1 ZINC000128569214 573076187 /nfs/dbraw/zinc/07/61/87/573076187.db2.gz OQHGFHFGERNSQM-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000128594229 573077037 /nfs/dbraw/zinc/07/70/37/573077037.db2.gz CDALCLFMDIFHDJ-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH3+])CCC1CCCCCC1 ZINC000128609554 573080829 /nfs/dbraw/zinc/08/08/29/573080829.db2.gz WCGCYZNKBZTCOY-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO CCC[C@@H]([NH3+])CCC1CCCCCC1 ZINC000128609767 573079658 /nfs/dbraw/zinc/07/96/58/573079658.db2.gz WCGCYZNKBZTCOY-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CCC[C@H]([NH3+])CCCC(CC)CC ZINC000128610009 573083396 /nfs/dbraw/zinc/08/33/96/573083396.db2.gz WSOKLXUWKKBWEC-LBPRGKRZSA-N 1 0 185.355 3.720 10 0 AHAERO CCC[C@@H]([NH3+])CCCC(CC)CC ZINC000128610244 573080785 /nfs/dbraw/zinc/08/07/85/573080785.db2.gz WSOKLXUWKKBWEC-GFCCVEGCSA-N 1 0 185.355 3.720 10 0 AHAERO CCC(CC)C[C@@H]1CCCC[C@H]([NH3+])C1 ZINC000128611416 573082952 /nfs/dbraw/zinc/08/29/52/573082952.db2.gz GLKUWVXOUBLWGY-STQMWFEESA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@H]1CCCC[C@H]([NH3+])C1 ZINC000128611569 573083105 /nfs/dbraw/zinc/08/31/05/573083105.db2.gz GLKUWVXOUBLWGY-OLZOCXBDSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@@H]1CCCC[C@@H]([NH3+])C1 ZINC000128611822 573081055 /nfs/dbraw/zinc/08/10/55/573081055.db2.gz GLKUWVXOUBLWGY-QWHCGFSZSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@H]1CCCC[C@@H]([NH3+])C1 ZINC000128612053 573081144 /nfs/dbraw/zinc/08/11/44/573081144.db2.gz GLKUWVXOUBLWGY-CHWSQXEVSA-N 1 0 197.366 3.720 10 0 AHAERO C[C@@H](C[C@H]([NH3+])CC1CC1)CC(C)(C)C ZINC000128613291 573083241 /nfs/dbraw/zinc/08/32/41/573083241.db2.gz SJGXCIWKGZMEQE-JQWIXIFHSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@@H]([NH3+])CCC1CCCCCC1 ZINC000128613559 573078823 /nfs/dbraw/zinc/07/88/23/573078823.db2.gz AMQJZUBEZDEPBA-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO C[C@@H](C[C@@H]([NH3+])CC1CC1)CC(C)(C)C ZINC000128613738 573082921 /nfs/dbraw/zinc/08/29/21/573082921.db2.gz SJGXCIWKGZMEQE-CMPLNLGQSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)CCC[C@H]([NH3+])C(C)C ZINC000128613813 573082482 /nfs/dbraw/zinc/08/24/82/573082482.db2.gz DGHDZYJWPLMQFB-LBPRGKRZSA-N 1 0 185.355 3.576 10 0 AHAERO C[C@H](C[C@@H]([NH3+])CC1CC1)CC(C)(C)C ZINC000128613979 573081674 /nfs/dbraw/zinc/08/16/74/573081674.db2.gz SJGXCIWKGZMEQE-ZYHUDNBSSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)CCC[C@@H]([NH3+])C(C)C ZINC000128614025 573079128 /nfs/dbraw/zinc/07/91/28/573079128.db2.gz DGHDZYJWPLMQFB-GFCCVEGCSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)CCC[C@H]([NH3+])C(C)(C)C ZINC000128616100 573081504 /nfs/dbraw/zinc/08/15/04/573081504.db2.gz LPDAQARDPZXWGZ-LBPRGKRZSA-N 1 0 199.382 3.966 10 0 AHAERO CCC(CC)CCC[C@@H]([NH3+])C(C)(C)C ZINC000128616311 573079028 /nfs/dbraw/zinc/07/90/28/573079028.db2.gz LPDAQARDPZXWGZ-GFCCVEGCSA-N 1 0 199.382 3.966 10 0 AHAERO CC(C)[NH2+]CCCC1CCCCCC1 ZINC000128617537 573080282 /nfs/dbraw/zinc/08/02/82/573080282.db2.gz LAWYYNBHTNSDLD-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H](C)CCCC(CC)CC ZINC000128620182 573080027 /nfs/dbraw/zinc/08/00/27/573080027.db2.gz NYFCYUMLWFHBIT-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCC[NH2+][C@@H](C)CCCC(CC)CC ZINC000128620420 573079493 /nfs/dbraw/zinc/07/94/93/573079493.db2.gz GPOMPAQJNHSDFI-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CC[NH2+][C@H]1CC[C@@H](CC(CC)CC)C1 ZINC000128624371 573081511 /nfs/dbraw/zinc/08/15/11/573081511.db2.gz BTPBGRJGBQGXGL-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CC[C@H](CC(CC)CC)C1 ZINC000128624580 573082988 /nfs/dbraw/zinc/08/29/88/573082988.db2.gz BTPBGRJGBQGXGL-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CC[C@@H](CC(CC)CC)C1 ZINC000128624799 573082430 /nfs/dbraw/zinc/08/24/30/573082430.db2.gz BTPBGRJGBQGXGL-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CC[C@H](CC(CC)CC)C1 ZINC000128625026 573082905 /nfs/dbraw/zinc/08/29/05/573082905.db2.gz BTPBGRJGBQGXGL-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@@H]1CCC[C@H]([NH2+]C)C1 ZINC000128627986 573087940 /nfs/dbraw/zinc/08/79/40/573087940.db2.gz RMDKFZMTCVSXIW-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@H]1CCC[C@H]([NH2+]C)C1 ZINC000128628195 573088221 /nfs/dbraw/zinc/08/82/21/573088221.db2.gz RMDKFZMTCVSXIW-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@@H]1CCC[C@@H]([NH2+]C)C1 ZINC000128628384 573087528 /nfs/dbraw/zinc/08/75/28/573087528.db2.gz RMDKFZMTCVSXIW-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](CCCC(CC)CC)[NH2+]C ZINC000128632005 573091187 /nfs/dbraw/zinc/09/11/87/573091187.db2.gz LPPAZHZBKXZWMN-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](CCCC(CC)CC)[NH2+]C ZINC000128632223 573092154 /nfs/dbraw/zinc/09/21/54/573092154.db2.gz LPPAZHZBKXZWMN-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC(CCC)[C@@H](CC1CC1)[NH2+]C ZINC000128633693 573093694 /nfs/dbraw/zinc/09/36/94/573093694.db2.gz XWPKKUOHIVKILI-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC(CCC)[C@H](CC1CC1)[NH2+]C ZINC000128633904 573093682 /nfs/dbraw/zinc/09/36/82/573093682.db2.gz XWPKKUOHIVKILI-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](CCC1CCCCCC1)[NH2+]C ZINC000128637180 573091735 /nfs/dbraw/zinc/09/17/35/573091735.db2.gz BUGMDXCBNDKMLT-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@H](CCC1CCCCCC1)[NH2+]C ZINC000128637394 573095272 /nfs/dbraw/zinc/09/52/72/573095272.db2.gz BUGMDXCBNDKMLT-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC(CC)CCC[C@@H](CC)[NH2+]C ZINC000128637602 573091698 /nfs/dbraw/zinc/09/16/98/573091698.db2.gz DQUSAPMRMYFXFX-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CCC(CC)CCC[C@H](CC)[NH2+]C ZINC000128637805 573095114 /nfs/dbraw/zinc/09/51/14/573095114.db2.gz DQUSAPMRMYFXFX-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@H](CC)CCCC(CC)CC ZINC000128638482 573094211 /nfs/dbraw/zinc/09/42/11/573094211.db2.gz LJXRTCCBYFYSBM-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CCC(CC)CCC[C@H]([NH2+]C)C(C)C ZINC000128640347 573095986 /nfs/dbraw/zinc/09/59/86/573095986.db2.gz HCOANTWWUHUCJM-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)CCC[C@@H]([NH2+]C)C(C)C ZINC000128640548 573091640 /nfs/dbraw/zinc/09/16/40/573091640.db2.gz HCOANTWWUHUCJM-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)CCC[C@H]([NH2+]C)C1CC1 ZINC000128642784 573091141 /nfs/dbraw/zinc/09/11/41/573091141.db2.gz ICZYVMJQIJWEBM-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)CCC[C@@H]([NH2+]C)C1CC1 ZINC000128643021 573096009 /nfs/dbraw/zinc/09/60/09/573096009.db2.gz ICZYVMJQIJWEBM-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+]C[C@@H](C)CC1CCCCCC1 ZINC000128648998 573092572 /nfs/dbraw/zinc/09/25/72/573092572.db2.gz WTDIQGZYUHTJNF-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]C[C@H](C)CC1CCCCCC1 ZINC000128649205 573092294 /nfs/dbraw/zinc/09/22/94/573092294.db2.gz WTDIQGZYUHTJNF-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@@H](C)CCC(CC)CC ZINC000128650371 573095049 /nfs/dbraw/zinc/09/50/49/573095049.db2.gz UMEOKMCWFXOBLQ-LBPRGKRZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@H](C)CCC(CC)CC ZINC000128650596 573095749 /nfs/dbraw/zinc/09/57/49/573095749.db2.gz UMEOKMCWFXOBLQ-GFCCVEGCSA-N 1 0 199.382 3.839 10 0 AHAERO CCC(CC)CC[C@@H](C)C[NH2+]C(C)C ZINC000128651250 573092714 /nfs/dbraw/zinc/09/27/14/573092714.db2.gz KZBXWHZQARHLFI-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)CC[C@H](C)C[NH2+]C(C)C ZINC000128651433 573092143 /nfs/dbraw/zinc/09/21/43/573092143.db2.gz KZBXWHZQARHLFI-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)CC[C@@H](C)C[NH2+]C1CC1 ZINC000128652082 573094356 /nfs/dbraw/zinc/09/43/56/573094356.db2.gz JAJAPKMAWNIRRB-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)CC[C@H](C)C[NH2+]C1CC1 ZINC000128652318 573091962 /nfs/dbraw/zinc/09/19/62/573091962.db2.gz JAJAPKMAWNIRRB-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)[C@@H](CC1CC1)[NH2+]C ZINC000128655373 573093924 /nfs/dbraw/zinc/09/39/24/573093924.db2.gz WUCCKLFJKDWVQU-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](CC)[C@@H](CC1CC1)[NH2+]C ZINC000128655591 573093197 /nfs/dbraw/zinc/09/31/97/573093197.db2.gz WUCCKLFJKDWVQU-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)[C@H](CC1CC1)[NH2+]C ZINC000128655842 573095205 /nfs/dbraw/zinc/09/52/05/573095205.db2.gz WUCCKLFJKDWVQU-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](CC)[C@H](CC1CC1)[NH2+]C ZINC000128656063 573094662 /nfs/dbraw/zinc/09/46/62/573094662.db2.gz WUCCKLFJKDWVQU-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)C[C@H](C)C1CCCCCC1 ZINC000128658092 573094203 /nfs/dbraw/zinc/09/42/03/573094203.db2.gz BDHLEYFQBAHDTL-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)C[C@@H](C)C1CCCCCC1 ZINC000128658305 573093835 /nfs/dbraw/zinc/09/38/35/573093835.db2.gz BDHLEYFQBAHDTL-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](C)C[C@H](C)C1CCCCCC1 ZINC000128658512 573094272 /nfs/dbraw/zinc/09/42/72/573094272.db2.gz BDHLEYFQBAHDTL-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](C)C[C@@H](C)C1CCCCCC1 ZINC000128658745 573092739 /nfs/dbraw/zinc/09/27/39/573092739.db2.gz BDHLEYFQBAHDTL-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)C[C@H](C)CC(CC)CC ZINC000128660677 573097317 /nfs/dbraw/zinc/09/73/17/573097317.db2.gz KANMJVTULLLUJT-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)C[C@@H](C)CC(CC)CC ZINC000128660924 573101112 /nfs/dbraw/zinc/10/11/12/573101112.db2.gz KANMJVTULLLUJT-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C)C[C@H](C)CC(CC)CC ZINC000128661140 573100544 /nfs/dbraw/zinc/10/05/44/573100544.db2.gz KANMJVTULLLUJT-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C)C[C@@H](C)CC(CC)CC ZINC000128661336 573096597 /nfs/dbraw/zinc/09/65/97/573096597.db2.gz KANMJVTULLLUJT-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)CC(C)(C)C[C@@H](C)[NH3+] ZINC000128664227 573098976 /nfs/dbraw/zinc/09/89/76/573098976.db2.gz CGTUHCOJBHDJKE-SNVBAGLBSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)CC(C)(C)C[C@H](C)[NH3+] ZINC000128664457 573096548 /nfs/dbraw/zinc/09/65/48/573096548.db2.gz CGTUHCOJBHDJKE-JTQLQIEISA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)CC(C)(C)C[C@@H](C)[NH2+]C ZINC000128665149 573098637 /nfs/dbraw/zinc/09/86/37/573098637.db2.gz OKOSJQBSYHLLJW-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)CC(C)(C)C[C@H](C)[NH2+]C ZINC000128665428 573099613 /nfs/dbraw/zinc/09/96/13/573099613.db2.gz OKOSJQBSYHLLJW-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)CC[C@@H]([NH3+])CC1=CCCCC1 ZINC000128688383 573105613 /nfs/dbraw/zinc/10/56/13/573105613.db2.gz WYLPREJPARZJHK-CYBMUJFWSA-N 1 0 195.350 3.640 10 0 AHAERO CCC[NH2+][C@H](CC1CC1)[C@H](C)CCC ZINC000128728731 573116549 /nfs/dbraw/zinc/11/65/49/573116549.db2.gz BEXFYKIPJQZCJU-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC1CC1)[C@@H](C)CCC ZINC000128728952 573117453 /nfs/dbraw/zinc/11/74/53/573117453.db2.gz BEXFYKIPJQZCJU-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC1CC1)[C@H](C)CCC ZINC000128729162 573116452 /nfs/dbraw/zinc/11/64/52/573116452.db2.gz BEXFYKIPJQZCJU-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC1CC1)[C@@H](C)CCC ZINC000128729376 573117020 /nfs/dbraw/zinc/11/70/20/573117020.db2.gz BEXFYKIPJQZCJU-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC1CC1)C(C)(C)CC ZINC000128733685 573117810 /nfs/dbraw/zinc/11/78/10/573117810.db2.gz MZRVOCKNFFYDAL-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC1CC1)C(C)(C)CC ZINC000128733908 573116782 /nfs/dbraw/zinc/11/67/82/573116782.db2.gz MZRVOCKNFFYDAL-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](CC1=CCCCC1)CC(C)C ZINC000128742872 573118146 /nfs/dbraw/zinc/11/81/46/573118146.db2.gz JTJMLSONJXIMKF-CYBMUJFWSA-N 1 0 195.350 3.511 10 0 AHAERO CCC(CC)C[C@]1(C[NH3+])CC[C@H](C)C1 ZINC000128814000 573137144 /nfs/dbraw/zinc/13/71/44/573137144.db2.gz ADZGWLZDOCHTAF-AAEUAGOBSA-N 1 0 197.366 3.578 10 0 AHAERO CCC(CC)C[C@]1(C[NH3+])CC[C@@H](C)C1 ZINC000128814416 573138404 /nfs/dbraw/zinc/13/84/04/573138404.db2.gz ADZGWLZDOCHTAF-YPMHNXCESA-N 1 0 197.366 3.578 10 0 AHAERO CCC(CC)C[C@@]1(C[NH3+])CC[C@@H](C)C1 ZINC000128814654 573137486 /nfs/dbraw/zinc/13/74/86/573137486.db2.gz ADZGWLZDOCHTAF-DGCLKSJQSA-N 1 0 197.366 3.578 10 0 AHAERO CC[NH2+]CC/C=C/C1CCCCCC1 ZINC000128922208 573143963 /nfs/dbraw/zinc/14/39/63/573143963.db2.gz VGJBUTOQURLGOY-YRNVUSSQSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]CC/C=C/CC(CC)CC ZINC000128922407 573139764 /nfs/dbraw/zinc/13/97/64/573139764.db2.gz VTHVEGRSKBSNSQ-BQYQJAHWSA-N 1 0 197.366 3.759 10 0 AHAERO CCC(CC)C/C=C/CC[NH2+]C(C)C ZINC000128922845 573141231 /nfs/dbraw/zinc/14/12/31/573141231.db2.gz CQAJHUVDMSIQHF-BQYQJAHWSA-N 1 0 197.366 3.757 10 0 AHAERO CCC(CC)C/C=C/CC[NH2+]C1CC1 ZINC000128923271 573140869 /nfs/dbraw/zinc/14/08/69/573140869.db2.gz BZUBSIYNKVPNGW-AATRIKPKSA-N 1 0 195.350 3.511 10 0 AHAERO C[NH2+]CC/C=C(/C)C1CCCCCC1 ZINC000128925622 573139858 /nfs/dbraw/zinc/13/98/58/573139858.db2.gz QJPLHHYHJDYXLV-WQLSENKSSA-N 1 0 195.350 3.513 10 0 AHAERO CC[NH2+]CC/C=C(/C)CC(CC)CC ZINC000128925871 573142134 /nfs/dbraw/zinc/14/21/34/573142134.db2.gz MHSPSBCDSIDOIP-XFXZXTDPSA-N 1 0 197.366 3.759 10 0 AHAERO [NH3+][C@H]1CCCC(=C2CCCCCC2)C1 ZINC000128934842 343840783 /nfs/dbraw/zinc/84/07/83/343840783.db2.gz IROVASRTQOOQEW-ZDUSSCGKSA-N 1 0 193.334 3.539 10 0 AHAERO [NH3+][C@@H]1CCCC(=C2CCCCCC2)C1 ZINC000128935058 343840919 /nfs/dbraw/zinc/84/09/19/343840919.db2.gz IROVASRTQOOQEW-CYBMUJFWSA-N 1 0 193.334 3.539 10 0 AHAERO CCC(CC)C[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000128954656 573150460 /nfs/dbraw/zinc/15/04/60/573150460.db2.gz WQINOCRLDPRZGQ-WXHSDQCUSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)C[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000128955044 573153386 /nfs/dbraw/zinc/15/33/86/573153386.db2.gz WQINOCRLDPRZGQ-DRZSPHRISA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)C[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000128968791 573174669 /nfs/dbraw/zinc/17/46/69/573174669.db2.gz MSCDNLPIZMPPNW-QWHCGFSZSA-N 1 0 197.366 3.578 10 0 AHAERO CCC(CC)C[C@@H]1CCCC[C@H]1C[NH3+] ZINC000128969203 573174380 /nfs/dbraw/zinc/17/43/80/573174380.db2.gz MSCDNLPIZMPPNW-STQMWFEESA-N 1 0 197.366 3.578 10 0 AHAERO CCC(CC)C[C@H]1CCCC[C@H]1C[NH3+] ZINC000128969447 573173539 /nfs/dbraw/zinc/17/35/39/573173539.db2.gz MSCDNLPIZMPPNW-OLZOCXBDSA-N 1 0 197.366 3.578 10 0 AHAERO CC[NH2+]CC[C@H](C)C1CCCCCC1 ZINC000128979299 573178819 /nfs/dbraw/zinc/17/88/19/573178819.db2.gz HQQSOXUTSMKTBO-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC[C@@H](C)CC(CC)CC ZINC000128980858 573180799 /nfs/dbraw/zinc/18/07/99/573180799.db2.gz NCEWIYLWYRGPMY-GFCCVEGCSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]CC[C@H](C)CC(CC)CC ZINC000128981099 573181028 /nfs/dbraw/zinc/18/10/28/573181028.db2.gz NCEWIYLWYRGPMY-LBPRGKRZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC(CC)C[C@@H](C)CC[NH2+]C(C)C ZINC000128981748 573178142 /nfs/dbraw/zinc/17/81/42/573178142.db2.gz BWIQPTACZRDTLZ-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C[C@H](C)CC[NH2+]C(C)C ZINC000128981999 573180732 /nfs/dbraw/zinc/18/07/32/573180732.db2.gz BWIQPTACZRDTLZ-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C[C@H](C)CC[NH2+]C1CC1 ZINC000128982872 573178176 /nfs/dbraw/zinc/17/81/76/573178176.db2.gz FKMNUYWMUUGCCN-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+]C[C@H](C)[C@H](C)CC(CC)CC ZINC000128988299 573163863 /nfs/dbraw/zinc/16/38/63/573163863.db2.gz MTSXZVZMTVEFAK-NEPJUHHUSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@H](C)[C@@H](C)CC(CC)CC ZINC000128988492 573168749 /nfs/dbraw/zinc/16/87/49/573168749.db2.gz MTSXZVZMTVEFAK-RYUDHWBXSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@@H](C)[C@H](C)CC(CC)CC ZINC000128988701 573167415 /nfs/dbraw/zinc/16/74/15/573167415.db2.gz MTSXZVZMTVEFAK-VXGBXAGGSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@@H](C)[C@@H](C)CC(CC)CC ZINC000128988914 573168599 /nfs/dbraw/zinc/16/85/99/573168599.db2.gz MTSXZVZMTVEFAK-NWDGAFQWSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@@H](C)C[NH2+]C(C)(C)C1CCCC1 ZINC000129145401 573237285 /nfs/dbraw/zinc/23/72/85/573237285.db2.gz HJAFWPPBZPCRBM-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[NH2+]C(C)(C)C1CCCC1 ZINC000129145641 573237970 /nfs/dbraw/zinc/23/79/70/573237970.db2.gz HJAFWPPBZPCRBM-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[C@H]([NH3+])C1CCC(C)CC1 ZINC000129166103 573242046 /nfs/dbraw/zinc/24/20/46/573242046.db2.gz FVPIOAPEKNWELD-KPFVRQRISA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])C1CCC(C)CC1 ZINC000129166347 573245858 /nfs/dbraw/zinc/24/58/58/573245858.db2.gz FVPIOAPEKNWELD-MVKMKZAISA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H](C)[C@@H]([NH3+])C1CCC(C)CC1 ZINC000129166564 573246209 /nfs/dbraw/zinc/24/62/09/573246209.db2.gz FVPIOAPEKNWELD-POOIEITISA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](C)[C@@H]([NH3+])C1CCC(C)CC1 ZINC000129166817 573241323 /nfs/dbraw/zinc/24/13/23/573241323.db2.gz FVPIOAPEKNWELD-PYNQCMFNSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[NH2+][C@@H](C)[C@@H](C)CC(CC)CC ZINC000129237994 573271517 /nfs/dbraw/zinc/27/15/17/573271517.db2.gz OLZVAGVVLLOCOI-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)[C@@H](C)CC(CC)CC ZINC000129238208 573271676 /nfs/dbraw/zinc/27/16/76/573271676.db2.gz OLZVAGVVLLOCOI-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C)[C@H](C)CC(CC)CC ZINC000129238393 573272975 /nfs/dbraw/zinc/27/29/75/573272975.db2.gz OLZVAGVVLLOCOI-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)[C@H](C)CC(CC)CC ZINC000129238625 573271716 /nfs/dbraw/zinc/27/17/16/573271716.db2.gz OLZVAGVVLLOCOI-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)[C@H](CC)CC(CC)CC ZINC000129240598 573273239 /nfs/dbraw/zinc/27/32/39/573273239.db2.gz YXFSGQVQKQMYRV-DGCLKSJQSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)[C@@H](CC)CC(CC)CC ZINC000129240817 573269479 /nfs/dbraw/zinc/26/94/79/573269479.db2.gz YXFSGQVQKQMYRV-YPMHNXCESA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C)[C@H](CC)CC(CC)CC ZINC000129241022 573270676 /nfs/dbraw/zinc/27/06/76/573270676.db2.gz YXFSGQVQKQMYRV-WCQYABFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C[C@@H](C(C)C)[C@@H](C)[NH2+]C ZINC000129248534 573274578 /nfs/dbraw/zinc/27/45/78/573274578.db2.gz JRGLNRRHDSIGIV-YPMHNXCESA-N 1 0 199.382 3.693 10 0 AHAERO CCC(CC)C[C@H](C(C)C)[C@@H](C)[NH2+]C ZINC000129248735 573273024 /nfs/dbraw/zinc/27/30/24/573273024.db2.gz JRGLNRRHDSIGIV-DGCLKSJQSA-N 1 0 199.382 3.693 10 0 AHAERO CCC(CC)C[C@@H](C(C)C)[C@H](C)[NH2+]C ZINC000129248940 573271129 /nfs/dbraw/zinc/27/11/29/573271129.db2.gz JRGLNRRHDSIGIV-AAEUAGOBSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](CC)[C@H](C)CC(CC)CC ZINC000129252884 573274370 /nfs/dbraw/zinc/27/43/70/573274370.db2.gz MMEZJKGYXWPYLD-DGCLKSJQSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CC)[C@@H](C)CC(CC)CC ZINC000129253055 573272368 /nfs/dbraw/zinc/27/23/68/573272368.db2.gz MMEZJKGYXWPYLD-WCQYABFASA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC)[C@H](C)CC(CC)CC ZINC000129253239 573271610 /nfs/dbraw/zinc/27/16/10/573271610.db2.gz MMEZJKGYXWPYLD-YPMHNXCESA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC)[C@@H](C)CC(CC)CC ZINC000129253445 573273128 /nfs/dbraw/zinc/27/31/28/573273128.db2.gz MMEZJKGYXWPYLD-AAEUAGOBSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)CC[C@H]([NH3+])CC(C)C ZINC000129254516 573268653 /nfs/dbraw/zinc/26/86/53/573268653.db2.gz NGKSAMAYRXLCIB-LBPRGKRZSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)CC[C@@H]([NH3+])CC(C)C ZINC000129254739 573268616 /nfs/dbraw/zinc/26/86/16/573268616.db2.gz NGKSAMAYRXLCIB-GFCCVEGCSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)CC[C@@H](CC(C)C)[NH2+]C ZINC000129254933 573272831 /nfs/dbraw/zinc/27/28/31/573272831.db2.gz KMZAGDMWRQNWNL-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO C/C=C/CC[NH2+]C(CCC)CCC ZINC000129402411 573284105 /nfs/dbraw/zinc/28/41/05/573284105.db2.gz UJEJWUKPYHWXQT-QPJJXVBHSA-N 1 0 183.339 3.511 10 0 AHAERO CCCCC[C@H]([NH3+])c1csc(C)c1 ZINC000129467237 573353125 /nfs/dbraw/zinc/35/31/25/573353125.db2.gz VRFIZKXLBYZNHA-NSHDSACASA-N 1 0 197.347 3.637 10 0 AHAERO CCCCC[C@@H]([NH3+])c1csc(C)c1 ZINC000129467493 573352465 /nfs/dbraw/zinc/35/24/65/573352465.db2.gz VRFIZKXLBYZNHA-LLVKDONJSA-N 1 0 197.347 3.637 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])[C@@H]1CCC[C@H](C)C1 ZINC000129517267 573330514 /nfs/dbraw/zinc/33/05/14/573330514.db2.gz AOHYBWPGFKRQFZ-RVMXOQNASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@H](C[NH3+])C1CCCCCC1 ZINC000129615189 573367666 /nfs/dbraw/zinc/36/76/66/573367666.db2.gz AKXRXJRYGBVKFA-ZDUSSCGKSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[NH2+]C[C@@H](C)C1CCCCCC1 ZINC000129637636 573376789 /nfs/dbraw/zinc/37/67/89/573376789.db2.gz WYMOLKCZILTFPZ-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@H](C)C1CCCCCC1 ZINC000129637869 573377597 /nfs/dbraw/zinc/37/75/97/573377597.db2.gz WYMOLKCZILTFPZ-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)[NH2+]C[C@@H](C)C1CCCCCC1 ZINC000129638056 573376795 /nfs/dbraw/zinc/37/67/95/573376795.db2.gz XEAMJTAQGWDGRI-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[NH2+]C[C@H](C)C1CCCCCC1 ZINC000129638259 573374515 /nfs/dbraw/zinc/37/45/15/573374515.db2.gz XEAMJTAQGWDGRI-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C[NH2+]C)C1CCCCCC1 ZINC000129644995 573378457 /nfs/dbraw/zinc/37/84/57/573378457.db2.gz CVRMANRZNXMMPF-ZDUSSCGKSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@H](CCC)C1CCCC1 ZINC000129647644 573376291 /nfs/dbraw/zinc/37/62/91/573376291.db2.gz WRVUJDXXAVHSIQ-ZDUSSCGKSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@@H](CCC)C1CCCC1 ZINC000129647843 573375127 /nfs/dbraw/zinc/37/51/27/573375127.db2.gz WRVUJDXXAVHSIQ-CYBMUJFWSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@H](C[NH2+]C(C)C)C1CCCC1 ZINC000129649149 573377324 /nfs/dbraw/zinc/37/73/24/573377324.db2.gz YFYIHTALIKAEAP-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+]C[C@H](CC)C1CCCCCC1 ZINC000129654533 573376421 /nfs/dbraw/zinc/37/64/21/573376421.db2.gz FVPFSCFZGMDVTJ-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]C[C@@H](CC)C1CCCCCC1 ZINC000129654714 573374301 /nfs/dbraw/zinc/37/43/01/573374301.db2.gz FVPFSCFZGMDVTJ-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@@H](CC)C1CCCCC1 ZINC000129655686 573378042 /nfs/dbraw/zinc/37/80/42/573378042.db2.gz YYTIJWSGNMEANS-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@H](CC)C1CCCCC1 ZINC000129655835 573376476 /nfs/dbraw/zinc/37/64/76/573376476.db2.gz YYTIJWSGNMEANS-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@@H](C[NH2+]C(C)C)C1CCCCC1 ZINC000129656915 573376662 /nfs/dbraw/zinc/37/66/62/573376662.db2.gz UTWDMMLBLNTCPV-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C[NH2+]C(C)C)C1CCCCC1 ZINC000129657125 573377639 /nfs/dbraw/zinc/37/76/39/573377639.db2.gz UTWDMMLBLNTCPV-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C[NH2+]C(C)(C)C)C1CCCC1 ZINC000129658954 573374774 /nfs/dbraw/zinc/37/47/74/573374774.db2.gz BIIIYYDPQNNLDS-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C[NH2+]C(C)(C)C)C1CCCC1 ZINC000129659177 573376832 /nfs/dbraw/zinc/37/68/32/573376832.db2.gz BIIIYYDPQNNLDS-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@](C)(C[NH3+])C1CCCCCC1 ZINC000129700361 573352775 /nfs/dbraw/zinc/35/27/75/573352775.db2.gz SNIZNXFOJGUOJJ-ZDUSSCGKSA-N 1 0 197.366 3.722 10 0 AHAERO CCC[C@](C)(C[NH3+])C1CCCCCC1 ZINC000129700565 573355073 /nfs/dbraw/zinc/35/50/73/573355073.db2.gz SNIZNXFOJGUOJJ-CYBMUJFWSA-N 1 0 197.366 3.722 10 0 AHAERO CCCC[C@](CC)(C[NH3+])C1CCCC1 ZINC000129702131 573353276 /nfs/dbraw/zinc/35/32/76/573353276.db2.gz CLXJAOULHQTEQT-CYBMUJFWSA-N 1 0 197.366 3.722 10 0 AHAERO CCC(CC)(C[NH3+])C1CCCCCC1 ZINC000129703204 573354103 /nfs/dbraw/zinc/35/41/03/573354103.db2.gz WYOUFJSHBRDREN-UHFFFAOYSA-N 1 0 197.366 3.722 10 0 AHAERO CC[NH2+]CC(C)(C)C1CCCCCC1 ZINC000129711518 573358269 /nfs/dbraw/zinc/35/82/69/573358269.db2.gz UUPGYYIIPVRHNJ-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CC(C)(C)C1CCCCC1 ZINC000129714478 573362072 /nfs/dbraw/zinc/36/20/72/573362072.db2.gz CMGOCJIOJGANIS-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@@](C)(C[NH2+]CC)C1CCCC1 ZINC000129745316 573363704 /nfs/dbraw/zinc/36/37/04/573363704.db2.gz YVMQFWRPPKPERD-ZDUSSCGKSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@](C)(C[NH2+]CC)C1CCCC1 ZINC000129745509 573361903 /nfs/dbraw/zinc/36/19/03/573361903.db2.gz YVMQFWRPPKPERD-CYBMUJFWSA-N 1 0 197.366 3.593 10 0 AHAERO CCC(CC)(C[NH2+]C)C1CCCCC1 ZINC000129751891 573361631 /nfs/dbraw/zinc/36/16/31/573361631.db2.gz IGCZZCQSMUJMHE-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CC(CC)(CC)C1CCCC1 ZINC000129752375 573362238 /nfs/dbraw/zinc/36/22/38/573362238.db2.gz BGYHTPICMGWIGC-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@@](C)(C[NH2+]C)C1CCCCCC1 ZINC000129758433 573359941 /nfs/dbraw/zinc/35/99/41/573359941.db2.gz JEUGLKXGEJNINA-ZDUSSCGKSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@](C)(C[NH2+]C)C1CCCCCC1 ZINC000129758634 573361318 /nfs/dbraw/zinc/36/13/18/573361318.db2.gz JEUGLKXGEJNINA-CYBMUJFWSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]C[C@](C)(CC)C1CCCCC1 ZINC000129759699 573359896 /nfs/dbraw/zinc/35/98/96/573359896.db2.gz XMTOPARGFMOCBH-ZDUSSCGKSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@@](C)(CC)C1CCCC1 ZINC000129760596 573364488 /nfs/dbraw/zinc/36/44/88/573364488.db2.gz XZTAPDKRRMSKCJ-CYBMUJFWSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@](C)(CC)C1CCCC1 ZINC000129760835 573366006 /nfs/dbraw/zinc/36/60/06/573366006.db2.gz XZTAPDKRRMSKCJ-ZDUSSCGKSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H](CC)[C@H]([NH2+]CC)C1CC1 ZINC000129760893 573368511 /nfs/dbraw/zinc/36/85/11/573368511.db2.gz GMYFTANTAPHQKJ-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)[C@@H]([NH2+]CC)C1CC1 ZINC000129761091 573364563 /nfs/dbraw/zinc/36/45/63/573364563.db2.gz GMYFTANTAPHQKJ-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@](C)(C[NH2+]C(C)C)C1CCCC1 ZINC000129762378 573364577 /nfs/dbraw/zinc/36/45/77/573364577.db2.gz WUIOJLZLGJXBGG-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@](C)(C[NH2+]C(C)C)C1CCCC1 ZINC000129762610 573368531 /nfs/dbraw/zinc/36/85/31/573368531.db2.gz WUIOJLZLGJXBGG-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC(CCC)[C@H]([NH2+]CC)C1CC1 ZINC000129821772 573395691 /nfs/dbraw/zinc/39/56/91/573395691.db2.gz LMMGMIIGFRWDRL-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC(CCC)[C@@H]([NH2+]CC)C1CC1 ZINC000129821972 573394187 /nfs/dbraw/zinc/39/41/87/573394187.db2.gz LMMGMIIGFRWDRL-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@@H](CCC1CC1)[NH2+]C ZINC000129864741 573400712 /nfs/dbraw/zinc/40/07/12/573400712.db2.gz KSVAYRXZZRFPJE-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H](CCC1CC1)[NH2+]C ZINC000129864972 573401976 /nfs/dbraw/zinc/40/19/76/573401976.db2.gz KSVAYRXZZRFPJE-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H](CC)[C@H]([NH3+])CCC1CC1 ZINC000129871062 573399122 /nfs/dbraw/zinc/39/91/22/573399122.db2.gz JFGNBWMLFZABBF-CHWSQXEVSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)[C@H]([NH3+])CCC1CC1 ZINC000129871248 573399779 /nfs/dbraw/zinc/39/97/79/573399779.db2.gz JFGNBWMLFZABBF-QWHCGFSZSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H](CC)[C@@H]([NH3+])CCC1CC1 ZINC000129871456 573400728 /nfs/dbraw/zinc/40/07/28/573400728.db2.gz JFGNBWMLFZABBF-OLZOCXBDSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)[C@@H]([NH3+])CCC1CC1 ZINC000129871673 573398832 /nfs/dbraw/zinc/39/88/32/573398832.db2.gz JFGNBWMLFZABBF-STQMWFEESA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@@H](CCC1CC1)[NH2+]CC ZINC000129890015 573412935 /nfs/dbraw/zinc/41/29/35/573412935.db2.gz RCQKYULHXGPPGN-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H](CCC1CC1)[NH2+]CC ZINC000129890217 573412443 /nfs/dbraw/zinc/41/24/43/573412443.db2.gz RCQKYULHXGPPGN-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@H](CCC1CC1)C(CC)CC ZINC000129910412 573420249 /nfs/dbraw/zinc/42/02/49/573420249.db2.gz LXVTVVVEVDZFKL-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CCC1CC1)C(CC)CC ZINC000129910622 573419922 /nfs/dbraw/zinc/41/99/22/573419922.db2.gz LXVTVVVEVDZFKL-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC1CC1)C[C@H](C)CC ZINC000129927578 573380391 /nfs/dbraw/zinc/38/03/91/573380391.db2.gz JRLQUNHOYYPTAI-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC1CC1)C[C@@H](C)CC ZINC000129927795 573381490 /nfs/dbraw/zinc/38/14/90/573381490.db2.gz JRLQUNHOYYPTAI-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CCC1CC1)C[C@H](C)CC ZINC000129927998 573381934 /nfs/dbraw/zinc/38/19/34/573381934.db2.gz JRLQUNHOYYPTAI-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CCC1CC1)C(C)(C)CC ZINC000129936173 573380489 /nfs/dbraw/zinc/38/04/89/573380489.db2.gz UKIHSFGKSFLSIQ-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CCC1CC1)C(C)(C)CC ZINC000129936401 573380775 /nfs/dbraw/zinc/38/07/75/573380775.db2.gz UKIHSFGKSFLSIQ-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H](C[C@H]([NH3+])CCC1CC1)C(C)(C)C ZINC000129937881 573382245 /nfs/dbraw/zinc/38/22/45/573382245.db2.gz KIEOSWWYPSQGHX-CMPLNLGQSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H](C[C@H]([NH3+])CCC1CC1)C(C)(C)C ZINC000129938067 573384297 /nfs/dbraw/zinc/38/42/97/573384297.db2.gz KIEOSWWYPSQGHX-ZYHUDNBSSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H](C[C@@H]([NH3+])CCC1CC1)C(C)(C)C ZINC000129938291 573385580 /nfs/dbraw/zinc/38/55/80/573385580.db2.gz KIEOSWWYPSQGHX-JQWIXIFHSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H](C[C@@H]([NH3+])CCC1CC1)C(C)(C)C ZINC000129938514 573384724 /nfs/dbraw/zinc/38/47/24/573384724.db2.gz KIEOSWWYPSQGHX-PWSUYJOCSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H]([NH2+]CCCC(C)(C)C)C1(C)CC1 ZINC000129964292 573415740 /nfs/dbraw/zinc/41/57/40/573415740.db2.gz ALOXFPARRQJKST-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]([NH2+]CCCC(C)(C)C)C1(C)CC1 ZINC000129964447 573419481 /nfs/dbraw/zinc/41/94/81/573419481.db2.gz ALOXFPARRQJKST-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)[NH2+]CCC(C)(C)C ZINC000129977677 573418868 /nfs/dbraw/zinc/41/88/68/573418868.db2.gz KKBLUSKKCCWJBQ-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)[NH2+]CCC(C)(C)C ZINC000129977907 573418471 /nfs/dbraw/zinc/41/84/71/573418471.db2.gz KKBLUSKKCCWJBQ-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@]([NH3+])(CC)C1CCCCC1 ZINC000129981091 573415875 /nfs/dbraw/zinc/41/58/75/573415875.db2.gz LDLFNKWLAWZYJR-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO CCCC[C@]([NH3+])(CC)C1CCCCC1 ZINC000129981325 573415107 /nfs/dbraw/zinc/41/51/07/573415107.db2.gz LDLFNKWLAWZYJR-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CCCC(CCC)[C@H]([NH3+])CCC1CC1 ZINC000129984463 573418058 /nfs/dbraw/zinc/41/80/58/573418058.db2.gz CGYVXTLTDWBMNB-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC(CCC)[C@@H]([NH3+])CCC1CC1 ZINC000129984667 573415671 /nfs/dbraw/zinc/41/56/71/573415671.db2.gz CGYVXTLTDWBMNB-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)[C@@H](CCC1CC1)[NH2+]CC ZINC000129990049 573426383 /nfs/dbraw/zinc/42/63/83/573426383.db2.gz JIDLTAMLPHQSET-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@@H](CCC1CC1)[NH2+]CC ZINC000129990255 573428262 /nfs/dbraw/zinc/42/82/62/573428262.db2.gz JIDLTAMLPHQSET-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[C@H](CCC1CC1)[NH2+]CC ZINC000129990485 573425965 /nfs/dbraw/zinc/42/59/65/573425965.db2.gz JIDLTAMLPHQSET-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[NH2+][C@H]1CCC[C@H]1CC ZINC000130226223 573491701 /nfs/dbraw/zinc/49/17/01/573491701.db2.gz GLFRZULOEHXAJB-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[NH2+][C@H]1CCC[C@@H]1CC ZINC000130226375 573489096 /nfs/dbraw/zinc/48/90/96/573489096.db2.gz GLFRZULOEHXAJB-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[NH2+][C@@H]1CCC[C@H]1CC ZINC000130226514 573487789 /nfs/dbraw/zinc/48/77/89/573487789.db2.gz GLFRZULOEHXAJB-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[NH2+][C@@H]1CCC[C@@H]1CC ZINC000130226701 573489404 /nfs/dbraw/zinc/48/94/04/573489404.db2.gz GLFRZULOEHXAJB-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC(CCC)[NH2+]CC(CC)CC ZINC000130229671 573489598 /nfs/dbraw/zinc/48/95/98/573489598.db2.gz KKIZXARPKGCMNT-UHFFFAOYSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)[NH2+]CC(CC)CC ZINC000130247127 573500400 /nfs/dbraw/zinc/50/04/00/573500400.db2.gz WTUXWJLLHNFEGF-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)[NH2+]CC(CC)CC ZINC000130247346 573498887 /nfs/dbraw/zinc/49/88/87/573498887.db2.gz WTUXWJLLHNFEGF-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CC(C)CC[C@@H](C)[NH2+][C@H]1C=CCCC1 ZINC000130693120 573650174 /nfs/dbraw/zinc/65/01/74/573650174.db2.gz WGMMUBNYAUFUIT-OLZOCXBDSA-N 1 0 195.350 3.509 10 0 AHAERO CC(C)CC[C@H](C)[NH2+][C@H]1C=CCCC1 ZINC000130693347 573651412 /nfs/dbraw/zinc/65/14/12/573651412.db2.gz WGMMUBNYAUFUIT-STQMWFEESA-N 1 0 195.350 3.509 10 0 AHAERO CC(C)CC[C@@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000130693534 573649519 /nfs/dbraw/zinc/64/95/19/573649519.db2.gz WGMMUBNYAUFUIT-CHWSQXEVSA-N 1 0 195.350 3.509 10 0 AHAERO CC(C)CC[C@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000130693746 573650007 /nfs/dbraw/zinc/65/00/07/573650007.db2.gz WGMMUBNYAUFUIT-QWHCGFSZSA-N 1 0 195.350 3.509 10 0 AHAERO CCCCC[C@H](C)[NH2+][C@H]1C=CCCC1 ZINC000130714745 573666870 /nfs/dbraw/zinc/66/68/70/573666870.db2.gz OVUBHOSPUIDOFD-STQMWFEESA-N 1 0 195.350 3.654 10 0 AHAERO CCCCC[C@@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000130714947 573665130 /nfs/dbraw/zinc/66/51/30/573665130.db2.gz OVUBHOSPUIDOFD-CHWSQXEVSA-N 1 0 195.350 3.654 10 0 AHAERO CCCCC[C@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000130715158 573666598 /nfs/dbraw/zinc/66/65/98/573666598.db2.gz OVUBHOSPUIDOFD-QWHCGFSZSA-N 1 0 195.350 3.654 10 0 AHAERO CCCCCC[C@@H](C=C(C)C)[NH2+]C ZINC000131006047 573766591 /nfs/dbraw/zinc/76/65/91/573766591.db2.gz XSOOUSUSDDQZQJ-LBPRGKRZSA-N 1 0 183.339 3.511 10 0 AHAERO CCCCCC[C@H](C=C(C)C)[NH2+]C ZINC000131006253 573761812 /nfs/dbraw/zinc/76/18/12/573761812.db2.gz XSOOUSUSDDQZQJ-GFCCVEGCSA-N 1 0 183.339 3.511 10 0 AHAERO CC(C)=C[C@@H]([NH3+])C[C@H](C)CC(C)(C)C ZINC000131006528 573761175 /nfs/dbraw/zinc/76/11/75/573761175.db2.gz RDVIYWPXWKSEOV-NWDGAFQWSA-N 1 0 197.366 3.742 10 0 AHAERO CC(C)=C[C@@H]([NH3+])C[C@@H](C)CC(C)(C)C ZINC000131006751 573765505 /nfs/dbraw/zinc/76/55/05/573765505.db2.gz RDVIYWPXWKSEOV-VXGBXAGGSA-N 1 0 197.366 3.742 10 0 AHAERO CC(C)=C[C@H]([NH3+])C[C@H](C)CC(C)(C)C ZINC000131006936 573764410 /nfs/dbraw/zinc/76/44/10/573764410.db2.gz RDVIYWPXWKSEOV-RYUDHWBXSA-N 1 0 197.366 3.742 10 0 AHAERO CC(C)=C[C@H]([NH3+])C[C@@H](C)CC(C)(C)C ZINC000131007146 573762316 /nfs/dbraw/zinc/76/23/16/573762316.db2.gz RDVIYWPXWKSEOV-NEPJUHHUSA-N 1 0 197.366 3.742 10 0 AHAERO C[NH2+][C@@H](C=C(C)C)CC1CCCCC1 ZINC000131009095 573764030 /nfs/dbraw/zinc/76/40/30/573764030.db2.gz WZQKWVKLSGXOHW-ZDUSSCGKSA-N 1 0 195.350 3.511 10 0 AHAERO C[NH2+][C@H](C=C(C)C)CC1CCCCC1 ZINC000131009334 573765040 /nfs/dbraw/zinc/76/50/40/573765040.db2.gz WZQKWVKLSGXOHW-CYBMUJFWSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@@H](C=C(C)C)[C@@H](C)C(C)C ZINC000131029677 573740001 /nfs/dbraw/zinc/74/00/01/573740001.db2.gz MFEYRNFZOAGGMP-STQMWFEESA-N 1 0 197.366 3.613 10 0 AHAERO CCC[NH2+][C@H](C=C(C)C)[C@@H](C)C(C)C ZINC000131029812 573737116 /nfs/dbraw/zinc/73/71/16/573737116.db2.gz MFEYRNFZOAGGMP-QWHCGFSZSA-N 1 0 197.366 3.613 10 0 AHAERO CCC[NH2+][C@@H](C=C(C)C)[C@H](C)C(C)C ZINC000131030080 573739911 /nfs/dbraw/zinc/73/99/11/573739911.db2.gz MFEYRNFZOAGGMP-OLZOCXBDSA-N 1 0 197.366 3.613 10 0 AHAERO CCC[NH2+][C@H](C=C(C)C)[C@H](C)C(C)C ZINC000131030246 573739435 /nfs/dbraw/zinc/73/94/35/573739435.db2.gz MFEYRNFZOAGGMP-CHWSQXEVSA-N 1 0 197.366 3.613 10 0 AHAERO CCCC(CCC)[C@H](C=C(C)C)[NH2+]C ZINC000131033578 573742134 /nfs/dbraw/zinc/74/21/34/573742134.db2.gz NABFKRPRDVKZDX-ZDUSSCGKSA-N 1 0 197.366 3.757 10 0 AHAERO CC(C)=C[C@H]([NH3+])CCC1CCCCC1 ZINC000131034225 573745922 /nfs/dbraw/zinc/74/59/22/573745922.db2.gz RZUOBXWIAUJYSU-CYBMUJFWSA-N 1 0 195.350 3.640 10 0 AHAERO CC(C)=C[C@@H]([NH3+])CCC1CCCCC1 ZINC000131034439 573744723 /nfs/dbraw/zinc/74/47/23/573744723.db2.gz RZUOBXWIAUJYSU-ZDUSSCGKSA-N 1 0 195.350 3.640 10 0 AHAERO CCCCC[C@@H](C=C(C)C)[NH2+]CC ZINC000131040660 573744817 /nfs/dbraw/zinc/74/48/17/573744817.db2.gz ZQMARDLNOIIQMN-LBPRGKRZSA-N 1 0 183.339 3.511 10 0 AHAERO CCCCCC[C@@H](C=C(C)C)[NH2+]CC ZINC000131041056 573745318 /nfs/dbraw/zinc/74/53/18/573745318.db2.gz CXXGCWFECWEMDX-ZDUSSCGKSA-N 1 0 197.366 3.901 10 0 AHAERO CCCCCC[C@H](C=C(C)C)[NH2+]CC ZINC000131041285 573745701 /nfs/dbraw/zinc/74/57/01/573745701.db2.gz CXXGCWFECWEMDX-CYBMUJFWSA-N 1 0 197.366 3.901 10 0 AHAERO CC[NH2+][C@H](C=C(C)C)CC1CCCC1 ZINC000131065739 573747612 /nfs/dbraw/zinc/74/76/12/573747612.db2.gz YIRIWYNTRZMBKT-CYBMUJFWSA-N 1 0 195.350 3.511 10 0 AHAERO CC[NH2+][C@@H](C=C(C)C)CC1CCCC1 ZINC000131065963 573750505 /nfs/dbraw/zinc/75/05/05/573750505.db2.gz YIRIWYNTRZMBKT-ZDUSSCGKSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC[C@@H](CC)[C@@H](C=C(C)C)[NH2+]C ZINC000131077921 573755129 /nfs/dbraw/zinc/75/51/29/573755129.db2.gz CABKQWMIYGHQOP-CHWSQXEVSA-N 1 0 197.366 3.757 10 0 AHAERO CCCC[C@@H](CC)[C@H](C=C(C)C)[NH2+]C ZINC000131078329 573754350 /nfs/dbraw/zinc/75/43/50/573754350.db2.gz CABKQWMIYGHQOP-OLZOCXBDSA-N 1 0 197.366 3.757 10 0 AHAERO CCCC[C@H](CC)[C@H](C=C(C)C)[NH2+]C ZINC000131078528 573754472 /nfs/dbraw/zinc/75/44/72/573754472.db2.gz CABKQWMIYGHQOP-STQMWFEESA-N 1 0 197.366 3.757 10 0 AHAERO C[NH2+][C@@H](C=C(C)C)CCC1CCCC1 ZINC000131109823 573790928 /nfs/dbraw/zinc/79/09/28/573790928.db2.gz IUGFBXIUXNYISP-CYBMUJFWSA-N 1 0 195.350 3.511 10 0 AHAERO C[NH2+][C@H](C=C(C)C)CCC1CCCC1 ZINC000131110029 573791785 /nfs/dbraw/zinc/79/17/85/573791785.db2.gz IUGFBXIUXNYISP-ZDUSSCGKSA-N 1 0 195.350 3.511 10 0 AHAERO CCC1([C@@H](C=C(C)C)[NH2+]C)CCCC1 ZINC000131140146 573768489 /nfs/dbraw/zinc/76/84/89/573768489.db2.gz BPVLOBXPNBZJQA-GFCCVEGCSA-N 1 0 195.350 3.511 10 0 AHAERO CCC1([C@H](C=C(C)C)[NH2+]C)CCCC1 ZINC000131140348 573769220 /nfs/dbraw/zinc/76/92/20/573769220.db2.gz BPVLOBXPNBZJQA-LBPRGKRZSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@H](C=C(C)C)C[C@@H](C)CC ZINC000131145454 573770325 /nfs/dbraw/zinc/77/03/25/573770325.db2.gz BFWHBSCTYCMKDB-QWHCGFSZSA-N 1 0 197.366 3.757 10 0 AHAERO CCC[NH2+][C@@H](C=C(C)C)C[C@@H](C)CC ZINC000131145669 573767504 /nfs/dbraw/zinc/76/75/04/573767504.db2.gz BFWHBSCTYCMKDB-STQMWFEESA-N 1 0 197.366 3.757 10 0 AHAERO CCC[NH2+][C@H](C=C(C)C)C[C@H](C)CC ZINC000131145856 573768395 /nfs/dbraw/zinc/76/83/95/573768395.db2.gz BFWHBSCTYCMKDB-CHWSQXEVSA-N 1 0 197.366 3.757 10 0 AHAERO CCC[NH2+][C@@H](C=C(C)C)C[C@H](C)CC ZINC000131146038 573769850 /nfs/dbraw/zinc/76/98/50/573769850.db2.gz BFWHBSCTYCMKDB-OLZOCXBDSA-N 1 0 197.366 3.757 10 0 AHAERO CCCCC[C@@H](C=C(C)C)[NH2+]CCC ZINC000131150236 573770467 /nfs/dbraw/zinc/77/04/67/573770467.db2.gz KJVXWQLUADETGZ-ZDUSSCGKSA-N 1 0 197.366 3.901 10 0 AHAERO C[NH2+][C@H](C=C(C)C)C[C@H](C)C(C)(C)C ZINC000131185751 573781933 /nfs/dbraw/zinc/78/19/33/573781933.db2.gz INBAHTVJAALIGY-NWDGAFQWSA-N 1 0 197.366 3.613 10 0 AHAERO C[NH2+][C@H](C=C(C)C)C[C@@H](C)C(C)(C)C ZINC000131185960 573781538 /nfs/dbraw/zinc/78/15/38/573781538.db2.gz INBAHTVJAALIGY-VXGBXAGGSA-N 1 0 197.366 3.613 10 0 AHAERO C[NH2+][C@@H](C=C(C)C)C[C@H](C)C(C)(C)C ZINC000131186155 573781821 /nfs/dbraw/zinc/78/18/21/573781821.db2.gz INBAHTVJAALIGY-RYUDHWBXSA-N 1 0 197.366 3.613 10 0 AHAERO CCC[NH2+][C@@H](C=C(C)C)C(CC)CC ZINC000131201982 573820704 /nfs/dbraw/zinc/82/07/04/573820704.db2.gz BTINMBJYXRXTJC-ZDUSSCGKSA-N 1 0 197.366 3.757 10 0 AHAERO CCC[NH2+][C@H](C=C(C)C)C(CC)CC ZINC000131202171 573817782 /nfs/dbraw/zinc/81/77/82/573817782.db2.gz BTINMBJYXRXTJC-CYBMUJFWSA-N 1 0 197.366 3.757 10 0 AHAERO CCC[NH2+][C@H](C=C(C)C)[C@H](C)CCC ZINC000131204946 573816789 /nfs/dbraw/zinc/81/67/89/573816789.db2.gz SYLJURLBIDJJDK-CHWSQXEVSA-N 1 0 197.366 3.757 10 0 AHAERO CCC[NH2+][C@H](C=C(C)C)[C@@H](C)CCC ZINC000131205150 573819777 /nfs/dbraw/zinc/81/97/77/573819777.db2.gz SYLJURLBIDJJDK-QWHCGFSZSA-N 1 0 197.366 3.757 10 0 AHAERO CCC[NH2+][C@@H](C=C(C)C)[C@H](C)CCC ZINC000131205365 573816582 /nfs/dbraw/zinc/81/65/82/573816582.db2.gz SYLJURLBIDJJDK-OLZOCXBDSA-N 1 0 197.366 3.757 10 0 AHAERO CCC[NH2+][C@@H](C=C(C)C)[C@@H](C)CCC ZINC000131205584 573818648 /nfs/dbraw/zinc/81/86/48/573818648.db2.gz SYLJURLBIDJJDK-STQMWFEESA-N 1 0 197.366 3.757 10 0 AHAERO CC[NH2+][C@@H](C=C(C)C)C1(C)CCCC1 ZINC000131211745 573823269 /nfs/dbraw/zinc/82/32/69/573823269.db2.gz DZHUVPPMMANVDE-LBPRGKRZSA-N 1 0 195.350 3.511 10 0 AHAERO CC[NH2+][C@H](C=C(C)C)C1(C)CCCC1 ZINC000131211985 573824724 /nfs/dbraw/zinc/82/47/24/573824724.db2.gz DZHUVPPMMANVDE-GFCCVEGCSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@@H](C=C(C)C)C(C)(C)CC ZINC000131212613 573821691 /nfs/dbraw/zinc/82/16/91/573821691.db2.gz AKOHSNQKWVERHB-LBPRGKRZSA-N 1 0 197.366 3.757 10 0 AHAERO CCC[NH2+][C@H](C=C(C)C)C(C)(C)CC ZINC000131212816 573822961 /nfs/dbraw/zinc/82/29/61/573822961.db2.gz AKOHSNQKWVERHB-GFCCVEGCSA-N 1 0 197.366 3.757 10 0 AHAERO C[C@H]([NH2+]CCC1=CCCC1)C(C)(C)C ZINC000131358111 573849128 /nfs/dbraw/zinc/84/91/28/573849128.db2.gz PAHVQXFMGGDWHP-NSHDSACASA-N 1 0 195.350 3.511 10 0 AHAERO C[C@@H]([NH2+]CCC1=CCCC1)C(C)(C)C ZINC000131358307 573843001 /nfs/dbraw/zinc/84/30/01/573843001.db2.gz PAHVQXFMGGDWHP-LLVKDONJSA-N 1 0 195.350 3.511 10 0 AHAERO Cc1cc(Cl)c([N+]#N)cc1Cl ZINC000132338570 343896895 /nfs/dbraw/zinc/89/68/95/343896895.db2.gz HPGHNPBZMOEBTH-UHFFFAOYSA-N 1 0 188.037 3.786 10 0 AHAERO CCCC[C@@H](CC)[C@H]([NH3+])C(CC)CC ZINC000132556754 573321035 /nfs/dbraw/zinc/32/10/35/573321035.db2.gz DZAIJIYJKHVBBY-CHWSQXEVSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)[C@H]([NH3+])C(CC)CC ZINC000132556948 573319421 /nfs/dbraw/zinc/31/94/21/573319421.db2.gz DZAIJIYJKHVBBY-QWHCGFSZSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](CC)[C@@H]([NH3+])C(CC)CC ZINC000132557080 573316934 /nfs/dbraw/zinc/31/69/34/573316934.db2.gz DZAIJIYJKHVBBY-OLZOCXBDSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)[C@@H]([NH3+])C(CC)CC ZINC000132557269 573321912 /nfs/dbraw/zinc/32/19/12/573321912.db2.gz DZAIJIYJKHVBBY-STQMWFEESA-N 1 0 199.382 3.966 10 0 AHAERO CC[NH2+]C(C(CC)CC)C(CC)CC ZINC000132582061 573318896 /nfs/dbraw/zinc/31/88/96/573318896.db2.gz QJEYCUACFAHTHH-UHFFFAOYSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H]([NH2+]CC1CCCC1)C(C)(C)C ZINC000132586927 491036525 /nfs/dbraw/zinc/03/65/25/491036525.db2.gz SOLWQTMJHUKKPQ-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH2+]CC1CCCC1)C(C)(C)C ZINC000132587146 491036578 /nfs/dbraw/zinc/03/65/78/491036578.db2.gz SOLWQTMJHUKKPQ-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C(CC)CC)C(C)(C)CC ZINC000132596741 573321536 /nfs/dbraw/zinc/32/15/36/573321536.db2.gz RNGBPFBXBIRNFW-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C(CC)CC)C(C)(C)CC ZINC000132596960 573327525 /nfs/dbraw/zinc/32/75/25/573327525.db2.gz RNGBPFBXBIRNFW-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@H]([NH3+])C[C@@H](C)C(C)(C)C ZINC000132597572 573324029 /nfs/dbraw/zinc/32/40/29/573324029.db2.gz YRFOAXODDPQVEL-ZYHUDNBSSA-N 1 0 199.382 3.822 10 0 AHAERO CCC(CC)[C@@H]([NH3+])C[C@@H](C)C(C)(C)C ZINC000132597758 573324731 /nfs/dbraw/zinc/32/47/31/573324731.db2.gz YRFOAXODDPQVEL-PWSUYJOCSA-N 1 0 199.382 3.822 10 0 AHAERO CCC(CC)[C@H]([NH3+])C[C@H](C)C(C)(C)C ZINC000132597969 573325960 /nfs/dbraw/zinc/32/59/60/573325960.db2.gz YRFOAXODDPQVEL-CMPLNLGQSA-N 1 0 199.382 3.822 10 0 AHAERO CCC(CC)[C@@H]([NH3+])C[C@H](C)C(C)(C)C ZINC000132598165 573323055 /nfs/dbraw/zinc/32/30/55/573323055.db2.gz YRFOAXODDPQVEL-JQWIXIFHSA-N 1 0 199.382 3.822 10 0 AHAERO CCC(CC)[C@H]([NH3+])C1(CC)CCCC1 ZINC000132613838 573324707 /nfs/dbraw/zinc/32/47/07/573324707.db2.gz BQBRVOZWZICCBQ-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@@H]([NH3+])C1(CC)CCCC1 ZINC000132614026 573327740 /nfs/dbraw/zinc/32/77/40/573327740.db2.gz BQBRVOZWZICCBQ-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@H]([NH3+])CCC1CCCC1 ZINC000132623843 573327267 /nfs/dbraw/zinc/32/72/67/573327267.db2.gz VPWZHZNNAPJJSD-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@@H]([NH3+])CCC1CCCC1 ZINC000132624061 573326561 /nfs/dbraw/zinc/32/65/61/573326561.db2.gz VPWZHZNNAPJJSD-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC(CCC)[C@H]([NH3+])C(CC)CC ZINC000132628951 573326160 /nfs/dbraw/zinc/32/61/60/573326160.db2.gz UOLPBERZGZYIMF-CYBMUJFWSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC(CCC)[C@@H]([NH3+])C(CC)CC ZINC000132629142 573323825 /nfs/dbraw/zinc/32/38/25/573323825.db2.gz UOLPBERZGZYIMF-ZDUSSCGKSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@@H](C)[C@H]([NH2+]CC)C(CC)CC ZINC000132631318 573326864 /nfs/dbraw/zinc/32/68/64/573326864.db2.gz QOKZRXJDUYVOGA-YPMHNXCESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)[C@H]([NH2+]CC)C(CC)CC ZINC000132631514 573327962 /nfs/dbraw/zinc/32/79/62/573327962.db2.gz QOKZRXJDUYVOGA-AAEUAGOBSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)[C@@H]([NH2+]CC)C(CC)CC ZINC000132631742 573326251 /nfs/dbraw/zinc/32/62/51/573326251.db2.gz QOKZRXJDUYVOGA-DGCLKSJQSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)[C@@H]([NH2+]CC)C(CC)CC ZINC000132631934 573325976 /nfs/dbraw/zinc/32/59/76/573325976.db2.gz QOKZRXJDUYVOGA-WCQYABFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@H]([NH2+]C)C1(C)CCCC1 ZINC000132649063 573323905 /nfs/dbraw/zinc/32/39/05/573323905.db2.gz JAJREZMILJPIMI-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@H]([NH2+]C)C1(C)CCCC1 ZINC000132649280 573328939 /nfs/dbraw/zinc/32/89/39/573328939.db2.gz JAJREZMILJPIMI-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C(CC)CC)[C@@H](C)C(C)C ZINC000132655018 573330603 /nfs/dbraw/zinc/33/06/03/573330603.db2.gz AOVGMVWXNBAIIO-WCQYABFASA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](C(CC)CC)[C@@H](C)C(C)C ZINC000132655243 573333906 /nfs/dbraw/zinc/33/39/06/573333906.db2.gz AOVGMVWXNBAIIO-AAEUAGOBSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@@H](C(CC)CC)[C@H](C)C(C)C ZINC000132655435 573333526 /nfs/dbraw/zinc/33/35/26/573333526.db2.gz AOVGMVWXNBAIIO-DGCLKSJQSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](C(CC)CC)[C@H](C)C(C)C ZINC000132655639 573333665 /nfs/dbraw/zinc/33/36/65/573333665.db2.gz AOVGMVWXNBAIIO-YPMHNXCESA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)[C@H]([NH3+])C[C@@H](C)CC(C)(C)C ZINC000132792852 573335464 /nfs/dbraw/zinc/33/54/64/573335464.db2.gz FOUJLOZGBOIQEW-GRYCIOLGSA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@H](C)[C@@H]([NH3+])C[C@@H](C)CC(C)(C)C ZINC000132793282 573340320 /nfs/dbraw/zinc/34/03/20/573340320.db2.gz FOUJLOZGBOIQEW-WOPDTQHZSA-N 1 0 199.382 3.822 10 0 AHAERO CCCC[C@H](CC)[C@H]([NH3+])[C@@H](C)CC ZINC000132802853 573343217 /nfs/dbraw/zinc/34/32/17/573343217.db2.gz QSQMHPQOGBQICK-SDDRHHMPSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H](CC)[C@@H]([NH3+])[C@@H](C)CC ZINC000132803255 573343637 /nfs/dbraw/zinc/34/36/37/573343637.db2.gz QSQMHPQOGBQICK-SRVKXCTJSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[NH2+][C@H]([C@@H](C)CC)[C@@H](C)C(C)C ZINC000132815087 573341514 /nfs/dbraw/zinc/34/15/14/573341514.db2.gz IGFZNZBNMXQZNQ-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@H]([C@H](C)CC)[C@@H](C)C(C)C ZINC000132815476 573342486 /nfs/dbraw/zinc/34/24/86/573342486.db2.gz IGFZNZBNMXQZNQ-FRRDWIJNSA-N 1 0 199.382 3.693 10 0 AHAERO CCCC(CCC)[C@H]([NH2+]C)[C@@H](C)CC ZINC000132820752 573345991 /nfs/dbraw/zinc/34/59/91/573345991.db2.gz SBLYONGJLZDJBA-WCQYABFASA-N 1 0 199.382 3.837 10 0 AHAERO CCCC(CCC)[C@@H]([NH2+]C)[C@@H](C)CC ZINC000132820951 573342272 /nfs/dbraw/zinc/34/22/72/573342272.db2.gz SBLYONGJLZDJBA-AAEUAGOBSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC(CCC)[C@H]([NH2+]C)[C@H](C)CC ZINC000132821150 573342897 /nfs/dbraw/zinc/34/28/97/573342897.db2.gz SBLYONGJLZDJBA-DGCLKSJQSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC(CCC)[C@@H]([NH2+]C)[C@H](C)CC ZINC000132821354 573343987 /nfs/dbraw/zinc/34/39/87/573343987.db2.gz SBLYONGJLZDJBA-YPMHNXCESA-N 1 0 199.382 3.837 10 0 AHAERO CCCCCC[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000132821604 573344456 /nfs/dbraw/zinc/34/44/56/573344456.db2.gz IEGVSMUCGOLPBF-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000132821955 573344004 /nfs/dbraw/zinc/34/40/04/573344004.db2.gz IEGVSMUCGOLPBF-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)[C@H]([NH3+])CCC1CCCCC1 ZINC000132822404 573345945 /nfs/dbraw/zinc/34/59/45/573345945.db2.gz BTZLLACYCWHJTR-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)[C@H]([NH3+])CCC1CCCCC1 ZINC000132822601 573343788 /nfs/dbraw/zinc/34/37/88/573343788.db2.gz BTZLLACYCWHJTR-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)[C@@H]([NH3+])CCC1CCCCC1 ZINC000132822804 573342725 /nfs/dbraw/zinc/34/27/25/573342725.db2.gz BTZLLACYCWHJTR-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)[C@H]([NH2+]C)[C@@H](C)CC ZINC000132858377 573357825 /nfs/dbraw/zinc/35/78/25/573357825.db2.gz YBFOJHFRXFRAAY-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](CC)[C@@H]([NH2+]C)[C@@H](C)CC ZINC000132858773 573355678 /nfs/dbraw/zinc/35/56/78/573355678.db2.gz YBFOJHFRXFRAAY-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)[C@@H](CCC1CCCC1)[NH2+]C ZINC000132892021 573349198 /nfs/dbraw/zinc/34/91/98/573349198.db2.gz RQXHZDVPWAWZDD-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@@H](CCC1CCCC1)[NH2+]C ZINC000132892233 573352140 /nfs/dbraw/zinc/35/21/40/573352140.db2.gz RQXHZDVPWAWZDD-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)[C@H](CCC1CCCC1)[NH2+]C ZINC000132892391 573347879 /nfs/dbraw/zinc/34/78/79/573347879.db2.gz RQXHZDVPWAWZDD-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@H](CCC1CCCC1)[NH2+]C ZINC000132892577 573348407 /nfs/dbraw/zinc/34/84/07/573348407.db2.gz RQXHZDVPWAWZDD-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](CC)C[NH2+]C1CC=CC1 ZINC000132899489 573347904 /nfs/dbraw/zinc/34/79/04/573347904.db2.gz KKYQWKYMFXTVNK-GFCCVEGCSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC[C@H](CC)C[NH2+]C1CC=CC1 ZINC000132899693 573351631 /nfs/dbraw/zinc/35/16/31/573351631.db2.gz KKYQWKYMFXTVNK-LBPRGKRZSA-N 1 0 195.350 3.511 10 0 AHAERO CCCCC[C@@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000132910341 573348104 /nfs/dbraw/zinc/34/81/04/573348104.db2.gz PZXOPJHHRXLJLE-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000132910547 573347406 /nfs/dbraw/zinc/34/74/06/573347406.db2.gz PZXOPJHHRXLJLE-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000132910712 573349396 /nfs/dbraw/zinc/34/93/96/573349396.db2.gz PZXOPJHHRXLJLE-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000132910892 573349631 /nfs/dbraw/zinc/34/96/31/573349631.db2.gz PZXOPJHHRXLJLE-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC(CCC)[C@H]([NH3+])C1=CCCC1 ZINC000132920857 573347431 /nfs/dbraw/zinc/34/74/31/573347431.db2.gz SQBWPHRXJNBTAV-ZDUSSCGKSA-N 1 0 195.350 3.640 10 0 AHAERO CCCC(CCC)[C@@H]([NH3+])C1=CCCC1 ZINC000132921064 573349625 /nfs/dbraw/zinc/34/96/25/573349625.db2.gz SQBWPHRXJNBTAV-CYBMUJFWSA-N 1 0 195.350 3.640 10 0 AHAERO CC[C@@H](C)[C@H]([NH2+]C)C1(CC)CCCC1 ZINC000132921566 573348464 /nfs/dbraw/zinc/34/84/64/573348464.db2.gz YQZFXYYCVUIXBQ-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@H]([NH2+]C)C1(CC)CCCC1 ZINC000132921783 573347589 /nfs/dbraw/zinc/34/75/89/573347589.db2.gz YQZFXYYCVUIXBQ-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)[C@@H]([NH2+]C)C1(CC)CCCC1 ZINC000132921971 573349954 /nfs/dbraw/zinc/34/99/54/573349954.db2.gz YQZFXYYCVUIXBQ-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@@H]([NH2+]C)C1(CC)CCCC1 ZINC000132922177 573348151 /nfs/dbraw/zinc/34/81/51/573348151.db2.gz YQZFXYYCVUIXBQ-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[NH2+]CC(CCC)CCC ZINC000132927921 573351937 /nfs/dbraw/zinc/35/19/37/573351937.db2.gz RVCFUTAWGZFOPK-UHFFFAOYSA-N 1 0 185.355 3.593 10 0 AHAERO CCCC(CCC)C[NH2+]C1CCCC1 ZINC000132928130 573350487 /nfs/dbraw/zinc/35/04/87/573350487.db2.gz DYTBKUWHEVXBRV-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC(CCC)C[NH2+][C@@H](C)CC ZINC000132930293 573355858 /nfs/dbraw/zinc/35/58/58/573355858.db2.gz AKSHIFNFIMTGEV-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCCC(CCC)C[NH2+][C@H](C)CC ZINC000132930494 573356690 /nfs/dbraw/zinc/35/66/90/573356690.db2.gz AKSHIFNFIMTGEV-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC(CCC)[C@H]([NH3+])[C@@H](C)CC ZINC000132950204 573370521 /nfs/dbraw/zinc/37/05/21/573370521.db2.gz BPHTUJGHUOQKFM-CMPLNLGQSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC(CCC)[C@@H]([NH3+])[C@@H](C)CC ZINC000132950398 573366814 /nfs/dbraw/zinc/36/68/14/573366814.db2.gz BPHTUJGHUOQKFM-JQWIXIFHSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC(CCC)[C@H]([NH3+])[C@H](C)CC ZINC000132950562 573371919 /nfs/dbraw/zinc/37/19/19/573371919.db2.gz BPHTUJGHUOQKFM-ZYHUDNBSSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC(CCC)[C@@H]([NH3+])[C@H](C)CC ZINC000132950790 573366763 /nfs/dbraw/zinc/36/67/63/573366763.db2.gz BPHTUJGHUOQKFM-PWSUYJOCSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@H](C)[C@@H](C[C@@H](C)C(C)(C)C)[NH2+]C ZINC000132961985 573357085 /nfs/dbraw/zinc/35/70/85/573357085.db2.gz QNGVTXQKILMXQS-QJPTWQEYSA-N 1 0 199.382 3.693 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000132962722 573357977 /nfs/dbraw/zinc/35/79/77/573357977.db2.gz CDIFAPLVWTZNQY-YPMHNXCESA-N 1 0 191.318 3.513 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000132962936 573358313 /nfs/dbraw/zinc/35/83/13/573358313.db2.gz CDIFAPLVWTZNQY-AAEUAGOBSA-N 1 0 191.318 3.513 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000132963173 573357739 /nfs/dbraw/zinc/35/77/39/573357739.db2.gz CDIFAPLVWTZNQY-DGCLKSJQSA-N 1 0 191.318 3.513 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000132963356 573355682 /nfs/dbraw/zinc/35/56/82/573355682.db2.gz CDIFAPLVWTZNQY-WCQYABFASA-N 1 0 191.318 3.513 10 0 AHAERO CC[C@@H](C)[C@H]([NH3+])CC1CCCCCC1 ZINC000132966557 573354635 /nfs/dbraw/zinc/35/46/35/573354635.db2.gz UTTWVSNUBASPBV-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)[C@H]([NH3+])CC1CCCCCC1 ZINC000132966742 573355089 /nfs/dbraw/zinc/35/50/89/573355089.db2.gz UTTWVSNUBASPBV-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)[C@@H]([NH3+])CC1CCCCCC1 ZINC000132966933 573355537 /nfs/dbraw/zinc/35/55/37/573355537.db2.gz UTTWVSNUBASPBV-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)[C@@H]([NH3+])CC1CCCCCC1 ZINC000132967150 573357115 /nfs/dbraw/zinc/35/71/15/573357115.db2.gz UTTWVSNUBASPBV-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[NH2+][C@@H]([C@H](C)CCC)[C@@H](C)CC ZINC000132979707 573361638 /nfs/dbraw/zinc/36/16/38/573361638.db2.gz BHDRMOPLMPCPIP-YNEHKIRRSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H]([C@@H](C)CC)[C@@H](C)CCC ZINC000132979934 573363005 /nfs/dbraw/zinc/36/30/05/573363005.db2.gz BHDRMOPLMPCPIP-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H]([C@H](C)CC)C1(C)CCCC1 ZINC000132988630 573362709 /nfs/dbraw/zinc/36/27/09/573362709.db2.gz HGMKZNRSWSQBCD-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]([C@@H](C)CC)C1(C)CCCC1 ZINC000132988827 573362241 /nfs/dbraw/zinc/36/22/41/573362241.db2.gz HGMKZNRSWSQBCD-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]([C@H](C)CC)C1(C)CCCC1 ZINC000132989039 573363936 /nfs/dbraw/zinc/36/39/36/573363936.db2.gz HGMKZNRSWSQBCD-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]([C@@H](C)CC)C1(C)CCCC1 ZINC000132989236 573364137 /nfs/dbraw/zinc/36/41/37/573364137.db2.gz HGMKZNRSWSQBCD-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]([C@@H](C)CC)C(C)(C)CC ZINC000132990338 573362197 /nfs/dbraw/zinc/36/21/97/573362197.db2.gz CATUJNJVFPPCFR-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H]([C@@H](C)CC)C(C)(C)CC ZINC000132990523 573363030 /nfs/dbraw/zinc/36/30/30/573363030.db2.gz CATUJNJVFPPCFR-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H]([C@H](C)CC)C(C)(C)CC ZINC000132990729 573363899 /nfs/dbraw/zinc/36/38/99/573363899.db2.gz CATUJNJVFPPCFR-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H]([C@H](C)CC)C(C)(C)CC ZINC000132990903 573361879 /nfs/dbraw/zinc/36/18/79/573361879.db2.gz CATUJNJVFPPCFR-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(C)(CC)[NH2+]C1CCCCCC1 ZINC000133166963 573377422 /nfs/dbraw/zinc/37/74/22/573377422.db2.gz CRCJTWXDFWEDGT-UHFFFAOYSA-N 1 0 197.366 3.878 10 0 AHAERO CCC(C)(CC)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000133168873 573383723 /nfs/dbraw/zinc/38/37/23/573383723.db2.gz YEMYPGIECAYOOK-NWDGAFQWSA-N 1 0 197.366 3.733 10 0 AHAERO CCC(C)(CC)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000133169078 573386087 /nfs/dbraw/zinc/38/60/87/573386087.db2.gz YEMYPGIECAYOOK-RYUDHWBXSA-N 1 0 197.366 3.733 10 0 AHAERO CCC(C)(CC)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000133169281 573386638 /nfs/dbraw/zinc/38/66/38/573386638.db2.gz YEMYPGIECAYOOK-VXGBXAGGSA-N 1 0 197.366 3.733 10 0 AHAERO CCC(C)(CC)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000133169499 573386152 /nfs/dbraw/zinc/38/61/52/573386152.db2.gz YEMYPGIECAYOOK-NEPJUHHUSA-N 1 0 197.366 3.733 10 0 AHAERO CCC(C)(CC)[NH2+]C1CCC(C)CC1 ZINC000133170900 573385139 /nfs/dbraw/zinc/38/51/39/573385139.db2.gz KDQTWRHWJADICB-UHFFFAOYSA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000133324626 573397088 /nfs/dbraw/zinc/39/70/88/573397088.db2.gz YGZBZWQCSVKWGK-TUAOUCFPSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000133324988 573400704 /nfs/dbraw/zinc/40/07/04/573400704.db2.gz YGZBZWQCSVKWGK-QJPTWQEYSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@@H](C)[C@H]([NH3+])C1CCCCCC1 ZINC000133331309 573396027 /nfs/dbraw/zinc/39/60/27/573396027.db2.gz VWLGLILNACCAGU-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])C1CCCCCC1 ZINC000133331466 573396708 /nfs/dbraw/zinc/39/67/08/573396708.db2.gz VWLGLILNACCAGU-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)[C@@H]([NH3+])C1CCCCCC1 ZINC000133331681 573395349 /nfs/dbraw/zinc/39/53/49/573395349.db2.gz VWLGLILNACCAGU-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)[C@H]([NH3+])C1CCCCCC1 ZINC000133337833 343916441 /nfs/dbraw/zinc/91/64/41/343916441.db2.gz BSXZDMATEGCJGR-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)[C@@H]([NH3+])C1CCCCCC1 ZINC000133338012 343916346 /nfs/dbraw/zinc/91/63/46/343916346.db2.gz BSXZDMATEGCJGR-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@@H](C)C(C)(C)C ZINC000133342024 573393557 /nfs/dbraw/zinc/39/35/57/573393557.db2.gz IMUHNYHLGYAOAE-MNOVXSKESA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@H](C)[NH2+][C@@H](C)C(C)(C)C ZINC000133342226 573391154 /nfs/dbraw/zinc/39/11/54/573391154.db2.gz IMUHNYHLGYAOAE-QWRGUYRKSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000133342411 573391929 /nfs/dbraw/zinc/39/19/29/573391929.db2.gz IMUHNYHLGYAOAE-GHMZBOCLSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000133342621 573390799 /nfs/dbraw/zinc/39/07/99/573390799.db2.gz IMUHNYHLGYAOAE-WDEREUQCSA-N 1 0 185.355 3.589 10 0 AHAERO CCC(CC)C[C@H]([NH2+]C)[C@@H](C)C(C)C ZINC000133387812 573398457 /nfs/dbraw/zinc/39/84/57/573398457.db2.gz VJKRFVLHUGABQQ-AAEUAGOBSA-N 1 0 199.382 3.693 10 0 AHAERO CCC(CC)C[C@H]([NH2+]C)[C@H](C)C(C)C ZINC000133388196 573399686 /nfs/dbraw/zinc/39/96/86/573399686.db2.gz VJKRFVLHUGABQQ-YPMHNXCESA-N 1 0 199.382 3.693 10 0 AHAERO CCC(CC)C[C@@H]([NH2+]C)[C@H](C)C(C)C ZINC000133388413 573399823 /nfs/dbraw/zinc/39/98/23/573399823.db2.gz VJKRFVLHUGABQQ-DGCLKSJQSA-N 1 0 199.382 3.693 10 0 AHAERO CCC(CC)C[C@H](C[C@H](C)CC)[NH2+]C ZINC000133391846 573400910 /nfs/dbraw/zinc/40/09/10/573400910.db2.gz PEJSBAGYGWGCKS-YPMHNXCESA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C[C@@H](C[C@H](C)CC)[NH2+]C ZINC000133392270 573399373 /nfs/dbraw/zinc/39/93/73/573399373.db2.gz PEJSBAGYGWGCKS-DGCLKSJQSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C[C@@H](C[C@@H](C)CC)[NH2+]C ZINC000133392478 573397459 /nfs/dbraw/zinc/39/74/59/573397459.db2.gz PEJSBAGYGWGCKS-WCQYABFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)[C@H]([NH3+])CC(CC)CC ZINC000133394778 573400252 /nfs/dbraw/zinc/40/02/52/573400252.db2.gz FJEOCFIGXSMKDW-ZYHUDNBSSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])CC(CC)CC ZINC000133394960 573395455 /nfs/dbraw/zinc/39/54/55/573395455.db2.gz FJEOCFIGXSMKDW-CMPLNLGQSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H](C)[C@@H]([NH3+])CC(CC)CC ZINC000133395162 573396353 /nfs/dbraw/zinc/39/63/53/573396353.db2.gz FJEOCFIGXSMKDW-PWSUYJOCSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)[C@@H]([NH3+])CC(CC)CC ZINC000133395380 573397559 /nfs/dbraw/zinc/39/75/59/573397559.db2.gz FJEOCFIGXSMKDW-JQWIXIFHSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000133410361 573395899 /nfs/dbraw/zinc/39/58/99/573395899.db2.gz UJSBZPATZQMHTE-WDEREUQCSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000133410559 573397471 /nfs/dbraw/zinc/39/74/71/573397471.db2.gz UJSBZPATZQMHTE-QWRGUYRKSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000133410775 573398699 /nfs/dbraw/zinc/39/86/99/573398699.db2.gz UJSBZPATZQMHTE-GHMZBOCLSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000133410981 573394557 /nfs/dbraw/zinc/39/45/57/573394557.db2.gz UJSBZPATZQMHTE-MNOVXSKESA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)C[C@@H]([NH3+])C[C@H](C)CC ZINC000133413511 573396264 /nfs/dbraw/zinc/39/62/64/573396264.db2.gz QXYGYFJOCUIDJJ-PWSUYJOCSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)C[C@@H]([NH3+])C[C@@H](C)CC ZINC000133413675 573398745 /nfs/dbraw/zinc/39/87/45/573398745.db2.gz QXYGYFJOCUIDJJ-JQWIXIFHSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)C[C@H]([NH3+])C[C@H](C)CC ZINC000133413876 573399128 /nfs/dbraw/zinc/39/91/28/573399128.db2.gz QXYGYFJOCUIDJJ-ZYHUDNBSSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)C[C@H]([NH3+])C[C@@H](C)CC ZINC000133414065 573396866 /nfs/dbraw/zinc/39/68/66/573396866.db2.gz QXYGYFJOCUIDJJ-CMPLNLGQSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)C[C@H]([NH2+]C)C(CC)CC ZINC000133415119 573400383 /nfs/dbraw/zinc/40/03/83/573400383.db2.gz OGLWLDGCEODPLW-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C[C@@H]([NH2+]C)C(CC)CC ZINC000133415306 573394667 /nfs/dbraw/zinc/39/46/67/573394667.db2.gz OGLWLDGCEODPLW-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)C[C@H]([NH3+])CC1CCCC1 ZINC000133415493 573394587 /nfs/dbraw/zinc/39/45/87/573394587.db2.gz ZHBNLPOBAYQLQH-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)C[C@H]([NH3+])C(C)(C)CC ZINC000133419205 573399343 /nfs/dbraw/zinc/39/93/43/573399343.db2.gz AGABSVJNQROVQD-NSHDSACASA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)C[C@H]([NH3+])C(CC)CC ZINC000133428101 573395251 /nfs/dbraw/zinc/39/52/51/573395251.db2.gz UZZBQYGHHZSVJF-LBPRGKRZSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)C[C@@H]([NH3+])C(CC)CC ZINC000133428298 573400887 /nfs/dbraw/zinc/40/08/87/573400887.db2.gz UZZBQYGHHZSVJF-GFCCVEGCSA-N 1 0 185.355 3.576 10 0 AHAERO CCCCC[C@@H](CC(CC)CC)[NH2+]C ZINC000133429280 573396782 /nfs/dbraw/zinc/39/67/82/573396782.db2.gz QMCQQBFWYQHQMI-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](CC(CC)CC)[NH2+]C ZINC000133429494 573399071 /nfs/dbraw/zinc/39/90/71/573399071.db2.gz QMCQQBFWYQHQMI-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H]([NH3+])CC(CC)CC ZINC000133429691 573399261 /nfs/dbraw/zinc/39/92/61/573399261.db2.gz BHYJNLUYRXRDOF-LBPRGKRZSA-N 1 0 185.355 3.720 10 0 AHAERO CCC[C@@H](C)[C@@H](CCCC(C)C)[NH2+]C ZINC000133457373 573401476 /nfs/dbraw/zinc/40/14/76/573401476.db2.gz IXBYDUVEESLOBF-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)[C@@H](CCCC(C)C)[NH2+]C ZINC000133457581 573403737 /nfs/dbraw/zinc/40/37/37/573403737.db2.gz IXBYDUVEESLOBF-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)[C@H](CCCC(C)C)[NH2+]C ZINC000133458032 573403225 /nfs/dbraw/zinc/40/32/25/573403225.db2.gz IXBYDUVEESLOBF-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@@H](CCCC(C)C)[C@@H](C)C(C)C ZINC000133488783 573408219 /nfs/dbraw/zinc/40/82/19/573408219.db2.gz REFHQPUPCAFWAJ-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](CCCC(C)C)[C@@H](C)C(C)C ZINC000133488970 573408912 /nfs/dbraw/zinc/40/89/12/573408912.db2.gz REFHQPUPCAFWAJ-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@@H](CCCC(C)C)[C@H](C)C(C)C ZINC000133489152 573408791 /nfs/dbraw/zinc/40/87/91/573408791.db2.gz REFHQPUPCAFWAJ-OLZOCXBDSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](CCCC(C)C)[C@H](C)C(C)C ZINC000133489358 573404809 /nfs/dbraw/zinc/40/48/09/573404809.db2.gz REFHQPUPCAFWAJ-CHWSQXEVSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](C)C[C@@H](CCCC(C)C)[NH2+]C ZINC000133492799 573404556 /nfs/dbraw/zinc/40/45/56/573404556.db2.gz AZUXQYCCPFMMKU-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)C[C@@H](CCCC(C)C)[NH2+]C ZINC000133493013 573409186 /nfs/dbraw/zinc/40/91/86/573409186.db2.gz AZUXQYCCPFMMKU-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)C[C@H](CCCC(C)C)[NH2+]C ZINC000133493183 573405095 /nfs/dbraw/zinc/40/50/95/573405095.db2.gz AZUXQYCCPFMMKU-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)C[C@H](CCCC(C)C)[NH2+]C ZINC000133493416 573407771 /nfs/dbraw/zinc/40/77/71/573407771.db2.gz AZUXQYCCPFMMKU-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])CCCC(C)C ZINC000133495847 573407329 /nfs/dbraw/zinc/40/73/29/573407329.db2.gz QSARIJBFOJJBQW-NWDGAFQWSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H](C)[C@@H]([NH3+])CCCC(C)C ZINC000133496055 573411156 /nfs/dbraw/zinc/41/11/56/573411156.db2.gz QSARIJBFOJJBQW-NEPJUHHUSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)[C@@H]([NH3+])CCCC(C)C ZINC000133496273 573408601 /nfs/dbraw/zinc/40/86/01/573408601.db2.gz QSARIJBFOJJBQW-RYUDHWBXSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@@H](C)C[C@H]([NH3+])CCCC(C)C ZINC000133514401 573407344 /nfs/dbraw/zinc/40/73/44/573407344.db2.gz RZRSZNCZFXFIRM-VXGBXAGGSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])CCCC(C)C ZINC000133514628 573410552 /nfs/dbraw/zinc/41/05/52/573410552.db2.gz RZRSZNCZFXFIRM-NWDGAFQWSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@@H](C)C[C@@H]([NH3+])CCCC(C)C ZINC000133514844 573405573 /nfs/dbraw/zinc/40/55/73/573405573.db2.gz RZRSZNCZFXFIRM-NEPJUHHUSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@H](C)C[C@@H]([NH3+])CCCC(C)C ZINC000133515036 573409285 /nfs/dbraw/zinc/40/92/85/573409285.db2.gz RZRSZNCZFXFIRM-RYUDHWBXSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)[C@@H](CCCC(C)C)[NH2+]C ZINC000133516130 573406622 /nfs/dbraw/zinc/40/66/22/573406622.db2.gz UUKHKYCEBFWJDS-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@H](CCCC(C)C)[NH2+]C ZINC000133516322 573410896 /nfs/dbraw/zinc/41/08/96/573410896.db2.gz UUKHKYCEBFWJDS-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)CCC[C@H]([NH3+])CC1CCCC1 ZINC000133516520 573411087 /nfs/dbraw/zinc/41/10/87/573411087.db2.gz IWYKQDWGZVOICX-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)CCC[C@@H]([NH3+])CC1CCCC1 ZINC000133516745 573406719 /nfs/dbraw/zinc/40/67/19/573406719.db2.gz IWYKQDWGZVOICX-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)[C@H]([NH3+])CCCC(C)C ZINC000133520355 573405216 /nfs/dbraw/zinc/40/52/16/573405216.db2.gz RBXVNHSMPDVSOU-LLVKDONJSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(C)(C)[C@@H]([NH3+])CCCC(C)C ZINC000133520558 573406299 /nfs/dbraw/zinc/40/62/99/573406299.db2.gz RBXVNHSMPDVSOU-NSHDSACASA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)[C@H]([NH3+])CCCC(C)C ZINC000133529267 573415322 /nfs/dbraw/zinc/41/53/22/573415322.db2.gz TZYVTNFGYYOQCH-GFCCVEGCSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(CC)[C@@H]([NH3+])CCCC(C)C ZINC000133529418 573413767 /nfs/dbraw/zinc/41/37/67/573413767.db2.gz TZYVTNFGYYOQCH-LBPRGKRZSA-N 1 0 185.355 3.576 10 0 AHAERO CCCCC[C@@H](CCCC(C)C)[NH2+]C ZINC000133530514 573411905 /nfs/dbraw/zinc/41/19/05/573411905.db2.gz ZHQIJZRFISSONI-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](CCCC(C)C)[NH2+]C ZINC000133530733 573416925 /nfs/dbraw/zinc/41/69/25/573416925.db2.gz ZHQIJZRFISSONI-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H]([NH3+])CCCC(C)C ZINC000133530966 573417177 /nfs/dbraw/zinc/41/71/77/573417177.db2.gz NCOWKZACDJPJID-LBPRGKRZSA-N 1 0 185.355 3.720 10 0 AHAERO CCCCC[C@@H]([NH3+])CCCC(C)C ZINC000133531162 573414067 /nfs/dbraw/zinc/41/40/67/573414067.db2.gz NCOWKZACDJPJID-GFCCVEGCSA-N 1 0 185.355 3.720 10 0 AHAERO C[NH+]1CCCCCCCCCCCC1 ZINC000139462088 571720937 /nfs/dbraw/zinc/72/09/37/571720937.db2.gz JDWNYNSLRJAKMM-UHFFFAOYSA-N 1 0 197.366 3.833 10 0 AHAERO C[N@@H+](C1=CCCCC1)C1CCCCC1 ZINC000139540601 571721071 /nfs/dbraw/zinc/72/10/71/571721071.db2.gz CDOSCEKDPMJOJF-UHFFFAOYSA-N 1 0 193.334 3.709 10 0 AHAERO CC(C)(C)[C@H]1CCC[N@@H+](C(C)(C)C)C1 ZINC000141062946 344003471 /nfs/dbraw/zinc/00/34/71/344003471.db2.gz OKSBQBXTVXSWCV-NSHDSACASA-N 1 0 197.366 3.543 10 0 AHAERO C/C=C\CCCCCCCCC[NH3+] ZINC000142212302 571771198 /nfs/dbraw/zinc/77/11/98/571771198.db2.gz RJXMXXUSURZFLS-IHWYPQMZSA-N 1 0 183.339 3.642 10 0 AHAERO CC(C)(C)[C@@H]1CCC[N@@H+](C(C)(C)C)C1 ZINC000143585117 344020267 /nfs/dbraw/zinc/02/02/67/344020267.db2.gz OKSBQBXTVXSWCV-LLVKDONJSA-N 1 0 197.366 3.543 10 0 AHAERO CCC(C)(C)C[C@@H]([NH3+])C(C)(C)CC ZINC000144137452 571850280 /nfs/dbraw/zinc/85/02/80/571850280.db2.gz LARIYYBNUWDAEQ-SNVBAGLBSA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)(C)[C@@H]1CCCC[N@@H+]1C(C)(C)C ZINC000146172333 344039472 /nfs/dbraw/zinc/03/94/72/344039472.db2.gz HZIPGRNTQUVUAG-NSHDSACASA-N 1 0 197.366 3.686 10 0 AHAERO CC(C)(C)[C@H]1CCCC[N@@H+]1C(C)(C)C ZINC000146172509 344039381 /nfs/dbraw/zinc/03/93/81/344039381.db2.gz HZIPGRNTQUVUAG-LLVKDONJSA-N 1 0 197.366 3.686 10 0 AHAERO CC[NH2+]C[C@H](C[C@@H](C)CC)C(C)(C)C ZINC000162319194 572877985 /nfs/dbraw/zinc/87/79/85/572877985.db2.gz DZZPHSKUDBBQOH-RYUDHWBXSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)C(C)C ZINC000162589388 573358919 /nfs/dbraw/zinc/35/89/19/573358919.db2.gz WCRFOBJCIIJYGG-RYUDHWBXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H]([NH2+][C@H]1CC[C@H](C)C1)C(C)(C)C ZINC000167380176 630849456 /nfs/dbraw/zinc/84/94/56/630849456.db2.gz OBOIHPHQYNMCSG-SRVKXCTJSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]([NH2+]C1CCCCC1)C(C)(C)C ZINC000167385991 538169843 /nfs/dbraw/zinc/16/98/43/538169843.db2.gz XFMYBURBBIZOFQ-LBPRGKRZSA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@@H]([NH2+]C1CCCCC1)C(C)(C)C ZINC000167386098 538169111 /nfs/dbraw/zinc/16/91/11/538169111.db2.gz XFMYBURBBIZOFQ-GFCCVEGCSA-N 1 0 197.366 3.733 10 0 AHAERO C=C[PH+](C=C)Cc1ccccc1 ZINC000167783333 344314645 /nfs/dbraw/zinc/31/46/45/344314645.db2.gz GDTRIUYXNBDSKX-UHFFFAOYSA-N 1 0 176.199 3.956 10 0 AHAERO CCCC[NH+]([C@H](C)CC)[C@H](C)CC ZINC000168584098 572935119 /nfs/dbraw/zinc/93/51/19/572935119.db2.gz JNTNYXOTGLUXPZ-VXGBXAGGSA-N 1 0 185.355 3.686 10 0 AHAERO C[C@H]1CC[C@H](C)[PH+]1[Si](C)(C)C ZINC000196053187 344355407 /nfs/dbraw/zinc/35/54/07/344355407.db2.gz CBULBTPNRQBYJE-IUCAKERBSA-N 1 0 188.327 3.874 10 0 AHAERO C[C@@H]1CC[C@@H](C)[PH+]1[Si](C)(C)C ZINC000196173963 571990856 /nfs/dbraw/zinc/99/08/56/571990856.db2.gz CBULBTPNRQBYJE-RKDXNWHRSA-N 1 0 188.327 3.874 10 0 AHAERO CC[Si](C)(C)[N@H+]1C=CCCCCC1 ZINC000197992566 171218761 /nfs/dbraw/zinc/21/87/61/171218761.db2.gz MDVNQKVFVWMQTO-UHFFFAOYSA-N 1 0 197.398 3.601 10 0 AHAERO CCCCCC[NH2+]CC[C@H](C)CC ZINC000198511229 572786948 /nfs/dbraw/zinc/78/69/48/572786948.db2.gz AHAFJDUDJZEWFH-GFCCVEGCSA-N 1 0 185.355 3.593 10 0 AHAERO C[C@@H]1CC[C@H](C)[P@H+]1C1CCCC1 ZINC000199712493 573093684 /nfs/dbraw/zinc/09/36/84/573093684.db2.gz WRXBGOZPYWMDEO-DHHPTOIESA-N 1 0 184.263 3.982 10 0 AHAERO CCCCC/C=C\CC[NH2+]CCC ZINC000211589093 571929231 /nfs/dbraw/zinc/92/92/31/571929231.db2.gz OHSFEHLMOITVIG-HJWRWDBZSA-N 1 0 183.339 3.513 10 0 AHAERO CCCCC/C=C\CC[NH2+]C(C)C ZINC000211617169 571858900 /nfs/dbraw/zinc/85/89/00/571858900.db2.gz WFVMGEUPXJEZRZ-HJWRWDBZSA-N 1 0 183.339 3.511 10 0 AHAERO CCCC[C@@H](CC)C/C=C\CC[NH2+]C ZINC000211638067 573269521 /nfs/dbraw/zinc/26/95/21/573269521.db2.gz ZUQYFYZQNRDMGI-MEJMFZKBSA-N 1 0 197.366 3.759 10 0 AHAERO CCCC[C@H](CC)C/C=C\CC[NH2+]C ZINC000211638129 573275171 /nfs/dbraw/zinc/27/51/71/573275171.db2.gz ZUQYFYZQNRDMGI-WSROAFLRSA-N 1 0 197.366 3.759 10 0 AHAERO CC/C(=C/C(C)(C)C)C[NH2+]C(C)(C)C ZINC000211667082 573886759 /nfs/dbraw/zinc/88/67/59/573886759.db2.gz OCQSNWLACHXIBK-LUAWRHEFSA-N 1 0 197.366 3.757 10 0 AHAERO CCCCC/C(C)=C\CC[NH2+]CCC ZINC000211706025 571863989 /nfs/dbraw/zinc/86/39/89/571863989.db2.gz AJJMOPBHCVJNOQ-RAXLEYEMSA-N 1 0 197.366 3.903 10 0 AHAERO CC(C)(C)[NH2+]CC/C=C\C1CCCC1 ZINC000211709905 571875008 /nfs/dbraw/zinc/87/50/08/571875008.db2.gz KTXOXFVRQQFWAQ-POHAHGRESA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)(C)[NH2+]CC/C=C\CC1CCC1 ZINC000211710003 571875023 /nfs/dbraw/zinc/87/50/23/571875023.db2.gz IZPYIYCTISCWCT-PLNGDYQASA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)(C)[NH2+]CC/C=C\CCC1CC1 ZINC000211710678 571873780 /nfs/dbraw/zinc/87/37/80/571873780.db2.gz GDPBCTJJKZSEPO-PLNGDYQASA-N 1 0 195.350 3.511 10 0 AHAERO CC[NH2+]CC/C=C(\C)CCC(C)(C)C ZINC000211729123 571967789 /nfs/dbraw/zinc/96/77/89/571967789.db2.gz VFUGEJOOHOZTQP-XYOKQWHBSA-N 1 0 197.366 3.759 10 0 AHAERO CCC[NH2+]C/C(=C/C1CCCC1)CC ZINC000211729687 571970925 /nfs/dbraw/zinc/97/09/25/571970925.db2.gz GQYIGSPMDSBOHC-ZRDIBKRKSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]CC/C=C(\C)CCC(C)C ZINC000211732063 572691650 /nfs/dbraw/zinc/69/16/50/572691650.db2.gz OSKCKAXIMCPBET-NTUHNPAUSA-N 1 0 197.366 3.759 10 0 AHAERO CC/C(=C/C1CCCCCC1)C[NH2+]C ZINC000211736870 573856729 /nfs/dbraw/zinc/85/67/29/573856729.db2.gz JADRITDWGMSSED-BENRWUELSA-N 1 0 195.350 3.513 10 0 AHAERO CC[C@@H](C)C/C(C)=C\CC[NH2+]C(C)C ZINC000211746280 573874855 /nfs/dbraw/zinc/87/48/55/573874855.db2.gz XSZNTFZAJOSSMD-YFBAIUBQSA-N 1 0 197.366 3.757 10 0 AHAERO CC[C@H](C)C/C(C)=C\CC[NH2+]C(C)C ZINC000211746360 573874704 /nfs/dbraw/zinc/87/47/04/573874704.db2.gz XSZNTFZAJOSSMD-OEMOTLHWSA-N 1 0 197.366 3.757 10 0 AHAERO CCCc1ccc([C@@H]([NH3+])CCC)s1 ZINC000211757120 573893744 /nfs/dbraw/zinc/89/37/44/573893744.db2.gz LDJZBYHQWKVHDR-JTQLQIEISA-N 1 0 197.347 3.501 10 0 AHAERO CCCC/C(C)=C\CC[NH2+]C(C)C ZINC000211759148 573891059 /nfs/dbraw/zinc/89/10/59/573891059.db2.gz QHGFVWOIMZRBTQ-XFXZXTDPSA-N 1 0 183.339 3.511 10 0 AHAERO CCCCC/C=C\CC[NH2+]C(C)(C)C ZINC000211761992 573915661 /nfs/dbraw/zinc/91/56/61/573915661.db2.gz QKOKSMRFNZUHPO-KTKRTIGZSA-N 1 0 197.366 3.901 10 0 AHAERO CC[C@@H](C)C/C=C\CC[NH2+]CC(C)C ZINC000211764581 573926307 /nfs/dbraw/zinc/92/63/07/573926307.db2.gz OCFLRZFCQGUSRN-FMFIFOJESA-N 1 0 197.366 3.615 10 0 AHAERO CC[C@H](C)C/C=C\CC[NH2+]CC(C)C ZINC000211764664 573930329 /nfs/dbraw/zinc/93/03/29/573930329.db2.gz OCFLRZFCQGUSRN-FWWRYZNZSA-N 1 0 197.366 3.615 10 0 AHAERO CCC[C@H]([NH3+])[C@@H](CC)C[C@@H](C)CC ZINC000211767009 573927053 /nfs/dbraw/zinc/92/70/53/573927053.db2.gz BJCCMUIELLKCIA-SRVKXCTJSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H]([NH3+])[C@H](CC)C[C@@H](C)CC ZINC000211767163 573930790 /nfs/dbraw/zinc/93/07/90/573930790.db2.gz BJCCMUIELLKCIA-TUAOUCFPSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[NH2+]C/C(=C/C(CC)CC)CC ZINC000211772928 573944749 /nfs/dbraw/zinc/94/47/49/573944749.db2.gz DZUWVPMFRNBZQN-JLHYYAGUSA-N 1 0 197.366 3.759 10 0 AHAERO CCCCc1ccc([C@@H]([NH3+])CC)s1 ZINC000211773438 573942486 /nfs/dbraw/zinc/94/24/86/573942486.db2.gz GDOSVKXCUMIIFG-JTQLQIEISA-N 1 0 197.347 3.501 10 0 AHAERO CC/C(=C\C(CC)CC)C[NH2+]C(C)C ZINC000211774161 573947291 /nfs/dbraw/zinc/94/72/91/573947291.db2.gz MRHUBRILLMKUJD-UKTHLTGXSA-N 1 0 197.366 3.757 10 0 AHAERO CC[C@@H](C)C/C(C)=C\CC[NH2+]C1CC1 ZINC000211775132 573950896 /nfs/dbraw/zinc/95/08/96/573950896.db2.gz FRSXKBZLHVWUSV-MDUDVEDUSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H](C)C/C(C)=C\CC[NH2+]C1CC1 ZINC000211775224 573953184 /nfs/dbraw/zinc/95/31/84/573953184.db2.gz FRSXKBZLHVWUSV-RMCZBGCRSA-N 1 0 195.350 3.511 10 0 AHAERO CC/C(=C\C(CC)CC)C[NH2+]C1CC1 ZINC000211775398 573949155 /nfs/dbraw/zinc/94/91/55/573949155.db2.gz OOUCEXRLGLSGGX-FMIVXFBMSA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)CC/C=C\CC[NH2+]C(C)(C)C ZINC000211776090 573947354 /nfs/dbraw/zinc/94/73/54/573947354.db2.gz RFMNBJJVWIAOMX-SREVYHEPSA-N 1 0 197.366 3.757 10 0 AHAERO CC[NH2+]C/C(=C/C1CCCCC1)CC ZINC000211783355 573967111 /nfs/dbraw/zinc/96/71/11/573967111.db2.gz ZPHUIUDMSGQJGC-ZRDIBKRKSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]CC/C=C(\C)C[C@@H](C)CC ZINC000211797290 573004192 /nfs/dbraw/zinc/00/41/92/573004192.db2.gz DNVBNLOQVOLQHV-OXBCTQFSSA-N 1 0 197.366 3.759 10 0 AHAERO CCC[NH2+]CC/C=C(\C)C[C@H](C)CC ZINC000211797371 573012505 /nfs/dbraw/zinc/01/25/05/573012505.db2.gz DNVBNLOQVOLQHV-FMNNIJNLSA-N 1 0 197.366 3.759 10 0 AHAERO C/C(=C\CC[NH2+]C(C)C)CC1CCC1 ZINC000211798583 573056192 /nfs/dbraw/zinc/05/61/92/573056192.db2.gz KTMIUWVTNTWKQO-WUXMJOGZSA-N 1 0 195.350 3.511 10 0 AHAERO CCCCC/C(C)=C\CC[NH2+]C1CC1 ZINC000211799759 573029681 /nfs/dbraw/zinc/02/96/81/573029681.db2.gz KGYWFTGEIBOXDH-WQLSENKSSA-N 1 0 195.350 3.655 10 0 AHAERO CC[NH2+]CC/C=C(\C)CC1CCCC1 ZINC000211806566 573450921 /nfs/dbraw/zinc/45/09/21/573450921.db2.gz WZCSAQJRWNEMGK-KPKJPENVSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[C@@H](C)C/C(C)=C\CC[NH2+]CC ZINC000211807369 573364291 /nfs/dbraw/zinc/36/42/91/573364291.db2.gz UNMYZIKGOGIPFU-FNWMBBJUSA-N 1 0 197.366 3.759 10 0 AHAERO CCC[C@H](C)C/C(C)=C\CC[NH2+]CC ZINC000211807466 573365847 /nfs/dbraw/zinc/36/58/47/573365847.db2.gz UNMYZIKGOGIPFU-VWLVURMCSA-N 1 0 197.366 3.759 10 0 AHAERO C[NH2+]CC/C=C(\C)CC1CCCCC1 ZINC000211818044 573600201 /nfs/dbraw/zinc/60/02/01/573600201.db2.gz GBVIGILXOMDKHK-KPKJPENVSA-N 1 0 195.350 3.513 10 0 AHAERO CCCC/C(C)=C\CC[NH2+]CCC ZINC000211820010 573623556 /nfs/dbraw/zinc/62/35/56/573623556.db2.gz ATRGOJLZIDGSRO-XFXZXTDPSA-N 1 0 183.339 3.513 10 0 AHAERO C/C(=C\CC[NH2+]C(C)C)CCC1CC1 ZINC000211823117 573700241 /nfs/dbraw/zinc/70/02/41/573700241.db2.gz RGGOSTFORKCWNK-LFYBBSHMSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@@H](C)C/C=C\CC[NH2+]C(C)(C)C ZINC000211838151 573840993 /nfs/dbraw/zinc/84/09/93/573840993.db2.gz JCLMIKAVFPRVCG-QDZRJHCZSA-N 1 0 197.366 3.757 10 0 AHAERO CC[C@H](C)C/C=C\CC[NH2+]C(C)(C)C ZINC000211838245 573860361 /nfs/dbraw/zinc/86/03/61/573860361.db2.gz JCLMIKAVFPRVCG-KRZKBDHCSA-N 1 0 197.366 3.757 10 0 AHAERO CCCCC/C(C)=C\CC[NH2+]CC ZINC000211843929 573930092 /nfs/dbraw/zinc/93/00/92/573930092.db2.gz FRLHMCIGKWNVAX-BENRWUELSA-N 1 0 183.339 3.513 10 0 AHAERO CCCCCC[C@@H](C)[C@H]([NH3+])CCC ZINC000211845877 573946146 /nfs/dbraw/zinc/94/61/46/573946146.db2.gz BBFUMLPTTOKEGT-VXGBXAGGSA-N 1 0 185.355 3.720 10 0 AHAERO CCCCCC[C@@H](C)[C@@H]([NH3+])CCC ZINC000211846017 573949118 /nfs/dbraw/zinc/94/91/18/573949118.db2.gz BBFUMLPTTOKEGT-NEPJUHHUSA-N 1 0 185.355 3.720 10 0 AHAERO CCCCCC[C@H](C)[C@@H]([NH3+])CCC ZINC000211846099 573953303 /nfs/dbraw/zinc/95/33/03/573953303.db2.gz BBFUMLPTTOKEGT-RYUDHWBXSA-N 1 0 185.355 3.720 10 0 AHAERO CCC[C@H]([NH3+])[C@@H]1CCCC[C@@H]1C(C)C ZINC000211846545 573933467 /nfs/dbraw/zinc/93/34/67/573933467.db2.gz UOWZUYFMUOPORL-UPJWGTAASA-N 1 0 197.366 3.576 10 0 AHAERO CCCCC/C(C)=C\CC[NH2+]C(C)C ZINC000211847068 573967057 /nfs/dbraw/zinc/96/70/57/573967057.db2.gz IVMYRCZLHOMCQT-RAXLEYEMSA-N 1 0 197.366 3.901 10 0 AHAERO CCCCCC/C(C)=C\CC[NH2+]C ZINC000211854331 573499606 /nfs/dbraw/zinc/49/96/06/573499606.db2.gz IUKZIMSAPDSXCH-BENRWUELSA-N 1 0 183.339 3.513 10 0 AHAERO CCCCCC/C(C)=C\CC[NH2+]CC ZINC000211855787 573500712 /nfs/dbraw/zinc/50/07/12/573500712.db2.gz MJQYNYLBMPXLFK-QBFSEMIESA-N 1 0 197.366 3.903 10 0 AHAERO CCC[NH2+]CC/C=C(\C)C1CCCC1 ZINC000211857087 573245484 /nfs/dbraw/zinc/24/54/84/573245484.db2.gz QJIOAWVYEIMXPA-KPKJPENVSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]CC/C=C(\C)CC1CCC1 ZINC000211857198 573243703 /nfs/dbraw/zinc/24/37/03/573243703.db2.gz ZOBWJPVVTXOLJB-WUXMJOGZSA-N 1 0 195.350 3.513 10 0 AHAERO CCCCC/C=C\CC[NH2+]CC(C)C ZINC000211862289 573875412 /nfs/dbraw/zinc/87/54/12/573875412.db2.gz FXCKFJRJFKZMLV-HJWRWDBZSA-N 1 0 197.366 3.759 10 0 AHAERO CCC[NH2+]CC/C=C(\C)CCC1CC1 ZINC000211869976 573947756 /nfs/dbraw/zinc/94/77/56/573947756.db2.gz RIBXROYXORKQKJ-LFYBBSHMSA-N 1 0 195.350 3.513 10 0 AHAERO CCCCC[C@@H](C)[C@@H](CCC)[NH2+]C ZINC000211874913 573117850 /nfs/dbraw/zinc/11/78/50/573117850.db2.gz MJUBLLBODZUSHI-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@H](C)[C@@H](CCC)[NH2+]C ZINC000211874993 573109309 /nfs/dbraw/zinc/10/93/09/573109309.db2.gz MJUBLLBODZUSHI-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@@H](C)[C@H](CCC)[NH2+]C ZINC000211875075 573112109 /nfs/dbraw/zinc/11/21/09/573112109.db2.gz MJUBLLBODZUSHI-NEPJUHHUSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[C@H](C)[C@H](CCC)[NH2+]C ZINC000211875141 573110733 /nfs/dbraw/zinc/11/07/33/573110733.db2.gz MJUBLLBODZUSHI-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+]CC/C=C(\C)C1CCCCC1 ZINC000211879485 573119857 /nfs/dbraw/zinc/11/98/57/573119857.db2.gz CTSYICKAPAKPSA-XYOKQWHBSA-N 1 0 195.350 3.513 10 0 AHAERO C/C(=C/CC[NH2+]C(C)C)CCC(C)C ZINC000211883006 573137758 /nfs/dbraw/zinc/13/77/58/573137758.db2.gz LFJGYBKCHIRYBR-QPEQYQDCSA-N 1 0 197.366 3.757 10 0 AHAERO C/C(=C/C1CCCCC1)C[NH2+]C(C)C ZINC000212339755 571681943 /nfs/dbraw/zinc/68/19/43/571681943.db2.gz CWGODRFWVQDPEK-XFXZXTDPSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@@H](CCC)[C@@H](C)C(C)(C)C ZINC000212500186 573162380 /nfs/dbraw/zinc/16/23/80/573162380.db2.gz GEUJCFDHYJMZLY-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CCC)[C@@H](C)C(C)(C)C ZINC000212500251 573162745 /nfs/dbraw/zinc/16/27/45/573162745.db2.gz GEUJCFDHYJMZLY-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](CCC)[C@H](C)C(C)(C)C ZINC000212500313 573159385 /nfs/dbraw/zinc/15/93/85/573159385.db2.gz GEUJCFDHYJMZLY-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CCC)[C@H](C)C(C)(C)C ZINC000212500377 573160059 /nfs/dbraw/zinc/16/00/59/573160059.db2.gz GEUJCFDHYJMZLY-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC(CCC)[C@@H](CCC)[NH2+]CC ZINC000212589991 573402501 /nfs/dbraw/zinc/40/25/01/573402501.db2.gz GAHKLCNWORYVAU-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC(CCC)[C@H](CCC)[NH2+]CC ZINC000212590044 573403409 /nfs/dbraw/zinc/40/34/09/573403409.db2.gz GAHKLCNWORYVAU-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H]([NH2+]CC)[C@@H](C)CCC(C)C ZINC000212819772 571779042 /nfs/dbraw/zinc/77/90/42/571779042.db2.gz JUIINJRWRKSWAE-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H]([NH2+]CC)[C@@H](C)CCC(C)C ZINC000212819833 571778648 /nfs/dbraw/zinc/77/86/48/571778648.db2.gz JUIINJRWRKSWAE-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H]([NH2+]CC)[C@H](C)CCC(C)C ZINC000212819969 571794680 /nfs/dbraw/zinc/79/46/80/571794680.db2.gz JUIINJRWRKSWAE-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@@H](C)[C@@H](CCC)[NH2+]CC ZINC000212820061 571792758 /nfs/dbraw/zinc/79/27/58/571792758.db2.gz NTVIKVOUYPGWQM-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](C)[C@@H](CCC)[NH2+]CC ZINC000212820120 571793777 /nfs/dbraw/zinc/79/37/77/571793777.db2.gz NTVIKVOUYPGWQM-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@@H](C)[C@H](CCC)[NH2+]CC ZINC000212820193 571793590 /nfs/dbraw/zinc/79/35/90/571793590.db2.gz NTVIKVOUYPGWQM-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H](C)[C@H](CCC)[NH2+]CC ZINC000212820261 571793241 /nfs/dbraw/zinc/79/32/41/571793241.db2.gz NTVIKVOUYPGWQM-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCC[NH2+][C@H](CCC)[C@@H](C)[C@@H](C)CC ZINC000212823142 571824373 /nfs/dbraw/zinc/82/43/73/571824373.db2.gz YCYQUSJJZNSKHO-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](CC)[C@@H](CCC)[NH2+]CC ZINC000212842430 571896693 /nfs/dbraw/zinc/89/66/93/571896693.db2.gz RAQSCBNOLYAPQH-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CC)[C@H](CCC)[NH2+]CC ZINC000212842495 571898454 /nfs/dbraw/zinc/89/84/54/571898454.db2.gz RAQSCBNOLYAPQH-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](CC)[C@H](CCC)[NH2+]CC ZINC000212842567 571897928 /nfs/dbraw/zinc/89/79/28/571897928.db2.gz RAQSCBNOLYAPQH-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@@H]1CCC/C(=C/CC[NH3+])CC1 ZINC000212978381 573925450 /nfs/dbraw/zinc/92/54/50/573925450.db2.gz RSEFPZGRDHLMLO-YFBAIUBQSA-N 1 0 195.350 3.642 10 0 AHAERO CCC[C@H]1CCC/C(=C/CC[NH3+])CC1 ZINC000212978441 573925633 /nfs/dbraw/zinc/92/56/33/573925633.db2.gz RSEFPZGRDHLMLO-OEMOTLHWSA-N 1 0 195.350 3.642 10 0 AHAERO C[NH2+]C(C)(C)CCC1CCCCCC1 ZINC000214060798 571709398 /nfs/dbraw/zinc/70/93/98/571709398.db2.gz YSZKTBCRQOJDEP-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)(C)C(CC1([NH3+])CC1)C(C)(C)C ZINC000214061520 571708728 /nfs/dbraw/zinc/70/87/28/571708728.db2.gz GGZNDQSPAWIZLE-UHFFFAOYSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)(C)[NH2+]C(C(C)(C)C)C(C)(C)C ZINC000214194041 572733501 /nfs/dbraw/zinc/73/35/01/572733501.db2.gz XMTCSEFTINODEM-UHFFFAOYSA-N 1 0 199.382 3.835 10 0 AHAERO CCCC[C@H](C=C=CCCC[NH3+])CC ZINC000215339776 573707933 /nfs/dbraw/zinc/70/79/33/573707933.db2.gz KQPUFBOGAGJRQB-AZMWARKLSA-N 1 0 195.350 3.653 10 0 AHAERO CCCC[C@@H](C=C=CCCC[NH3+])CC ZINC000215339822 573706310 /nfs/dbraw/zinc/70/63/10/573706310.db2.gz KQPUFBOGAGJRQB-RLROJCQXSA-N 1 0 195.350 3.653 10 0 AHAERO C[C@H]([NH3+])CC(C)(C)[C@@H]1CCC[C@@H](C)C1 ZINC000218734406 344415752 /nfs/dbraw/zinc/41/57/52/344415752.db2.gz LCPQSDLGYYATQP-GRYCIOLGSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H]([NH3+])CC(C)(C)[C@H]1CCC[C@@H](C)C1 ZINC000218734472 344415700 /nfs/dbraw/zinc/41/57/00/344415700.db2.gz LCPQSDLGYYATQP-WOPDTQHZSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)([NH3+])CC/C=C/C1CCCCC1 ZINC000219523576 571995276 /nfs/dbraw/zinc/99/52/76/571995276.db2.gz JIBOAFJZDMVRCA-UXBLZVDNSA-N 1 0 195.350 3.640 10 0 AHAERO CCC(C)(C)CC[NH2+]C(C)(C)CC ZINC000219964124 573339609 /nfs/dbraw/zinc/33/96/09/573339609.db2.gz NPHNPKYTUNAMIC-UHFFFAOYSA-N 1 0 185.355 3.591 10 0 AHAERO CCC(CC)[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000220562902 571761023 /nfs/dbraw/zinc/76/10/23/571761023.db2.gz SXSSTKBGTLZETQ-MDZLAQPJSA-N 1 0 197.366 3.589 10 0 AHAERO CCCCC[NH2+][C@H]1CC[C@H](C)[C@@H](C)C1 ZINC000220563895 571760280 /nfs/dbraw/zinc/76/02/80/571760280.db2.gz YWTZDZNMEQXIQP-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@]1([NH3+])CC[C@@H](C)[C@@H](C)C1 ZINC000220595581 571769817 /nfs/dbraw/zinc/76/98/17/571769817.db2.gz DMHUMRDIJDKNAF-AGIUHOORSA-N 1 0 197.366 3.720 10 0 AHAERO CCC([NH3+])(CC)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000221140996 344438746 /nfs/dbraw/zinc/43/87/46/344438746.db2.gz KXPSTZIOBJGNEL-GRYCIOLGSA-N 1 0 197.366 3.576 10 0 AHAERO CCC([NH3+])(CC)[C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000221141057 571796902 /nfs/dbraw/zinc/79/69/02/571796902.db2.gz KXPSTZIOBJGNEL-WOPDTQHZSA-N 1 0 197.366 3.576 10 0 AHAERO CCC([NH3+])(CC)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000221141117 344438363 /nfs/dbraw/zinc/43/83/63/344438363.db2.gz KXPSTZIOBJGNEL-SDDRHHMPSA-N 1 0 197.366 3.576 10 0 AHAERO CCC([NH3+])(CC)[C@H]1CC[C@H](C)[C@@H](C)C1 ZINC000221141167 571797009 /nfs/dbraw/zinc/79/70/09/571797009.db2.gz KXPSTZIOBJGNEL-SRVKXCTJSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])CCC[C@@H](C)[C@@H]1C ZINC000221678339 344444980 /nfs/dbraw/zinc/44/49/80/344444980.db2.gz VHRCMSBDUAVJFA-QNWHQSFQSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCC(C)C ZINC000222159970 491040790 /nfs/dbraw/zinc/04/07/90/491040790.db2.gz JDLPZPIEQOMRKQ-YNEHKIRRSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)C(C)(C)C ZINC000223264826 631024698 /nfs/dbraw/zinc/02/46/98/631024698.db2.gz OBOIHPHQYNMCSG-UTUOFQBUSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)C(C)(C)C ZINC000223264924 631025380 /nfs/dbraw/zinc/02/53/80/631025380.db2.gz OBOIHPHQYNMCSG-WOPDTQHZSA-N 1 0 197.366 3.589 10 0 AHAERO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000223459102 573738139 /nfs/dbraw/zinc/73/81/39/573738139.db2.gz LOGRXDCYLWSLRX-UTUOFQBUSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1[C@@](C)([NH3+])C(C)C ZINC000225079289 344476110 /nfs/dbraw/zinc/47/61/10/344476110.db2.gz KFMZXKZWWMFEAX-AGIUHOORSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCCC[C@H]1[C@@](C)([NH3+])C(C)C ZINC000225079379 344476178 /nfs/dbraw/zinc/47/61/78/344476178.db2.gz KFMZXKZWWMFEAX-UPJWGTAASA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@](C)(C[NH2+]C(C)C)CC(C)(C)C ZINC000226122332 573222141 /nfs/dbraw/zinc/22/21/41/573222141.db2.gz DYMHNWIHYDQASI-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@H](C[NH3+])C1CCCCC1 ZINC000226198756 573230159 /nfs/dbraw/zinc/23/01/59/573230159.db2.gz GFRMWCRCNGWCLG-CYBMUJFWSA-N 1 0 197.366 3.722 10 0 AHAERO CC[C@H](C)C[C@@]1([NH3+])CCC[C@@H](C)CC1 ZINC000226496891 344505131 /nfs/dbraw/zinc/50/51/31/344505131.db2.gz VLCPNVHBLKIWNL-YNEHKIRRSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])CCC[C@@H](C)CC1 ZINC000226496903 344505134 /nfs/dbraw/zinc/50/51/34/344505134.db2.gz VLCPNVHBLKIWNL-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]1CCC[C@H]([C@@](C)([NH3+])C(C)C)C1 ZINC000226987980 344518952 /nfs/dbraw/zinc/51/89/52/344518952.db2.gz PYZPASCRUCHMCP-AGIUHOORSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCC[C@@H]([C@@](C)([NH3+])C(C)C)C1 ZINC000226987987 344518908 /nfs/dbraw/zinc/51/89/08/344518908.db2.gz PYZPASCRUCHMCP-UPJWGTAASA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](C)C[C@@H]1CCCC[C@@H]([NH3+])C1 ZINC000227158248 571751704 /nfs/dbraw/zinc/75/17/04/571751704.db2.gz KMEYDIFGOWAFLJ-RWMBFGLXSA-N 1 0 197.366 3.720 10 0 AHAERO CC/C(=C\[C@@H](C)CC)C[NH2+]CC(C)C ZINC000227404370 571829898 /nfs/dbraw/zinc/82/98/98/571829898.db2.gz HQSQSDJUTGFIFO-OXBCTQFSSA-N 1 0 197.366 3.615 10 0 AHAERO CCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000230649821 572185498 /nfs/dbraw/zinc/18/54/98/572185498.db2.gz RRMCASQHKYFRHI-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1C ZINC000230649830 572184266 /nfs/dbraw/zinc/18/42/66/572184266.db2.gz RRMCASQHKYFRHI-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[C@@]1([NH3+])CCC[C@@H](C(C)C)C1 ZINC000231014643 344647254 /nfs/dbraw/zinc/64/72/54/344647254.db2.gz IJKIQTBPRGUASS-OLZOCXBDSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@]1([NH3+])CCC[C@@H](C(C)C)C1 ZINC000231014646 344647347 /nfs/dbraw/zinc/64/73/47/344647347.db2.gz IJKIQTBPRGUASS-CHWSQXEVSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@]1([NH3+])CCC[C@H](C(C)C)C1 ZINC000231014648 344647329 /nfs/dbraw/zinc/64/73/29/344647329.db2.gz IJKIQTBPRGUASS-STQMWFEESA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@]1([NH3+])CCC[C@H](C(C)C)C1 ZINC000231014651 344647351 /nfs/dbraw/zinc/64/73/51/344647351.db2.gz IJKIQTBPRGUASS-QWHCGFSZSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H]([NH3+])[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000231019863 572845633 /nfs/dbraw/zinc/84/56/33/572845633.db2.gz NTIUOWDTSAKAGH-UPJWGTAASA-N 1 0 197.366 3.576 10 0 AHAERO CCCCCC1([C@H](C)[NH2+]CCC)CC1 ZINC000232952257 573203347 /nfs/dbraw/zinc/20/33/47/573203347.db2.gz BKFNMOPJTOCINN-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](C)CC1([C@H](C)[NH2+]CC)CC1 ZINC000233266676 573765399 /nfs/dbraw/zinc/76/53/99/573765399.db2.gz GVIVGFKOIKKFNN-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)/C(C)=C/CC[NH2+]C(C)C ZINC000233273338 573808675 /nfs/dbraw/zinc/80/86/75/573808675.db2.gz VQXQFQWOJASRLV-AUWXEVLLSA-N 1 0 197.366 3.757 10 0 AHAERO CCC[C@@H](C)C1([NH3+])CCC(CC)CC1 ZINC000233273688 573809293 /nfs/dbraw/zinc/80/92/93/573809293.db2.gz IOKUHAMMMQRDDF-PNESKVBLSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](CC)[NH2+]CC1(C)CCCC1 ZINC000233286320 573949396 /nfs/dbraw/zinc/94/93/96/573949396.db2.gz UPEAWOLSGYBFCP-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](C)[C@@H]([NH3+])CCC1CCCC1 ZINC000233288062 573957293 /nfs/dbraw/zinc/95/72/93/573957293.db2.gz VBBRCEWBEGQDMI-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)[C@H]1CCCC[C@@H]([NH2+]C)C1 ZINC000233338948 573172930 /nfs/dbraw/zinc/17/29/30/573172930.db2.gz NKMQUJKGNJEPJC-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@]1(CC(C)C)CCC[NH2+]1 ZINC000233340329 573184409 /nfs/dbraw/zinc/18/44/09/573184409.db2.gz YTVPAZJASHHQIN-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@]1(CC)CCCCC[NH2+]1 ZINC000233340330 573181105 /nfs/dbraw/zinc/18/11/05/573181105.db2.gz CCXMMDPYWMWDGM-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](C)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000233341729 573206763 /nfs/dbraw/zinc/20/67/63/573206763.db2.gz MGRZLYANULMKTN-XQQFMLRXSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@H](C)[C@@H]1CCCC[C@@H]([NH2+]C)C1 ZINC000233341779 573205803 /nfs/dbraw/zinc/20/58/03/573205803.db2.gz NKMQUJKGNJEPJC-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@@]1(CC)CCCCC[NH2+]1 ZINC000233343158 573228774 /nfs/dbraw/zinc/22/87/74/573228774.db2.gz CCXMMDPYWMWDGM-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](C)[C@H](CCC)C[NH2+]C(C)C ZINC000233344839 573243391 /nfs/dbraw/zinc/24/33/91/573243391.db2.gz VSCNMUROTFZKPP-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)[C@@H]([NH2+]CC)C(C)(C)CC ZINC000233350628 573282492 /nfs/dbraw/zinc/28/24/92/573282492.db2.gz ZLJZGEBMTKCOIV-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)[C@@H]([NH3+])C1=CCCCCCC1 ZINC000233976120 571948202 /nfs/dbraw/zinc/94/82/02/571948202.db2.gz GNTHCSMKPSJBOA-DGCLKSJQSA-N 1 0 195.350 3.640 10 0 AHAERO CC[C@H](C)[C@@H]([NH3+])C1=CCCCCCC1 ZINC000233989079 571977212 /nfs/dbraw/zinc/97/72/12/571977212.db2.gz GNTHCSMKPSJBOA-WCQYABFASA-N 1 0 195.350 3.640 10 0 AHAERO C[NH2+][C@@H](C(C)(C)C)C1(C)CCCCC1 ZINC000234401882 572189884 /nfs/dbraw/zinc/18/98/84/572189884.db2.gz URCRMDVJJXNMAQ-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C1=CCCCCCC1)C(C)C ZINC000234403942 572203189 /nfs/dbraw/zinc/20/31/89/572203189.db2.gz CELQQWFZFNQHFD-ZDUSSCGKSA-N 1 0 195.350 3.511 10 0 AHAERO C[NH2+][C@@H](C=C(C)C)C1(C)CCCCC1 ZINC000234427705 572376694 /nfs/dbraw/zinc/37/66/94/572376694.db2.gz AXNXPSSVQJPKGZ-LBPRGKRZSA-N 1 0 195.350 3.511 10 0 AHAERO C[NH2+][C@H](CC(C)C)C1(C)CCCCC1 ZINC000234445441 571729733 /nfs/dbraw/zinc/72/97/33/571729733.db2.gz AQJKOJIAQHATRL-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](CC(C)C)C1(C)CCCCC1 ZINC000234445461 571731508 /nfs/dbraw/zinc/73/15/08/571731508.db2.gz AQJKOJIAQHATRL-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C(C)(C)C)C1(C)CCCCC1 ZINC000234457123 572486586 /nfs/dbraw/zinc/48/65/86/572486586.db2.gz URCRMDVJJXNMAQ-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C=C(C)C)C1(C)CCCCC1 ZINC000234477129 572565893 /nfs/dbraw/zinc/56/58/93/572565893.db2.gz AXNXPSSVQJPKGZ-GFCCVEGCSA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)(C)C1=CCC=C(C(C)(C)C)[NH2+]1 ZINC000238137333 573819856 /nfs/dbraw/zinc/81/98/56/573819856.db2.gz PJPUWTODIDNURU-UHFFFAOYSA-N 1 0 193.334 3.840 10 0 AHAERO CC(C)[NH2+][C@H]1CC[C@@H](C(C)(C)C)CC1 ZINC000238156681 573839261 /nfs/dbraw/zinc/83/92/61/573839261.db2.gz GIWFAODVBQFQCT-HAQNSBGRSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)[NH2+][C@H]1CC[C@H](C(C)(C)C)CC1 ZINC000238156751 573842990 /nfs/dbraw/zinc/84/29/90/573842990.db2.gz GIWFAODVBQFQCT-TXEJJXNPSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)C([NH2+]C1CCCCC1)C(C)C ZINC000238209308 572336877 /nfs/dbraw/zinc/33/68/77/572336877.db2.gz SDEZNQBCDGAQHK-UHFFFAOYSA-N 1 0 197.366 3.589 10 0 AHAERO CCCCCC[C@@H]1CC[C@H](CCC)[NH2+]1 ZINC000238213024 572339130 /nfs/dbraw/zinc/33/91/30/572339130.db2.gz VVAYRMBAVITLJW-QWHCGFSZSA-N 1 0 197.366 3.878 10 0 AHAERO CCC/C=C(/[NH2+]C(C)C)[Si](C)(C)C ZINC000238213305 572338677 /nfs/dbraw/zinc/33/86/77/572338677.db2.gz QKEJVJKBBOUCJI-LUAWRHEFSA-N 1 0 199.414 3.546 10 0 AHAERO CCCCCC[C@@H]1[NH2+]C[C@@H]1CCCC ZINC000238214419 572339423 /nfs/dbraw/zinc/33/94/23/572339423.db2.gz GOJNGIGYKAGWMM-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@@H]1[NH2+]C[C@H]1CCCC ZINC000238214491 572341886 /nfs/dbraw/zinc/34/18/86/572341886.db2.gz GOJNGIGYKAGWMM-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO C=Cc1ccc([C@@H]([NH3+])CCCC)cc1 ZINC000238221884 572372062 /nfs/dbraw/zinc/37/20/62/572372062.db2.gz XQJBVMTZYCFPSA-ZDUSSCGKSA-N 1 0 189.302 3.520 10 0 AHAERO CCCCC(=[NH2+])Nc1ccc(C)cc1 ZINC000238222038 573978851 /nfs/dbraw/zinc/97/88/51/573978851.db2.gz QOLPSYZGMWVWDS-UHFFFAOYSA-N 1 0 190.290 3.574 10 0 AHAERO CCCCC[C@@H]1[NH2+]CC[C@@H]1CCCC ZINC000238222145 573449408 /nfs/dbraw/zinc/44/94/08/573449408.db2.gz LLROVIUELPODIE-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@@H]1[NH2+]CC[C@H]1CCCC ZINC000238222159 572378281 /nfs/dbraw/zinc/37/82/81/572378281.db2.gz LLROVIUELPODIE-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H]1CC[C@@H](CCC)[NH2+]1 ZINC000238226557 572389597 /nfs/dbraw/zinc/38/95/97/572389597.db2.gz VVAYRMBAVITLJW-OLZOCXBDSA-N 1 0 197.366 3.878 10 0 AHAERO CCCCCC[C@H]1CC[C@H](CCC)[NH2+]1 ZINC000238226631 572389712 /nfs/dbraw/zinc/38/97/12/572389712.db2.gz VVAYRMBAVITLJW-STQMWFEESA-N 1 0 197.366 3.878 10 0 AHAERO CCCCCC[C@H]1[NH2+]C[C@@H]1CCCC ZINC000238227716 572391779 /nfs/dbraw/zinc/39/17/79/572391779.db2.gz GOJNGIGYKAGWMM-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H]1[NH2+]C[C@H]1CCCC ZINC000238227778 572390782 /nfs/dbraw/zinc/39/07/82/572390782.db2.gz GOJNGIGYKAGWMM-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CC/C=C(\C)[C@H](CCCC)[NH2+]C(C)C ZINC000238228891 572397041 /nfs/dbraw/zinc/39/70/41/572397041.db2.gz ZDKNGIDVYIUKRV-SRXBQZRASA-N 1 0 197.366 3.900 10 0 AHAERO CCC[NH2+][C@H]1CC[C@@H](C(C)(C)C)CC1 ZINC000238230255 572401940 /nfs/dbraw/zinc/40/19/40/572401940.db2.gz OSYBDEGIMDPOGP-HAQNSBGRSA-N 1 0 197.366 3.591 10 0 AHAERO C/C=C/[C@H](C)C/C=C/C[NH2+]CCCC ZINC000238237100 572415888 /nfs/dbraw/zinc/41/58/88/572415888.db2.gz HNPRFBJKTFOSMC-GFMOJNHISA-N 1 0 195.350 3.535 10 0 AHAERO CC[NH2+][C@@H](C)CC1=C(C)C(C)(C)CC1 ZINC000238237322 572417374 /nfs/dbraw/zinc/41/73/74/572417374.db2.gz DFYLLAXHDFNQDQ-JTQLQIEISA-N 1 0 195.350 3.511 10 0 AHAERO CCCCC1([NH2+]CC)CCCCCC1 ZINC000238238390 572423674 /nfs/dbraw/zinc/42/36/74/572423674.db2.gz ZRHXFDHMLCXDLN-UHFFFAOYSA-N 1 0 197.366 3.879 10 0 AHAERO CCCCC1=CC(C)(C)[NH2+]C(C)(C)C1 ZINC000238240058 574004810 /nfs/dbraw/zinc/00/48/10/574004810.db2.gz KJUPKQQBTQKFPG-UHFFFAOYSA-N 1 0 195.350 3.654 10 0 AHAERO CCCC[C@H]1C[C@@H](C(C)(C)C)CC[NH2+]1 ZINC000238244877 572452445 /nfs/dbraw/zinc/45/24/45/572452445.db2.gz JRXKJNQNXDGPNI-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC(=[NH2+])Nc1ccccc1 ZINC000238247334 572453455 /nfs/dbraw/zinc/45/34/55/572453455.db2.gz HTIJWHDHVKXMFW-UHFFFAOYSA-N 1 0 190.290 3.656 10 0 AHAERO CCC[C@H](C)[NH2+]CCCCCC(C)C ZINC000238255016 572463989 /nfs/dbraw/zinc/46/39/89/572463989.db2.gz JASYRFKPHXDUJT-ZDUSSCGKSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@@H](C)[NH2+]CCCCCC(C)C ZINC000238255365 572456561 /nfs/dbraw/zinc/45/65/61/572456561.db2.gz JASYRFKPHXDUJT-CYBMUJFWSA-N 1 0 199.382 3.981 10 0 AHAERO CC[C@@H](CC1=C(C)C(C)(C)CC1)[NH2+]C ZINC000238259179 572474133 /nfs/dbraw/zinc/47/41/33/572474133.db2.gz FBFXMGQJRGXGDT-LBPRGKRZSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H]([NH3+])c1cc(C)c2ccccc2c1 ZINC000238267086 572490972 /nfs/dbraw/zinc/49/09/72/572490972.db2.gz ILAHDFMBLVATKX-AWEZNQCLSA-N 1 0 199.297 3.558 10 0 AHAERO CC[NH2+][C@H](C)CC1=C(C)C(C)(C)CC1 ZINC000238268464 572494428 /nfs/dbraw/zinc/49/44/28/572494428.db2.gz DFYLLAXHDFNQDQ-SNVBAGLBSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H]([NH3+])c1cc2ccccc2cc1C ZINC000238268760 572494137 /nfs/dbraw/zinc/49/41/37/572494137.db2.gz VNKKEGDJUXKAPI-AWEZNQCLSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@H]([NH3+])c1ccc2c(C)cccc2c1 ZINC000238270242 572495923 /nfs/dbraw/zinc/49/59/23/572495923.db2.gz PCBUHFQUYPVYEI-AWEZNQCLSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@H]([NH3+])c1ccc2cc(C)ccc2c1 ZINC000238270401 572497736 /nfs/dbraw/zinc/49/77/36/572497736.db2.gz HHKAIYLWEDKEHX-AWEZNQCLSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@H]([NH3+])c1ccc2ccc(C)cc2c1 ZINC000238270564 572497204 /nfs/dbraw/zinc/49/72/04/572497204.db2.gz PXHGPYZWCRHEOR-AWEZNQCLSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@H]([NH3+])c1ccc2cccc(C)c2c1 ZINC000238270699 572498225 /nfs/dbraw/zinc/49/82/25/572498225.db2.gz YMIORJLPSKRFEQ-AWEZNQCLSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@@H]([NH3+])c1cc(C)cc2ccccc21 ZINC000238271997 572503478 /nfs/dbraw/zinc/50/34/78/572503478.db2.gz DZYLRHOCZBVZTE-CQSZACIVSA-N 1 0 199.297 3.558 10 0 AHAERO C=C[NH2+]CCC[Si](CC)(CC)CC ZINC000238274581 573059746 /nfs/dbraw/zinc/05/97/46/573059746.db2.gz ZCTGYSKCYVONJO-UHFFFAOYSA-N 1 0 199.414 3.618 10 0 AHAERO CC[C@H](C)[NH2+]CCCCCC(C)C ZINC000238277963 572510539 /nfs/dbraw/zinc/51/05/39/572510539.db2.gz BMLMBKXKRCJTOJ-LBPRGKRZSA-N 1 0 185.355 3.591 10 0 AHAERO CC[C@@H]([NH3+])c1cccc2c(C)cccc21 ZINC000238283403 572519204 /nfs/dbraw/zinc/51/92/04/572519204.db2.gz VURLLPSGQYEWFG-CQSZACIVSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@H]([NH3+])C[C@@H](C)CCCCC(C)C ZINC000238283493 572517679 /nfs/dbraw/zinc/51/76/79/572517679.db2.gz OFCMCSBLCWHJBG-STQMWFEESA-N 1 0 199.382 3.966 10 0 AHAERO CC[C@@H]([NH3+])c1cccc2cc(C)ccc21 ZINC000238283531 572516615 /nfs/dbraw/zinc/51/66/15/572516615.db2.gz NDSPHGOLSDPBCJ-CQSZACIVSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@@H]([NH3+])c1cc(C)c2ccccc2c1 ZINC000238288149 572521798 /nfs/dbraw/zinc/52/17/98/572521798.db2.gz ILAHDFMBLVATKX-CQSZACIVSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@@H]([NH3+])c1cc2ccccc2cc1C ZINC000238289082 572527087 /nfs/dbraw/zinc/52/70/87/572527087.db2.gz VNKKEGDJUXKAPI-CQSZACIVSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@@H]([NH3+])C[C@@H](C)CCCCC(C)C ZINC000238290145 572533309 /nfs/dbraw/zinc/53/33/09/572533309.db2.gz OFCMCSBLCWHJBG-QWHCGFSZSA-N 1 0 199.382 3.966 10 0 AHAERO CC[C@@H]([NH3+])c1ccc2c(C)cccc2c1 ZINC000238290269 572533283 /nfs/dbraw/zinc/53/32/83/572533283.db2.gz PCBUHFQUYPVYEI-CQSZACIVSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@@H]([NH3+])C[C@H](C)CCCCC(C)C ZINC000238290316 572531723 /nfs/dbraw/zinc/53/17/23/572531723.db2.gz OFCMCSBLCWHJBG-CHWSQXEVSA-N 1 0 199.382 3.966 10 0 AHAERO CC[C@@H]([NH3+])c1ccc2cc(C)ccc2c1 ZINC000238290355 572531793 /nfs/dbraw/zinc/53/17/93/572531793.db2.gz HHKAIYLWEDKEHX-CQSZACIVSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@@H]([NH3+])c1ccc2ccc(C)cc2c1 ZINC000238290463 572531716 /nfs/dbraw/zinc/53/17/16/572531716.db2.gz PXHGPYZWCRHEOR-CQSZACIVSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@@H]([NH3+])c1ccc2cccc(C)c2c1 ZINC000238290549 572532384 /nfs/dbraw/zinc/53/23/84/572532384.db2.gz YMIORJLPSKRFEQ-CQSZACIVSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@@H]([NH3+])c1ccc2ccccc2c1C ZINC000238290648 572533421 /nfs/dbraw/zinc/53/34/21/572533421.db2.gz UMEFWUOJFRTYQS-CQSZACIVSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@@H](C)[NH2+]CCCCCC(C)C ZINC000238293745 572535359 /nfs/dbraw/zinc/53/53/59/572535359.db2.gz BMLMBKXKRCJTOJ-GFCCVEGCSA-N 1 0 185.355 3.591 10 0 AHAERO CC[C@H](CC1=C(C)C(C)(C)CC1)[NH2+]C ZINC000238296563 572535194 /nfs/dbraw/zinc/53/51/94/572535194.db2.gz FBFXMGQJRGXGDT-GFCCVEGCSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H]([NH3+])c1cc(C)cc2ccccc21 ZINC000238311404 572552039 /nfs/dbraw/zinc/55/20/39/572552039.db2.gz DZYLRHOCZBVZTE-AWEZNQCLSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@H]([NH3+])c1cccc2c(C)cccc21 ZINC000238318377 572558192 /nfs/dbraw/zinc/55/81/92/572558192.db2.gz VURLLPSGQYEWFG-AWEZNQCLSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@H]([NH3+])c1cccc2cc(C)ccc21 ZINC000238318449 573715040 /nfs/dbraw/zinc/71/50/40/573715040.db2.gz NDSPHGOLSDPBCJ-AWEZNQCLSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@H]([NH3+])c1cccc2ccc(C)cc21 ZINC000238318517 572556910 /nfs/dbraw/zinc/55/69/10/572556910.db2.gz BAJMVEPEBPCJGE-AWEZNQCLSA-N 1 0 199.297 3.558 10 0 AHAERO CC[C@H]([NH3+])c1cccc2cccc(C)c21 ZINC000238318569 572556892 /nfs/dbraw/zinc/55/68/92/572556892.db2.gz BZWSJQRSRRKQRF-ZDUSSCGKSA-N 1 0 199.297 3.558 10 0 AHAERO CC(C)=CCC/C(C)=C\C[C@@H](C)C[NH3+] ZINC000238400723 572671400 /nfs/dbraw/zinc/67/14/00/572671400.db2.gz QUWGRMISWIEREU-LLBKUYECSA-N 1 0 195.350 3.664 10 0 AHAERO C[C@H]([NH3+])CC[C@@H]1[C@@H](C)CCCC1(C)C ZINC000238413971 573480784 /nfs/dbraw/zinc/48/07/84/573480784.db2.gz BHFXQXMMQGJHLP-SDDRHHMPSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H]([NH3+])CC[C@H]1[C@@H](C)CCCC1(C)C ZINC000238414231 573479387 /nfs/dbraw/zinc/47/93/87/573479387.db2.gz BHFXQXMMQGJHLP-SRVKXCTJSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)=CCC[C@H](C)CCC[C@@H](C)[NH3+] ZINC000238415921 572694638 /nfs/dbraw/zinc/69/46/38/572694638.db2.gz NCBIMZFPJNZTBO-QWHCGFSZSA-N 1 0 197.366 3.886 10 0 AHAERO CC(C)=CCC[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000238416063 572694077 /nfs/dbraw/zinc/69/40/77/572694077.db2.gz NCBIMZFPJNZTBO-CHWSQXEVSA-N 1 0 197.366 3.886 10 0 AHAERO C[C@@H]([NH3+])CC[C@H]1[C@@H](C)CCCC1(C)C ZINC000238417418 573501641 /nfs/dbraw/zinc/50/16/41/573501641.db2.gz BHFXQXMMQGJHLP-TUAOUCFPSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H](C=C1CCCCC1)[NH2+]C(C)(C)C ZINC000238430291 573530699 /nfs/dbraw/zinc/53/06/99/573530699.db2.gz XNCUCNYYGYBZRC-NSHDSACASA-N 1 0 195.350 3.654 10 0 AHAERO C[C@H](C=C1CCCCC1)[NH2+]C(C)(C)C ZINC000238441597 573585897 /nfs/dbraw/zinc/58/58/97/573585897.db2.gz XNCUCNYYGYBZRC-LLVKDONJSA-N 1 0 195.350 3.654 10 0 AHAERO C[C@@H]1CCCC=C1[NH2+]C1CCCCC1 ZINC000238447860 573608844 /nfs/dbraw/zinc/60/88/44/573608844.db2.gz ZWFIRMOTHLJMMQ-LLVKDONJSA-N 1 0 193.334 3.613 10 0 AHAERO C=Cc1ccc([C@H]([NH3+])CCCC)cc1 ZINC000238793401 573187198 /nfs/dbraw/zinc/18/71/98/573187198.db2.gz XQJBVMTZYCFPSA-CYBMUJFWSA-N 1 0 189.302 3.520 10 0 AHAERO CC/C=C(\C)[C@@H](CCCC)[NH2+]C(C)C ZINC000238793937 573204516 /nfs/dbraw/zinc/20/45/16/573204516.db2.gz ZDKNGIDVYIUKRV-CNELAYHGSA-N 1 0 197.366 3.900 10 0 AHAERO CCC/C=C/[C@@H]1CC[C@@H](CCCC)[NH2+]1 ZINC000238795000 572408714 /nfs/dbraw/zinc/40/87/14/572408714.db2.gz DUFVIQPPGGVZMS-SKFMMRCFSA-N 1 0 195.350 3.654 10 0 AHAERO CCCC[C@@H]1C[C@@H](C(C)(C)C)CC[NH2+]1 ZINC000238795101 572410933 /nfs/dbraw/zinc/41/09/33/572410933.db2.gz JRXKJNQNXDGPNI-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1C[C@H](C(C)(C)C)CC[NH2+]1 ZINC000238795179 572410217 /nfs/dbraw/zinc/41/02/17/572410217.db2.gz JRXKJNQNXDGPNI-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000249780840 571794236 /nfs/dbraw/zinc/79/42/36/571794236.db2.gz FOWCYLAWJLYVJD-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000249780843 571794817 /nfs/dbraw/zinc/79/48/17/571794817.db2.gz FOWCYLAWJLYVJD-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H]1CC[C@H]([C@H](C)[NH3+])CC1 ZINC000249790988 572182519 /nfs/dbraw/zinc/18/25/19/572182519.db2.gz JSYQYMNSKMSMQW-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@H]1CC[C@H]([C@@H](C)[NH3+])CC1 ZINC000249790990 572181445 /nfs/dbraw/zinc/18/14/45/572181445.db2.gz JSYQYMNSKMSMQW-JHJVBQTASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[NH2+][C@H](C)[C@H](CC)C[C@H](C)CC ZINC000250554882 571800049 /nfs/dbraw/zinc/80/00/49/571800049.db2.gz UNIGYJRLQSHXFA-JHJVBQTASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)[C@@H](CC)C[C@H](C)CC ZINC000250554884 571800990 /nfs/dbraw/zinc/80/09/90/571800990.db2.gz UNIGYJRLQSHXFA-UPJWGTAASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@H]1C[C@H](C)CC ZINC000250728328 571797802 /nfs/dbraw/zinc/79/78/02/571797802.db2.gz BJWNVEQAQQJDJI-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@@H]1C[C@H](C)CC ZINC000250728332 571799142 /nfs/dbraw/zinc/79/91/42/571799142.db2.gz BJWNVEQAQQJDJI-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@H]1CC ZINC000250740560 571801616 /nfs/dbraw/zinc/80/16/16/571801616.db2.gz CVIPGOFCMFIWOI-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C ZINC000250830538 571806587 /nfs/dbraw/zinc/80/65/87/571806587.db2.gz QWXSAFWDWYZAKP-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C ZINC000250830539 571806547 /nfs/dbraw/zinc/80/65/47/571806547.db2.gz QWXSAFWDWYZAKP-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1C[C@H](CC)CC[C@H]1[NH2+]CC ZINC000251107515 571799144 /nfs/dbraw/zinc/79/91/44/571799144.db2.gz FODHEOSIBQOLEE-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1C[C@@H](CC)CC[C@H]1[NH2+]CC ZINC000251107516 571799393 /nfs/dbraw/zinc/79/93/93/571799393.db2.gz FODHEOSIBQOLEE-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](CC)[NH2+][C@H](C)[C@H](C)CC ZINC000251131635 571804105 /nfs/dbraw/zinc/80/41/05/571804105.db2.gz JUKCLOQODQWLBV-UTUOFQBUSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@H](CC)[NH2+][C@@H](C)[C@H](C)CC ZINC000251131639 571805579 /nfs/dbraw/zinc/80/55/79/571805579.db2.gz JUKCLOQODQWLBV-WOPDTQHZSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CCC ZINC000251220563 571809410 /nfs/dbraw/zinc/80/94/10/571809410.db2.gz YOKLRPGUTBSVGT-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1CCC ZINC000251220569 571810276 /nfs/dbraw/zinc/81/02/76/571810276.db2.gz YOKLRPGUTBSVGT-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@@](C)([NH3+])[C@H](C)CC ZINC000251241546 571808303 /nfs/dbraw/zinc/80/83/03/571808303.db2.gz AQAIDJRODRQHLY-QJPTWQEYSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)C[C@](C)([NH3+])[C@H](C)CC ZINC000251241549 571810160 /nfs/dbraw/zinc/81/01/60/571810160.db2.gz AQAIDJRODRQHLY-TUAOUCFPSA-N 1 0 185.355 3.576 10 0 AHAERO CCC(C)(C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251257538 344850620 /nfs/dbraw/zinc/85/06/20/344850620.db2.gz KWJBLZGWFZBILW-GDNZZTSVSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)C[C@@H](C(C)C)[C@H](C)[NH2+]C ZINC000251257811 571810466 /nfs/dbraw/zinc/81/04/66/571810466.db2.gz CLTAKCMLNCZNCD-AVGNSLFASA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@H](C)C[C@H](C(C)C)[C@H](C)[NH2+]C ZINC000251257815 571809120 /nfs/dbraw/zinc/80/91/20/571809120.db2.gz CLTAKCMLNCZNCD-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@H](C)C[C@@H]1CCC[C@H]1[NH2+]CC ZINC000251258951 571809260 /nfs/dbraw/zinc/80/92/60/571809260.db2.gz COFPDJZNLRQGBF-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@H]1CCC[C@H]1[NH2+]CC ZINC000251258956 571809353 /nfs/dbraw/zinc/80/93/53/571809353.db2.gz COFPDJZNLRQGBF-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@@H]1C[C@H](C)CC[C@H]1[NH3+] ZINC000251269597 571809382 /nfs/dbraw/zinc/80/93/82/571809382.db2.gz DWRPVVXFXBBVBO-UMSGYPCISA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](C)C[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] ZINC000251269600 571810910 /nfs/dbraw/zinc/81/09/10/571810910.db2.gz DWRPVVXFXBBVBO-WUHRBBMRSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H]([NH3+])C[C@H]1CCC[C@@H](C(C)(C)C)C1 ZINC000251273645 572557424 /nfs/dbraw/zinc/55/74/24/572557424.db2.gz YCSRDSYAVUMMLK-QJPTWQEYSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H]([NH3+])C[C@@H]1CCC[C@@H](C(C)(C)C)C1 ZINC000251273648 572559509 /nfs/dbraw/zinc/55/95/09/572559509.db2.gz YCSRDSYAVUMMLK-SDDRHHMPSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@H](CC)C[C@@H]1CCC[C@H]1[NH3+] ZINC000251281907 571811527 /nfs/dbraw/zinc/81/15/27/571811527.db2.gz FEUUSZZIIZKYCC-RWMBFGLXSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@@H]1CCCCC[C@H]1[NH3+] ZINC000251290216 571817381 /nfs/dbraw/zinc/81/73/81/571817381.db2.gz HLFPNIXCQBJKGP-RWMBFGLXSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@H]1CCCCC[C@H]1[NH3+] ZINC000251290218 571815116 /nfs/dbraw/zinc/81/51/16/571815116.db2.gz HLFPNIXCQBJKGP-YNEHKIRRSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC ZINC000251303818 571816733 /nfs/dbraw/zinc/81/67/33/571816733.db2.gz HXRQCNIDDJCAPJ-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC ZINC000251303821 571814259 /nfs/dbraw/zinc/81/42/59/571814259.db2.gz HXRQCNIDDJCAPJ-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](CC)C[C@H](C)[C@H](C)[NH2+]C ZINC000251304601 571814051 /nfs/dbraw/zinc/81/40/51/571814051.db2.gz IBCQCQMWJDRXPD-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CC)[C@H]1C ZINC000251308109 572203856 /nfs/dbraw/zinc/20/38/56/572203856.db2.gz JZFIZKMGLDOSNR-QNWHQSFQSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](CC)[C@H]1C ZINC000251308114 572204767 /nfs/dbraw/zinc/20/47/67/572204767.db2.gz JZFIZKMGLDOSNR-UMSGYPCISA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@H](CC)C[C@@H](C)[C@H](C)[NH3+] ZINC000251323406 571814328 /nfs/dbraw/zinc/81/43/28/571814328.db2.gz KIJVHURIXAVPLS-WOPDTQHZSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)C[C@@H]1CCCC[C@H]1[NH2+]C ZINC000251327802 571814351 /nfs/dbraw/zinc/81/43/51/571814351.db2.gz MWIQMRDMQCJKNB-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@H]1CCCC[C@H]1[NH2+]C ZINC000251327806 571817324 /nfs/dbraw/zinc/81/73/24/571817324.db2.gz MWIQMRDMQCJKNB-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@H](C)[C@H](CC)[NH2+]CC ZINC000251336029 572224507 /nfs/dbraw/zinc/22/45/07/572224507.db2.gz OBMPMWWGPJCIBF-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)[NH2+][C@@H](CC)C[C@H](C)CC ZINC000251343913 571813407 /nfs/dbraw/zinc/81/34/07/571813407.db2.gz PHYLRYFTHWMZQP-AGIUHOORSA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@H](C)[NH2+][C@H](CC)C[C@H](C)CC ZINC000251343914 571814262 /nfs/dbraw/zinc/81/42/62/571814262.db2.gz PHYLRYFTHWMZQP-FRRDWIJNSA-N 1 0 199.382 3.979 10 0 AHAERO CCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1[NH3+] ZINC000251347378 571814659 /nfs/dbraw/zinc/81/46/59/571814659.db2.gz NEAUKFPERJBLLN-JHJVBQTASA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1[NH3+] ZINC000251347382 571815038 /nfs/dbraw/zinc/81/50/38/571815038.db2.gz NEAUKFPERJBLLN-YNEHKIRRSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H]1CCC[C@H]([C@H](C)[NH2+]C)CC1 ZINC000251352382 572569695 /nfs/dbraw/zinc/56/96/95/572569695.db2.gz NZPWKYCDFMIHPF-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1CCC[C@@H]([C@H](C)[NH2+]C)CC1 ZINC000251352384 572567660 /nfs/dbraw/zinc/56/76/60/572567660.db2.gz NZPWKYCDFMIHPF-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[NH2+][C@@H](C)[C@H](C)CC ZINC000251357383 571816629 /nfs/dbraw/zinc/81/66/29/571816629.db2.gz OURNOVGGINZXLZ-WOPDTQHZSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000251370574 571817188 /nfs/dbraw/zinc/81/71/88/571817188.db2.gz ULLQURZFFPFKAU-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000251370576 571815653 /nfs/dbraw/zinc/81/56/53/571815653.db2.gz ULLQURZFFPFKAU-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1C[C@H](CC)CC[C@H]1[NH2+]C ZINC000251381884 571815538 /nfs/dbraw/zinc/81/55/38/571815538.db2.gz RTDZVUQKEFNCRI-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]1C[C@@H](CC)CC[C@H]1[NH2+]C ZINC000251381886 571817284 /nfs/dbraw/zinc/81/72/84/571817284.db2.gz RTDZVUQKEFNCRI-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](CC)C[C@@H]1CC[C@H]1C[NH3+] ZINC000251385891 571777723 /nfs/dbraw/zinc/77/77/23/571777723.db2.gz SKPQLLPGMOEUFL-AVGNSLFASA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@H](CC)C[C@H]1CC[C@H]1C[NH3+] ZINC000251385895 571776756 /nfs/dbraw/zinc/77/67/56/571776756.db2.gz SKPQLLPGMOEUFL-XQQFMLRXSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C ZINC000251391923 571816906 /nfs/dbraw/zinc/81/69/06/571816906.db2.gz YENPZFLKWJAALL-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000251391925 571817331 /nfs/dbraw/zinc/81/73/31/571817331.db2.gz YENPZFLKWJAALL-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@@]1([NH3+])CCCC[C@H]1C ZINC000251393505 571817610 /nfs/dbraw/zinc/81/76/10/571817610.db2.gz YMTKEBQUBTVCGH-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@]1([NH3+])CCCC[C@H]1C ZINC000251393507 571817487 /nfs/dbraw/zinc/81/74/87/571817487.db2.gz YMTKEBQUBTVCGH-YNEHKIRRSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)C[C@H](CC)[C@H](C)[NH2+]CC ZINC000251396110 571813555 /nfs/dbraw/zinc/81/35/55/571813555.db2.gz YYTMRDMYUZMOSF-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)C[C@@H](CC)[C@H](C)[NH2+]CC ZINC000251396114 571815068 /nfs/dbraw/zinc/81/50/68/571815068.db2.gz YYTMRDMYUZMOSF-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)CC[C@H]([NH3+])[C@H]1CCC[C@H](C)C1 ZINC000251769639 571818038 /nfs/dbraw/zinc/81/80/38/571818038.db2.gz KOZWKPKEJLHCHQ-AVGNSLFASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@H]([NH3+])[C@@H]1CCC[C@H](C)C1 ZINC000251769642 571820546 /nfs/dbraw/zinc/82/05/46/571820546.db2.gz KOZWKPKEJLHCHQ-XQQFMLRXSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H]([NH3+])CC(C)(C)[C@@H]1CCC[C@H](C)C1 ZINC000251780006 344872647 /nfs/dbraw/zinc/87/26/47/344872647.db2.gz LCPQSDLGYYATQP-SDDRHHMPSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H]([NH3+])CC(C)(C)[C@H]1CCC[C@H](C)C1 ZINC000251780010 344872875 /nfs/dbraw/zinc/87/28/75/344872875.db2.gz LCPQSDLGYYATQP-SRVKXCTJSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C(C)C)C1 ZINC000251905696 538265243 /nfs/dbraw/zinc/26/52/43/538265243.db2.gz XGRUAFMPUPQSJR-JHJVBQTASA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C(C)C)C1 ZINC000251905699 538265175 /nfs/dbraw/zinc/26/51/75/538265175.db2.gz XGRUAFMPUPQSJR-UPJWGTAASA-N 1 0 197.366 3.589 10 0 AHAERO CC[NH2+][C@@H]1CCCC[C@H]1C[C@H](C)CC ZINC000251940479 571826596 /nfs/dbraw/zinc/82/65/96/571826596.db2.gz SJXSVMTWBBZSIB-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CCCC[C@@H]1C[C@H](C)CC ZINC000251940482 571825624 /nfs/dbraw/zinc/82/56/24/571825624.db2.gz SJXSVMTWBBZSIB-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC1(C)C ZINC000251941109 571825947 /nfs/dbraw/zinc/82/59/47/571825947.db2.gz SMLKXGCONIGQRR-SRVKXCTJSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC1(C)C ZINC000251941113 571824595 /nfs/dbraw/zinc/82/45/95/571824595.db2.gz SMLKXGCONIGQRR-TUAOUCFPSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)C[C@@H]1CCCCC[C@H]1[NH2+]C ZINC000251955145 571827233 /nfs/dbraw/zinc/82/72/33/571827233.db2.gz UZLMRUPCSRKPDB-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@H]1CCCCC[C@H]1[NH2+]C ZINC000251955148 571827734 /nfs/dbraw/zinc/82/77/34/571827734.db2.gz UZLMRUPCSRKPDB-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])CCC[C@@H](C)[C@H]1C ZINC000251957624 344882855 /nfs/dbraw/zinc/88/28/55/344882855.db2.gz VHRCMSBDUAVJFA-UMSGYPCISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@]1([NH3+])CCC[C@H](C)[C@H]1C ZINC000251957626 344882803 /nfs/dbraw/zinc/88/28/03/344882803.db2.gz VHRCMSBDUAVJFA-WUHRBBMRSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])[C@H]1CCC[C@H](C)C1 ZINC000252024643 571827291 /nfs/dbraw/zinc/82/72/91/571827291.db2.gz XZXVYRSCSXAGLP-CYDGBPFRSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])[C@H]1CCC[C@@H](C)C1 ZINC000252024644 571827997 /nfs/dbraw/zinc/82/79/97/571827997.db2.gz XZXVYRSCSXAGLP-RNJOBUHISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CCC(C)C ZINC000252368281 571830127 /nfs/dbraw/zinc/83/01/27/571830127.db2.gz MGILHYQNIKBUNK-YNEHKIRRSA-N 1 0 199.382 3.835 10 0 AHAERO CCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CC ZINC000252412300 571830764 /nfs/dbraw/zinc/83/07/64/571830764.db2.gz NXEXYKMKEKBAIW-XQQFMLRXSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CC ZINC000252412378 571831119 /nfs/dbraw/zinc/83/11/19/571831119.db2.gz NXEXYKMKEKBAIW-YNEHKIRRSA-N 1 0 197.366 3.733 10 0 AHAERO CCCCC[C@H](C)[NH2+][C@H](C)[C@H](C)CC ZINC000252412863 571833413 /nfs/dbraw/zinc/83/34/13/571833413.db2.gz OOUAPPOYQTZHRV-FRRDWIJNSA-N 1 0 199.382 3.979 10 0 AHAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)C(C)C ZINC000252413066 571831876 /nfs/dbraw/zinc/83/18/76/571831876.db2.gz NKSVGDXJTXQYTR-XQQFMLRXSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)C(C)C ZINC000252413067 571829927 /nfs/dbraw/zinc/82/99/27/571829927.db2.gz NKSVGDXJTXQYTR-YNEHKIRRSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)C1CC1 ZINC000252446761 538269430 /nfs/dbraw/zinc/26/94/30/538269430.db2.gz ARGASPLHBNVECX-DMDPSCGWSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)C1CC1 ZINC000252446762 538269111 /nfs/dbraw/zinc/26/91/11/538269111.db2.gz ARGASPLHBNVECX-LOWVWBTDSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C)C(C)(C)C ZINC000252712272 572676142 /nfs/dbraw/zinc/67/61/42/572676142.db2.gz LZKGXNVOGGBSCI-UTUOFQBUSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]([NH2+][C@H]1CCC[C@H]1C)C(C)(C)C ZINC000252712273 572677730 /nfs/dbraw/zinc/67/77/30/572677730.db2.gz LZKGXNVOGGBSCI-WOPDTQHZSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)C[C@H]([NH3+])C[C@H](C)CC ZINC000253037679 573348521 /nfs/dbraw/zinc/34/85/21/573348521.db2.gz IVRWAWAVQYVKCR-GRYCIOLGSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH3+])C[C@H](C)CC ZINC000253037681 573347595 /nfs/dbraw/zinc/34/75/95/573347595.db2.gz IVRWAWAVQYVKCR-WOPDTQHZSA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)CC[C@@]1(C(C)C)CCCC[NH2+]1 ZINC000258037506 573469275 /nfs/dbraw/zinc/46/92/75/573469275.db2.gz PRNKVSJMBRQCTQ-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[C@]1(C(C)C)CCCC[NH2+]1 ZINC000258037509 573469786 /nfs/dbraw/zinc/46/97/86/573469786.db2.gz PRNKVSJMBRQCTQ-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[C@]1(CC(C)(C)C)CCCC[NH2+]1 ZINC000258273773 573272246 /nfs/dbraw/zinc/27/22/46/573272246.db2.gz SBSQDHXYTDHLPY-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[C@@]1(CC(C)(C)C)CCCC[NH2+]1 ZINC000258273776 573271872 /nfs/dbraw/zinc/27/18/72/573271872.db2.gz SBSQDHXYTDHLPY-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)CC)C1 ZINC000300037256 571882855 /nfs/dbraw/zinc/88/28/55/571882855.db2.gz LSRQXEOVUOOHGN-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CCC[C@H]([NH3+])[C@H]1CCC[C@H]1C ZINC000300231862 572013393 /nfs/dbraw/zinc/01/33/93/572013393.db2.gz DXJLTKYBYFYPDG-AGIUHOORSA-N 1 0 197.366 3.576 10 0 AHAERO CCCCC[C@H]([NH2+]C)[C@H]1CCC[C@H]1C ZINC000300232342 572015820 /nfs/dbraw/zinc/01/58/20/572015820.db2.gz GXZPCXXJHWXBFT-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCC[C@H]([NH2+]C)[C@@H]1CCC[C@H]1C ZINC000300232343 572014883 /nfs/dbraw/zinc/01/48/83/572014883.db2.gz GXZPCXXJHWXBFT-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@H]([NH3+])[C@H]1CCC[C@H]1C ZINC000300233105 572015088 /nfs/dbraw/zinc/01/50/88/572015088.db2.gz JITYELYNTHSYRM-AGIUHOORSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCCC[C@H]([NH3+])[C@@H]1CCC[C@H]1C ZINC000300233106 572016644 /nfs/dbraw/zinc/01/66/44/572016644.db2.gz JITYELYNTHSYRM-UPJWGTAASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])[C@H]1CCCC1(C)C ZINC000300235180 572016916 /nfs/dbraw/zinc/01/69/16/572016916.db2.gz PZNCYXXXYUCEJH-TUAOUCFPSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)C[C@H]([NH3+])[C@@H]1CCC[C@H]1C ZINC000300235359 572014878 /nfs/dbraw/zinc/01/48/78/572014878.db2.gz QKXPBBFWHXWXDM-RTXFEEFZSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)C[C@H]([NH3+])[C@H]1CCC[C@H]1C ZINC000300235360 572015762 /nfs/dbraw/zinc/01/57/62/572015762.db2.gz QKXPBBFWHXWXDM-WXHSDQCUSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H]([NH3+])[C@H]1CCC[C@H](C(C)C)C1 ZINC000300236513 572016365 /nfs/dbraw/zinc/01/63/65/572016365.db2.gz NTIUOWDTSAKAGH-AVGNSLFASA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H]([NH3+])[C@@H]1CCC[C@H](C(C)C)C1 ZINC000300236514 572017030 /nfs/dbraw/zinc/01/70/30/572017030.db2.gz NTIUOWDTSAKAGH-XQQFMLRXSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@H]([NH2+]CC)[C@H]1CCC[C@H]1C ZINC000300236668 572015108 /nfs/dbraw/zinc/01/51/08/572015108.db2.gz VXKKNIUSCFDNMM-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]([NH2+]CC)[C@@H]1CCC[C@H]1C ZINC000300236669 572017036 /nfs/dbraw/zinc/01/70/36/572017036.db2.gz VXKKNIUSCFDNMM-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CCC[C@@H]1[C@H]([NH3+])CCC(C)(C)C ZINC000300237567 572019548 /nfs/dbraw/zinc/01/95/48/572019548.db2.gz YZHHZLYLQNWHFX-GRYCIOLGSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]1CCC[C@H]1[C@H]([NH3+])CCC(C)(C)C ZINC000300237568 572018322 /nfs/dbraw/zinc/01/83/22/572018322.db2.gz YZHHZLYLQNWHFX-IJLUTSLNSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](C)C[C@H]([NH3+])[C@H]1CCC[C@@H]1C ZINC000300237594 572017306 /nfs/dbraw/zinc/01/73/06/572017306.db2.gz ZEVMVPWEBMQCGW-CYDGBPFRSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](C)C[C@H]([NH3+])[C@@H]1CCC[C@H]1C ZINC000300237595 572018828 /nfs/dbraw/zinc/01/88/28/572018828.db2.gz ZEVMVPWEBMQCGW-LOWDOPEQSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](C)C[C@H]([NH3+])[C@H]1CCC[C@H]1C ZINC000300237596 572018370 /nfs/dbraw/zinc/01/83/70/572018370.db2.gz ZEVMVPWEBMQCGW-RNJOBUHISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]([NH3+])[C@H]1CCC[C@H](CC(C)C)C1 ZINC000300240533 572018565 /nfs/dbraw/zinc/01/85/65/572018565.db2.gz FGEDTUYYUZKZAE-AGIUHOORSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]([NH3+])[C@@H]1CCC[C@H](CC(C)C)C1 ZINC000300240534 572017547 /nfs/dbraw/zinc/01/75/47/572017547.db2.gz FGEDTUYYUZKZAE-UPJWGTAASA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@H](C)[NH2+]C[C@H]1CC[C@H](C)C1 ZINC000300242398 572020697 /nfs/dbraw/zinc/02/06/97/572020697.db2.gz NRXJYRACSNJCQV-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)C1 ZINC000300242399 572022752 /nfs/dbraw/zinc/02/27/52/572022752.db2.gz NRXJYRACSNJCQV-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1C ZINC000300243153 572024495 /nfs/dbraw/zinc/02/44/95/572024495.db2.gz RRMCASQHKYFRHI-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[NH2+]C[C@H]1CCC[C@H]1C ZINC000300243154 572025655 /nfs/dbraw/zinc/02/56/55/572025655.db2.gz RRMCASQHKYFRHI-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[C@H](CC)C[NH2+]C(C)(C)C ZINC000300342210 572122756 /nfs/dbraw/zinc/12/27/56/572122756.db2.gz AKAFLHVGVSDFFW-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)[C@@]1(CC)CCCCC[NH2+]1 ZINC000300342444 572122323 /nfs/dbraw/zinc/12/23/23/572122323.db2.gz CCXMMDPYWMWDGM-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](C)[C@@](C)(CC)C[NH2+]C1CC1 ZINC000300342657 572122361 /nfs/dbraw/zinc/12/23/61/572122361.db2.gz DKDQJVFBDYZQBW-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[C@H](CCC)C[NH2+]C1CC1 ZINC000300342909 572122360 /nfs/dbraw/zinc/12/23/60/572122360.db2.gz HVVDMQGXLBTXDY-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[C@H](C[NH2+]CC)CC(C)C ZINC000300342942 572122445 /nfs/dbraw/zinc/12/24/45/572122445.db2.gz IJITWZINHMFSFK-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@@H](C)[C@H](C[NH2+]CC)C(C)(C)C ZINC000300343092 572124808 /nfs/dbraw/zinc/12/48/08/572124808.db2.gz KMBIWOPANNFGRN-NEPJUHHUSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@H](C)[C@]1([NH3+])CCC[C@H](CC)C1 ZINC000300343628 572126363 /nfs/dbraw/zinc/12/63/63/572126363.db2.gz AWUHRNMKWJHQSI-AVGNSLFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)[C@@]1([NH3+])CCC[C@H](CC)C1 ZINC000300343630 572126164 /nfs/dbraw/zinc/12/61/64/572126164.db2.gz AWUHRNMKWJHQSI-RWMBFGLXSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)[C@@](C)(CCC)C[NH2+]CC ZINC000300343944 572126767 /nfs/dbraw/zinc/12/67/67/572126767.db2.gz OLSJILNNUUGJEO-OLZOCXBDSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@@H](C)[C@H]([NH3+])C1(C)CCCCC1 ZINC000300344310 572126710 /nfs/dbraw/zinc/12/67/10/572126710.db2.gz CRAASVZUNZJCEQ-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](CC)[C@@H]([NH3+])[C@H](C)CCC ZINC000300344586 572126730 /nfs/dbraw/zinc/12/67/30/572126730.db2.gz DJZWVGFKCVPBQV-AGIUHOORSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)[C@@H]([NH3+])[C@@H](C)CCC ZINC000300344589 572125469 /nfs/dbraw/zinc/12/54/69/572125469.db2.gz DJZWVGFKCVPBQV-AVGNSLFASA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CC)[C@H]([NH3+])[C@H](C)CCC ZINC000300344592 572125166 /nfs/dbraw/zinc/12/51/66/572125166.db2.gz DJZWVGFKCVPBQV-FRRDWIJNSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@H](C)[C@@H]([NH2+]CC)[C@H](C)C(C)C ZINC000300344701 572125585 /nfs/dbraw/zinc/12/55/85/572125585.db2.gz DTXZASGFMBJRJE-YNEHKIRRSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@@H](C)[C@@](C)(CC)C[NH2+]C(C)C ZINC000300344858 572126631 /nfs/dbraw/zinc/12/66/31/572126631.db2.gz SOPCUFBCXJOEKP-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)[C@@H]([NH3+])[C@H]1CCCC1(C)C ZINC000300345013 572125000 /nfs/dbraw/zinc/12/50/00/572125000.db2.gz FGSHPMBTHLCMAY-QJPTWQEYSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])[C@H]1CCCC1(C)C ZINC000300345014 572126033 /nfs/dbraw/zinc/12/60/33/572126033.db2.gz FGSHPMBTHLCMAY-TUAOUCFPSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H](C)[C@@]1(C(C)(C)C)CCC[NH2+]1 ZINC000300345089 572125437 /nfs/dbraw/zinc/12/54/37/572125437.db2.gz UFYVWMFALRFEAB-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[C@H](CC)C[NH2+]CC(C)C ZINC000300345130 572124645 /nfs/dbraw/zinc/12/46/45/572124645.db2.gz UQZUSRLJTOJJEU-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@@H](C)[C@H](CCC)C[NH2+]C(C)C ZINC000300345408 572126761 /nfs/dbraw/zinc/12/67/61/572126761.db2.gz VSCNMUROTFZKPP-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@H]([C@H](C)CCC)C1 ZINC000300345561 572124721 /nfs/dbraw/zinc/12/47/21/572124721.db2.gz GQUSLJSORQBPTK-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@@H]([C@H](C)CCC)C1 ZINC000300345563 572125155 /nfs/dbraw/zinc/12/51/55/572125155.db2.gz GQUSLJSORQBPTK-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[C@H]([NH3+])CC1=CCCCC1 ZINC000300345851 572124581 /nfs/dbraw/zinc/12/45/81/572124581.db2.gz XMOHMDIUIXLJMJ-DGCLKSJQSA-N 1 0 195.350 3.640 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])[C@H]1CC[C@H](CC)C1 ZINC000300345857 572125465 /nfs/dbraw/zinc/12/54/65/572125465.db2.gz XRBREIHXZDZQMU-CYDGBPFRSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])[C@H]1CC[C@@H](CC)C1 ZINC000300345858 572125044 /nfs/dbraw/zinc/12/50/44/572125044.db2.gz XRBREIHXZDZQMU-RNJOBUHISA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])C[C@H](C)C(C)(C)C ZINC000300345869 572126273 /nfs/dbraw/zinc/12/62/73/572126273.db2.gz GTGPRBXEOGZSIC-SDDRHHMPSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](C)[C@@H]([NH3+])C[C@H](C)C(C)(C)C ZINC000300345870 572125704 /nfs/dbraw/zinc/12/57/04/572125704.db2.gz GTGPRBXEOGZSIC-SRVKXCTJSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](C)[C@@]1([NH3+])CCCC[C@H]1CC ZINC000300345871 572126732 /nfs/dbraw/zinc/12/67/32/572126732.db2.gz GTQCYQQFAOPELS-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)[C@]1([NH3+])CCCC[C@H]1CC ZINC000300345872 572124578 /nfs/dbraw/zinc/12/45/78/572124578.db2.gz GTQCYQQFAOPELS-YNEHKIRRSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@H](C)[NH2+][C@H]1C=CCCC1 ZINC000300345986 572125813 /nfs/dbraw/zinc/12/58/13/572125813.db2.gz YBVAASGXMPZWSH-AVGNSLFASA-N 1 0 195.350 3.509 10 0 AHAERO CC[C@H](C)C[C@@H](C)[NH2+][C@H]1C=CCCC1 ZINC000300345987 572126124 /nfs/dbraw/zinc/12/61/24/572126124.db2.gz YBVAASGXMPZWSH-XQQFMLRXSA-N 1 0 195.350 3.509 10 0 AHAERO CCC[C@H](C)[C@H](C)[C@H](C)C[NH2+]C(C)C ZINC000300346253 572125886 /nfs/dbraw/zinc/12/58/86/572125886.db2.gz IAKWZEDKKDDTJC-XQQFMLRXSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@H](C)[C@@H](C)[C@H](C)C[NH2+]C(C)C ZINC000300346254 572126087 /nfs/dbraw/zinc/12/60/87/572126087.db2.gz IAKWZEDKKDDTJC-YNEHKIRRSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@@H](C)[C@@]1(CC(C)C)CCC[NH2+]1 ZINC000300346262 572126057 /nfs/dbraw/zinc/12/60/57/572126057.db2.gz YTVPAZJASHHQIN-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[C@H](C)CC[NH2+]C(C)(C)C ZINC000300346866 572125990 /nfs/dbraw/zinc/12/59/90/572125990.db2.gz KBNGCHGFJLIXSG-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)[C@H](CC(C)(C)C)[NH2+]CC ZINC000300346891 572126052 /nfs/dbraw/zinc/12/60/52/572126052.db2.gz KGGFLKXYUPOWJV-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)[C@@H]1CCCC[C@H]1[NH2+]CC ZINC000300347269 572128457 /nfs/dbraw/zinc/12/84/57/572128457.db2.gz KUVSCZQZJRERJH-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@H]1CCCC[C@H]1[NH2+]CC ZINC000300347270 572127664 /nfs/dbraw/zinc/12/76/64/572127664.db2.gz KUVSCZQZJRERJH-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@@H]1CCCCC[C@H]1C[NH3+] ZINC000300347709 572128395 /nfs/dbraw/zinc/12/83/95/572128395.db2.gz MGRZLYANULMKTN-AVGNSLFASA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@H](C)[C@H]1CCCC[C@H]([NH2+]C)C1 ZINC000300348275 572127349 /nfs/dbraw/zinc/12/73/49/572127349.db2.gz NKMQUJKGNJEPJC-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@@H]1CCCC[C@H]([NH2+]C)C1 ZINC000300348276 572129176 /nfs/dbraw/zinc/12/91/76/572129176.db2.gz NKMQUJKGNJEPJC-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@H]1[C@H](C)CCC ZINC000300348616 572128092 /nfs/dbraw/zinc/12/80/92/572128092.db2.gz OPBWGHOAMBWJPJ-FRRDWIJNSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CCC[C@@H]1[C@H](C)CCC ZINC000300348617 572128904 /nfs/dbraw/zinc/12/89/04/572128904.db2.gz OPBWGHOAMBWJPJ-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@H]1CCC[C@H]([NH2+]CC)C1 ZINC000300348822 572127606 /nfs/dbraw/zinc/12/76/06/572127606.db2.gz PJKRSGVHWFZYFN-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@@H]1CCC[C@H]([NH2+]CC)C1 ZINC000300348823 572128848 /nfs/dbraw/zinc/12/88/48/572128848.db2.gz PJKRSGVHWFZYFN-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@@]1(C)CC[C@H]([NH2+]CC)C1 ZINC000300348836 572127304 /nfs/dbraw/zinc/12/73/04/572127304.db2.gz PMMNJMYRMHWUJE-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@]1(C)CC[C@H]([NH2+]CC)C1 ZINC000300348837 572127902 /nfs/dbraw/zinc/12/79/02/572127902.db2.gz PMMNJMYRMHWUJE-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[C@H](C)CC[NH2+]CC(C)C ZINC000300349050 572127951 /nfs/dbraw/zinc/12/79/51/572127951.db2.gz PPCWYDHKSOLVCE-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@@H](C)[C@H]([NH2+]CC)[C@@H](C)CCC ZINC000300349117 572127530 /nfs/dbraw/zinc/12/75/30/572127530.db2.gz QDKFLGKNSVLJNB-ITGUQSILSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C)[C@H]([NH2+]C)C1(C)CCCC1 ZINC000300349589 572128426 /nfs/dbraw/zinc/12/84/26/572128426.db2.gz RETSWCNAXRFEHL-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@@H]1C[C@H](CC)CC[C@H]1[NH3+] ZINC000300350148 572134078 /nfs/dbraw/zinc/13/40/78/572134078.db2.gz UAXYJLBKYRMUBG-QNWHQSFQSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](C)[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] ZINC000300350150 572135219 /nfs/dbraw/zinc/13/52/19/572135219.db2.gz UAXYJLBKYRMUBG-RNJOBUHISA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](C)[C@@H]1C[C@@H](CC)CC[C@H]1[NH3+] ZINC000300350151 572133358 /nfs/dbraw/zinc/13/33/58/572133358.db2.gz UAXYJLBKYRMUBG-ZDEQEGDKSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H](C)[C@H]([NH3+])C1(CC)CCCC1 ZINC000300350198 572133729 /nfs/dbraw/zinc/13/37/29/572133729.db2.gz UGWMWKOBQTVCMC-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)[C@H]([NH3+])CCC1CCCC1 ZINC000300350339 572132962 /nfs/dbraw/zinc/13/29/62/572132962.db2.gz VBBRCEWBEGQDMI-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[NH2+]C[C@H](C)[C@@H](C)[C@H](C)CCC ZINC000300350492 572135171 /nfs/dbraw/zinc/13/51/71/572135171.db2.gz WBVWSFWYOVIISQ-AGIUHOORSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@H](C)[C@H](C)[C@H](C)CCC ZINC000300350493 572132868 /nfs/dbraw/zinc/13/28/68/572132868.db2.gz WBVWSFWYOVIISQ-FRRDWIJNSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@H](C)[C@@H]1CCCCC[C@H]1[NH2+]C ZINC000300350531 572138197 /nfs/dbraw/zinc/13/81/97/572138197.db2.gz WKJQDBKBXVZXLO-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@H]1CCCCC[C@H]1[NH2+]C ZINC000300350532 572137808 /nfs/dbraw/zinc/13/78/08/572137808.db2.gz WKJQDBKBXVZXLO-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[C@H]([NH2+]CC)C(C)(C)CC ZINC000300350997 572137095 /nfs/dbraw/zinc/13/70/95/572137095.db2.gz ZLJZGEBMTKCOIV-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)C[C@H](C)[C@H](C)CCC ZINC000300351036 572137834 /nfs/dbraw/zinc/13/78/34/572137834.db2.gz ZUOJMHZCLPXYPC-FRRDWIJNSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)C[C@@H](C)[C@H](C)CCC ZINC000300351037 572137863 /nfs/dbraw/zinc/13/78/63/572137863.db2.gz ZUOJMHZCLPXYPC-JHJVBQTASA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C)[C@H]1C ZINC000300351446 572137052 /nfs/dbraw/zinc/13/70/52/572137052.db2.gz AFTYWDADSSJBIL-FVCCEPFGSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](CC)[NH2+]C[C@H]1CC[C@H](C)C1 ZINC000300351658 572136800 /nfs/dbraw/zinc/13/68/00/572136800.db2.gz CKSKJKCLDYVHEV-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](CC)[NH2+]C[C@@H]1CC[C@H](C)C1 ZINC000300351659 572138340 /nfs/dbraw/zinc/13/83/40/572138340.db2.gz CKSKJKCLDYVHEV-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](CC)[NH2+]C[C@@H]1CCC[C@H]1C ZINC000300351729 572136079 /nfs/dbraw/zinc/13/60/79/572136079.db2.gz DCUZLOAUUWYYBS-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](CC)[NH2+]C[C@H]1CCC[C@H]1C ZINC000300351730 572137894 /nfs/dbraw/zinc/13/78/94/572137894.db2.gz DCUZLOAUUWYYBS-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](CC)[NH2+][C@H](C)C[C@H](C)CC ZINC000300352223 572138251 /nfs/dbraw/zinc/13/82/51/572138251.db2.gz JGCMBFWFKHDEPX-UPJWGTAASA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CCC(C)C ZINC000300358618 490094140 /nfs/dbraw/zinc/09/41/40/490094140.db2.gz JDLPZPIEQOMRKQ-JHJVBQTASA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)CCC(C)C ZINC000300358619 572130116 /nfs/dbraw/zinc/13/01/16/572130116.db2.gz JDLPZPIEQOMRKQ-UPJWGTAASA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1C[C@@H]1CC ZINC000300358935 572131818 /nfs/dbraw/zinc/13/18/18/572131818.db2.gz LZSWRSUOKUBPPZ-CYDGBPFRSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1C[C@H]1CC ZINC000300358936 572130238 /nfs/dbraw/zinc/13/02/38/572130238.db2.gz LZSWRSUOKUBPPZ-QNWHQSFQSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1C[C@H]1CC ZINC000300358937 572131628 /nfs/dbraw/zinc/13/16/28/572131628.db2.gz LZSWRSUOKUBPPZ-RNJOBUHISA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@H](CC)C[NH2+]CC1(C)CC1 ZINC000300371900 572141343 /nfs/dbraw/zinc/14/13/43/572141343.db2.gz MDYHUSPHKZDVPI-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@H]1C[C@H]1CCC ZINC000300380303 572144358 /nfs/dbraw/zinc/14/43/58/572144358.db2.gz IKDGPASNXZHNQY-AGIUHOORSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@H]1C[C@@H]1CCC ZINC000300380304 572146749 /nfs/dbraw/zinc/14/67/49/572146749.db2.gz IKDGPASNXZHNQY-AVGNSLFASA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@@H]1C[C@H]1CCC ZINC000300380305 572144267 /nfs/dbraw/zinc/14/42/67/572144267.db2.gz IKDGPASNXZHNQY-FRRDWIJNSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H](CC)[NH2+][C@@H]1C[C@@H]1CCC ZINC000300380306 572146449 /nfs/dbraw/zinc/14/64/49/572146449.db2.gz IKDGPASNXZHNQY-RWMBFGLXSA-N 1 0 197.366 3.733 10 0 AHAERO CCCCCC[C@H](C)[NH2+][C@H]1C[C@H]1CC ZINC000300386299 572153155 /nfs/dbraw/zinc/15/31/55/572153155.db2.gz OIWHHGPQJLWRTR-XQQFMLRXSA-N 1 0 197.366 3.733 10 0 AHAERO CCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]1CC ZINC000300386300 572153239 /nfs/dbraw/zinc/15/32/39/572153239.db2.gz OIWHHGPQJLWRTR-YNEHKIRRSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@H](CC)C[NH2+][C@H]1C[C@H]1CC ZINC000300388535 572160786 /nfs/dbraw/zinc/16/07/86/572160786.db2.gz QUKVBHQPZFUJNI-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](CC)C[NH2+][C@@H]1C[C@H]1CC ZINC000300388537 572160013 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/nfs/dbraw/zinc/85/13/54/571851354.db2.gz BIUMRAHERNDSAO-WCQYABFASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@@H](C)[C@@H]([NH3+])CCC1CCCC1 ZINC000300720466 571851764 /nfs/dbraw/zinc/85/17/64/571851764.db2.gz BIUMRAHERNDSAO-YPMHNXCESA-N 1 0 197.366 3.576 10 0 AHAERO C[NH2+]CC[C@@H](C)CCC1CCCCC1 ZINC000300720748 571854787 /nfs/dbraw/zinc/85/47/87/571854787.db2.gz BLOOJGQWVJTMKY-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]CC(C)(C)CCC1CCCC1 ZINC000300723472 571854362 /nfs/dbraw/zinc/85/43/62/571854362.db2.gz CLXMTHIWPNMSHR-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@@H](CCC1CCCCC1)[C@H](C)[NH3+] ZINC000300728856 571861525 /nfs/dbraw/zinc/86/15/25/571861525.db2.gz DZFGAEUBGXYUQD-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](CCC1CCCCC1)[C@@H](C)[NH3+] ZINC000300728857 571860893 /nfs/dbraw/zinc/86/08/93/571860893.db2.gz DZFGAEUBGXYUQD-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](CCC1CCCCC1)[C@H](C)[NH3+] ZINC000300728858 571860732 /nfs/dbraw/zinc/86/07/32/571860732.db2.gz 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1 0 197.366 3.578 10 0 AHAERO CC(C)[C@H](C[NH3+])CCC1CCCCC1 ZINC000300731777 571865086 /nfs/dbraw/zinc/86/50/86/571865086.db2.gz FVTOMLCNFRWQCT-ZDUSSCGKSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]([NH3+])CCCCC1CCCCC1 ZINC000300734980 571866238 /nfs/dbraw/zinc/86/62/38/571866238.db2.gz GWOYEGBKRLLVMF-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CC[C@H]([NH3+])CCCCC1CCCCC1 ZINC000300734981 571863536 /nfs/dbraw/zinc/86/35/36/571863536.db2.gz GWOYEGBKRLLVMF-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO CC[C@H](CCC1CCCCC1)C[NH2+]C ZINC000300735488 571863591 /nfs/dbraw/zinc/86/35/91/571863591.db2.gz HAIPXMXKASZRCW-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@@H](CCC1CCCCC1)C[NH2+]C ZINC000300735490 571864648 /nfs/dbraw/zinc/86/46/48/571864648.db2.gz HAIPXMXKASZRCW-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+][C@H](CC)C[C@H](C)CC(C)C ZINC000300737970 571867945 /nfs/dbraw/zinc/86/79/45/571867945.db2.gz AKYRDZMWVIKLQV-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](CC)C[C@H](C)CC(C)C ZINC000300737971 571866759 /nfs/dbraw/zinc/86/67/59/571866759.db2.gz AKYRDZMWVIKLQV-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CC)C[C@@H](C)CC(C)C ZINC000300737972 571867317 /nfs/dbraw/zinc/86/73/17/571867317.db2.gz AKYRDZMWVIKLQV-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)[C@@H](CCC1CCCC1)[C@@H](C)[NH3+] ZINC000300738065 571869496 /nfs/dbraw/zinc/86/94/96/571869496.db2.gz HQFYHMYROBXAJO-DGCLKSJQSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@H](CCC1CCCC1)[C@@H](C)[NH3+] ZINC000300738067 571868324 /nfs/dbraw/zinc/86/83/24/571868324.db2.gz HQFYHMYROBXAJO-YPMHNXCESA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H](C[NH3+])CCC1CCCCC1 ZINC000300738090 571869203 /nfs/dbraw/zinc/86/92/03/571869203.db2.gz HQXFBSGLWYGAMC-CYBMUJFWSA-N 1 0 197.366 3.722 10 0 AHAERO CCC[C@H](C[NH3+])CCC1CCCCC1 ZINC000300738091 571867055 /nfs/dbraw/zinc/86/70/55/571867055.db2.gz HQXFBSGLWYGAMC-ZDUSSCGKSA-N 1 0 197.366 3.722 10 0 AHAERO CC(C)[C@H]([NH3+])CCCCC1CCCC1 ZINC000300738602 571868887 /nfs/dbraw/zinc/86/88/87/571868887.db2.gz HUYYEHXMVOMZRK-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)[C@@H]([NH3+])CCCCC1CCCC1 ZINC000300738603 571868427 /nfs/dbraw/zinc/86/84/27/571868427.db2.gz HUYYEHXMVOMZRK-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)C[C@H](C)CC[C@@H]([NH3+])CC(C)C ZINC000300740875 571871983 /nfs/dbraw/zinc/87/19/83/571871983.db2.gz AVWFPWGRABEZBU-CHWSQXEVSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@H](C)CC[C@H]([NH3+])CC(C)C ZINC000300740876 571871364 /nfs/dbraw/zinc/87/13/64/571871364.db2.gz AVWFPWGRABEZBU-OLZOCXBDSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@H]([NH3+])CC[C@H](C)CC(C)C ZINC000300740877 571872138 /nfs/dbraw/zinc/87/21/38/571872138.db2.gz AVWFPWGRABEZBU-QWHCGFSZSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)CCC[NH2+]C[C@H](C)CC(C)C ZINC000300740960 571870386 /nfs/dbraw/zinc/87/03/86/571870386.db2.gz AWOSZNAQDPEWRW-CYBMUJFWSA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)CCC[NH2+]C[C@@H](C)CC(C)C ZINC000300740962 571871466 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195.350 3.513 10 0 AHAERO CC(C)[NH2+]CCCCCC1CCCC1 ZINC000300751637 571879751 /nfs/dbraw/zinc/87/97/51/571879751.db2.gz LHYZCAJBPJINSW-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO C[NH2+][C@@H](C)[C@H](C)CCC1CCCCC1 ZINC000300755404 571882546 /nfs/dbraw/zinc/88/25/46/571882546.db2.gz MJBQCJAPPSRHPZ-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)[C@@H](C)CCC1CCCCC1 ZINC000300755405 571880791 /nfs/dbraw/zinc/88/07/91/571880791.db2.gz MJBQCJAPPSRHPZ-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)[C@H](C)CCC1CCCCC1 ZINC000300755407 571883138 /nfs/dbraw/zinc/88/31/38/571883138.db2.gz MJBQCJAPPSRHPZ-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@](C)([NH3+])CCC1CCCCC1 ZINC000300757308 571881261 /nfs/dbraw/zinc/88/12/61/571881261.db2.gz MXGAAILUCPSJFV-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CCC(C)(C)C[NH2+]CCCC(C)(C)C ZINC000300759595 571888361 /nfs/dbraw/zinc/88/83/61/571888361.db2.gz IGAURFGHHKRZJO-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CCC(CC)(C[NH3+])CCC1CCCC1 ZINC000300760825 571891894 /nfs/dbraw/zinc/89/18/94/571891894.db2.gz NOMLPJAEOVUYFQ-UHFFFAOYSA-N 1 0 197.366 3.722 10 0 AHAERO CCC[C@@H]([NH3+])CCCCC1CCCC1 ZINC000300764161 571904441 /nfs/dbraw/zinc/90/44/41/571904441.db2.gz OIDYCJAWRTWJDQ-CYBMUJFWSA-N 1 0 197.366 3.864 10 0 AHAERO CCC[C@H]([NH3+])CCCCC1CCCC1 ZINC000300764162 571902790 /nfs/dbraw/zinc/90/27/90/571902790.db2.gz OIDYCJAWRTWJDQ-ZDUSSCGKSA-N 1 0 197.366 3.864 10 0 AHAERO C[C@H](CCC1CCCCC1)C[C@H](C)[NH3+] ZINC000300765588 571899849 /nfs/dbraw/zinc/89/98/49/571899849.db2.gz OPYRYNAKMAJQTJ-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO C[C@H]([NH3+])C[C@@H](C)CCC1CCCCC1 ZINC000300765596 571900315 /nfs/dbraw/zinc/90/03/15/571900315.db2.gz OPYRYNAKMAJQTJ-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO C[C@@H]([NH3+])C[C@H](C)CCC1CCCCC1 ZINC000300765597 571901201 /nfs/dbraw/zinc/90/12/01/571901201.db2.gz OPYRYNAKMAJQTJ-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)[NH2+]CCCC(C)(C)C ZINC000300766426 571902522 /nfs/dbraw/zinc/90/25/22/571902522.db2.gz FQTLZTPAIVUGAK-UHFFFAOYSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+][C@H](C)[C@@H](C)CCC1CCCC1 ZINC000300766938 571906130 /nfs/dbraw/zinc/90/61/30/571906130.db2.gz OXIRVEYJNUONNY-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C)[C@@H](C)CCC1CCCC1 ZINC000300766939 571905946 /nfs/dbraw/zinc/90/59/46/571905946.db2.gz OXIRVEYJNUONNY-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)[C@H](C)CCC1CCCC1 ZINC000300766940 571906895 /nfs/dbraw/zinc/90/68/95/571906895.db2.gz OXIRVEYJNUONNY-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)C[C@H]([NH3+])CCC1CCCC1 ZINC000300769427 571909628 /nfs/dbraw/zinc/90/96/28/571909628.db2.gz PIWJRIPIKIIYKH-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)C[C@@H]([NH3+])CCC1CCCC1 ZINC000300769429 571908638 /nfs/dbraw/zinc/90/86/38/571908638.db2.gz PIWJRIPIKIIYKH-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)[C@@](C)([NH3+])CCCC(C)(C)C ZINC000300772994 571914933 /nfs/dbraw/zinc/91/49/33/571914933.db2.gz ACHYDTOZQWSYJB-AAEUAGOBSA-N 1 0 199.382 3.966 10 0 AHAERO CC[C@@H](C)[C@](C)([NH3+])CCCC(C)(C)C ZINC000300772996 571916621 /nfs/dbraw/zinc/91/66/21/571916621.db2.gz ACHYDTOZQWSYJB-DGCLKSJQSA-N 1 0 199.382 3.966 10 0 AHAERO CCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC000300773026 571916269 /nfs/dbraw/zinc/91/62/69/571916269.db2.gz ACRCYNATDDIRCX-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@]([NH3+])(CCC1CCCC1)C(C)C ZINC000300773217 571915836 /nfs/dbraw/zinc/91/58/36/571915836.db2.gz QBHOATBJYIIQOH-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@]([NH3+])(CCC1CCCC1)C(C)C ZINC000300773218 571915088 /nfs/dbraw/zinc/91/50/88/571915088.db2.gz QBHOATBJYIIQOH-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CCC[C@H](C[NH3+])C(C)(C)C ZINC000300774626 571918212 /nfs/dbraw/zinc/91/82/12/571918212.db2.gz AJPRDQCLIUQPIE-LLVKDONJSA-N 1 0 199.382 3.824 10 0 AHAERO CC(C)(C)CCC[C@@H](C[NH3+])C(C)(C)C ZINC000300774627 571919307 /nfs/dbraw/zinc/91/93/07/571919307.db2.gz AJPRDQCLIUQPIE-NSHDSACASA-N 1 0 199.382 3.824 10 0 AHAERO CC(C)C[C@@H]([NH3+])CCCC1CCCC1 ZINC000300775137 571915867 /nfs/dbraw/zinc/91/58/67/571915867.db2.gz QLKWUVSGRAFKID-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO C[NH2+][C@@H](C)C[C@H](C)CCC1CCCC1 ZINC000300775640 571918145 /nfs/dbraw/zinc/91/81/45/571918145.db2.gz QNEOOINGYYFAFL-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)C[C@@H](C)CCC1CCCC1 ZINC000300775642 571920829 /nfs/dbraw/zinc/92/08/29/571920829.db2.gz QNEOOINGYYFAFL-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](C)C[C@@H](C)CCC1CCCC1 ZINC000300775645 571918204 /nfs/dbraw/zinc/91/82/04/571918204.db2.gz QNEOOINGYYFAFL-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)C[C@H](C)CCC1CCCC1 ZINC000300775649 571920759 /nfs/dbraw/zinc/92/07/59/571920759.db2.gz QNEOOINGYYFAFL-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH3+])[C@H](C)CCCC(C)(C)C ZINC000300776079 571919647 /nfs/dbraw/zinc/91/96/47/571919647.db2.gz APLXIMYESUJIPE-GHMZBOCLSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@H]([NH3+])[C@H](C)CCCC(C)(C)C ZINC000300776080 571918835 /nfs/dbraw/zinc/91/88/35/571918835.db2.gz APLXIMYESUJIPE-MNOVXSKESA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@H]([NH3+])[C@@H](C)CCCC(C)(C)C ZINC000300776081 571919972 /nfs/dbraw/zinc/91/99/72/571919972.db2.gz APLXIMYESUJIPE-QWRGUYRKSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@@H]([NH3+])[C@@H](C)CCCC(C)(C)C ZINC000300776082 571919830 /nfs/dbraw/zinc/91/98/30/571919830.db2.gz APLXIMYESUJIPE-WDEREUQCSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@H](CCCC(C)(C)C)[C@@H](C)[NH3+] ZINC000300776791 571921361 /nfs/dbraw/zinc/92/13/61/571921361.db2.gz ARWNSESRHRMZQL-GHMZBOCLSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@@H](CCCC(C)(C)C)[C@@H](C)[NH3+] ZINC000300776793 571921973 /nfs/dbraw/zinc/92/19/73/571921973.db2.gz ARWNSESRHRMZQL-MNOVXSKESA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@@H](CCCC(C)(C)C)[C@H](C)[NH3+] ZINC000300776794 571923141 /nfs/dbraw/zinc/92/31/41/571923141.db2.gz ARWNSESRHRMZQL-QWRGUYRKSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@H](CCCC(C)(C)C)[C@H](C)[NH3+] ZINC000300776796 571921457 /nfs/dbraw/zinc/92/14/57/571921457.db2.gz ARWNSESRHRMZQL-WDEREUQCSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@](C)(CCC1CCCC1)C[NH2+]C ZINC000300777912 571923766 /nfs/dbraw/zinc/92/37/66/571923766.db2.gz QZJCZJXQCBQRCP-CYBMUJFWSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@@](C)(CCC1CCCC1)C[NH2+]C ZINC000300777913 571923816 /nfs/dbraw/zinc/92/38/16/571923816.db2.gz QZJCZJXQCBQRCP-ZDUSSCGKSA-N 1 0 197.366 3.593 10 0 AHAERO C[NH2+]CCC(C)(C)CCC1CCCC1 ZINC000300778664 571926779 /nfs/dbraw/zinc/92/67/79/571926779.db2.gz RDXGABCRUFHQAO-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)(C)CCC[NH2+]C(C)(C)C1CC1 ZINC000300779461 571926159 /nfs/dbraw/zinc/92/61/59/571926159.db2.gz PPMQWAWATYYGAH-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CC[NH2+][C@@H](CCCC(C)(C)C)C1 ZINC000300779591 571926441 /nfs/dbraw/zinc/92/64/41/571926441.db2.gz AZWGOUWVICEORK-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CC[NH2+][C@H](CCCC(C)(C)C)C1 ZINC000300779603 571925214 /nfs/dbraw/zinc/92/52/14/571925214.db2.gz AZWGOUWVICEORK-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)CCCC1([NH3+])CCCCC1 ZINC000300779673 571926446 /nfs/dbraw/zinc/92/64/46/571926446.db2.gz BBATYVDQBDPFKI-UHFFFAOYSA-N 1 0 197.366 3.864 10 0 AHAERO CC(C)C[C@H](C[NH3+])CCC1CCCC1 ZINC000300780170 571923440 /nfs/dbraw/zinc/92/34/40/571923440.db2.gz RKMPNYRBEPXDTD-CYBMUJFWSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)C[C@@H](C[NH3+])CCC1CCCC1 ZINC000300780173 571922755 /nfs/dbraw/zinc/92/27/55/571922755.db2.gz RKMPNYRBEPXDTD-ZDUSSCGKSA-N 1 0 197.366 3.578 10 0 AHAERO CCC(CC)[NH2+]CCCC(C)(C)C ZINC000300780417 571923012 /nfs/dbraw/zinc/92/30/12/571923012.db2.gz RMERMFJLAHRPKZ-UHFFFAOYSA-N 1 0 185.355 3.591 10 0 AHAERO CC[NH2+]CC/C=C/CCCC(C)(C)C ZINC000300780455 571922239 /nfs/dbraw/zinc/92/22/39/571922239.db2.gz BDIQWBLXDGSXMX-SOFGYWHQSA-N 1 0 197.366 3.759 10 0 AHAERO C[NH2+]CC/C=C/CCC1CCCCC1 ZINC000300780830 571923391 /nfs/dbraw/zinc/92/33/91/571923391.db2.gz RMIVBMNIDOHYDM-NSCUHMNNSA-N 1 0 195.350 3.513 10 0 AHAERO C[C@H](CC1CC1)[NH2+]CCCC(C)(C)C ZINC000300781265 571922121 /nfs/dbraw/zinc/92/21/21/571922121.db2.gz SOVLUWYKFRHYPQ-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H](CC1CC1)[NH2+]CCCC(C)(C)C ZINC000300781268 571923317 /nfs/dbraw/zinc/92/33/17/571923317.db2.gz SOVLUWYKFRHYPQ-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CCC[NH2+][C@@H]1CCCC(C)(C)C ZINC000300781314 571923837 /nfs/dbraw/zinc/92/38/37/571923837.db2.gz BGSWYSNBNAUFBC-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CCC[NH2+][C@H]1CCCC(C)(C)C ZINC000300781316 571921686 /nfs/dbraw/zinc/92/16/86/571921686.db2.gz BGSWYSNBNAUFBC-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CCC[NH2+][C@@H]1CCCC(C)(C)C ZINC000300781318 571921435 /nfs/dbraw/zinc/92/14/35/571921435.db2.gz BGSWYSNBNAUFBC-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+]C[C@H](C)CCCC1CCCCC1 ZINC000300781540 571921346 /nfs/dbraw/zinc/92/13/46/571921346.db2.gz RPEGQTYURATCIE-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO C[NH2+]C[C@@H](C)CCCC1CCCCC1 ZINC000300781544 571922832 /nfs/dbraw/zinc/92/28/32/571922832.db2.gz RPEGQTYURATCIE-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@@H](C)C[C@@H]([NH3+])CCCC(C)(C)C ZINC000300784143 571926771 /nfs/dbraw/zinc/92/67/71/571926771.db2.gz BRAJUPPVZVRNSA-NEPJUHHUSA-N 1 0 199.382 3.966 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])CCCC(C)(C)C ZINC000300784144 571926297 /nfs/dbraw/zinc/92/62/97/571926297.db2.gz BRAJUPPVZVRNSA-NWDGAFQWSA-N 1 0 199.382 3.966 10 0 AHAERO CC[C@H](C)C[C@@H]([NH3+])CCCC(C)(C)C ZINC000300784145 571926683 /nfs/dbraw/zinc/92/66/83/571926683.db2.gz BRAJUPPVZVRNSA-RYUDHWBXSA-N 1 0 199.382 3.966 10 0 AHAERO CC[C@@H](C)C[C@H]([NH3+])CCCC(C)(C)C ZINC000300784147 571925894 /nfs/dbraw/zinc/92/58/94/571925894.db2.gz BRAJUPPVZVRNSA-VXGBXAGGSA-N 1 0 199.382 3.966 10 0 AHAERO CC(C)[C@](C)(C[NH3+])CCC1CCCC1 ZINC000300784565 571930630 /nfs/dbraw/zinc/93/06/30/571930630.db2.gz SCAGSGKGFYCWTQ-ZDUSSCGKSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@@H](C)[NH2+]CCCC(C)(C)C ZINC000300789352 571931334 /nfs/dbraw/zinc/93/13/34/571931334.db2.gz ZIIUMKHDXWXZOZ-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](C)[NH2+]CCCC(C)(C)C ZINC000300789354 571932436 /nfs/dbraw/zinc/93/24/36/571932436.db2.gz ZIIUMKHDXWXZOZ-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO C[NH2+]CCCCC1CCCCCCC1 ZINC000300790536 571925633 /nfs/dbraw/zinc/92/56/33/571925633.db2.gz BXRLBDMIDWNQBE-UHFFFAOYSA-N 1 0 197.366 3.737 10 0 AHAERO CCC(CC)C[C@H]([NH3+])CCC(C)(C)C ZINC000300790602 571927886 /nfs/dbraw/zinc/92/78/86/571927886.db2.gz CIDYJYACSJPBPB-GFCCVEGCSA-N 1 0 199.382 3.966 10 0 AHAERO CCC(CC)C[C@@H]([NH3+])CCC(C)(C)C ZINC000300790604 571927786 /nfs/dbraw/zinc/92/77/86/571927786.db2.gz CIDYJYACSJPBPB-LBPRGKRZSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](CCCC(C)(C)C)[NH2+]C ZINC000300791327 571929457 /nfs/dbraw/zinc/92/94/57/571929457.db2.gz CJXAAQKBTCQKRD-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](CCCC(C)(C)C)[NH2+]C ZINC000300791329 571927637 /nfs/dbraw/zinc/92/76/37/571927637.db2.gz CJXAAQKBTCQKRD-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](CCC1CCCC1)C[NH2+]C ZINC000300791790 571929390 /nfs/dbraw/zinc/92/93/90/571929390.db2.gz UAFMEUQACDAJBT-CYBMUJFWSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[C@@H](CCC1CCCC1)C[NH2+]C ZINC000300791792 571927509 /nfs/dbraw/zinc/92/75/09/571927509.db2.gz UAFMEUQACDAJBT-ZDUSSCGKSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+][C@H](C)CCCCC1CCCC1 ZINC000300792365 571928521 /nfs/dbraw/zinc/92/85/21/571928521.db2.gz UCGNDZYBHXCOIF-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H](C)CCCCC1CCCC1 ZINC000300792368 571929856 /nfs/dbraw/zinc/92/98/56/571929856.db2.gz UCGNDZYBHXCOIF-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+]C[C@@H](C)CCCC1CCCC1 ZINC000300792659 571929826 /nfs/dbraw/zinc/92/98/26/571929826.db2.gz UEOIVVXDVJSCFV-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC/C=C1/CC[NH2+]CC1(C)C ZINC000300793708 571928354 /nfs/dbraw/zinc/92/83/54/571928354.db2.gz DJAGMBIAYAWKFT-WQLSENKSSA-N 1 0 195.350 3.513 10 0 AHAERO CC(C)(C)CCC[C@@](C)(C[NH3+])C1CC1 ZINC000300793971 571927384 /nfs/dbraw/zinc/92/73/84/571927384.db2.gz CUOHCZCVGCZUJH-ZDUSSCGKSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@@H]1CC[C@H](CCCC(C)(C)C)[NH2+]C1 ZINC000300794029 571928884 /nfs/dbraw/zinc/92/88/84/571928884.db2.gz CVNORBPEPFICLT-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CC[C@@H](CCCC(C)(C)C)[NH2+]C1 ZINC000300794034 571928785 /nfs/dbraw/zinc/92/87/85/571928785.db2.gz CVNORBPEPFICLT-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CC[C@H](CCCC(C)(C)C)[NH2+]C1 ZINC000300794038 571929274 /nfs/dbraw/zinc/92/92/74/571929274.db2.gz CVNORBPEPFICLT-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CC[C@@H](CCCC(C)(C)C)[NH2+]C1 ZINC000300794042 571928610 /nfs/dbraw/zinc/92/86/10/571928610.db2.gz CVNORBPEPFICLT-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(C)(C)[C@H]([NH3+])CCC1CCCC1 ZINC000300794135 571929764 /nfs/dbraw/zinc/92/97/64/571929764.db2.gz UMEXZZLLCHKSFY-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)[C@@H]([NH3+])CCC1CCCC1 ZINC000300794137 571929179 /nfs/dbraw/zinc/92/91/79/571929179.db2.gz UMEXZZLLCHKSFY-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CC[NH2+]CC[C@H](C)CCCC(C)(C)C ZINC000300796183 571927472 /nfs/dbraw/zinc/92/74/72/571927472.db2.gz DEOYVVCESHIVIJ-GFCCVEGCSA-N 1 0 199.382 3.839 10 0 AHAERO CC[C@H](CCCCCC(C)(C)C)[NH2+]C ZINC000300799940 571933455 /nfs/dbraw/zinc/93/34/55/571933455.db2.gz DOGNEVXTYWSIKF-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CC[C@@H](CCCCCC(C)(C)C)[NH2+]C ZINC000300799947 571933651 /nfs/dbraw/zinc/93/36/51/571933651.db2.gz DOGNEVXTYWSIKF-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO C[NH2+]CC/C=C(/C)CCC1CCCC1 ZINC000300800404 571932178 /nfs/dbraw/zinc/93/21/78/571932178.db2.gz VJEMZDSNNNPCFG-SDQBBNPISA-N 1 0 195.350 3.513 10 0 AHAERO CC(C)(C)CCCC(C)(C)CC[NH3+] ZINC000300800778 571933375 /nfs/dbraw/zinc/93/33/75/571933375.db2.gz DPUWHHPGMWXEQF-UHFFFAOYSA-N 1 0 185.355 3.578 10 0 AHAERO CCC[C@@H](C)[C@@H]([NH3+])CCCC(C)(C)C ZINC000300800790 571933271 /nfs/dbraw/zinc/93/32/71/571933271.db2.gz DQIBZMGWIGFSEQ-NEPJUHHUSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])CCCC(C)(C)C ZINC000300800791 571934586 /nfs/dbraw/zinc/93/45/86/571934586.db2.gz DQIBZMGWIGFSEQ-NWDGAFQWSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@H](C)[C@@H]([NH3+])CCCC(C)(C)C ZINC000300800792 571931535 /nfs/dbraw/zinc/93/15/35/571931535.db2.gz DQIBZMGWIGFSEQ-RYUDHWBXSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@@H](C)[C@H]([NH3+])CCCC(C)(C)C ZINC000300800793 571932241 /nfs/dbraw/zinc/93/22/41/571932241.db2.gz DQIBZMGWIGFSEQ-VXGBXAGGSA-N 1 0 199.382 3.966 10 0 AHAERO CC(C)(C)CCC[NH2+]C1(C)CCCC1 ZINC000300800810 571933789 /nfs/dbraw/zinc/93/37/89/571933789.db2.gz DRAAKOHSDNOTAX-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO C[C@@H](C[NH3+])[C@H](C)CCC1CCCCC1 ZINC000300801205 571936186 /nfs/dbraw/zinc/93/61/86/571936186.db2.gz VLEKAUURFUONSJ-NEPJUHHUSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@H](C[NH3+])[C@@H](C)CCC1CCCCC1 ZINC000300801208 571938053 /nfs/dbraw/zinc/93/80/53/571938053.db2.gz VLEKAUURFUONSJ-NWDGAFQWSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@H](CCC1CCCCC1)[C@H](C)C[NH3+] ZINC000300801213 571937979 /nfs/dbraw/zinc/93/79/79/571937979.db2.gz VLEKAUURFUONSJ-VXGBXAGGSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[NH2+]C[C@H](C)C[C@H](C)CC(C)C ZINC000300802455 571936061 /nfs/dbraw/zinc/93/60/61/571936061.db2.gz FINQFXADZAQZKQ-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@@H](C)C[C@H](C)CC(C)C ZINC000300802457 571938014 /nfs/dbraw/zinc/93/80/14/571938014.db2.gz FINQFXADZAQZKQ-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@H](C)C[C@@H](C)CC(C)C ZINC000300802459 571937534 /nfs/dbraw/zinc/93/75/34/571937534.db2.gz FINQFXADZAQZKQ-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@@H](C)C[C@@H](C)CC(C)C ZINC000300802461 571935869 /nfs/dbraw/zinc/93/58/69/571935869.db2.gz FINQFXADZAQZKQ-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@@H](CC)[NH2+]CCCC(C)(C)C ZINC000300802706 571936014 /nfs/dbraw/zinc/93/60/14/571936014.db2.gz DWWSNMUNAQWHTH-GFCCVEGCSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](CC)[NH2+]CCCC(C)(C)C ZINC000300802709 571937357 /nfs/dbraw/zinc/93/73/57/571937357.db2.gz DWWSNMUNAQWHTH-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CC[C@@H]([NH2+]C)[C@H](C)CCC1CCCC1 ZINC000300802773 571935887 /nfs/dbraw/zinc/93/58/87/571935887.db2.gz VTBIGOFSRZXYND-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH2+]C)[C@@H](C)CCC1CCCC1 ZINC000300802774 571935669 /nfs/dbraw/zinc/93/56/69/571935669.db2.gz VTBIGOFSRZXYND-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]([NH2+]C)[C@H](C)CCC1CCCC1 ZINC000300802776 571935332 /nfs/dbraw/zinc/93/53/32/571935332.db2.gz VTBIGOFSRZXYND-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)CCCC1=C[C@H]([NH3+])CCC1 ZINC000300803860 571940305 /nfs/dbraw/zinc/94/03/05/571940305.db2.gz DYFUVMQMQLRSEV-GFCCVEGCSA-N 1 0 195.350 3.640 10 0 AHAERO CC(C)(C)CCCC1=C[C@@H]([NH3+])CCC1 ZINC000300803869 571938988 /nfs/dbraw/zinc/93/89/88/571938988.db2.gz DYFUVMQMQLRSEV-LBPRGKRZSA-N 1 0 195.350 3.640 10 0 AHAERO CC(C)[C@@H](C)[C@@H]([NH3+])CCCC(C)(C)C ZINC000300804270 571940120 /nfs/dbraw/zinc/94/01/20/571940120.db2.gz DZQDFUZVEAYNKC-NEPJUHHUSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)[C@H](C)[C@@H]([NH3+])CCCC(C)(C)C ZINC000300804286 571938975 /nfs/dbraw/zinc/93/89/75/571938975.db2.gz DZQDFUZVEAYNKC-RYUDHWBXSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)(C)CCC[C@@]1(C)CC[C@H]([NH3+])C1 ZINC000300806008 571944026 /nfs/dbraw/zinc/94/40/26/571944026.db2.gz FEJCZPLUXWOKRW-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CCC[C@]1(C)CC[C@@H]([NH3+])C1 ZINC000300806010 571941770 /nfs/dbraw/zinc/94/17/70/571941770.db2.gz FEJCZPLUXWOKRW-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CCC[C@]1(C)CC[C@H]([NH3+])C1 ZINC000300806011 571942743 /nfs/dbraw/zinc/94/27/43/571942743.db2.gz FEJCZPLUXWOKRW-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CCC[C@@]1(C)CC[C@@H]([NH3+])C1 ZINC000300806013 571943132 /nfs/dbraw/zinc/94/31/32/571943132.db2.gz FEJCZPLUXWOKRW-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO C[NH2+][C@H](C)CCCCC1CCCCC1 ZINC000300807218 571946657 /nfs/dbraw/zinc/94/66/57/571946657.db2.gz WRJPFCPTUKAFNH-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO C[NH2+][C@@H](C)CCCCC1CCCCC1 ZINC000300807219 571947145 /nfs/dbraw/zinc/94/71/45/571947145.db2.gz WRJPFCPTUKAFNH-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@](C)(C[NH3+])CCC1CCCCC1 ZINC000300808581 571943768 /nfs/dbraw/zinc/94/37/68/571943768.db2.gz WWFKTBOUEFFQQB-CYBMUJFWSA-N 1 0 197.366 3.722 10 0 AHAERO CC[C@](C)(C[NH3+])CCC1CCCCC1 ZINC000300808584 571942774 /nfs/dbraw/zinc/94/27/74/571942774.db2.gz WWFKTBOUEFFQQB-ZDUSSCGKSA-N 1 0 197.366 3.722 10 0 AHAERO CC[NH2+]CC1(CCCC(C)(C)C)CC1 ZINC000300809605 571949023 /nfs/dbraw/zinc/94/90/23/571949023.db2.gz FRKVLMVCMLTPMC-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC(CC)C[NH2+]CCCC(C)(C)C ZINC000300809647 571948685 /nfs/dbraw/zinc/94/86/85/571948685.db2.gz FRXXWUPGHAMZRB-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CCC([NH3+])(CC)CCC1CCCCC1 ZINC000300812299 571952199 /nfs/dbraw/zinc/95/21/99/571952199.db2.gz XPNNEXJAKDOIRZ-UHFFFAOYSA-N 1 0 197.366 3.864 10 0 AHAERO CC[C@@H](C)[C@H]([NH3+])CCCC(C)(C)C ZINC000300816520 571957175 /nfs/dbraw/zinc/95/71/75/571957175.db2.gz GPAFLBTZCCDTKM-GHMZBOCLSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@@H](C)[C@@H]([NH3+])CCCC(C)(C)C ZINC000300816522 571957050 /nfs/dbraw/zinc/95/70/50/571957050.db2.gz GPAFLBTZCCDTKM-MNOVXSKESA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@H](C)[C@@H]([NH3+])CCCC(C)(C)C ZINC000300816523 571956745 /nfs/dbraw/zinc/95/67/45/571956745.db2.gz GPAFLBTZCCDTKM-QWRGUYRKSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@H](C)[C@H]([NH3+])CCCC(C)(C)C ZINC000300816525 571956171 /nfs/dbraw/zinc/95/61/71/571956171.db2.gz GPAFLBTZCCDTKM-WDEREUQCSA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)CCC[C@@H]([NH3+])CCC(C)(C)C ZINC000300820382 571961556 /nfs/dbraw/zinc/96/15/56/571961556.db2.gz GZDSHVDMZCBUHI-GFCCVEGCSA-N 1 0 199.382 3.966 10 0 AHAERO CC(C)CCC[C@H]([NH3+])CCC(C)(C)C ZINC000300820385 571962039 /nfs/dbraw/zinc/96/20/39/571962039.db2.gz GZDSHVDMZCBUHI-LBPRGKRZSA-N 1 0 199.382 3.966 10 0 AHAERO C[C@@H]1C[C@@H](CCCC(C)(C)C)CC[NH2+]1 ZINC000300822380 571964848 /nfs/dbraw/zinc/96/48/48/571964848.db2.gz HGDNDCVQYIVFFH-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1C[C@H](CCCC(C)(C)C)CC[NH2+]1 ZINC000300822382 571964952 /nfs/dbraw/zinc/96/49/52/571964952.db2.gz HGDNDCVQYIVFFH-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1C[C@@H](CCCC(C)(C)C)CC[NH2+]1 ZINC000300822385 571965403 /nfs/dbraw/zinc/96/54/03/571965403.db2.gz HGDNDCVQYIVFFH-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1C[C@H](CCCC(C)(C)C)CC[NH2+]1 ZINC000300822388 571962937 /nfs/dbraw/zinc/96/29/37/571962937.db2.gz HGDNDCVQYIVFFH-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO C/C(=C\CC[NH3+])CCC1CCCCC1 ZINC000300822996 571965002 /nfs/dbraw/zinc/96/50/02/571965002.db2.gz ZKKOKRPJJWZREM-WUXMJOGZSA-N 1 0 195.350 3.642 10 0 AHAERO CC(C)(C)CCC[NH2+]CCCC1CC1 ZINC000300823290 571964587 /nfs/dbraw/zinc/96/45/87/571964587.db2.gz HHGDDUXABVFJIF-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)(CC[NH3+])CCC1CCCCC1 ZINC000300824902 571964876 /nfs/dbraw/zinc/96/48/76/571964876.db2.gz ZQUBXIHFLBLRMS-UHFFFAOYSA-N 1 0 197.366 3.722 10 0 AHAERO CC(C)(C)CCC[NH2+][C@H]1CC=CCC1 ZINC000300827648 571966918 /nfs/dbraw/zinc/96/69/18/571966918.db2.gz HUSFSXJPNOIHSN-LBPRGKRZSA-N 1 0 195.350 3.511 10 0 AHAERO C[C@@H]([NH3+])CC(C)(C)CCCC(C)(C)C ZINC000300829256 571971131 /nfs/dbraw/zinc/97/11/31/571971131.db2.gz IACOTMRUJNFBSV-LLVKDONJSA-N 1 0 199.382 3.966 10 0 AHAERO C[C@H]([NH3+])CC(C)(C)CCCC(C)(C)C ZINC000300829257 571972697 /nfs/dbraw/zinc/97/26/97/571972697.db2.gz IACOTMRUJNFBSV-NSHDSACASA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@@H](C[NH3+])CCCC(C)(C)C ZINC000300829269 571970984 /nfs/dbraw/zinc/97/09/84/571970984.db2.gz IAJZCDQGTCVZHD-LLVKDONJSA-N 1 0 185.355 3.578 10 0 AHAERO CCC[C@H](C[NH3+])CCCC(C)(C)C ZINC000300829270 571970753 /nfs/dbraw/zinc/97/07/53/571970753.db2.gz IAJZCDQGTCVZHD-NSHDSACASA-N 1 0 185.355 3.578 10 0 AHAERO CC(C)CCC[NH2+]CCCC(C)(C)C ZINC000300831519 571978061 /nfs/dbraw/zinc/97/80/61/571978061.db2.gz IIIIVUXZZQHEFC-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO C[NH2+]C[C@H](C)[C@H](C)CCCC(C)(C)C ZINC000300831524 571978398 /nfs/dbraw/zinc/97/83/98/571978398.db2.gz IIJHWLGXUJQJNH-NEPJUHHUSA-N 1 0 199.382 3.694 10 0 AHAERO C[NH2+]C[C@@H](C)[C@@H](C)CCCC(C)(C)C ZINC000300831526 571979848 /nfs/dbraw/zinc/97/98/48/571979848.db2.gz IIJHWLGXUJQJNH-NWDGAFQWSA-N 1 0 199.382 3.694 10 0 AHAERO C[NH2+]C[C@H](C)[C@@H](C)CCCC(C)(C)C ZINC000300831529 571978152 /nfs/dbraw/zinc/97/81/52/571978152.db2.gz IIJHWLGXUJQJNH-RYUDHWBXSA-N 1 0 199.382 3.694 10 0 AHAERO C[NH2+]C[C@@H](C)[C@H](C)CCCC(C)(C)C ZINC000300831530 571978204 /nfs/dbraw/zinc/97/82/04/571978204.db2.gz IIJHWLGXUJQJNH-VXGBXAGGSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@@](C)(C[NH3+])CCCC(C)(C)C ZINC000300831536 571978563 /nfs/dbraw/zinc/97/85/63/571978563.db2.gz IIKNCONUDVGNMF-GFCCVEGCSA-N 1 0 185.355 3.578 10 0 AHAERO CC[C@](C)(C[NH3+])CCCC(C)(C)C ZINC000300831538 571978042 /nfs/dbraw/zinc/97/80/42/571978042.db2.gz IIKNCONUDVGNMF-LBPRGKRZSA-N 1 0 185.355 3.578 10 0 AHAERO CCC([NH3+])(CC)C[C@H](C)CC(C)C ZINC000300831780 571979698 /nfs/dbraw/zinc/97/96/98/571979698.db2.gz CCQUBJJIHSNPGC-LLVKDONJSA-N 1 0 185.355 3.576 10 0 AHAERO CCC([NH3+])(CC)C[C@@H](C)CC(C)C ZINC000300831781 571979147 /nfs/dbraw/zinc/97/91/47/571979147.db2.gz CCQUBJJIHSNPGC-NSHDSACASA-N 1 0 185.355 3.576 10 0 AHAERO CCCC(C)(C)[NH2+]C[C@H](C)CC(C)C ZINC000300832642 571979703 /nfs/dbraw/zinc/97/97/03/571979703.db2.gz CFKSTAHNYBRHRU-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC(C)(C)[NH2+]C[C@@H](C)CC(C)C ZINC000300832644 571978336 /nfs/dbraw/zinc/97/83/36/571978336.db2.gz CFKSTAHNYBRHRU-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+]C/C(=C/[C@H](C)CC(C)C)CC ZINC000300833951 571978730 /nfs/dbraw/zinc/97/87/30/571978730.db2.gz CJZHYSYZEZJJQB-AUWXEVLLSA-N 1 0 197.366 3.615 10 0 AHAERO CC[NH2+]C/C(=C/[C@@H](C)CC(C)C)CC ZINC000300833953 571978593 /nfs/dbraw/zinc/97/85/93/571978593.db2.gz CJZHYSYZEZJJQB-OQZOHAQUSA-N 1 0 197.366 3.615 10 0 AHAERO C[NH2+]CC(C)(C)CCC1CCCCC1 ZINC000300834220 571978145 /nfs/dbraw/zinc/97/81/45/571978145.db2.gz IDTGPUUVSHZDCN-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC(C)(CC)[NH2+]CCCC(C)(C)C ZINC000300834757 571978039 /nfs/dbraw/zinc/97/80/39/571978039.db2.gz ITVDACISUJQIPM-UHFFFAOYSA-N 1 0 199.382 3.981 10 0 AHAERO C/C(=C/[C@@H](C)CC(C)C)C[NH2+]C(C)C ZINC000300835537 571979813 /nfs/dbraw/zinc/97/98/13/571979813.db2.gz CNFAKPUKLUJBTC-OEMOTLHWSA-N 1 0 197.366 3.613 10 0 AHAERO C/C(=C/[C@H](C)CC(C)C)C[NH2+]C(C)C ZINC000300835538 571978236 /nfs/dbraw/zinc/97/82/36/571978236.db2.gz CNFAKPUKLUJBTC-YFBAIUBQSA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)C[C@H](C)CC[C@H]([NH3+])C(C)(C)C ZINC000300835590 571979041 /nfs/dbraw/zinc/97/90/41/571979041.db2.gz COKDMVBRPPYAOT-NEPJUHHUSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@@H](C)CC[C@@H]([NH3+])C(C)(C)C ZINC000300835591 571977912 /nfs/dbraw/zinc/97/79/12/571977912.db2.gz COKDMVBRPPYAOT-NWDGAFQWSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@@H](C)CC[C@H]([NH3+])C(C)(C)C ZINC000300835592 571978173 /nfs/dbraw/zinc/97/81/73/571978173.db2.gz COKDMVBRPPYAOT-RYUDHWBXSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@H](C)CC[C@@H]([NH3+])C(C)(C)C ZINC000300835593 571977891 /nfs/dbraw/zinc/97/78/91/571977891.db2.gz COKDMVBRPPYAOT-VXGBXAGGSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@H](C[NH3+])CCCC(C)(C)C ZINC000300836531 571979477 /nfs/dbraw/zinc/97/94/77/571979477.db2.gz JEADPEDIXUSFBS-GFCCVEGCSA-N 1 0 199.382 3.824 10 0 AHAERO CC(C)C[C@@H](C[NH3+])CCCC(C)(C)C ZINC000300836532 571979552 /nfs/dbraw/zinc/97/95/52/571979552.db2.gz JEADPEDIXUSFBS-LBPRGKRZSA-N 1 0 199.382 3.824 10 0 AHAERO CCC(CC)[C@H]([NH3+])CCCC(C)(C)C ZINC000300836582 571979281 /nfs/dbraw/zinc/97/92/81/571979281.db2.gz JEPVJQYADKUZCO-GFCCVEGCSA-N 1 0 199.382 3.966 10 0 AHAERO CCC(CC)[C@@H]([NH3+])CCCC(C)(C)C ZINC000300836584 571979918 /nfs/dbraw/zinc/97/99/18/571979918.db2.gz JEPVJQYADKUZCO-LBPRGKRZSA-N 1 0 199.382 3.966 10 0 AHAERO CC(C)C[C@H](C)C[C@H]([NH3+])C1CCCC1 ZINC000300837254 571979524 /nfs/dbraw/zinc/97/95/24/571979524.db2.gz CTJURDOMVDVPCL-AAEUAGOBSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@H](C)C[C@@H]([NH3+])C1CCCC1 ZINC000300837256 571978846 /nfs/dbraw/zinc/97/88/46/571978846.db2.gz CTJURDOMVDVPCL-DGCLKSJQSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@H](C)C[C@@H]([NH3+])C1CCCC1 ZINC000300837258 571979851 /nfs/dbraw/zinc/97/98/51/571979851.db2.gz CTJURDOMVDVPCL-WCQYABFASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@H](C)C[C@H]([NH3+])C1CCCC1 ZINC000300837260 571979970 /nfs/dbraw/zinc/97/99/70/571979970.db2.gz CTJURDOMVDVPCL-YPMHNXCESA-N 1 0 197.366 3.576 10 0 AHAERO C[NH2+][C@H]1CCC[C@@H]1CCCC(C)(C)C ZINC000300838238 571978586 /nfs/dbraw/zinc/97/85/86/571978586.db2.gz JJFCIDHISCZQBF-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H]1CCC[C@H]1CCCC(C)(C)C ZINC000300838242 571979229 /nfs/dbraw/zinc/97/92/29/571979229.db2.gz JJFCIDHISCZQBF-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H]1CCC[C@H]1CCCC(C)(C)C ZINC000300838245 571979343 /nfs/dbraw/zinc/97/93/43/571979343.db2.gz JJFCIDHISCZQBF-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[C@@](C)(C[NH3+])CCCC(C)(C)C ZINC000300838397 571979139 /nfs/dbraw/zinc/97/91/39/571979139.db2.gz JLHDUPQCEWTUJO-CYBMUJFWSA-N 1 0 199.382 3.824 10 0 AHAERO CC(C)[C@](C)(C[NH3+])CCCC(C)(C)C ZINC000300838399 571977986 /nfs/dbraw/zinc/97/79/86/571977986.db2.gz JLHDUPQCEWTUJO-ZDUSSCGKSA-N 1 0 199.382 3.824 10 0 AHAERO CC(C)C[C@H](C)/C=C/C[NH2+]C(C)(C)C ZINC000300839358 571980664 /nfs/dbraw/zinc/98/06/64/571980664.db2.gz CZERQXSZDBSJIL-ABZNLYFFSA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)C[C@@H](C)/C=C/C[NH2+]C(C)(C)C ZINC000300839359 571981897 /nfs/dbraw/zinc/98/18/97/571981897.db2.gz CZERQXSZDBSJIL-GUOLPTJISA-N 1 0 197.366 3.613 10 0 AHAERO CCC[C@@H](C[NH2+]C)C[C@H](C)CC(C)C ZINC000300840159 571982099 /nfs/dbraw/zinc/98/20/99/571982099.db2.gz DCKTYZCMHPDVGD-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@H](C[NH2+]C)C[C@H](C)CC(C)C ZINC000300840160 571982208 /nfs/dbraw/zinc/98/22/08/571982208.db2.gz DCKTYZCMHPDVGD-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@@H](C[NH2+]C)C[C@@H](C)CC(C)C ZINC000300840161 571981698 /nfs/dbraw/zinc/98/16/98/571981698.db2.gz DCKTYZCMHPDVGD-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@H](C[NH2+]C)C[C@@H](C)CC(C)C ZINC000300840162 571981660 /nfs/dbraw/zinc/98/16/60/571981660.db2.gz DCKTYZCMHPDVGD-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO C[NH2+][C@H](CCCC(C)(C)C)C1(C)CC1 ZINC000300840774 571982253 /nfs/dbraw/zinc/98/22/53/571982253.db2.gz JRCRCSINUALSLB-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](CCCC(C)(C)C)C1(C)CC1 ZINC000300840776 571982242 /nfs/dbraw/zinc/98/22/42/571982242.db2.gz JRCRCSINUALSLB-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)[C@H](C)[NH2+]CCCC(C)(C)C ZINC000300840887 571982423 /nfs/dbraw/zinc/98/24/23/571982423.db2.gz JTEAJLIEGIGYRF-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)[C@@H](C)[NH2+]CCCC(C)(C)C ZINC000300840890 571980416 /nfs/dbraw/zinc/98/04/16/571980416.db2.gz JTEAJLIEGIGYRF-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)[C@@H](C)[NH2+]CCCC(C)(C)C ZINC000300840895 571982195 /nfs/dbraw/zinc/98/21/95/571982195.db2.gz JTEAJLIEGIGYRF-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)CC(C)C ZINC000300844044 571984295 /nfs/dbraw/zinc/98/42/95/571984295.db2.gz DNRZCTZHIGYRHA-AGIUHOORSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)CC(C)C ZINC000300844045 571982960 /nfs/dbraw/zinc/98/29/60/571982960.db2.gz DNRZCTZHIGYRHA-AVGNSLFASA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)CC(C)C ZINC000300844046 571984389 /nfs/dbraw/zinc/98/43/89/571984389.db2.gz DNRZCTZHIGYRHA-FRRDWIJNSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CC(C)C ZINC000300844047 571983595 /nfs/dbraw/zinc/98/35/95/571983595.db2.gz DNRZCTZHIGYRHA-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@]1(CCCC(C)(C)C)CCC[NH2+]1 ZINC000300844557 571983157 /nfs/dbraw/zinc/98/31/57/571983157.db2.gz KELQTQKXKMTGJF-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1CCCC(C)(C)C ZINC000300844583 571983607 /nfs/dbraw/zinc/98/36/07/571983607.db2.gz KFHVGBYMCITDKH-QJPTWQEYSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1CCCC(C)(C)C ZINC000300844584 571984350 /nfs/dbraw/zinc/98/43/50/571984350.db2.gz KFHVGBYMCITDKH-SDDRHHMPSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]1[C@@H]([NH3+])CC[C@@H]1CCCC(C)(C)C ZINC000300844585 571983662 /nfs/dbraw/zinc/98/36/62/571983662.db2.gz KFHVGBYMCITDKH-SRVKXCTJSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H]1[C@H](CCCC(C)(C)C)CC[C@@H]1[NH3+] ZINC000300844586 571983667 /nfs/dbraw/zinc/98/36/67/571983667.db2.gz KFHVGBYMCITDKH-TUAOUCFPSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@H](C)[C@H]([NH2+]CCC)C1CC1 ZINC000300844765 571983434 /nfs/dbraw/zinc/98/34/34/571983434.db2.gz AJBAVOSNLIBKTI-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH2+]CCC)C1CC1 ZINC000300844766 571984270 /nfs/dbraw/zinc/98/42/70/571984270.db2.gz AJBAVOSNLIBKTI-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH2+]CCC)C1CC1 ZINC000300844769 571983199 /nfs/dbraw/zinc/98/31/99/571983199.db2.gz AJBAVOSNLIBKTI-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH2+]CCC)C1CC1 ZINC000300844771 571983730 /nfs/dbraw/zinc/98/37/30/571983730.db2.gz AJBAVOSNLIBKTI-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[C@](C)([NH3+])CCCC(C)(C)C ZINC000300845487 571984670 /nfs/dbraw/zinc/98/46/70/571984670.db2.gz KJICDLVCSUGDJG-GFCCVEGCSA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)[C@@](C)([NH3+])CCCC(C)(C)C ZINC000300845489 571983557 /nfs/dbraw/zinc/98/35/57/571983557.db2.gz KJICDLVCSUGDJG-LBPRGKRZSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[NH2+][C@H](C)CC[C@@H](C)CC(C)C ZINC000300847024 571984421 /nfs/dbraw/zinc/98/44/21/571984421.db2.gz DWCBLHPYBPBWNO-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)CC[C@H](C)CC(C)C ZINC000300847026 571984825 /nfs/dbraw/zinc/98/48/25/571984825.db2.gz DWCBLHPYBPBWNO-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C)CC[C@H](C)CC(C)C ZINC000300847027 571984733 /nfs/dbraw/zinc/98/47/33/571984733.db2.gz DWCBLHPYBPBWNO-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH3+])CCC(C)(C)C ZINC000300847108 571984477 /nfs/dbraw/zinc/98/44/77/571984477.db2.gz AQOCHSSLDLHRCJ-NEPJUHHUSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])CCC(C)(C)C ZINC000300847110 571983711 /nfs/dbraw/zinc/98/37/11/571983711.db2.gz AQOCHSSLDLHRCJ-RYUDHWBXSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH3+])CCC(C)(C)C ZINC000300847111 571983205 /nfs/dbraw/zinc/98/32/05/571983205.db2.gz AQOCHSSLDLHRCJ-VXGBXAGGSA-N 1 0 199.382 3.966 10 0 AHAERO C[NH2+][C@@H](C)C[C@H](C)CCCC(C)(C)C ZINC000300847415 571985447 /nfs/dbraw/zinc/98/54/47/571985447.db2.gz KNYINAXFNXOVSF-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@@H](C)C[C@@H](C)CCCC(C)(C)C ZINC000300847420 571985177 /nfs/dbraw/zinc/98/51/77/571985177.db2.gz KNYINAXFNXOVSF-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@H](C)C[C@H](C)CCCC(C)(C)C ZINC000300847422 571985234 /nfs/dbraw/zinc/98/52/34/571985234.db2.gz KNYINAXFNXOVSF-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C)CCCCCC(C)(C)C ZINC000300847460 571985426 /nfs/dbraw/zinc/98/54/26/571985426.db2.gz KODRDNALFMUZSR-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC1(CCCC(C)(C)C)C[NH2+]C1 ZINC000300849502 571985283 /nfs/dbraw/zinc/98/52/83/571985283.db2.gz KUDYEKIATFDYBD-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)[NH2+]CCCCCCC(C)(C)C ZINC000300851328 571988003 /nfs/dbraw/zinc/98/80/03/571988003.db2.gz KZHBWVSXLNOBQS-UHFFFAOYSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@](C)(C[NH3+])CCCC(C)(C)C ZINC000300851347 571986271 /nfs/dbraw/zinc/98/62/71/571986271.db2.gz KZVKWHJTJLQGCX-ZDUSSCGKSA-N 1 0 199.382 3.968 10 0 AHAERO CCC(CC)C[NH2+]C[C@H](C)CC(C)C ZINC000300853624 571986714 /nfs/dbraw/zinc/98/67/14/571986714.db2.gz FPMNMTUXKOYIQD-GFCCVEGCSA-N 1 0 199.382 3.694 10 0 AHAERO CCC(CC)C[NH2+]C[C@@H](C)CC(C)C ZINC000300853627 571987551 /nfs/dbraw/zinc/98/75/51/571987551.db2.gz FPMNMTUXKOYIQD-LBPRGKRZSA-N 1 0 199.382 3.694 10 0 AHAERO C[NH2+][C@H](C)CCC1CCCCCCC1 ZINC000300854029 571986344 /nfs/dbraw/zinc/98/63/44/571986344.db2.gz MIOAJWSAAPNSBN-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO C[NH2+][C@@H](C)CCC1CCCCCCC1 ZINC000300854031 571986785 /nfs/dbraw/zinc/98/67/85/571986785.db2.gz MIOAJWSAAPNSBN-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H](C)[C@H](CC(C)C)[NH2+]CC ZINC000300854453 571988558 /nfs/dbraw/zinc/98/85/58/571988558.db2.gz BOYLUYWUYDKMIY-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@@H](CC(C)C)[NH2+]CC ZINC000300854456 571990353 /nfs/dbraw/zinc/99/03/53/571990353.db2.gz BOYLUYWUYDKMIY-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@H](CC(C)C)[NH2+]CC ZINC000300854459 571990571 /nfs/dbraw/zinc/99/05/71/571990571.db2.gz BOYLUYWUYDKMIY-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@]([NH3+])(CCCC(C)(C)C)C(C)C ZINC000300855374 571990387 /nfs/dbraw/zinc/99/03/87/571990387.db2.gz LMTYUGAPABVFSG-CYBMUJFWSA-N 1 0 199.382 3.966 10 0 AHAERO CC[C@]([NH3+])(CCCC(C)(C)C)C(C)C ZINC000300855376 571989634 /nfs/dbraw/zinc/98/96/34/571989634.db2.gz LMTYUGAPABVFSG-ZDUSSCGKSA-N 1 0 199.382 3.966 10 0 AHAERO CC(C)C[C@H](C)C[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000300855464 571988756 /nfs/dbraw/zinc/98/87/56/571988756.db2.gz FVRYGCPEEIKMPZ-AVGNSLFASA-N 1 0 199.382 3.678 10 0 AHAERO CC(C)C[C@H](C)C[C@H](C(C)C)[C@H](C)[NH3+] ZINC000300855466 571990311 /nfs/dbraw/zinc/99/03/11/571990311.db2.gz FVRYGCPEEIKMPZ-RWMBFGLXSA-N 1 0 199.382 3.678 10 0 AHAERO CC(C)C[C@H](C)C[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000300855468 571990131 /nfs/dbraw/zinc/99/01/31/571990131.db2.gz FVRYGCPEEIKMPZ-XQQFMLRXSA-N 1 0 199.382 3.678 10 0 AHAERO CC(C)C[C@H](C)C[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000300855470 571989854 /nfs/dbraw/zinc/98/98/54/571989854.db2.gz FVRYGCPEEIKMPZ-YNEHKIRRSA-N 1 0 199.382 3.678 10 0 AHAERO CCC[NH2+]CCCC[C@@H](C)CC(C)C ZINC000300857220 571990438 /nfs/dbraw/zinc/99/04/38/571990438.db2.gz GBCMPXNTUYJAMB-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]CCCC[C@H](C)CC(C)C ZINC000300857221 572012154 /nfs/dbraw/zinc/01/21/54/572012154.db2.gz GBCMPXNTUYJAMB-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@@](C)([NH3+])CCCC(C)(C)C ZINC000300857375 571989653 /nfs/dbraw/zinc/98/96/53/571989653.db2.gz LTPSBEQYBSRLAQ-GFCCVEGCSA-N 1 0 185.355 3.720 10 0 AHAERO CCC[C@](C)([NH3+])CCCC(C)(C)C ZINC000300857378 571989280 /nfs/dbraw/zinc/98/92/80/571989280.db2.gz LTPSBEQYBSRLAQ-LBPRGKRZSA-N 1 0 185.355 3.720 10 0 AHAERO CC[NH2+][C@H](C)[C@@H](C)C[C@H](C)CC(C)C ZINC000300858051 571988909 /nfs/dbraw/zinc/98/89/09/571988909.db2.gz GBZQKWSGQLHDBU-FRRDWIJNSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](C)[C@H](C)C[C@H](C)CC(C)C ZINC000300858052 571990760 /nfs/dbraw/zinc/99/07/60/571990760.db2.gz GBZQKWSGQLHDBU-JHJVBQTASA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](C)[C@@H](C)C[C@@H](C)CC(C)C ZINC000300858053 571988701 /nfs/dbraw/zinc/98/87/01/571988701.db2.gz GBZQKWSGQLHDBU-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](C)[C@H](C)C[C@@H](C)CC(C)C ZINC000300858054 571990879 /nfs/dbraw/zinc/99/08/79/571990879.db2.gz GBZQKWSGQLHDBU-YNEHKIRRSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[C@@H]([NH3+])CCCCC(C)(C)C ZINC000300862469 571993861 /nfs/dbraw/zinc/99/38/61/571993861.db2.gz MEJZZUUMAZNZLM-LBPRGKRZSA-N 1 0 199.382 3.966 10 0 AHAERO C[C@@H]([NH2+]CCCC(C)(C)C)C(C)(C)C ZINC000300862500 571993846 /nfs/dbraw/zinc/99/38/46/571993846.db2.gz MFBOVBVGGRNXAA-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO C[C@H]([NH2+]CCCC(C)(C)C)C(C)(C)C ZINC000300862501 571994309 /nfs/dbraw/zinc/99/43/09/571994309.db2.gz MFBOVBVGGRNXAA-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO C[C@@H]([NH3+])C[C@H](C)CCCC(C)(C)C ZINC000300862613 571994305 /nfs/dbraw/zinc/99/43/05/571994305.db2.gz MGKUODGSEMHVQT-GHMZBOCLSA-N 1 0 185.355 3.576 10 0 AHAERO C[C@H](CCCC(C)(C)C)C[C@H](C)[NH3+] ZINC000300862615 571992721 /nfs/dbraw/zinc/99/27/21/571992721.db2.gz MGKUODGSEMHVQT-MNOVXSKESA-N 1 0 185.355 3.576 10 0 AHAERO C[C@H]([NH3+])C[C@@H](C)CCCC(C)(C)C ZINC000300862617 571992985 /nfs/dbraw/zinc/99/29/85/571992985.db2.gz MGKUODGSEMHVQT-QWRGUYRKSA-N 1 0 185.355 3.576 10 0 AHAERO C[C@@H]([NH3+])C[C@@H](C)CCCC(C)(C)C ZINC000300862619 571993692 /nfs/dbraw/zinc/99/36/92/571993692.db2.gz MGKUODGSEMHVQT-WDEREUQCSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H](C)[C@@H]([NH3+])C[C@H](C)CC(C)C ZINC000300863349 571994148 /nfs/dbraw/zinc/99/41/48/571994148.db2.gz GRWAWNJREUJSRH-AGIUHOORSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](C)[C@@H]([NH3+])C[C@@H](C)CC(C)C ZINC000300863351 571994374 /nfs/dbraw/zinc/99/43/74/571994374.db2.gz GRWAWNJREUJSRH-AVGNSLFASA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])C[C@H](C)CC(C)C ZINC000300863353 571993398 /nfs/dbraw/zinc/99/33/98/571993398.db2.gz GRWAWNJREUJSRH-FRRDWIJNSA-N 1 0 199.382 3.822 10 0 AHAERO CCC(C)(C)[C@H]([NH3+])CCCC(C)(C)C ZINC000300863492 571992817 /nfs/dbraw/zinc/99/28/17/571992817.db2.gz MHKRKVVLQLHCGX-LLVKDONJSA-N 1 0 199.382 3.966 10 0 AHAERO CCC(C)(C)[C@@H]([NH3+])CCCC(C)(C)C ZINC000300863493 571992957 /nfs/dbraw/zinc/99/29/57/571992957.db2.gz MHKRKVVLQLHCGX-NSHDSACASA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H]([NH3+])CCCC(C)(C)C ZINC000300864664 571992611 /nfs/dbraw/zinc/99/26/11/571992611.db2.gz MLSNGPNFJOFVCP-LLVKDONJSA-N 1 0 185.355 3.720 10 0 AHAERO CCCC[C@H]([NH3+])CCCC(C)(C)C ZINC000300864666 571992914 /nfs/dbraw/zinc/99/29/14/571992914.db2.gz MLSNGPNFJOFVCP-NSHDSACASA-N 1 0 185.355 3.720 10 0 AHAERO CC(C)(C)CCC[C@@H]([NH3+])CC(C)(C)C ZINC000300865364 571995345 /nfs/dbraw/zinc/99/53/45/571995345.db2.gz MLZAYDWVXSMQQS-LLVKDONJSA-N 1 0 199.382 3.966 10 0 AHAERO CC(C)(C)CCC[C@H]([NH3+])CC(C)(C)C ZINC000300865367 571995697 /nfs/dbraw/zinc/99/56/97/571995697.db2.gz MLZAYDWVXSMQQS-NSHDSACASA-N 1 0 199.382 3.966 10 0 AHAERO CC(C)C[C@H](C)C[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000300866899 571992899 /nfs/dbraw/zinc/99/28/99/571992899.db2.gz HDCOUJNFLKKXHD-AVGNSLFASA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)C[C@H](C)C[C@H]1CCC[C@H](C)[NH2+]1 ZINC000300866900 571992566 /nfs/dbraw/zinc/99/25/66/571992566.db2.gz HDCOUJNFLKKXHD-RWMBFGLXSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)C[C@H](C)C[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000300866901 571993898 /nfs/dbraw/zinc/99/38/98/571993898.db2.gz HDCOUJNFLKKXHD-XQQFMLRXSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)C[C@H](C)C[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000300866902 571992690 /nfs/dbraw/zinc/99/26/90/571992690.db2.gz HDCOUJNFLKKXHD-YNEHKIRRSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)(C)CCC[C@H]1CCC[C@H]1C[NH3+] ZINC000300867515 571992848 /nfs/dbraw/zinc/99/28/48/571992848.db2.gz MVOCTBUOIOWKBE-NEPJUHHUSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)(C)CCC[C@@H]1CCC[C@@H]1C[NH3+] ZINC000300867516 571994221 /nfs/dbraw/zinc/99/42/21/571994221.db2.gz MVOCTBUOIOWKBE-NWDGAFQWSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)(C)CCC[C@@H]1CCC[C@H]1C[NH3+] ZINC000300867517 571993417 /nfs/dbraw/zinc/99/34/17/571993417.db2.gz MVOCTBUOIOWKBE-RYUDHWBXSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)(C)CCC[C@H]1CCC[C@@H]1C[NH3+] ZINC000300867518 571994199 /nfs/dbraw/zinc/99/41/99/571994199.db2.gz MVOCTBUOIOWKBE-VXGBXAGGSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@H]1CC[C@@]([NH3+])(CCCC(C)(C)C)C1 ZINC000300868322 571996874 /nfs/dbraw/zinc/99/68/74/571996874.db2.gz MXIBRDVFJDCIJF-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO C[C@@H]1CC[C@]([NH3+])(CCCC(C)(C)C)C1 ZINC000300868324 571996225 /nfs/dbraw/zinc/99/62/25/571996225.db2.gz MXIBRDVFJDCIJF-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO C[C@H]1CC[C@]([NH3+])(CCCC(C)(C)C)C1 ZINC000300868325 571996655 /nfs/dbraw/zinc/99/66/55/571996655.db2.gz MXIBRDVFJDCIJF-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO C[C@@H]1CC[C@@]([NH3+])(CCCC(C)(C)C)C1 ZINC000300868326 571995610 /nfs/dbraw/zinc/99/56/10/571995610.db2.gz MXIBRDVFJDCIJF-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CC[NH2+]C[C@H](CC)CCCC(C)(C)C ZINC000300869193 571997164 /nfs/dbraw/zinc/99/71/64/571997164.db2.gz NACGWSZNSFYTTC-GFCCVEGCSA-N 1 0 199.382 3.839 10 0 AHAERO CC[NH2+]C[C@@H](CC)CCCC(C)(C)C ZINC000300869194 571995043 /nfs/dbraw/zinc/99/50/43/571995043.db2.gz NACGWSZNSFYTTC-LBPRGKRZSA-N 1 0 199.382 3.839 10 0 AHAERO C[NH2+]CC1(CCCC(C)(C)C)CCC1 ZINC000300869208 571995731 /nfs/dbraw/zinc/99/57/31/571995731.db2.gz NAKXGTOHRJERFH-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)(C)CCC[C@@H]([NH3+])CC1CCC1 ZINC000300870382 571997958 /nfs/dbraw/zinc/99/79/58/571997958.db2.gz NCHATQBPIHGVJA-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CCC[C@H]([NH3+])CC1CCC1 ZINC000300870383 571997805 /nfs/dbraw/zinc/99/78/05/571997805.db2.gz NCHATQBPIHGVJA-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](C)[NH2+]CCCC(C)(C)C ZINC000300871609 571995222 /nfs/dbraw/zinc/99/52/22/571995222.db2.gz NFUJISYDYZWLIS-LBPRGKRZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH2+]C)C1=CCCC1 ZINC000300872240 571996278 /nfs/dbraw/zinc/99/62/78/571996278.db2.gz DXTCLJRFUMCLIE-DGCLKSJQSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH2+]C)C1=CCCC1 ZINC000300872241 571995089 /nfs/dbraw/zinc/99/50/89/571995089.db2.gz DXTCLJRFUMCLIE-WCQYABFASA-N 1 0 195.350 3.511 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH2+]C)C1=CCCC1 ZINC000300872242 571996236 /nfs/dbraw/zinc/99/62/36/571996236.db2.gz DXTCLJRFUMCLIE-YPMHNXCESA-N 1 0 195.350 3.511 10 0 AHAERO CC[NH2+][C@H](C)/C(C)=C/[C@@H](C)CC(C)C ZINC000300874746 571999194 /nfs/dbraw/zinc/99/91/94/571999194.db2.gz IAVUXDDRUBIOPC-BBLQWXAZSA-N 1 0 197.366 3.613 10 0 AHAERO CC[NH2+][C@H](C)/C(C)=C/[C@H](C)CC(C)C ZINC000300874752 571998262 /nfs/dbraw/zinc/99/82/62/571998262.db2.gz IAVUXDDRUBIOPC-YBUYXDSISA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)C[C@@H](C)CC1([NH3+])CCCCC1 ZINC000300874781 571999250 /nfs/dbraw/zinc/99/92/50/571999250.db2.gz IBHCQTVIDPDFHO-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)C[C@H](C)CC1([NH3+])CCCCC1 ZINC000300874783 571999157 /nfs/dbraw/zinc/99/91/57/571999157.db2.gz IBHCQTVIDPDFHO-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CCC[C@H]1CCCCC[NH2+]1 ZINC000300874940 571999017 /nfs/dbraw/zinc/99/90/17/571999017.db2.gz NPWNCFOGQUYVIG-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)(C)CCC[C@@H]1CCCCC[NH2+]1 ZINC000300874941 571997780 /nfs/dbraw/zinc/99/77/80/571997780.db2.gz NPWNCFOGQUYVIG-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+]C/C(C)=C/[C@H](C)CC(C)C ZINC000300875712 571999923 /nfs/dbraw/zinc/99/99/23/571999923.db2.gz IEPIWPXPVIEOOF-AUWXEVLLSA-N 1 0 197.366 3.615 10 0 AHAERO CCC[NH2+]C/C(C)=C/[C@@H](C)CC(C)C ZINC000300875713 571999945 /nfs/dbraw/zinc/99/99/45/571999945.db2.gz IEPIWPXPVIEOOF-OQZOHAQUSA-N 1 0 197.366 3.615 10 0 AHAERO C[NH2+]CC/C=C(/C)CCCC(C)(C)C ZINC000300875772 572000015 /nfs/dbraw/zinc/00/00/15/572000015.db2.gz NUFYIVNVMNCNJD-XFXZXTDPSA-N 1 0 197.366 3.759 10 0 AHAERO CCC(CC)(C[NH3+])C[C@H](C)CC(C)C ZINC000300876282 571998877 /nfs/dbraw/zinc/99/88/77/571998877.db2.gz IFNZQVHNODWIKB-GFCCVEGCSA-N 1 0 199.382 3.824 10 0 AHAERO CCC(CC)(C[NH3+])C[C@@H](C)CC(C)C ZINC000300876284 571998199 /nfs/dbraw/zinc/99/81/99/571998199.db2.gz IFNZQVHNODWIKB-LBPRGKRZSA-N 1 0 199.382 3.824 10 0 AHAERO CC[NH2+]C[C@H](CC)C[C@H](C)CC(C)C ZINC000300876293 571999518 /nfs/dbraw/zinc/99/95/18/571999518.db2.gz IGFJXYAWGYLITD-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@@H](CC)C[C@H](C)CC(C)C ZINC000300876295 571998831 /nfs/dbraw/zinc/99/88/31/571998831.db2.gz IGFJXYAWGYLITD-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@H](CC)C[C@@H](C)CC(C)C ZINC000300876297 571997977 /nfs/dbraw/zinc/99/79/77/571997977.db2.gz IGFJXYAWGYLITD-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@@H](CC)C[C@@H](C)CC(C)C ZINC000300876298 571998702 /nfs/dbraw/zinc/99/87/02/571998702.db2.gz IGFJXYAWGYLITD-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])c1cccs1 ZINC000300878220 572007581 /nfs/dbraw/zinc/00/75/81/572007581.db2.gz FSMQCVOHWAGMLW-GXSJLCMTSA-N 1 0 197.347 3.574 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH3+])c1cccs1 ZINC000300878222 572006918 /nfs/dbraw/zinc/00/69/18/572006918.db2.gz FSMQCVOHWAGMLW-KOLCDFICSA-N 1 0 197.347 3.574 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH3+])c1cccs1 ZINC000300878224 572007992 /nfs/dbraw/zinc/00/79/92/572007992.db2.gz FSMQCVOHWAGMLW-MWLCHTKSSA-N 1 0 197.347 3.574 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])c1cccs1 ZINC000300878226 572008773 /nfs/dbraw/zinc/00/87/73/572008773.db2.gz FSMQCVOHWAGMLW-ONGXEEELSA-N 1 0 197.347 3.574 10 0 AHAERO CC(C)(C)CCC[C@H]1CCC[C@H]([NH3+])C1 ZINC000300879340 572002148 /nfs/dbraw/zinc/00/21/48/572002148.db2.gz OIBMGLWELNJENW-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CCC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300879342 572003251 /nfs/dbraw/zinc/00/32/51/572003251.db2.gz OIBMGLWELNJENW-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CCC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000300879343 572001011 /nfs/dbraw/zinc/00/10/11/572001011.db2.gz OIBMGLWELNJENW-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO C[NH2+][C@H](C)C1(CCCC(C)(C)C)CC1 ZINC000300879383 572001070 /nfs/dbraw/zinc/00/10/70/572001070.db2.gz OJNWWEFRXUVHAO-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](C)C1(CCCC(C)(C)C)CC1 ZINC000300879384 572002517 /nfs/dbraw/zinc/00/25/17/572002517.db2.gz OJNWWEFRXUVHAO-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000300880670 572005816 /nfs/dbraw/zinc/00/58/16/572005816.db2.gz OMUUONPGPPKODF-NEPJUHHUSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@H](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000300880681 572006283 /nfs/dbraw/zinc/00/62/83/572006283.db2.gz OMUUONPGPPKODF-NWDGAFQWSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@H](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000300880690 572004556 /nfs/dbraw/zinc/00/45/56/572004556.db2.gz OMUUONPGPPKODF-RYUDHWBXSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@@H](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000300880697 572005282 /nfs/dbraw/zinc/00/52/82/572005282.db2.gz OMUUONPGPPKODF-VXGBXAGGSA-N 1 0 199.382 3.966 10 0 AHAERO CC[NH2+]CC/C=C/C[C@@H](C)CC(C)C ZINC000300880947 572006865 /nfs/dbraw/zinc/00/68/65/572006865.db2.gz IVJRQMOSMPBNJG-KTRBRXNASA-N 1 0 197.366 3.615 10 0 AHAERO CC[NH2+][C@@H](C)[C@H](C)CCCC(C)(C)C ZINC000300881670 572011125 /nfs/dbraw/zinc/01/11/25/572011125.db2.gz OPJHNBIMNISXSJ-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)[C@@H](C)CCCC(C)(C)C ZINC000300881671 572009387 /nfs/dbraw/zinc/00/93/87/572009387.db2.gz OPJHNBIMNISXSJ-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](C)[C@@H](C)CCCC(C)(C)C ZINC000300881672 572009330 /nfs/dbraw/zinc/00/93/30/572009330.db2.gz OPJHNBIMNISXSJ-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)[C@H](C)CCCC(C)(C)C ZINC000300881673 572011104 /nfs/dbraw/zinc/01/11/04/572011104.db2.gz OPJHNBIMNISXSJ-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)(C)CC[C@@H]([NH3+])C1=CCCCC1 ZINC000300881725 572009167 /nfs/dbraw/zinc/00/91/67/572009167.db2.gz OQMQEXDINLTAOI-GFCCVEGCSA-N 1 0 195.350 3.640 10 0 AHAERO CC(C)(C)CC[C@H]([NH3+])C1=CCCCC1 ZINC000300881726 572009749 /nfs/dbraw/zinc/00/97/49/572009749.db2.gz OQMQEXDINLTAOI-LBPRGKRZSA-N 1 0 195.350 3.640 10 0 AHAERO CC(C)C[C@H](C)C[C@H]([NH3+])[C@@H](C)C(C)C ZINC000300882714 572012251 /nfs/dbraw/zinc/01/22/51/572012251.db2.gz JBSPATYKKSFIJE-AVGNSLFASA-N 1 0 199.382 3.678 10 0 AHAERO CC(C)C[C@H](C)C[C@@H]([NH3+])[C@@H](C)C(C)C ZINC000300882718 572011964 /nfs/dbraw/zinc/01/19/64/572011964.db2.gz JBSPATYKKSFIJE-RWMBFGLXSA-N 1 0 199.382 3.678 10 0 AHAERO CC(C)C[C@H](C)C[C@H]([NH3+])[C@H](C)C(C)C ZINC000300882721 572013469 /nfs/dbraw/zinc/01/34/69/572013469.db2.gz JBSPATYKKSFIJE-XQQFMLRXSA-N 1 0 199.382 3.678 10 0 AHAERO CC(C)C[C@H](C)C[C@@H]([NH3+])[C@H](C)C(C)C ZINC000300882724 572013041 /nfs/dbraw/zinc/01/30/41/572013041.db2.gz JBSPATYKKSFIJE-YNEHKIRRSA-N 1 0 199.382 3.678 10 0 AHAERO CC(C)C[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000300883370 572014167 /nfs/dbraw/zinc/01/41/67/572014167.db2.gz JDCWXWCNMZEMHM-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000300883372 572014075 /nfs/dbraw/zinc/01/40/75/572014075.db2.gz JDCWXWCNMZEMHM-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000300883373 572014447 /nfs/dbraw/zinc/01/44/47/572014447.db2.gz JDCWXWCNMZEMHM-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000300883375 572014394 /nfs/dbraw/zinc/01/43/94/572014394.db2.gz JDCWXWCNMZEMHM-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[C@H](C)C[C@]1([NH3+])CC[C@@H](C)C1 ZINC000300884331 572019041 /nfs/dbraw/zinc/01/90/41/572019041.db2.gz JGNPNPJDERASLT-AGIUHOORSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@H](C)CCC[NH2+]C(C)(C)C ZINC000300884706 572021622 /nfs/dbraw/zinc/02/16/22/572021622.db2.gz SMIBMIIBBGINGJ-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)C[C@H](C)C[C@]1([NH3+])CC[C@H](C)C1 ZINC000300885289 572017048 /nfs/dbraw/zinc/01/70/48/572017048.db2.gz JGNPNPJDERASLT-AVGNSLFASA-N 1 0 197.366 3.576 10 0 AHAERO CCCCCC[NH2+]CCCC(C)(C)C ZINC000300886969 572018056 /nfs/dbraw/zinc/01/80/56/572018056.db2.gz PFFIVOJKMUCVBV-UHFFFAOYSA-N 1 0 199.382 3.983 10 0 AHAERO CC(C)C[C@H](C)C[C@]1(C)CC[C@H]([NH3+])C1 ZINC000300887960 572021918 /nfs/dbraw/zinc/02/19/18/572021918.db2.gz JOLUMDDBCDLPEN-AVGNSLFASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@H](C)C[C@]1(C)CC[C@@H]([NH3+])C1 ZINC000300887968 572022577 /nfs/dbraw/zinc/02/25/77/572022577.db2.gz JOLUMDDBCDLPEN-XQQFMLRXSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@H](C)C[C@@]1(C)CC[C@@H]([NH3+])C1 ZINC000300887972 572023053 /nfs/dbraw/zinc/02/30/53/572023053.db2.gz JOLUMDDBCDLPEN-YNEHKIRRSA-N 1 0 197.366 3.576 10 0 AHAERO CCC([NH3+])(CC)CCCC(C)(C)C ZINC000300889259 572023949 /nfs/dbraw/zinc/02/39/49/572023949.db2.gz PLVZXSUXNAOCRQ-UHFFFAOYSA-N 1 0 185.355 3.720 10 0 AHAERO C[NH2+][C@H](CCC(C)(C)C)C1=CCCC1 ZINC000300889276 572023812 /nfs/dbraw/zinc/02/38/12/572023812.db2.gz PLZOGIHOIUGGCZ-GFCCVEGCSA-N 1 0 195.350 3.511 10 0 AHAERO C[NH2+][C@@H](CCC(C)(C)C)C1=CCCC1 ZINC000300889278 572023190 /nfs/dbraw/zinc/02/31/90/572023190.db2.gz PLZOGIHOIUGGCZ-LBPRGKRZSA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)[C@H]([NH3+])CCCCCC(C)(C)C ZINC000300890305 572029289 /nfs/dbraw/zinc/02/92/89/572029289.db2.gz PPVHRWFEMYZNDO-GFCCVEGCSA-N 1 0 199.382 3.966 10 0 AHAERO CCC(CC)(C[NH3+])CCCC(C)(C)C ZINC000300892310 572025345 /nfs/dbraw/zinc/02/53/45/572025345.db2.gz PXQXHLBSIKWHQZ-UHFFFAOYSA-N 1 0 199.382 3.968 10 0 AHAERO CCC(CC)[C@@H]([NH3+])C[C@@H](C)CC(C)C ZINC000300892718 572025102 /nfs/dbraw/zinc/02/51/02/572025102.db2.gz KBRKUMWOBKWUHO-AAEUAGOBSA-N 1 0 199.382 3.822 10 0 AHAERO CCC(CC)[C@H]([NH3+])C[C@H](C)CC(C)C ZINC000300892719 572026178 /nfs/dbraw/zinc/02/61/78/572026178.db2.gz KBRKUMWOBKWUHO-DGCLKSJQSA-N 1 0 199.382 3.822 10 0 AHAERO CCC(CC)[C@@H]([NH3+])C[C@H](C)CC(C)C ZINC000300893421 572025752 /nfs/dbraw/zinc/02/57/52/572025752.db2.gz KBRKUMWOBKWUHO-YPMHNXCESA-N 1 0 199.382 3.822 10 0 AHAERO CCCC[C@H](C)[C@H](CC1CC1)[NH2+]CC ZINC000300895780 572028356 /nfs/dbraw/zinc/02/83/56/572028356.db2.gz IFXURHGJABHOQX-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](C)[C@@H](CC1CC1)[NH2+]CC ZINC000300895782 572027963 /nfs/dbraw/zinc/02/79/63/572027963.db2.gz IFXURHGJABHOQX-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](C)[C@H](CC1CC1)[NH2+]CC ZINC000300895785 572028303 /nfs/dbraw/zinc/02/83/03/572028303.db2.gz IFXURHGJABHOQX-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH2+]C)[C@H](C)CCC ZINC000300896142 572028429 /nfs/dbraw/zinc/02/84/29/572028429.db2.gz IHGOAHDZUPURHL-AGIUHOORSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH2+]C)[C@@H](C)CCC ZINC000300896144 572027650 /nfs/dbraw/zinc/02/76/50/572027650.db2.gz IHGOAHDZUPURHL-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@H]([NH2+]C)[C@H](C)CCC ZINC000300896146 572028943 /nfs/dbraw/zinc/02/89/43/572028943.db2.gz IHGOAHDZUPURHL-FRRDWIJNSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](CCCC(C)(C)C)C[NH2+]C ZINC000300896420 572028940 /nfs/dbraw/zinc/02/89/40/572028940.db2.gz QHTUYCUEEQTPNE-LBPRGKRZSA-N 1 0 199.382 3.839 10 0 AHAERO CC(C)C[C@@H](C)C[C@@H](C)C[NH2+]C(C)C ZINC000300897162 572033905 /nfs/dbraw/zinc/03/39/05/572033905.db2.gz KMHSTOXRGGXLRV-CHWSQXEVSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[C@@H](C)C[C@H](C)C[NH2+]C(C)C ZINC000300897164 572034001 /nfs/dbraw/zinc/03/40/01/572034001.db2.gz KMHSTOXRGGXLRV-OLZOCXBDSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[C@H](C)C[C@@H](C)C[NH2+]C(C)C ZINC000300897165 572034220 /nfs/dbraw/zinc/03/42/20/572034220.db2.gz KMHSTOXRGGXLRV-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[C@H](C)C[C@H](C)C[NH2+]C(C)C ZINC000300897166 572034326 /nfs/dbraw/zinc/03/43/26/572034326.db2.gz KMHSTOXRGGXLRV-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])C[C@@H](C)CC(C)C ZINC000300897174 572034593 /nfs/dbraw/zinc/03/45/93/572034593.db2.gz KMLNBLGGTMBYBQ-AVGNSLFASA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@H](C)C[C@@H]([NH3+])C[C@@H](C)CC(C)C ZINC000300897176 572033064 /nfs/dbraw/zinc/03/30/64/572033064.db2.gz KMLNBLGGTMBYBQ-RWMBFGLXSA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])C[C@H](C)CC(C)C ZINC000300897177 572033243 /nfs/dbraw/zinc/03/32/43/572033243.db2.gz KMLNBLGGTMBYBQ-XQQFMLRXSA-N 1 0 199.382 3.822 10 0 AHAERO CCCCC[C@@H]([NH3+])C[C@H](C)CC(C)C ZINC000300899045 572034100 /nfs/dbraw/zinc/03/41/00/572034100.db2.gz KRNFIGAQDWVNEZ-CHWSQXEVSA-N 1 0 199.382 3.966 10 0 AHAERO CCCCC[C@H]([NH3+])C[C@H](C)CC(C)C ZINC000300899048 572034956 /nfs/dbraw/zinc/03/49/56/572034956.db2.gz KRNFIGAQDWVNEZ-OLZOCXBDSA-N 1 0 199.382 3.966 10 0 AHAERO CCCCC[C@@H]([NH3+])C[C@@H](C)CC(C)C ZINC000300899050 572034509 /nfs/dbraw/zinc/03/45/09/572034509.db2.gz KRNFIGAQDWVNEZ-QWHCGFSZSA-N 1 0 199.382 3.966 10 0 AHAERO CC(C)CC[C@H]([NH3+])CCCC(C)(C)C ZINC000300900510 572035460 /nfs/dbraw/zinc/03/54/60/572035460.db2.gz QTXMRZRXYIEPCQ-GFCCVEGCSA-N 1 0 199.382 3.966 10 0 AHAERO CC(C)CC[C@@H]([NH3+])CCCC(C)(C)C ZINC000300900511 572035702 /nfs/dbraw/zinc/03/57/02/572035702.db2.gz QTXMRZRXYIEPCQ-LBPRGKRZSA-N 1 0 199.382 3.966 10 0 AHAERO CCCCCC[NH2+]C[C@H](C)CC(C)C ZINC000300901587 572036979 /nfs/dbraw/zinc/03/69/79/572036979.db2.gz KYHKBJGWEWHJJY-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@@H](C)[C@@H](CCC)[NH2+]CCC ZINC000300902839 572040459 /nfs/dbraw/zinc/04/04/59/572040459.db2.gz JDLVMVRSFLABDG-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](C)[C@@H](CCC)[NH2+]CCC ZINC000300902842 572040857 /nfs/dbraw/zinc/04/08/57/572040857.db2.gz JDLVMVRSFLABDG-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](C)[C@H](CCC)[NH2+]CCC ZINC000300902843 572039518 /nfs/dbraw/zinc/03/95/18/572039518.db2.gz JDLVMVRSFLABDG-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CC(C)C[C@H](C)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000300905820 572036999 /nfs/dbraw/zinc/03/69/99/572036999.db2.gz LKDDSUCDMMBMLG-AVGNSLFASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@H](C)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000300905824 572038243 /nfs/dbraw/zinc/03/82/43/572038243.db2.gz LKDDSUCDMMBMLG-RWMBFGLXSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@H](C)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000300905827 572036407 /nfs/dbraw/zinc/03/64/07/572036407.db2.gz LKDDSUCDMMBMLG-XQQFMLRXSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@H](C)C[C@H]1CCCC[C@H]1[NH3+] ZINC000300905830 572037259 /nfs/dbraw/zinc/03/72/59/572037259.db2.gz LKDDSUCDMMBMLG-YNEHKIRRSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]1CC[C@H](CCCC(C)(C)C)C[NH2+]1 ZINC000300907153 572039361 /nfs/dbraw/zinc/03/93/61/572039361.db2.gz RMNNQASCEYFUKR-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CC[C@@H](CCCC(C)(C)C)C[NH2+]1 ZINC000300907158 572040369 /nfs/dbraw/zinc/04/03/69/572040369.db2.gz RMNNQASCEYFUKR-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H]1CC[C@H](CCCC(C)(C)C)C[NH2+]1 ZINC000300907168 572039843 /nfs/dbraw/zinc/03/98/43/572039843.db2.gz RMNNQASCEYFUKR-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CC[C@@H](CCCC(C)(C)C)C[NH2+]1 ZINC000300907178 572040902 /nfs/dbraw/zinc/04/09/02/572040902.db2.gz RMNNQASCEYFUKR-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C=C(C)C)CCC(C)(C)C ZINC000300909045 572041874 /nfs/dbraw/zinc/04/18/74/572041874.db2.gz RQSNAOJDZUFZRU-GFCCVEGCSA-N 1 0 197.366 3.757 10 0 AHAERO CC[NH2+][C@H](C=C(C)C)CCC(C)(C)C ZINC000300909046 572041822 /nfs/dbraw/zinc/04/18/22/572041822.db2.gz RQSNAOJDZUFZRU-LBPRGKRZSA-N 1 0 197.366 3.757 10 0 AHAERO CC(C)[C@H](CCCC(C)(C)C)[C@@H](C)[NH3+] ZINC000300909068 572041950 /nfs/dbraw/zinc/04/19/50/572041950.db2.gz RRSBUXJTUSUGEF-NEPJUHHUSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)[C@@H](CCCC(C)(C)C)[C@H](C)[NH3+] ZINC000300909069 572042723 /nfs/dbraw/zinc/04/27/23/572042723.db2.gz RRSBUXJTUSUGEF-NWDGAFQWSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)[C@H](CCCC(C)(C)C)[C@H](C)[NH3+] ZINC000300909070 572041844 /nfs/dbraw/zinc/04/18/44/572041844.db2.gz RRSBUXJTUSUGEF-RYUDHWBXSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)[C@@H](CCCC(C)(C)C)[C@@H](C)[NH3+] ZINC000300909071 572043594 /nfs/dbraw/zinc/04/35/94/572043594.db2.gz RRSBUXJTUSUGEF-VXGBXAGGSA-N 1 0 199.382 3.822 10 0 AHAERO CC[NH2+]CC(C)(C)CCCC(C)(C)C ZINC000300909934 572042150 /nfs/dbraw/zinc/04/21/50/572042150.db2.gz RUCLZSSBPSOELA-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CC(C)C[C@@H](C)C[C@](C)(C[NH3+])C(C)C ZINC000300911112 572042249 /nfs/dbraw/zinc/04/22/49/572042249.db2.gz LXQLAPRPCWPHBC-CHWSQXEVSA-N 1 0 199.382 3.680 10 0 AHAERO CC(C)C[C@@H](C)C[C@@](C)(C[NH3+])C(C)C ZINC000300911115 572043507 /nfs/dbraw/zinc/04/35/07/572043507.db2.gz LXQLAPRPCWPHBC-OLZOCXBDSA-N 1 0 199.382 3.680 10 0 AHAERO CC(C)C[C@H](C)C[C@](C)(C[NH3+])C(C)C ZINC000300911119 572042877 /nfs/dbraw/zinc/04/28/77/572042877.db2.gz LXQLAPRPCWPHBC-QWHCGFSZSA-N 1 0 199.382 3.680 10 0 AHAERO CC(C)C[C@H](C)C[C@@](C)(C[NH3+])C(C)C ZINC000300911122 572042517 /nfs/dbraw/zinc/04/25/17/572042517.db2.gz LXQLAPRPCWPHBC-STQMWFEESA-N 1 0 199.382 3.680 10 0 AHAERO CC(C)C[NH2+]CCC[C@@H](C)CC(C)C ZINC000300912446 572042824 /nfs/dbraw/zinc/04/28/24/572042824.db2.gz LZGQRZFVTUCMJP-CYBMUJFWSA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)C[NH2+]CCC[C@H](C)CC(C)C ZINC000300912452 572043757 /nfs/dbraw/zinc/04/37/57/572043757.db2.gz LZGQRZFVTUCMJP-ZDUSSCGKSA-N 1 0 199.382 3.694 10 0 AHAERO CCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC000300913077 572042827 /nfs/dbraw/zinc/04/28/27/572042827.db2.gz SHPRLHKRXPSCNL-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC(C)(C)C[NH2+]C[C@H](C)CC(C)C ZINC000300917140 572048379 /nfs/dbraw/zinc/04/83/79/572048379.db2.gz MOKFRHASANGDHH-GFCCVEGCSA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)(C)CCC([NH3+])CCC(C)(C)C ZINC000300917497 572046786 /nfs/dbraw/zinc/04/67/86/572046786.db2.gz SSEXVRZMEIHGJE-UHFFFAOYSA-N 1 0 199.382 3.966 10 0 AHAERO CCC(C)(C)C[NH2+]C[C@@H](C)CC(C)C ZINC000300917957 572045214 /nfs/dbraw/zinc/04/52/14/572045214.db2.gz MOKFRHASANGDHH-LBPRGKRZSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@H](CC[C@@H](C)CC(C)C)[NH2+]C ZINC000300918063 572051323 /nfs/dbraw/zinc/05/13/23/572051323.db2.gz MPKMOBSBWVQYPG-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](CC[C@@H](C)CC(C)C)[NH2+]C ZINC000300918065 572050727 /nfs/dbraw/zinc/05/07/27/572050727.db2.gz MPKMOBSBWVQYPG-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](CC[C@H](C)CC(C)C)[NH2+]C ZINC000300918067 572051305 /nfs/dbraw/zinc/05/13/05/572051305.db2.gz MPKMOBSBWVQYPG-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](CC[C@H](C)CC(C)C)[NH2+]C ZINC000300918069 572051393 /nfs/dbraw/zinc/05/13/93/572051393.db2.gz MPKMOBSBWVQYPG-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C[C@H](C)CC(C)C)[NH2+]CC ZINC000300918939 572048056 /nfs/dbraw/zinc/04/80/56/572048056.db2.gz MQTYQIVITSSWPN-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C[C@H](C)CC(C)C)[NH2+]CC ZINC000300918940 572048826 /nfs/dbraw/zinc/04/88/26/572048826.db2.gz MQTYQIVITSSWPN-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C[C@@H](C)CC(C)C)[NH2+]CC ZINC000300918942 572046637 /nfs/dbraw/zinc/04/66/37/572046637.db2.gz MQTYQIVITSSWPN-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C[C@@H](C)CC(C)C)[NH2+]CC ZINC000300918943 572047256 /nfs/dbraw/zinc/04/72/56/572047256.db2.gz MQTYQIVITSSWPN-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO C[C@@H]1CCC[C@@H](CCCC(C)(C)C)[NH2+]1 ZINC000300919754 572055598 /nfs/dbraw/zinc/05/55/98/572055598.db2.gz SXEURBXSSIAESI-NEPJUHHUSA-N 1 0 197.366 3.733 10 0 AHAERO C[C@H]1CCC[C@H](CCCC(C)(C)C)[NH2+]1 ZINC000300919755 572055922 /nfs/dbraw/zinc/05/59/22/572055922.db2.gz SXEURBXSSIAESI-NWDGAFQWSA-N 1 0 197.366 3.733 10 0 AHAERO C[C@H]1CCC[C@@H](CCCC(C)(C)C)[NH2+]1 ZINC000300919756 572054155 /nfs/dbraw/zinc/05/41/55/572054155.db2.gz SXEURBXSSIAESI-RYUDHWBXSA-N 1 0 197.366 3.733 10 0 AHAERO C[C@@H]1CCC[C@H](CCCC(C)(C)C)[NH2+]1 ZINC000300919757 572054858 /nfs/dbraw/zinc/05/48/58/572054858.db2.gz SXEURBXSSIAESI-VXGBXAGGSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[NH2+]CCC1CCCCCCC1 ZINC000300921218 572053472 /nfs/dbraw/zinc/05/34/72/572053472.db2.gz ZNGQMJKNXOXWSB-UHFFFAOYSA-N 1 0 197.366 3.737 10 0 AHAERO CC[NH2+]C/C=C/C1CCCCCCC1 ZINC000300922283 572060117 /nfs/dbraw/zinc/06/01/17/572060117.db2.gz ZPUYBDDSFFJBRO-DHZHZOJOSA-N 1 0 195.350 3.513 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH2+]CCC)C(C)C ZINC000300922698 572059100 /nfs/dbraw/zinc/05/91/00/572059100.db2.gz LMBWDSWBHGHHSS-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH2+]CCC)C(C)C ZINC000300922702 572060492 /nfs/dbraw/zinc/06/04/92/572060492.db2.gz LMBWDSWBHGHHSS-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@H]([NH2+]CCC)C(C)C ZINC000300922705 572060061 /nfs/dbraw/zinc/06/00/61/572060061.db2.gz LMBWDSWBHGHHSS-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH2+]CCC)C(C)C ZINC000300922707 572060829 /nfs/dbraw/zinc/06/08/29/572060829.db2.gz LMBWDSWBHGHHSS-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](CCC1CCCC1)[C@H](C)[NH2+]C ZINC000300923699 572063922 /nfs/dbraw/zinc/06/39/22/572063922.db2.gz ZVFNJOUBMLSTBO-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](CCC1CCCC1)[C@@H](C)[NH2+]C ZINC000300923702 572064795 /nfs/dbraw/zinc/06/47/95/572064795.db2.gz ZVFNJOUBMLSTBO-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](CCC1CCCC1)[C@H](C)[NH2+]C ZINC000300923706 572064063 /nfs/dbraw/zinc/06/40/63/572064063.db2.gz ZVFNJOUBMLSTBO-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](CCC1CCCC1)[C@@H](C)[NH2+]C ZINC000300923709 572064436 /nfs/dbraw/zinc/06/44/36/572064436.db2.gz ZVFNJOUBMLSTBO-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](CCCC(C)(C)C)C1CCC1 ZINC000300924962 572067452 /nfs/dbraw/zinc/06/74/52/572067452.db2.gz UGVNOFAAOMKQHJ-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]([NH2+]C)[C@H](C)CCCC(C)(C)C ZINC000300926304 572070553 /nfs/dbraw/zinc/07/05/53/572070553.db2.gz UMURRXSXDKXGKK-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H]([NH2+]C)[C@@H](C)CCCC(C)(C)C ZINC000300926305 572068758 /nfs/dbraw/zinc/06/87/58/572068758.db2.gz UMURRXSXDKXGKK-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H]([NH2+]C)[C@@H](C)CCCC(C)(C)C ZINC000300926306 572070406 /nfs/dbraw/zinc/07/04/06/572070406.db2.gz UMURRXSXDKXGKK-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H]([NH2+]C)[C@H](C)CCCC(C)(C)C ZINC000300926307 572068724 /nfs/dbraw/zinc/06/87/24/572068724.db2.gz UMURRXSXDKXGKK-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@](C)(C[NH3+])C[C@H](C)CC(C)C ZINC000300926566 572069201 /nfs/dbraw/zinc/06/92/01/572069201.db2.gz NJOWSXKKNFHZGE-CHWSQXEVSA-N 1 0 199.382 3.824 10 0 AHAERO CCC[C@](C)(C[NH3+])C[C@H](C)CC(C)C ZINC000300926567 572069828 /nfs/dbraw/zinc/06/98/28/572069828.db2.gz NJOWSXKKNFHZGE-OLZOCXBDSA-N 1 0 199.382 3.824 10 0 AHAERO CC(C)(C)CCCC1(C[NH3+])CCCC1 ZINC000300927232 572077772 /nfs/dbraw/zinc/07/77/72/572077772.db2.gz UNSILJTVQSQXKK-UHFFFAOYSA-N 1 0 197.366 3.722 10 0 AHAERO C[NH2+][C@H](CCC1CC1)CCC(C)(C)C ZINC000300927274 572076007 /nfs/dbraw/zinc/07/60/07/572076007.db2.gz UOUKODOJKHABOM-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](CCC1CC1)CCC(C)(C)C ZINC000300927275 572077920 /nfs/dbraw/zinc/07/79/20/572077920.db2.gz UOUKODOJKHABOM-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](CCCC(C)(C)C)[C@@H](C)[NH2+]C ZINC000300928230 572074183 /nfs/dbraw/zinc/07/41/83/572074183.db2.gz URGIHUNMUXRMGV-NEPJUHHUSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](CCCC(C)(C)C)[C@H](C)[NH2+]C ZINC000300928233 572074213 /nfs/dbraw/zinc/07/42/13/572074213.db2.gz URGIHUNMUXRMGV-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](CCCC(C)(C)C)[C@H](C)[NH2+]C ZINC000300928236 572075789 /nfs/dbraw/zinc/07/57/89/572075789.db2.gz URGIHUNMUXRMGV-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](CCCC(C)(C)C)[C@@H](C)[NH2+]C ZINC000300928240 572075226 /nfs/dbraw/zinc/07/52/26/572075226.db2.gz URGIHUNMUXRMGV-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CC)CC[C@@H](C)CC(C)C ZINC000300929541 572082407 /nfs/dbraw/zinc/08/24/07/572082407.db2.gz NOQXXSCTGPPACP-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC)CC[C@@H](C)CC(C)C ZINC000300929544 572081185 /nfs/dbraw/zinc/08/11/85/572081185.db2.gz NOQXXSCTGPPACP-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](CC)CC[C@H](C)CC(C)C ZINC000300929546 572080997 /nfs/dbraw/zinc/08/09/97/572080997.db2.gz NOQXXSCTGPPACP-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC)CC[C@H](C)CC(C)C ZINC000300929549 572082056 /nfs/dbraw/zinc/08/20/56/572082056.db2.gz NOQXXSCTGPPACP-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)C[C@@H](C)C[NH2+][C@H](C)CC(C)C ZINC000300933563 572096476 /nfs/dbraw/zinc/09/64/76/572096476.db2.gz OADPKBYZZUWPKL-CHWSQXEVSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[C@@H](C)C[NH2+][C@@H](C)CC(C)C ZINC000300933564 572095880 /nfs/dbraw/zinc/09/58/80/572095880.db2.gz OADPKBYZZUWPKL-OLZOCXBDSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[C@@H](C)[NH2+]C[C@@H](C)CC(C)C ZINC000300933565 572095491 /nfs/dbraw/zinc/09/54/91/572095491.db2.gz OADPKBYZZUWPKL-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[C@H](C)C[NH2+][C@@H](C)CC(C)C ZINC000300933566 572096040 /nfs/dbraw/zinc/09/60/40/572096040.db2.gz OADPKBYZZUWPKL-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](CCCC(C)(C)C)CC1CC1 ZINC000300933985 572090551 /nfs/dbraw/zinc/09/05/51/572090551.db2.gz VHWLESRXYFMIIX-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](CCCC(C)(C)C)CC1CC1 ZINC000300933991 572090072 /nfs/dbraw/zinc/09/00/72/572090072.db2.gz VHWLESRXYFMIIX-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](C[C@H](C)CC(C)C)C(C)(C)C ZINC000300934483 572090355 /nfs/dbraw/zinc/09/03/55/572090355.db2.gz OBJKEPWELSZAJB-NEPJUHHUSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](C[C@@H](C)CC(C)C)C(C)(C)C ZINC000300934485 572090094 /nfs/dbraw/zinc/09/00/94/572090094.db2.gz OBJKEPWELSZAJB-NWDGAFQWSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@@H](C[C@@H](C)CC(C)C)C(C)(C)C ZINC000300934487 572091409 /nfs/dbraw/zinc/09/14/09/572091409.db2.gz OBJKEPWELSZAJB-RYUDHWBXSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](C[C@H](C)CC(C)C)C(C)(C)C ZINC000300934489 572091266 /nfs/dbraw/zinc/09/12/66/572091266.db2.gz OBJKEPWELSZAJB-VXGBXAGGSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@](C)([NH3+])C[C@H](C)CC(C)C ZINC000300934570 572090722 /nfs/dbraw/zinc/09/07/22/572090722.db2.gz OCXJMGQALLOLPM-NEPJUHHUSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@](C)([NH3+])C[C@@H](C)CC(C)C ZINC000300934571 572089787 /nfs/dbraw/zinc/08/97/87/572089787.db2.gz OCXJMGQALLOLPM-NWDGAFQWSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@](C)([NH3+])C[C@@H](C)CC(C)C ZINC000300934572 572090635 /nfs/dbraw/zinc/09/06/35/572090635.db2.gz OCXJMGQALLOLPM-RYUDHWBXSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@](C)([NH3+])C[C@H](C)CC(C)C ZINC000300934573 572089997 /nfs/dbraw/zinc/08/99/97/572089997.db2.gz OCXJMGQALLOLPM-VXGBXAGGSA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)C[C@H](C)CCCC[NH2+]C1CC1 ZINC000300937636 572106557 /nfs/dbraw/zinc/10/65/57/572106557.db2.gz OKPRWGGXBCRNMN-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[C@@H](C)CCCC[NH2+]C1CC1 ZINC000300937639 572105844 /nfs/dbraw/zinc/10/58/44/572105844.db2.gz OKPRWGGXBCRNMN-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+]CCCCCCC(C)(C)C ZINC000300937997 572106013 /nfs/dbraw/zinc/10/60/13/572106013.db2.gz VVIXHAZIYKLLMS-UHFFFAOYSA-N 1 0 185.355 3.593 10 0 AHAERO C[NH2+]C[C@H](CCCC(C)(C)C)C(C)C ZINC000300938058 572105431 /nfs/dbraw/zinc/10/54/31/572105431.db2.gz VVYAYBCEUDJYCB-LBPRGKRZSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@@H](C)CCCCC(C)(C)C ZINC000300939286 572108914 /nfs/dbraw/zinc/10/89/14/572108914.db2.gz VYVXVKDRRITANG-LBPRGKRZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC(C)(C)[C@@H]([NH3+])C[C@H](C)CC(C)C ZINC000300940083 572111625 /nfs/dbraw/zinc/11/16/25/572111625.db2.gz OQHNIEGWMJYFOH-NEPJUHHUSA-N 1 0 199.382 3.822 10 0 AHAERO CCC(C)(C)[C@H]([NH3+])C[C@@H](C)CC(C)C ZINC000300940085 572112620 /nfs/dbraw/zinc/11/26/20/572112620.db2.gz OQHNIEGWMJYFOH-NWDGAFQWSA-N 1 0 199.382 3.822 10 0 AHAERO CCC(C)(C)[C@H]([NH3+])C[C@H](C)CC(C)C ZINC000300940088 572110783 /nfs/dbraw/zinc/11/07/83/572110783.db2.gz OQHNIEGWMJYFOH-VXGBXAGGSA-N 1 0 199.382 3.822 10 0 AHAERO CCCC[C@H](C)[C@H](CC1CCC1)[NH2+]C ZINC000300940304 572111414 /nfs/dbraw/zinc/11/14/14/572111414.db2.gz NRPBJNUCUNFICV-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](C)[C@@H](CC1CCC1)[NH2+]C ZINC000300940306 572111515 /nfs/dbraw/zinc/11/15/15/572111515.db2.gz NRPBJNUCUNFICV-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[C@@H](CC1CCC1)[NH2+]C ZINC000300940307 572111659 /nfs/dbraw/zinc/11/16/59/572111659.db2.gz NRPBJNUCUNFICV-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](C)[C@H](CC1CCC1)[NH2+]C ZINC000300940309 572111632 /nfs/dbraw/zinc/11/16/32/572111632.db2.gz NRPBJNUCUNFICV-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH3+])c1ccsc1 ZINC000300940427 572112185 /nfs/dbraw/zinc/11/21/85/572112185.db2.gz NSPROTHVMRKDQU-KOLCDFICSA-N 1 0 197.347 3.574 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH3+])c1ccsc1 ZINC000300940431 572112177 /nfs/dbraw/zinc/11/21/77/572112177.db2.gz NSPROTHVMRKDQU-MWLCHTKSSA-N 1 0 197.347 3.574 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])c1ccsc1 ZINC000300940434 572111188 /nfs/dbraw/zinc/11/11/88/572111188.db2.gz NSPROTHVMRKDQU-ONGXEEELSA-N 1 0 197.347 3.574 10 0 AHAERO CCC[C@@H]([NH3+])CCC[C@@H](C)CC(C)C ZINC000300941038 572114076 /nfs/dbraw/zinc/11/40/76/572114076.db2.gz OTAXEJWXZRGDJZ-CHWSQXEVSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@@H]([NH3+])CCC[C@H](C)CC(C)C ZINC000300941040 572115180 /nfs/dbraw/zinc/11/51/80/572115180.db2.gz OTAXEJWXZRGDJZ-QWHCGFSZSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@H]([NH3+])CCC[C@H](C)CC(C)C ZINC000300941041 572112974 /nfs/dbraw/zinc/11/29/74/572112974.db2.gz OTAXEJWXZRGDJZ-STQMWFEESA-N 1 0 199.382 3.966 10 0 AHAERO CC[C@H](C[C@H](C)CC(C)C)[C@H](C)[NH2+]C ZINC000300941933 572111144 /nfs/dbraw/zinc/11/11/44/572111144.db2.gz OTUUMUFWVKNFMK-FRRDWIJNSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C[C@H](C)CC(C)C)[C@@H](C)[NH2+]C ZINC000300941935 572110686 /nfs/dbraw/zinc/11/06/86/572110686.db2.gz OTUUMUFWVKNFMK-JHJVBQTASA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C[C@@H](C)CC(C)C)[C@H](C)[NH2+]C ZINC000300941939 572111557 /nfs/dbraw/zinc/11/15/57/572111557.db2.gz OTUUMUFWVKNFMK-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C[C@@H](C)CC(C)C)[C@@H](C)[NH2+]C ZINC000300941943 572111769 /nfs/dbraw/zinc/11/17/69/572111769.db2.gz OTUUMUFWVKNFMK-YNEHKIRRSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)C(C)C ZINC000300942795 572114487 /nfs/dbraw/zinc/11/44/87/572114487.db2.gz OWMHZOYULLRQPF-CHWSQXEVSA-N 1 0 199.382 3.550 10 0 AHAERO CC(C)C[C@H](C)C[NH2+]C[C@@H](C)C(C)C ZINC000300942800 572113995 /nfs/dbraw/zinc/11/39/95/572113995.db2.gz OWMHZOYULLRQPF-QWHCGFSZSA-N 1 0 199.382 3.550 10 0 AHAERO CC(C)C[C@H](C)C[NH2+]C[C@H](C)C(C)C ZINC000300942801 572114798 /nfs/dbraw/zinc/11/47/98/572114798.db2.gz OWMHZOYULLRQPF-STQMWFEESA-N 1 0 199.382 3.550 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])C[C@H](C)CC ZINC000300943025 572114956 /nfs/dbraw/zinc/11/49/56/572114956.db2.gz OAMVZNBSCNJJBF-GRYCIOLGSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])C[C@@H](C)CC ZINC000300943029 572114228 /nfs/dbraw/zinc/11/42/28/572114228.db2.gz OAMVZNBSCNJJBF-SRVKXCTJSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@](C)(CCCC(C)(C)C)C[NH2+]C ZINC000300943486 572115021 /nfs/dbraw/zinc/11/50/21/572115021.db2.gz WJZLNGVCRGVCTD-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CC[C@@](C)(CCCC(C)(C)C)C[NH2+]C ZINC000300943488 572113594 /nfs/dbraw/zinc/11/35/94/572113594.db2.gz WJZLNGVCRGVCTD-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CC(C)(C)CCC[C@H]1CCCC[NH2+]C1 ZINC000300944369 572113223 /nfs/dbraw/zinc/11/32/23/572113223.db2.gz WLVBLAYLZAUWAC-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)(C)CCC[C@@H]1CCCC[NH2+]C1 ZINC000300944371 572114206 /nfs/dbraw/zinc/11/42/06/572114206.db2.gz WLVBLAYLZAUWAC-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)C[C@H](C)C[C@H]([NH3+])CC1CCC1 ZINC000300946977 572120507 /nfs/dbraw/zinc/12/05/07/572120507.db2.gz PHJGTLYHMFQTHO-AAEUAGOBSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@H](C)C[C@@H]([NH3+])CC1CCC1 ZINC000300946980 572120492 /nfs/dbraw/zinc/12/04/92/572120492.db2.gz PHJGTLYHMFQTHO-DGCLKSJQSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@H](C)C[C@@H]([NH3+])CC1CCC1 ZINC000300946983 572120822 /nfs/dbraw/zinc/12/08/22/572120822.db2.gz PHJGTLYHMFQTHO-WCQYABFASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@H](C)C[C@H]([NH3+])CC1CCC1 ZINC000300946986 572120894 /nfs/dbraw/zinc/12/08/94/572120894.db2.gz PHJGTLYHMFQTHO-YPMHNXCESA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])CC(CC)CC ZINC000300948509 572123476 /nfs/dbraw/zinc/12/34/76/572123476.db2.gz OTFZVCJCTPDANQ-AAEUAGOBSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH3+])CC(CC)CC ZINC000300948511 572122107 /nfs/dbraw/zinc/12/21/07/572122107.db2.gz OTFZVCJCTPDANQ-DGCLKSJQSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])CC(CC)CC ZINC000300948512 572123466 /nfs/dbraw/zinc/12/34/66/572123466.db2.gz OTFZVCJCTPDANQ-WCQYABFASA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH3+])CC(CC)CC ZINC000300948514 572123245 /nfs/dbraw/zinc/12/32/45/572123245.db2.gz OTFZVCJCTPDANQ-YPMHNXCESA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@@H](CC)[NH2+]C[C@H](C)CC(C)C ZINC000300950611 572129500 /nfs/dbraw/zinc/12/95/00/572129500.db2.gz PPIKFGXJJVWLPO-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](C)[NH2+]C[C@H](C)CC(C)C ZINC000300950675 572128374 /nfs/dbraw/zinc/12/83/74/572128374.db2.gz PPNPZQZZFLMNNB-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[NH2+]C[C@H](C)CC(C)C ZINC000300950680 572127882 /nfs/dbraw/zinc/12/78/82/572127882.db2.gz PPNPZQZZFLMNNB-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](C)[NH2+]C[C@@H](C)CC(C)C ZINC000300950683 572129319 /nfs/dbraw/zinc/12/93/19/572129319.db2.gz PPNPZQZZFLMNNB-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[NH2+]C[C@@H](C)CC(C)C ZINC000300950688 572129435 /nfs/dbraw/zinc/12/94/35/572129435.db2.gz PPNPZQZZFLMNNB-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C[C@H](C)CC(C)C)[NH2+]C ZINC000300950692 572129981 /nfs/dbraw/zinc/12/99/81/572129981.db2.gz PPNZGHAXLYPABM-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](C[C@H](C)CC(C)C)[NH2+]C ZINC000300950695 572129661 /nfs/dbraw/zinc/12/96/61/572129661.db2.gz PPNZGHAXLYPABM-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C[C@@H](C)CC(C)C)[NH2+]C ZINC000300950700 572130061 /nfs/dbraw/zinc/13/00/61/572130061.db2.gz PPNZGHAXLYPABM-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](C[C@@H](C)CC(C)C)[NH2+]C ZINC000300950703 572128844 /nfs/dbraw/zinc/12/88/44/572128844.db2.gz PPNZGHAXLYPABM-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)(C)CCCCC[C@@H]([NH3+])C1CC1 ZINC000300951944 572128932 /nfs/dbraw/zinc/12/89/32/572128932.db2.gz XJAORUJCQIRULQ-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CCCCC[C@H]([NH3+])C1CC1 ZINC000300951945 572128601 /nfs/dbraw/zinc/12/86/01/572128601.db2.gz XJAORUJCQIRULQ-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH3+])CCC(C)C ZINC000300952065 572130877 /nfs/dbraw/zinc/13/08/77/572130877.db2.gz PCXJQLDDNBNNAO-NEPJUHHUSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])CCC(C)C ZINC000300952067 572132481 /nfs/dbraw/zinc/13/24/81/572132481.db2.gz PCXJQLDDNBNNAO-NWDGAFQWSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])CCC(C)C ZINC000300952068 572131377 /nfs/dbraw/zinc/13/13/77/572131377.db2.gz PCXJQLDDNBNNAO-RYUDHWBXSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH3+])CCC(C)C ZINC000300952070 572131212 /nfs/dbraw/zinc/13/12/12/572131212.db2.gz PCXJQLDDNBNNAO-VXGBXAGGSA-N 1 0 185.355 3.576 10 0 AHAERO CC(C)C[C@H](C)CCC[C@@H]([NH3+])C(C)C ZINC000300952385 572131726 /nfs/dbraw/zinc/13/17/26/572131726.db2.gz PXMKMORKTJTWLS-CHWSQXEVSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@@H](C)CCC[C@@H]([NH3+])C(C)C ZINC000300952393 572132158 /nfs/dbraw/zinc/13/21/58/572132158.db2.gz PXMKMORKTJTWLS-QWHCGFSZSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@@H](C)CCC[C@H]([NH3+])C(C)C ZINC000300952396 572131098 /nfs/dbraw/zinc/13/10/98/572131098.db2.gz PXMKMORKTJTWLS-STQMWFEESA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@H]([NH3+])CCC[C@@H](C)CC(C)C ZINC000300954344 572142700 /nfs/dbraw/zinc/14/27/00/572142700.db2.gz QDALWNSZDQGXKZ-NEPJUHHUSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@@H]([NH3+])CCC[C@H](C)CC(C)C ZINC000300954346 572141523 /nfs/dbraw/zinc/14/15/23/572141523.db2.gz QDALWNSZDQGXKZ-NWDGAFQWSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@H]([NH3+])CCC[C@H](C)CC(C)C ZINC000300954348 572141330 /nfs/dbraw/zinc/14/13/30/572141330.db2.gz QDALWNSZDQGXKZ-RYUDHWBXSA-N 1 0 185.355 3.576 10 0 AHAERO CC[C@@H]([NH3+])CCC[C@@H](C)CC(C)C ZINC000300954350 572141830 /nfs/dbraw/zinc/14/18/30/572141830.db2.gz QDALWNSZDQGXKZ-VXGBXAGGSA-N 1 0 185.355 3.576 10 0 AHAERO C[NH2+][C@H](CC(C)C)C[C@@H](C)CC(C)C ZINC000300954395 572141227 /nfs/dbraw/zinc/14/12/27/572141227.db2.gz QDIRSXNGYPCNJW-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@@H](CC(C)C)C[C@@H](C)CC(C)C ZINC000300954400 572142343 /nfs/dbraw/zinc/14/23/43/572142343.db2.gz QDIRSXNGYPCNJW-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[C@H](C)CC[C@H]1CCCC[NH2+]1 ZINC000300955245 572143397 /nfs/dbraw/zinc/14/33/97/572143397.db2.gz QFVMORASIQVKFE-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[C@@H](C)CC[C@H]1CCCC[NH2+]1 ZINC000300955249 572143846 /nfs/dbraw/zinc/14/38/46/572143846.db2.gz QFVMORASIQVKFE-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[C@@H](C)CC[C@@H]1CCCC[NH2+]1 ZINC000300955251 572144179 /nfs/dbraw/zinc/14/41/79/572144179.db2.gz QFVMORASIQVKFE-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH2+]CC)C(C)(C)C ZINC000300956592 572156367 /nfs/dbraw/zinc/15/63/67/572156367.db2.gz PTJHONYWQPNFJE-NWDGAFQWSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@H]([NH2+]CC)C(C)(C)C ZINC000300956594 572156761 /nfs/dbraw/zinc/15/67/61/572156761.db2.gz PTJHONYWQPNFJE-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH2+]CC)C(C)(C)C ZINC000300956595 572158246 /nfs/dbraw/zinc/15/82/46/572158246.db2.gz PTJHONYWQPNFJE-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)CCC[C@@H](C)CC(C)C ZINC000300957541 572146750 /nfs/dbraw/zinc/14/67/50/572146750.db2.gz QNACTQBAYOKYQB-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)CCC[C@H](C)CC(C)C ZINC000300957543 572146543 /nfs/dbraw/zinc/14/65/43/572146543.db2.gz QNACTQBAYOKYQB-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)C[C@@H](C)C[C@H]([NH3+])CC(C)(C)C ZINC000300958371 572154571 /nfs/dbraw/zinc/15/45/71/572154571.db2.gz QQEVDQKIJUXLEJ-NEPJUHHUSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@H](C)C[C@@H]([NH3+])CC(C)(C)C ZINC000300958372 572154912 /nfs/dbraw/zinc/15/49/12/572154912.db2.gz QQEVDQKIJUXLEJ-NWDGAFQWSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@H](C)C[C@H]([NH3+])CC(C)(C)C ZINC000300958373 572153384 /nfs/dbraw/zinc/15/33/84/572153384.db2.gz QQEVDQKIJUXLEJ-RYUDHWBXSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@@H](C)CCC[C@H]([NH3+])C1CC1 ZINC000300958377 572153872 /nfs/dbraw/zinc/15/38/72/572153872.db2.gz QQGBEENGEQQGQR-AAEUAGOBSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@H](C)CCC[C@@H]([NH3+])C1CC1 ZINC000300958378 572155380 /nfs/dbraw/zinc/15/53/80/572155380.db2.gz QQGBEENGEQQGQR-DGCLKSJQSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@H](C)CCC[C@@H]([NH3+])C1CC1 ZINC000300958379 572154013 /nfs/dbraw/zinc/15/40/13/572154013.db2.gz QQGBEENGEQQGQR-WCQYABFASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@H](C)CCC[C@H]([NH3+])C1CC1 ZINC000300958380 572154130 /nfs/dbraw/zinc/15/41/30/572154130.db2.gz QQGBEENGEQQGQR-YPMHNXCESA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH2+]CC)[C@H](C)CC ZINC000300961511 572178338 /nfs/dbraw/zinc/17/83/38/572178338.db2.gz QNUBEEJBEBPXSX-AGIUHOORSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH2+]CC)[C@@H](C)CC ZINC000300961513 572177084 /nfs/dbraw/zinc/17/70/84/572177084.db2.gz QNUBEEJBEBPXSX-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@H]([NH2+]CC)[C@H](C)CC ZINC000300961514 572176989 /nfs/dbraw/zinc/17/69/89/572176989.db2.gz QNUBEEJBEBPXSX-FRRDWIJNSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@H]([NH2+]CC)[C@@H](C)CC ZINC000300961516 572178310 /nfs/dbraw/zinc/17/83/10/572178310.db2.gz QNUBEEJBEBPXSX-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H]([NH2+]CC)[C@@H](C)CCCC ZINC000300961909 572177710 /nfs/dbraw/zinc/17/77/10/572177710.db2.gz QOTMSMPYOKIMNV-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](C)[C@H](CCCC)[NH2+]CC ZINC000300961911 572178159 /nfs/dbraw/zinc/17/81/59/572178159.db2.gz QOTMSMPYOKIMNV-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO C[NH2+][C@H]1CC[C@@H](CCCC(C)(C)C)C1 ZINC000300963015 572179465 /nfs/dbraw/zinc/17/94/65/572179465.db2.gz YRBIYDHAJCGDQC-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H]1CC[C@H](CCCC(C)(C)C)C1 ZINC000300963017 572179746 /nfs/dbraw/zinc/17/97/46/572179746.db2.gz YRBIYDHAJCGDQC-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H]1CC[C@H](CCCC(C)(C)C)C1 ZINC000300963020 572178700 /nfs/dbraw/zinc/17/87/00/572178700.db2.gz YRBIYDHAJCGDQC-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H]1CC[C@@H](CCCC(C)(C)C)C1 ZINC000300963022 572177440 /nfs/dbraw/zinc/17/74/40/572177440.db2.gz YRBIYDHAJCGDQC-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])C1CCCCC1 ZINC000300963329 572180464 /nfs/dbraw/zinc/18/04/64/572180464.db2.gz QWFQEIWCQHCMHJ-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH3+])C1CCCCC1 ZINC000300963331 572181883 /nfs/dbraw/zinc/18/18/83/572181883.db2.gz QWFQEIWCQHCMHJ-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])C1CCCCC1 ZINC000300963333 572180987 /nfs/dbraw/zinc/18/09/87/572180987.db2.gz QWFQEIWCQHCMHJ-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH3+])C1CCCCC1 ZINC000300963334 572180843 /nfs/dbraw/zinc/18/08/43/572180843.db2.gz QWFQEIWCQHCMHJ-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)[C@H](C)C[NH2+]CCCC(C)(C)C ZINC000300965537 572185193 /nfs/dbraw/zinc/18/51/93/572185193.db2.gz ZAHPGSQWYCLWSU-GFCCVEGCSA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC000300965538 572183127 /nfs/dbraw/zinc/18/31/27/572183127.db2.gz ZAHPGSQWYCLWSU-LBPRGKRZSA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)(C)CCCCCC[NH2+]C1CC1 ZINC000300965540 572182994 /nfs/dbraw/zinc/18/29/94/572182994.db2.gz ZAIINXZJIQUVDO-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO C[NH2+]CC/C=C(/C)C[C@@H](C)CC(C)C ZINC000300966143 572187347 /nfs/dbraw/zinc/18/73/47/572187347.db2.gz RNIGBQWVBUIKPB-OTAKNEKHSA-N 1 0 197.366 3.615 10 0 AHAERO C[C@@H]([C@@H]([NH3+])CCCC(C)(C)C)C1CC1 ZINC000300967648 572187234 /nfs/dbraw/zinc/18/72/34/572187234.db2.gz ZIRWSJFOCUTIEI-PWSUYJOCSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]([C@H]([NH3+])CCCC(C)(C)C)C1CC1 ZINC000300967650 572186344 /nfs/dbraw/zinc/18/63/44/572186344.db2.gz ZIRWSJFOCUTIEI-ZYHUDNBSSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)(C)CCC[NH2+]CCC1CCC1 ZINC000300967674 572186140 /nfs/dbraw/zinc/18/61/40/572186140.db2.gz ZJCLZZDDHOSCAZ-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)(C)CCC[C@@H]([NH3+])[C@H]1CC1(C)C ZINC000300967715 572187382 /nfs/dbraw/zinc/18/73/82/572187382.db2.gz ZJQRJNSBXRAXJS-GHMZBOCLSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)(C)CCC[C@H]([NH3+])[C@H]1CC1(C)C ZINC000300967719 572186219 /nfs/dbraw/zinc/18/62/19/572186219.db2.gz ZJQRJNSBXRAXJS-MNOVXSKESA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)(C)CCC[C@H]([NH3+])[C@@H]1CC1(C)C ZINC000300967723 572185895 /nfs/dbraw/zinc/18/58/95/572185895.db2.gz ZJQRJNSBXRAXJS-QWRGUYRKSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)(C)CCC[C@@H]([NH3+])[C@@H]1CC1(C)C ZINC000300967727 572186222 /nfs/dbraw/zinc/18/62/22/572186222.db2.gz ZJQRJNSBXRAXJS-WDEREUQCSA-N 1 0 197.366 3.576 10 0 AHAERO C[NH2+]CCC(C)(C)CCCC(C)(C)C ZINC000300967730 572187388 /nfs/dbraw/zinc/18/73/88/572187388.db2.gz ZJWFSUPUQODSQP-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[C@H](C)[C@H]([NH2+]C)C1CCCC1 ZINC000300970226 572193108 /nfs/dbraw/zinc/19/31/08/572193108.db2.gz RTVMCKLJYVNDPJ-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH2+]C)C1CCCC1 ZINC000300970227 572192367 /nfs/dbraw/zinc/19/23/67/572192367.db2.gz RTVMCKLJYVNDPJ-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH2+]C)C1CCCC1 ZINC000300970228 572193406 /nfs/dbraw/zinc/19/34/06/572193406.db2.gz RTVMCKLJYVNDPJ-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH2+]C)C1CCCC1 ZINC000300970229 572191429 /nfs/dbraw/zinc/19/14/29/572191429.db2.gz RTVMCKLJYVNDPJ-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[C@@H](C)C[C@@H](C[NH3+])C(C)(C)C ZINC000300971115 572190933 /nfs/dbraw/zinc/19/09/33/572190933.db2.gz SDCLAXAONAYEMN-NEPJUHHUSA-N 1 0 199.382 3.680 10 0 AHAERO CC(C)C[C@H](C)C[C@H](C[NH3+])C(C)(C)C ZINC000300971116 572190979 /nfs/dbraw/zinc/19/09/79/572190979.db2.gz SDCLAXAONAYEMN-NWDGAFQWSA-N 1 0 199.382 3.680 10 0 AHAERO CC(C)C[C@H](C)C[C@@H](C[NH3+])C(C)(C)C ZINC000300971117 572191950 /nfs/dbraw/zinc/19/19/50/572191950.db2.gz SDCLAXAONAYEMN-RYUDHWBXSA-N 1 0 199.382 3.680 10 0 AHAERO CC(C)C[C@@H](C)C[C@H](C[NH3+])C(C)(C)C ZINC000300971118 572192570 /nfs/dbraw/zinc/19/25/70/572192570.db2.gz SDCLAXAONAYEMN-VXGBXAGGSA-N 1 0 199.382 3.680 10 0 AHAERO CC(C)C[C@@H](C)C[NH2+][C@@H](C)C(C)(C)C ZINC000300971815 572195875 /nfs/dbraw/zinc/19/58/75/572195875.db2.gz SDTVEYOTYIZOSK-NEPJUHHUSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[C@H](C)C[NH2+][C@H](C)C(C)(C)C ZINC000300971816 572195244 /nfs/dbraw/zinc/19/52/44/572195244.db2.gz SDTVEYOTYIZOSK-NWDGAFQWSA-N 1 0 199.382 3.693 10 0 AHAERO CCCC[C@@H](C)[C@@H](CCC(C)C)[NH2+]C ZINC000300972618 572193823 /nfs/dbraw/zinc/19/38/23/572193823.db2.gz SFSCPLYFUKZIJL-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H](C)[C@H](CCC(C)C)[NH2+]C ZINC000300972620 572194918 /nfs/dbraw/zinc/19/49/18/572194918.db2.gz SFSCPLYFUKZIJL-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@@H](CCC(C)C)[NH2+]C ZINC000300972622 572193928 /nfs/dbraw/zinc/19/39/28/572193928.db2.gz SFSCPLYFUKZIJL-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@H](CCC(C)C)[NH2+]C ZINC000300972624 572195771 /nfs/dbraw/zinc/19/57/71/572195771.db2.gz SFSCPLYFUKZIJL-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC(C)(CC)[NH2+]C[C@H](C)CC(C)C ZINC000300974609 572202980 /nfs/dbraw/zinc/20/29/80/572202980.db2.gz SPZSFVBJLYBXJQ-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(C)(CC)[NH2+]C[C@@H](C)CC(C)C ZINC000300974610 572204560 /nfs/dbraw/zinc/20/45/60/572204560.db2.gz SPZSFVBJLYBXJQ-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])C1=CCCCC1 ZINC000300981499 572219635 /nfs/dbraw/zinc/21/96/35/572219635.db2.gz UIMHLRZQRGKAPM-AAEUAGOBSA-N 1 0 195.350 3.640 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH3+])C1=CCCCC1 ZINC000300981501 572218066 /nfs/dbraw/zinc/21/80/66/572218066.db2.gz UIMHLRZQRGKAPM-DGCLKSJQSA-N 1 0 195.350 3.640 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])C1=CCCCC1 ZINC000300981503 572218895 /nfs/dbraw/zinc/21/88/95/572218895.db2.gz UIMHLRZQRGKAPM-WCQYABFASA-N 1 0 195.350 3.640 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH3+])C1=CCCCC1 ZINC000300981504 572219918 /nfs/dbraw/zinc/21/99/18/572219918.db2.gz UIMHLRZQRGKAPM-YPMHNXCESA-N 1 0 195.350 3.640 10 0 AHAERO CC(C)C[C@@H](C)CC(C)(C)C[C@H](C)[NH3+] ZINC000300982640 572220684 /nfs/dbraw/zinc/22/06/84/572220684.db2.gz ULXLJYVTFQNFIU-NEPJUHHUSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@H](C)CC(C)(C)C[C@@H](C)[NH3+] ZINC000300982643 572220905 /nfs/dbraw/zinc/22/09/05/572220905.db2.gz ULXLJYVTFQNFIU-NWDGAFQWSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@H](C)CC(C)(C)C[C@H](C)[NH3+] ZINC000300982645 572220658 /nfs/dbraw/zinc/22/06/58/572220658.db2.gz ULXLJYVTFQNFIU-RYUDHWBXSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@@H](C)CC(C)(C)C[C@@H](C)[NH3+] ZINC000300982647 572221667 /nfs/dbraw/zinc/22/16/67/572221667.db2.gz ULXLJYVTFQNFIU-VXGBXAGGSA-N 1 0 199.382 3.822 10 0 AHAERO CC[NH2+]CC[C@@H](C)C[C@@H](C)CC(C)C ZINC000300983036 572222633 /nfs/dbraw/zinc/22/26/33/572222633.db2.gz UMKJMUOFXUYOQM-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]CC[C@H](C)C[C@H](C)CC(C)C ZINC000300983037 572221346 /nfs/dbraw/zinc/22/13/46/572221346.db2.gz UMKJMUOFXUYOQM-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]CC[C@H](C)C[C@@H](C)CC(C)C ZINC000300983038 572223099 /nfs/dbraw/zinc/22/30/99/572223099.db2.gz UMKJMUOFXUYOQM-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)CC[C@@H]([NH3+])C[C@H](C)CC(C)C ZINC000300983076 572222681 /nfs/dbraw/zinc/22/26/81/572222681.db2.gz UNVCPGFMNXKXET-CHWSQXEVSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)CC[C@@H]([NH3+])C[C@@H](C)CC(C)C ZINC000300983078 572222391 /nfs/dbraw/zinc/22/23/91/572222391.db2.gz UNVCPGFMNXKXET-QWHCGFSZSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)CC[C@H]([NH3+])C[C@@H](C)CC(C)C ZINC000300983079 572223012 /nfs/dbraw/zinc/22/30/12/572223012.db2.gz UNVCPGFMNXKXET-STQMWFEESA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@]1(C[C@H](C)CC(C)C)CCC[NH2+]1 ZINC000300983090 572222627 /nfs/dbraw/zinc/22/26/27/572222627.db2.gz UOHAMFZRGZYOGB-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@]1(C[C@H](C)CC(C)C)CCC[NH2+]1 ZINC000300983091 572220778 /nfs/dbraw/zinc/22/07/78/572220778.db2.gz UOHAMFZRGZYOGB-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@]1(C[C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000300983092 572222335 /nfs/dbraw/zinc/22/23/35/572222335.db2.gz UOHAMFZRGZYOGB-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@]1(C[C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000300983094 572221213 /nfs/dbraw/zinc/22/12/13/572221213.db2.gz UOHAMFZRGZYOGB-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])[C@H](C)CCC ZINC000300984541 572222863 /nfs/dbraw/zinc/22/28/63/572222863.db2.gz UVOGIEQRKJQCMW-GRYCIOLGSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])[C@@H](C)CCC ZINC000300984543 572220912 /nfs/dbraw/zinc/22/09/12/572220912.db2.gz UVOGIEQRKJQCMW-SRVKXCTJSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])[C@H](C)CCC ZINC000300984544 572222270 /nfs/dbraw/zinc/22/22/70/572222270.db2.gz UVOGIEQRKJQCMW-WOPDTQHZSA-N 1 0 185.355 3.576 10 0 AHAERO CCCCC[C@@H]([NH3+])[C@@H](C)CCCC ZINC000300985188 572224826 /nfs/dbraw/zinc/22/48/26/572224826.db2.gz UXLZTNUFZFJSKE-NWDGAFQWSA-N 1 0 185.355 3.720 10 0 AHAERO CCCCC[C@H]([NH3+])[C@@H](C)CCCC ZINC000300985189 572225807 /nfs/dbraw/zinc/22/58/07/572225807.db2.gz UXLZTNUFZFJSKE-RYUDHWBXSA-N 1 0 185.355 3.720 10 0 AHAERO CCCCC[C@@H]([NH3+])[C@H](C)CCCC ZINC000300985191 572223944 /nfs/dbraw/zinc/22/39/44/572223944.db2.gz UXLZTNUFZFJSKE-VXGBXAGGSA-N 1 0 185.355 3.720 10 0 AHAERO CCCCC[C@@H]([NH2+]C)[C@H](C)CCCC ZINC000300985312 572226004 /nfs/dbraw/zinc/22/60/04/572226004.db2.gz UZIKFBSXXCMQAA-CHWSQXEVSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H]([NH2+]C)[C@H](C)CCCC ZINC000300985313 572225358 /nfs/dbraw/zinc/22/53/58/572225358.db2.gz UZIKFBSXXCMQAA-OLZOCXBDSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@@H]([NH2+]C)[C@@H](C)CCCC ZINC000300985314 572224810 /nfs/dbraw/zinc/22/48/10/572224810.db2.gz UZIKFBSXXCMQAA-QWHCGFSZSA-N 1 0 199.382 3.981 10 0 AHAERO CCCCC[C@H]([NH2+]C)[C@@H](C)CCCC ZINC000300985315 572225947 /nfs/dbraw/zinc/22/59/47/572225947.db2.gz UZIKFBSXXCMQAA-STQMWFEESA-N 1 0 199.382 3.981 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])C[C@H](C)CCC ZINC000300988145 572226159 /nfs/dbraw/zinc/22/61/59/572226159.db2.gz VLBADLAZUZOMMY-AGIUHOORSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])C[C@@H](C)CCC ZINC000300988147 572225337 /nfs/dbraw/zinc/22/53/37/572225337.db2.gz VLBADLAZUZOMMY-AVGNSLFASA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])C[C@H](C)CCC ZINC000300988149 572224006 /nfs/dbraw/zinc/22/40/06/572224006.db2.gz VLBADLAZUZOMMY-FRRDWIJNSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])C[C@@H](C)CCC ZINC000300988151 572223992 /nfs/dbraw/zinc/22/39/92/572223992.db2.gz VLBADLAZUZOMMY-RWMBFGLXSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@H](C)[C@H]([NH2+]CC)C1CCC1 ZINC000300988188 572226001 /nfs/dbraw/zinc/22/60/01/572226001.db2.gz VLXSAZHLGUJZSP-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH2+]CC)C1CCC1 ZINC000300988189 572225825 /nfs/dbraw/zinc/22/58/25/572225825.db2.gz VLXSAZHLGUJZSP-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH2+]CC)C1CCC1 ZINC000300988190 572224699 /nfs/dbraw/zinc/22/46/99/572224699.db2.gz VLXSAZHLGUJZSP-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH2+]CC)C1CCC1 ZINC000300988191 572224151 /nfs/dbraw/zinc/22/41/51/572224151.db2.gz VLXSAZHLGUJZSP-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C(C)C ZINC000300992655 572230033 /nfs/dbraw/zinc/23/00/33/572230033.db2.gz VWCWNUNJGXEZAC-CHWSQXEVSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H]([NH2+]C[C@H](C)CC(C)C)C(C)C ZINC000300992657 572232066 /nfs/dbraw/zinc/23/20/66/572232066.db2.gz VWCWNUNJGXEZAC-OLZOCXBDSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C(C)C ZINC000300992658 572230723 /nfs/dbraw/zinc/23/07/23/572230723.db2.gz VWCWNUNJGXEZAC-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H]([NH2+]C[C@@H](C)CC(C)C)C(C)C ZINC000300992660 572231826 /nfs/dbraw/zinc/23/18/26/572231826.db2.gz VWCWNUNJGXEZAC-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+]C[C@@H](C[C@H](C)CC(C)C)C(C)C ZINC000300992675 572230020 /nfs/dbraw/zinc/23/00/20/572230020.db2.gz VWGLCJSHJJLRIE-CHWSQXEVSA-N 1 0 199.382 3.550 10 0 AHAERO C[NH2+]C[C@H](C[C@H](C)CC(C)C)C(C)C ZINC000300992677 572230576 /nfs/dbraw/zinc/23/05/76/572230576.db2.gz VWGLCJSHJJLRIE-OLZOCXBDSA-N 1 0 199.382 3.550 10 0 AHAERO C[NH2+]C[C@@H](C[C@@H](C)CC(C)C)C(C)C ZINC000300992679 572231390 /nfs/dbraw/zinc/23/13/90/572231390.db2.gz VWGLCJSHJJLRIE-QWHCGFSZSA-N 1 0 199.382 3.550 10 0 AHAERO C[NH2+]C[C@H](C[C@@H](C)CC(C)C)C(C)C ZINC000300992681 572230008 /nfs/dbraw/zinc/23/00/08/572230008.db2.gz VWGLCJSHJJLRIE-STQMWFEESA-N 1 0 199.382 3.550 10 0 AHAERO CC[C@@](C)(C[NH2+]C)C[C@H](C)CC(C)C ZINC000300993218 572233401 /nfs/dbraw/zinc/23/34/01/572233401.db2.gz VXMNIQCJYBGICP-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@](C)(C[NH2+]C)C[C@H](C)CC(C)C ZINC000300993221 572232625 /nfs/dbraw/zinc/23/26/25/572232625.db2.gz VXMNIQCJYBGICP-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@@](C)(C[NH2+]C)C[C@@H](C)CC(C)C ZINC000300993224 572233154 /nfs/dbraw/zinc/23/31/54/572233154.db2.gz VXMNIQCJYBGICP-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CC[C@](C)(C[NH2+]C)C[C@@H](C)CC(C)C ZINC000300993226 572233633 /nfs/dbraw/zinc/23/36/33/572233633.db2.gz VXMNIQCJYBGICP-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO C[NH2+]C[C@H](C)[C@@H](C)C[C@H](C)CC(C)C ZINC000300993822 572233039 /nfs/dbraw/zinc/23/30/39/572233039.db2.gz WANQJHGGPHQNRS-AGIUHOORSA-N 1 0 199.382 3.550 10 0 AHAERO C[NH2+]C[C@H](C)[C@@H](C)C[C@@H](C)CC(C)C ZINC000300993826 572233310 /nfs/dbraw/zinc/23/33/10/572233310.db2.gz WANQJHGGPHQNRS-AVGNSLFASA-N 1 0 199.382 3.550 10 0 AHAERO C[NH2+]C[C@H](C)[C@H](C)C[C@H](C)CC(C)C ZINC000300993830 572232698 /nfs/dbraw/zinc/23/26/98/572232698.db2.gz WANQJHGGPHQNRS-UPJWGTAASA-N 1 0 199.382 3.550 10 0 AHAERO C[NH2+]C[C@H](C)[C@H](C)C[C@@H](C)CC(C)C ZINC000300993834 572233113 /nfs/dbraw/zinc/23/31/13/572233113.db2.gz WANQJHGGPHQNRS-XQQFMLRXSA-N 1 0 199.382 3.550 10 0 AHAERO CCCC[C@@H](C)[C@@H](C=C(C)C)[NH2+]CC ZINC000300994643 572230681 /nfs/dbraw/zinc/23/06/81/572230681.db2.gz WSRCOMCZBMSIDO-CHWSQXEVSA-N 1 0 197.366 3.757 10 0 AHAERO CCCC[C@@H](C)[C@H](C=C(C)C)[NH2+]CC ZINC000300994644 572231999 /nfs/dbraw/zinc/23/19/99/572231999.db2.gz WSRCOMCZBMSIDO-OLZOCXBDSA-N 1 0 197.366 3.757 10 0 AHAERO CCCC[C@H](C)[C@@H](C=C(C)C)[NH2+]CC ZINC000300994645 572230566 /nfs/dbraw/zinc/23/05/66/572230566.db2.gz WSRCOMCZBMSIDO-QWHCGFSZSA-N 1 0 197.366 3.757 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH3+])CCCC(C)C ZINC000300996570 572637387 /nfs/dbraw/zinc/63/73/87/572637387.db2.gz XDNNRKAAQOGXDG-OLZOCXBDSA-N 1 0 199.382 3.966 10 0 AHAERO CC[C@H]([NH2+]C)[C@@H](C)C[C@H](C)CC(C)C ZINC000300998817 572240223 /nfs/dbraw/zinc/24/02/23/572240223.db2.gz WUJWDWGCKUQKLD-AGIUHOORSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H]([NH2+]C)[C@@H](C)C[C@@H](C)CC(C)C ZINC000300998818 572239695 /nfs/dbraw/zinc/23/96/95/572239695.db2.gz WUJWDWGCKUQKLD-AVGNSLFASA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H]([NH2+]C)[C@H](C)C[C@H](C)CC(C)C ZINC000300998820 572240097 /nfs/dbraw/zinc/24/00/97/572240097.db2.gz WUJWDWGCKUQKLD-UPJWGTAASA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H]([NH2+]C)[C@H](C)C[C@@H](C)CC(C)C ZINC000300999197 571678923 /nfs/dbraw/zinc/67/89/23/571678923.db2.gz WUJWDWGCKUQKLD-XQQFMLRXSA-N 1 0 199.382 3.693 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])C(CC)CC ZINC000300999635 571684339 /nfs/dbraw/zinc/68/43/39/571684339.db2.gz XRHITGUQCQENCW-CMPLNLGQSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])C(CC)CC ZINC000300999636 571686373 /nfs/dbraw/zinc/68/63/73/571686373.db2.gz XRHITGUQCQENCW-JQWIXIFHSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH3+])C(CC)CC ZINC000300999638 571686468 /nfs/dbraw/zinc/68/64/68/571686468.db2.gz XRHITGUQCQENCW-PWSUYJOCSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH3+])C(CC)CC ZINC000300999639 571686474 /nfs/dbraw/zinc/68/64/74/571686474.db2.gz XRHITGUQCQENCW-ZYHUDNBSSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[NH2+][C@H](C)/C=C/[C@H](C)CC(C)C ZINC000301000016 571689139 /nfs/dbraw/zinc/68/91/39/571689139.db2.gz WZFQBCHIYAJEOC-AHYBDNRGSA-N 1 0 197.366 3.613 10 0 AHAERO CCC[NH2+][C@H](C)/C=C/[C@@H](C)CC(C)C ZINC000301000020 571689453 /nfs/dbraw/zinc/68/94/53/571689453.db2.gz WZFQBCHIYAJEOC-WUOSCTTQSA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)C[C@@H](C)C[C@H](C[NH3+])CC(C)C ZINC000301004298 572725486 /nfs/dbraw/zinc/72/54/86/572725486.db2.gz XQQPMHHTXLUQEN-CHWSQXEVSA-N 1 0 199.382 3.680 10 0 AHAERO CC(C)C[C@@H](C)C[C@@H](C[NH3+])CC(C)C ZINC000301004300 571776815 /nfs/dbraw/zinc/77/68/15/571776815.db2.gz XQQPMHHTXLUQEN-OLZOCXBDSA-N 1 0 199.382 3.680 10 0 AHAERO CC(C)C[C@@H](C[NH3+])C[C@@H](C)CC(C)C ZINC000301004302 571775291 /nfs/dbraw/zinc/77/52/91/571775291.db2.gz XQQPMHHTXLUQEN-QWHCGFSZSA-N 1 0 199.382 3.680 10 0 AHAERO CC(C)C[C@H](C)C[C@@H](C[NH3+])CC(C)C ZINC000301004303 571776106 /nfs/dbraw/zinc/77/61/06/571776106.db2.gz XQQPMHHTXLUQEN-STQMWFEESA-N 1 0 199.382 3.680 10 0 AHAERO C[NH2+]CCC(C)(C)C[C@H](C)CC(C)C ZINC000301004872 571774669 /nfs/dbraw/zinc/77/46/69/571774669.db2.gz XSLWOHZNDBPFKM-GFCCVEGCSA-N 1 0 199.382 3.694 10 0 AHAERO C[NH2+]CCC(C)(C)C[C@@H](C)CC(C)C ZINC000301004875 571771983 /nfs/dbraw/zinc/77/19/83/571771983.db2.gz XSLWOHZNDBPFKM-LBPRGKRZSA-N 1 0 199.382 3.694 10 0 AHAERO CCCC[C@@H]([NH2+]C)[C@@H](C)CCCC ZINC000301004980 571773822 /nfs/dbraw/zinc/77/38/22/571773822.db2.gz YQWTTWRVWNRLGS-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](C)[C@H](CCCC)[NH2+]C ZINC000301004981 571773718 /nfs/dbraw/zinc/77/37/18/571773718.db2.gz YQWTTWRVWNRLGS-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](C)[C@@H](CCCC)[NH2+]C ZINC000301004984 571773954 /nfs/dbraw/zinc/77/39/54/571773954.db2.gz YQWTTWRVWNRLGS-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H]([NH3+])C[C@H](C)CC(C)C ZINC000301005532 571775899 /nfs/dbraw/zinc/77/58/99/571775899.db2.gz XTYGMRLSJOFZCV-NEPJUHHUSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@@H]([NH3+])C[C@@H](C)CC(C)C ZINC000301005534 571778180 /nfs/dbraw/zinc/77/81/80/571778180.db2.gz XTYGMRLSJOFZCV-NWDGAFQWSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@@H]([NH3+])C[C@H](C)CC(C)C ZINC000301005539 571776693 /nfs/dbraw/zinc/77/66/93/571776693.db2.gz XTYGMRLSJOFZCV-VXGBXAGGSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H](C)[C@H](C[C@H](C)CC)[NH2+]C ZINC000301007374 571775859 /nfs/dbraw/zinc/77/58/59/571775859.db2.gz ZDWROXPPTMYELY-AGIUHOORSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@H](C[C@@H](C)CC)[NH2+]C ZINC000301007376 571778218 /nfs/dbraw/zinc/77/82/18/571778218.db2.gz ZDWROXPPTMYELY-AVGNSLFASA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@@H](C[C@H](C)CC)[NH2+]C ZINC000301007379 571776457 /nfs/dbraw/zinc/77/64/57/571776457.db2.gz ZDWROXPPTMYELY-FRRDWIJNSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H](C)[C@@H](C[C@@H](C)CC)[NH2+]C ZINC000301007382 571777306 /nfs/dbraw/zinc/77/73/06/571777306.db2.gz ZDWROXPPTMYELY-RWMBFGLXSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)C[C@@H](C)C[NH2+]CCC(C)(C)C ZINC000301008120 571778956 /nfs/dbraw/zinc/77/89/56/571778956.db2.gz YFRQHXWJOBFDBA-GFCCVEGCSA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)C[C@H](C)C[NH2+]CCC(C)(C)C ZINC000301008121 571781503 /nfs/dbraw/zinc/78/15/03/571781503.db2.gz YFRQHXWJOBFDBA-LBPRGKRZSA-N 1 0 199.382 3.694 10 0 AHAERO C[NH2+][C@H](C)C[C@@H](C)C[C@H](C)CC(C)C ZINC000301008183 571781287 /nfs/dbraw/zinc/78/12/87/571781287.db2.gz YHDAHZZGTSONHP-FRRDWIJNSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](C)C[C@H](C)C[C@H](C)CC(C)C ZINC000301008185 571781487 /nfs/dbraw/zinc/78/14/87/571781487.db2.gz YHDAHZZGTSONHP-JHJVBQTASA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](C)C[C@@H](C)C[C@@H](C)CC(C)C ZINC000301008186 571781354 /nfs/dbraw/zinc/78/13/54/571781354.db2.gz YHDAHZZGTSONHP-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](C)C[C@H](C)C[C@@H](C)CC(C)C ZINC000301008188 571780523 /nfs/dbraw/zinc/78/05/23/571780523.db2.gz YHDAHZZGTSONHP-YNEHKIRRSA-N 1 0 199.382 3.693 10 0 AHAERO CCCC[C@H](C)[C@@H](CCC)[NH2+]CC ZINC000301008333 571778725 /nfs/dbraw/zinc/77/87/25/571778725.db2.gz ZIOLOPHTXXBKKM-NWDGAFQWSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@H](C)[C@H](CCC)[NH2+]CC ZINC000301008334 571780662 /nfs/dbraw/zinc/78/06/62/571780662.db2.gz ZIOLOPHTXXBKKM-RYUDHWBXSA-N 1 0 185.355 3.591 10 0 AHAERO CCCC[C@@H](C)[C@@H](CCC)[NH2+]CC ZINC000301008335 571780896 /nfs/dbraw/zinc/78/08/96/571780896.db2.gz ZIOLOPHTXXBKKM-VXGBXAGGSA-N 1 0 185.355 3.591 10 0 AHAERO CC(C)C[C@H](C)CCCC[NH2+]C(C)C ZINC000301008882 571781460 /nfs/dbraw/zinc/78/14/60/571781460.db2.gz YJZTXDIDCFKTBI-CYBMUJFWSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)C[C@@H](C)CCCC[NH2+]C(C)C ZINC000301008883 571780628 /nfs/dbraw/zinc/78/06/28/571780628.db2.gz YJZTXDIDCFKTBI-ZDUSSCGKSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)[C@@](C)([NH3+])C[C@H](C)CC(C)C ZINC000301008987 571781069 /nfs/dbraw/zinc/78/10/69/571781069.db2.gz YLLXPYRZTSUEMZ-AGIUHOORSA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@H](C)[C@@](C)([NH3+])C[C@@H](C)CC(C)C ZINC000301008989 571780028 /nfs/dbraw/zinc/78/00/28/571780028.db2.gz YLLXPYRZTSUEMZ-AVGNSLFASA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@H](C)[C@](C)([NH3+])C[C@H](C)CC(C)C ZINC000301008990 571780202 /nfs/dbraw/zinc/78/02/02/571780202.db2.gz YLLXPYRZTSUEMZ-FRRDWIJNSA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@H](C)[C@](C)([NH3+])C[C@@H](C)CC(C)C ZINC000301008992 571780474 /nfs/dbraw/zinc/78/04/74/571780474.db2.gz YLLXPYRZTSUEMZ-RWMBFGLXSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@@H](C)CC1(C[NH3+])CCCC1 ZINC000301011569 571786646 /nfs/dbraw/zinc/78/66/46/571786646.db2.gz YVPBKJFOCNPMGS-GFCCVEGCSA-N 1 0 197.366 3.578 10 0 AHAERO CC[NH2+][C@@H](C[C@H](C)CC(C)C)C(C)C ZINC000301013796 571785782 /nfs/dbraw/zinc/78/57/82/571785782.db2.gz ZGGHSDZFCXBGEB-OLZOCXBDSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](C[C@@H](C)CC(C)C)C(C)C ZINC000301013797 571786942 /nfs/dbraw/zinc/78/69/42/571786942.db2.gz ZGGHSDZFCXBGEB-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@@H](C[C@@H](C)CC(C)C)C(C)C ZINC000301013798 571786659 /nfs/dbraw/zinc/78/66/59/571786659.db2.gz ZGGHSDZFCXBGEB-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@]([NH3+])(C[C@@H](C)CC(C)C)C(C)C ZINC000301014184 571784441 /nfs/dbraw/zinc/78/44/41/571784441.db2.gz ZGNAKRXCWUYCMS-QWHCGFSZSA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@]([NH3+])(C[C@@H](C)CC(C)C)C(C)C ZINC000301014186 571786807 /nfs/dbraw/zinc/78/68/07/571786807.db2.gz ZGNAKRXCWUYCMS-STQMWFEESA-N 1 0 199.382 3.822 10 0 AHAERO CC[NH2+]C[C@H](C)CC[C@@H](C)CC(C)C ZINC000301015303 571792652 /nfs/dbraw/zinc/79/26/52/571792652.db2.gz ZNQVJPUPNWZCJJ-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@@H](C)CC[C@@H](C)CC(C)C ZINC000301015304 571792207 /nfs/dbraw/zinc/79/22/07/571792207.db2.gz ZNQVJPUPNWZCJJ-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@H](C)CC[C@H](C)CC(C)C ZINC000301015305 571790630 /nfs/dbraw/zinc/79/06/30/571790630.db2.gz ZNQVJPUPNWZCJJ-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@@H](C)CC[C@H](C)CC(C)C ZINC000301015306 571792856 /nfs/dbraw/zinc/79/28/56/571792856.db2.gz ZNQVJPUPNWZCJJ-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CCCCCC[C@@]1(C)[C@@H](C[NH3+])C1(C)C ZINC000301022234 571802626 /nfs/dbraw/zinc/80/26/26/571802626.db2.gz QIBSUGBEUYTNTA-AAEUAGOBSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCCC[C@]1(C)[C@H](C[NH3+])C1(C)C ZINC000301022235 571802942 /nfs/dbraw/zinc/80/29/42/571802942.db2.gz QIBSUGBEUYTNTA-DGCLKSJQSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCCC[C@@]1(C)[C@H](C[NH3+])C1(C)C ZINC000301022237 571801175 /nfs/dbraw/zinc/80/11/75/571801175.db2.gz QIBSUGBEUYTNTA-YPMHNXCESA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)(C)C(C)(C)[NH2+][C@@H]1C=CCCC1 ZINC000306471113 345333998 /nfs/dbraw/zinc/33/39/98/345333998.db2.gz RIEQDDVEWWMUNJ-LLVKDONJSA-N 1 0 195.350 3.509 10 0 AHAERO CC(C)(C)C(C)(C)[NH2+][C@H]1C=CCCC1 ZINC000306471114 345334078 /nfs/dbraw/zinc/33/40/78/345334078.db2.gz RIEQDDVEWWMUNJ-NSHDSACASA-N 1 0 195.350 3.509 10 0 AHAERO CC(C)(C)C(C)(C)[C@H]1CCCCC[NH2+]1 ZINC000306532034 345403920 /nfs/dbraw/zinc/40/39/20/345403920.db2.gz GGVHDVZAXGIVPE-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)C(C)(C)[C@@H]1CCCCC[NH2+]1 ZINC000306532035 345403900 /nfs/dbraw/zinc/40/39/00/345403900.db2.gz GGVHDVZAXGIVPE-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@H](C)[C@]1(C)CCCCC[NH2+]1 ZINC000306657714 345523507 /nfs/dbraw/zinc/52/35/07/345523507.db2.gz IDEUZYQWBHBHOR-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@H](C)[C@@]1(C)CCCCC[NH2+]1 ZINC000306657721 345523365 /nfs/dbraw/zinc/52/33/65/345523365.db2.gz IDEUZYQWBHBHOR-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@@H](C)[C@]1(C)CCCCC[NH2+]1 ZINC000306657726 345523021 /nfs/dbraw/zinc/52/30/21/345523021.db2.gz IDEUZYQWBHBHOR-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@@H](C)[C@@]1(C)CCCCC[NH2+]1 ZINC000306657732 345523567 /nfs/dbraw/zinc/52/35/67/345523567.db2.gz IDEUZYQWBHBHOR-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[C@H](C)[C@@]1([NH3+])CCCC1(C)C ZINC000306819496 345634523 /nfs/dbraw/zinc/63/45/23/345634523.db2.gz HBUQSSQIQCDLGH-AAEUAGOBSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@H](C)[C@]1([NH3+])CCCC1(C)C ZINC000306819498 345634573 /nfs/dbraw/zinc/63/45/73/345634573.db2.gz HBUQSSQIQCDLGH-DGCLKSJQSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@H](C)[C@]1([NH3+])CCCC1(C)C ZINC000306819501 345634701 /nfs/dbraw/zinc/63/47/01/345634701.db2.gz HBUQSSQIQCDLGH-WCQYABFASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@H](C)[C@@]1([NH3+])CCCC1(C)C ZINC000306819503 345635135 /nfs/dbraw/zinc/63/51/35/345635135.db2.gz HBUQSSQIQCDLGH-YPMHNXCESA-N 1 0 197.366 3.576 10 0 AHAERO C/C=C/CC1(C[NH3+])CCCCCCC1 ZINC000307536101 346098034 /nfs/dbraw/zinc/09/80/34/346098034.db2.gz PGWFYBJMYCZZFR-NSCUHMNNSA-N 1 0 195.350 3.642 10 0 AHAERO CCCCCC[C@@H]1CC[NH2+][C@H](CC)C1 ZINC000307797192 572545080 /nfs/dbraw/zinc/54/50/80/572545080.db2.gz LYVHVJSJLHLRJK-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC000307797196 572544048 /nfs/dbraw/zinc/54/40/48/572544048.db2.gz LYVHVJSJLHLRJK-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H]1CC[NH2+][C@H](CC)C1 ZINC000307797199 572544966 /nfs/dbraw/zinc/54/49/66/572544966.db2.gz LYVHVJSJLHLRJK-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@H]1CC[NH2+][C@@H](CC)C1 ZINC000307797202 572545143 /nfs/dbraw/zinc/54/51/43/572545143.db2.gz LYVHVJSJLHLRJK-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCC(CC)C[C@H]1CC[NH2+][C@H](CC)C1 ZINC000307805352 572555286 /nfs/dbraw/zinc/55/52/86/572555286.db2.gz UHGFITKPKXTHMZ-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@@H]1CC[NH2+][C@H](CC)C1 ZINC000307805355 572553233 /nfs/dbraw/zinc/55/32/33/572553233.db2.gz UHGFITKPKXTHMZ-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC000307805357 572554948 /nfs/dbraw/zinc/55/49/48/572554948.db2.gz UHGFITKPKXTHMZ-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1C[C@H](CCC(C)(C)C)CC[NH2+]1 ZINC000307809645 572557845 /nfs/dbraw/zinc/55/78/45/572557845.db2.gz YYQFJJKALJKAAK-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1C[C@@H](CCC(C)(C)C)CC[NH2+]1 ZINC000307809649 572557216 /nfs/dbraw/zinc/55/72/16/572557216.db2.gz YYQFJJKALJKAAK-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1C[C@@H](CCC(C)(C)C)CC[NH2+]1 ZINC000307809652 572558346 /nfs/dbraw/zinc/55/83/46/572558346.db2.gz YYQFJJKALJKAAK-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1C[C@H](CCC(C)(C)C)CC[NH2+]1 ZINC000307809656 572557865 /nfs/dbraw/zinc/55/78/65/572557865.db2.gz YYQFJJKALJKAAK-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO C/C=C/CCCCC[NH2+]C(C)(C)C ZINC000308013112 572400384 /nfs/dbraw/zinc/40/03/84/572400384.db2.gz MCTRERXYKQLUNW-AATRIKPKSA-N 1 0 183.339 3.511 10 0 AHAERO CCC[C@H](CC(C)C)[C@@H](CC)[NH2+]CC ZINC000308041656 572486784 /nfs/dbraw/zinc/48/67/84/572486784.db2.gz BWTPOPKIOPGXEW-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](CC(C)C)[C@H](CC)[NH2+]CC ZINC000308041658 572485871 /nfs/dbraw/zinc/48/58/71/572485871.db2.gz BWTPOPKIOPGXEW-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](CC(C)C)[C@@H](CC)[NH2+]CC ZINC000308041661 572486452 /nfs/dbraw/zinc/48/64/52/572486452.db2.gz BWTPOPKIOPGXEW-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](CC(C)C)[C@H](CC)[NH2+]CC ZINC000308041663 572486534 /nfs/dbraw/zinc/48/65/34/572486534.db2.gz BWTPOPKIOPGXEW-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](CC(C)C)[C@H]([NH3+])[C@H](C)CC ZINC000308041726 572487151 /nfs/dbraw/zinc/48/71/51/572487151.db2.gz AUICUZIGSVQOAX-JHJVBQTASA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](CC(C)C)[C@@H]([NH3+])[C@H](C)CC ZINC000308041727 572484261 /nfs/dbraw/zinc/48/42/61/572484261.db2.gz AUICUZIGSVQOAX-UPJWGTAASA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](CC(C)C)[C@@H]([NH3+])[C@@H](C)CC ZINC000308041728 572487027 /nfs/dbraw/zinc/48/70/27/572487027.db2.gz AUICUZIGSVQOAX-XQQFMLRXSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](CC(C)C)[C@H]([NH3+])[C@@H](C)CC ZINC000308041729 572486862 /nfs/dbraw/zinc/48/68/62/572486862.db2.gz AUICUZIGSVQOAX-YNEHKIRRSA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@H](CC(C)C)[C@H]1CCCCC[NH2+]1 ZINC000308046336 572511199 /nfs/dbraw/zinc/51/11/99/572511199.db2.gz ZABKMZARZRCNLO-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](CC(C)C)[C@@H]1CCCCC[NH2+]1 ZINC000308046337 572511300 /nfs/dbraw/zinc/51/13/00/572511300.db2.gz ZABKMZARZRCNLO-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](CC(C)C)[C@H]1CCCCC[NH2+]1 ZINC000308046338 572511519 /nfs/dbraw/zinc/51/15/19/572511519.db2.gz ZABKMZARZRCNLO-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](CC(C)C)[C@@H]1CCCCC[NH2+]1 ZINC000308046339 572511202 /nfs/dbraw/zinc/51/12/02/572511202.db2.gz ZABKMZARZRCNLO-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](CC(C)C)[C@H]([NH2+]C)C(C)C ZINC000308057901 572545436 /nfs/dbraw/zinc/54/54/36/572545436.db2.gz DLTBFHPZIFYDCM-CHWSQXEVSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@H](CC(C)C)[C@@H]([NH2+]C)C(C)C ZINC000308057903 572545011 /nfs/dbraw/zinc/54/50/11/572545011.db2.gz DLTBFHPZIFYDCM-OLZOCXBDSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@@H](CC(C)C)[C@H]([NH2+]C)C(C)C ZINC000308057904 572542815 /nfs/dbraw/zinc/54/28/15/572542815.db2.gz DLTBFHPZIFYDCM-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@@H](CC(C)C)[C@@H]([NH2+]C)C(C)C ZINC000308057905 572543401 /nfs/dbraw/zinc/54/34/01/572543401.db2.gz DLTBFHPZIFYDCM-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](CC(C)C)[C@H]([NH2+]C)C(C)(C)C ZINC000308061546 572557833 /nfs/dbraw/zinc/55/78/33/572557833.db2.gz HUSIDLMNFSDHDR-NEPJUHHUSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](CC(C)C)[C@@H]([NH2+]C)C(C)(C)C ZINC000308061548 572556552 /nfs/dbraw/zinc/55/65/52/572556552.db2.gz HUSIDLMNFSDHDR-NWDGAFQWSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](CC(C)C)[C@H]([NH2+]C)C(C)(C)C ZINC000308061549 572558706 /nfs/dbraw/zinc/55/87/06/572558706.db2.gz HUSIDLMNFSDHDR-RYUDHWBXSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+][C@H](C)[C@H](CCC)CC(C)C ZINC000308061933 572563342 /nfs/dbraw/zinc/56/33/42/572563342.db2.gz VGUPVSAPAYQCPP-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)[C@@H](CCC)CC(C)C ZINC000308061935 572562744 /nfs/dbraw/zinc/56/27/44/572562744.db2.gz VGUPVSAPAYQCPP-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C)[C@H](CCC)CC(C)C ZINC000308061936 572561958 /nfs/dbraw/zinc/56/19/58/572561958.db2.gz VGUPVSAPAYQCPP-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C)[C@@H](CCC)CC(C)C ZINC000308061938 572562114 /nfs/dbraw/zinc/56/21/14/572562114.db2.gz VGUPVSAPAYQCPP-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](CC(C)C)[C@@H](CC(C)C)[NH2+]C ZINC000308062115 572563623 /nfs/dbraw/zinc/56/36/23/572563623.db2.gz IIZSTTYRIRPDCJ-CHWSQXEVSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](CC(C)C)[C@H](CC(C)C)[NH2+]C ZINC000308062117 572564059 /nfs/dbraw/zinc/56/40/59/572564059.db2.gz IIZSTTYRIRPDCJ-OLZOCXBDSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](CC(C)C)[C@@H](CC(C)C)[NH2+]C ZINC000308062119 572564024 /nfs/dbraw/zinc/56/40/24/572564024.db2.gz IIZSTTYRIRPDCJ-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](CC(C)C)[C@H](CC(C)C)[NH2+]C ZINC000308062121 572563199 /nfs/dbraw/zinc/56/31/99/572563199.db2.gz IIZSTTYRIRPDCJ-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO CCCC[C@@H]([NH2+]C)[C@H](CC)CC(C)C ZINC000308062667 572563543 /nfs/dbraw/zinc/56/35/43/572563543.db2.gz IUHHRVZXVTVFOQ-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H]([NH2+]C)[C@H](CC)CC(C)C ZINC000308062668 572561941 /nfs/dbraw/zinc/56/19/41/572561941.db2.gz IUHHRVZXVTVFOQ-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@@H]([NH2+]C)[C@@H](CC)CC(C)C ZINC000308062669 572561307 /nfs/dbraw/zinc/56/13/07/572561307.db2.gz IUHHRVZXVTVFOQ-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H]([NH2+]C)[C@@H](CC)CC(C)C ZINC000308062670 572563119 /nfs/dbraw/zinc/56/31/19/572563119.db2.gz IUHHRVZXVTVFOQ-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](CC(C)C)[C@H]([NH3+])CC1CC1 ZINC000308062907 572561430 /nfs/dbraw/zinc/56/14/30/572561430.db2.gz UDZQHWBOWHCODY-CHWSQXEVSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](CC(C)C)[C@@H]([NH3+])CC1CC1 ZINC000308062909 572562262 /nfs/dbraw/zinc/56/22/62/572562262.db2.gz UDZQHWBOWHCODY-OLZOCXBDSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H](CC(C)C)[C@H]([NH3+])CC1CC1 ZINC000308062911 572561165 /nfs/dbraw/zinc/56/11/65/572561165.db2.gz UDZQHWBOWHCODY-QWHCGFSZSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H](CC(C)C)[C@@H]([NH3+])CC1CC1 ZINC000308062913 572562987 /nfs/dbraw/zinc/56/29/87/572562987.db2.gz UDZQHWBOWHCODY-STQMWFEESA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](CC(C)C)[C@H]([NH3+])C(C)(C)C ZINC000308063539 572562191 /nfs/dbraw/zinc/56/21/91/572562191.db2.gz VBWGOKMMFSJWPC-NEPJUHHUSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@@H](CC(C)C)[C@@H]([NH3+])C(C)(C)C ZINC000308063541 572561920 /nfs/dbraw/zinc/56/19/20/572561920.db2.gz VBWGOKMMFSJWPC-NWDGAFQWSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@@H](CC(C)C)[C@H]([NH3+])C(C)(C)C ZINC000308063542 572560600 /nfs/dbraw/zinc/56/06/00/572560600.db2.gz VBWGOKMMFSJWPC-RYUDHWBXSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](CC(C)C)[C@@H]([NH3+])C(C)(C)C ZINC000308063543 572560863 /nfs/dbraw/zinc/56/08/63/572560863.db2.gz VBWGOKMMFSJWPC-VXGBXAGGSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](CC(C)C)[C@H]([NH3+])C=C(C)C ZINC000308065301 572574734 /nfs/dbraw/zinc/57/47/34/572574734.db2.gz WKVFSPMAUMQABA-CHWSQXEVSA-N 1 0 197.366 3.742 10 0 AHAERO CCC[C@H](CC(C)C)[C@@H]([NH3+])C=C(C)C ZINC000308065308 572574322 /nfs/dbraw/zinc/57/43/22/572574322.db2.gz WKVFSPMAUMQABA-OLZOCXBDSA-N 1 0 197.366 3.742 10 0 AHAERO CCC[C@@H](CC(C)C)[C@H]([NH3+])C=C(C)C ZINC000308065310 572576168 /nfs/dbraw/zinc/57/61/68/572576168.db2.gz WKVFSPMAUMQABA-QWHCGFSZSA-N 1 0 197.366 3.742 10 0 AHAERO CCC[C@@H](CC(C)C)[C@@H]([NH3+])C=C(C)C ZINC000308065312 572576632 /nfs/dbraw/zinc/57/66/32/572576632.db2.gz WKVFSPMAUMQABA-STQMWFEESA-N 1 0 197.366 3.742 10 0 AHAERO CC[C@H](CC(C)C)[C@H]([NH3+])CCC1CC1 ZINC000308067124 572584471 /nfs/dbraw/zinc/58/44/71/572584471.db2.gz NRLOQUZBFJXIOB-CHWSQXEVSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](CC(C)C)[C@@H]([NH3+])CCC1CC1 ZINC000308067125 572584169 /nfs/dbraw/zinc/58/41/69/572584169.db2.gz NRLOQUZBFJXIOB-OLZOCXBDSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](CC(C)C)[C@H]([NH3+])CCC1CC1 ZINC000308067126 572584380 /nfs/dbraw/zinc/58/43/80/572584380.db2.gz NRLOQUZBFJXIOB-QWHCGFSZSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](CC(C)C)[C@H]([NH3+])CC1CCC1 ZINC000308067532 572583750 /nfs/dbraw/zinc/58/37/50/572583750.db2.gz OECWYPSSQMJPTP-CHWSQXEVSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](CC(C)C)[C@@H]([NH3+])CC1CCC1 ZINC000308067533 572584339 /nfs/dbraw/zinc/58/43/39/572584339.db2.gz OECWYPSSQMJPTP-OLZOCXBDSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](CC(C)C)[C@H]([NH3+])CC1CCC1 ZINC000308067535 572583379 /nfs/dbraw/zinc/58/33/79/572583379.db2.gz OECWYPSSQMJPTP-QWHCGFSZSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](CC(C)C)[C@@H]([NH3+])CC1CCC1 ZINC000308067536 572582814 /nfs/dbraw/zinc/58/28/14/572582814.db2.gz OECWYPSSQMJPTP-STQMWFEESA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@H](CC(C)C)[C@H]([NH3+])CC(C)C ZINC000308068864 572577304 /nfs/dbraw/zinc/57/73/04/572577304.db2.gz ZYXSKJXUALFZTM-CHWSQXEVSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](CC(C)C)[C@@H]([NH3+])CC(C)C ZINC000308068866 572576013 /nfs/dbraw/zinc/57/60/13/572576013.db2.gz ZYXSKJXUALFZTM-OLZOCXBDSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@@H](CC(C)C)[C@H]([NH3+])CC(C)C ZINC000308068867 572575594 /nfs/dbraw/zinc/57/55/94/572575594.db2.gz ZYXSKJXUALFZTM-QWHCGFSZSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@@H](CC(C)C)[C@@H]([NH3+])CC(C)C ZINC000308068868 572577002 /nfs/dbraw/zinc/57/70/02/572577002.db2.gz ZYXSKJXUALFZTM-STQMWFEESA-N 1 0 199.382 3.822 10 0 AHAERO CCC(CC)[C@@H]([NH3+])[C@H](CC)CC(C)C ZINC000308069690 572593163 /nfs/dbraw/zinc/59/31/63/572593163.db2.gz QNOWHICREJBJOL-CHWSQXEVSA-N 1 0 199.382 3.822 10 0 AHAERO CCC(CC)[C@H]([NH3+])[C@H](CC)CC(C)C ZINC000308069691 572592545 /nfs/dbraw/zinc/59/25/45/572592545.db2.gz QNOWHICREJBJOL-OLZOCXBDSA-N 1 0 199.382 3.822 10 0 AHAERO CCC(CC)[C@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308069694 572592393 /nfs/dbraw/zinc/59/23/93/572592393.db2.gz QNOWHICREJBJOL-STQMWFEESA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](CC(C)C)[C@@H](CCC)[NH2+]C ZINC000308069705 572593225 /nfs/dbraw/zinc/59/32/25/572593225.db2.gz QQAVMULBTKCDDJ-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](CC(C)C)[C@H](CCC)[NH2+]C ZINC000308069706 572593263 /nfs/dbraw/zinc/59/32/63/572593263.db2.gz QQAVMULBTKCDDJ-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H]([NH2+]C)[C@@H](CCC)CC(C)C ZINC000308069707 572593689 /nfs/dbraw/zinc/59/36/89/572593689.db2.gz QQAVMULBTKCDDJ-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](CC(C)C)[C@H](CCC)[NH2+]C ZINC000308069709 572594048 /nfs/dbraw/zinc/59/40/48/572594048.db2.gz QQAVMULBTKCDDJ-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C[NH2+][C@H](C)CC)CC(C)C ZINC000308070051 572597447 /nfs/dbraw/zinc/59/74/47/572597447.db2.gz JLMZWBNZLTZXLG-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C[NH2+][C@H](C)CC)CC(C)C ZINC000308070053 572598115 /nfs/dbraw/zinc/59/81/15/572598115.db2.gz JLMZWBNZLTZXLG-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H](C[NH2+][C@@H](C)CC)CC(C)C ZINC000308070055 572597664 /nfs/dbraw/zinc/59/76/64/572597664.db2.gz JLMZWBNZLTZXLG-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](CC(C)C)[C@H]([NH3+])C1CCCC1 ZINC000308072345 572605162 /nfs/dbraw/zinc/60/51/62/572605162.db2.gz SFUGJJVVKQALLQ-AAEUAGOBSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](CC(C)C)[C@@H]([NH3+])C1CCCC1 ZINC000308072346 572605382 /nfs/dbraw/zinc/60/53/82/572605382.db2.gz SFUGJJVVKQALLQ-DGCLKSJQSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](CC(C)C)[C@@H]([NH3+])C1CCCC1 ZINC000308072347 572604326 /nfs/dbraw/zinc/60/43/26/572604326.db2.gz SFUGJJVVKQALLQ-WCQYABFASA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](CC(C)C)[C@H]([NH3+])C1CCCC1 ZINC000308072348 572603827 /nfs/dbraw/zinc/60/38/27/572603827.db2.gz SFUGJJVVKQALLQ-YPMHNXCESA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](CC(C)C)[C@@H](C=C(C)C)[NH2+]C ZINC000308073147 572607543 /nfs/dbraw/zinc/60/75/43/572607543.db2.gz SUZBSARXILNWBE-CHWSQXEVSA-N 1 0 197.366 3.613 10 0 AHAERO CC[C@H](CC(C)C)[C@H](C=C(C)C)[NH2+]C ZINC000308073149 572610219 /nfs/dbraw/zinc/61/02/19/572610219.db2.gz SUZBSARXILNWBE-OLZOCXBDSA-N 1 0 197.366 3.613 10 0 AHAERO CC[C@@H](CC(C)C)[C@@H](C=C(C)C)[NH2+]C ZINC000308073151 572608648 /nfs/dbraw/zinc/60/86/48/572608648.db2.gz SUZBSARXILNWBE-QWHCGFSZSA-N 1 0 197.366 3.613 10 0 AHAERO CC[C@@H](CC(C)C)[C@H](C=C(C)C)[NH2+]C ZINC000308073153 572607439 /nfs/dbraw/zinc/60/74/39/572607439.db2.gz SUZBSARXILNWBE-STQMWFEESA-N 1 0 197.366 3.613 10 0 AHAERO CCCC[C@H]([NH3+])[C@H](CC)CC(C)C ZINC000308073973 572611026 /nfs/dbraw/zinc/61/10/26/572611026.db2.gz UEOWGOTVNKPJOV-NEPJUHHUSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308073975 572611293 /nfs/dbraw/zinc/61/12/93/572611293.db2.gz UEOWGOTVNKPJOV-NWDGAFQWSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308073978 572611383 /nfs/dbraw/zinc/61/13/83/572611383.db2.gz UEOWGOTVNKPJOV-RYUDHWBXSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@@H]([NH3+])[C@H](CC)CC(C)C ZINC000308073979 572611208 /nfs/dbraw/zinc/61/12/08/572611208.db2.gz UEOWGOTVNKPJOV-VXGBXAGGSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[NH2+]C[C@H](CCC)CC(C)C ZINC000308076026 572618219 /nfs/dbraw/zinc/61/82/19/572618219.db2.gz MTIQLKAYYPNXBB-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CCCC[NH2+]C[C@@H](CCC)CC(C)C ZINC000308076028 572617754 /nfs/dbraw/zinc/61/77/54/572617754.db2.gz MTIQLKAYYPNXBB-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308076669 572608585 /nfs/dbraw/zinc/60/85/85/572608585.db2.gz VQDDNQQSGYSWJF-AVGNSLFASA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@H](C)C[C@@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308076671 572608516 /nfs/dbraw/zinc/60/85/16/572608516.db2.gz VQDDNQQSGYSWJF-RWMBFGLXSA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@H](CC(C)C)[C@@H]([NH3+])C[C@@H](C)CC ZINC000308076673 572610080 /nfs/dbraw/zinc/61/00/80/572610080.db2.gz VQDDNQQSGYSWJF-XQQFMLRXSA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@H](CC(C)C)[C@H]([NH3+])C[C@@H](C)CC ZINC000308076674 572610440 /nfs/dbraw/zinc/61/04/40/572610440.db2.gz VQDDNQQSGYSWJF-YNEHKIRRSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308077113 572626440 /nfs/dbraw/zinc/62/64/40/572626440.db2.gz WDYIVFPBJFDNIO-AVGNSLFASA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](C)[C@@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308077114 572625807 /nfs/dbraw/zinc/62/58/07/572625807.db2.gz WDYIVFPBJFDNIO-RWMBFGLXSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])[C@H](CC)CC(C)C ZINC000308077116 572626302 /nfs/dbraw/zinc/62/63/02/572626302.db2.gz WDYIVFPBJFDNIO-XQQFMLRXSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](C)[C@@H]([NH3+])[C@H](CC)CC(C)C ZINC000308077118 572625856 /nfs/dbraw/zinc/62/58/56/572625856.db2.gz WDYIVFPBJFDNIO-YNEHKIRRSA-N 1 0 199.382 3.822 10 0 AHAERO CCCCC[C@@H]([NH3+])[C@H](CC)CC(C)C ZINC000308078335 572628481 /nfs/dbraw/zinc/62/84/81/572628481.db2.gz XOLNGCMKZMGFIB-CHWSQXEVSA-N 1 0 199.382 3.966 10 0 AHAERO CCCCC[C@H]([NH3+])[C@H](CC)CC(C)C ZINC000308078336 572628215 /nfs/dbraw/zinc/62/82/15/572628215.db2.gz XOLNGCMKZMGFIB-OLZOCXBDSA-N 1 0 199.382 3.966 10 0 AHAERO CCCCC[C@@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308078337 572628328 /nfs/dbraw/zinc/62/83/28/572628328.db2.gz XOLNGCMKZMGFIB-QWHCGFSZSA-N 1 0 199.382 3.966 10 0 AHAERO CCCCC[C@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308078338 572628381 /nfs/dbraw/zinc/62/83/81/572628381.db2.gz XOLNGCMKZMGFIB-STQMWFEESA-N 1 0 199.382 3.966 10 0 AHAERO CC[C@H](C)[C@H]([NH2+]C)[C@@H](CC)CC(C)C ZINC000308078859 572627782 /nfs/dbraw/zinc/62/77/82/572627782.db2.gz XWROWZDQYZIWJG-AVGNSLFASA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)[C@@H]([NH2+]C)[C@@H](CC)CC(C)C ZINC000308078861 572627434 /nfs/dbraw/zinc/62/74/34/572627434.db2.gz XWROWZDQYZIWJG-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](CC(C)C)[C@@H]([NH2+]C)[C@@H](C)CC ZINC000308078862 572627551 /nfs/dbraw/zinc/62/75/51/572627551.db2.gz XWROWZDQYZIWJG-XQQFMLRXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](CC(C)C)[C@H]([NH2+]C)[C@@H](C)CC ZINC000308078864 572628529 /nfs/dbraw/zinc/62/85/29/572628529.db2.gz XWROWZDQYZIWJG-YNEHKIRRSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](C[NH2+]C1CCCC1)CC(C)C ZINC000308087852 572665327 /nfs/dbraw/zinc/66/53/27/572665327.db2.gz YOIBRQMEQPHOCE-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C[NH2+]C1CCCC1)CC(C)C ZINC000308087853 572664232 /nfs/dbraw/zinc/66/42/32/572664232.db2.gz YOIBRQMEQPHOCE-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC(C)(C)[NH2+][C@H](C)[C@H](C)CC ZINC000308088363 572666238 /nfs/dbraw/zinc/66/62/38/572666238.db2.gz MXPDRBCYFLBCDW-GHMZBOCLSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC(C)(C)[NH2+][C@@H](C)[C@H](C)CC ZINC000308088364 572663912 /nfs/dbraw/zinc/66/39/12/572663912.db2.gz MXPDRBCYFLBCDW-MNOVXSKESA-N 1 0 185.355 3.589 10 0 AHAERO CCCC(C)(C)[NH2+][C@@H](C)[C@@H](C)CC ZINC000308088365 572664847 /nfs/dbraw/zinc/66/48/47/572664847.db2.gz MXPDRBCYFLBCDW-QWRGUYRKSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC(C)(C)[NH2+][C@H](C)[C@@H](C)CC ZINC000308088366 572664082 /nfs/dbraw/zinc/66/40/82/572664082.db2.gz MXPDRBCYFLBCDW-WDEREUQCSA-N 1 0 185.355 3.589 10 0 AHAERO C/C=C\CC[NH2+][C@@H](CC)CCCC ZINC000308093678 572679797 /nfs/dbraw/zinc/67/97/97/572679797.db2.gz WOZKXJFMFTXNFN-KMSCOEIWSA-N 1 0 183.339 3.511 10 0 AHAERO CCC[C@@H]([NH2+]CC)[C@H](CC)CC(C)C ZINC000308094119 572678937 /nfs/dbraw/zinc/67/89/37/572678937.db2.gz KCFNJSRXVGQSGH-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H]([NH2+]CC)[C@H](CC)CC(C)C ZINC000308094120 572680622 /nfs/dbraw/zinc/68/06/22/572680622.db2.gz KCFNJSRXVGQSGH-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@@H]([NH2+]CC)[C@@H](CC)CC(C)C ZINC000308094121 572680861 /nfs/dbraw/zinc/68/08/61/572680861.db2.gz KCFNJSRXVGQSGH-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H]([NH2+]CC)[C@@H](CC)CC(C)C ZINC000308094122 572679385 /nfs/dbraw/zinc/67/93/85/572679385.db2.gz KCFNJSRXVGQSGH-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CC)[C@H](CC)CC(C)C ZINC000308096317 572699814 /nfs/dbraw/zinc/69/98/14/572699814.db2.gz NDHAIRXLQWULSX-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](CC)[C@H](CC)CC(C)C ZINC000308096318 572699097 /nfs/dbraw/zinc/69/90/97/572699097.db2.gz NDHAIRXLQWULSX-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](CC)[C@@H](CC)CC(C)C ZINC000308096319 572700959 /nfs/dbraw/zinc/70/09/59/572700959.db2.gz NDHAIRXLQWULSX-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](CC)[C@@H](CC)CC(C)C ZINC000308096320 572700440 /nfs/dbraw/zinc/70/04/40/572700440.db2.gz NDHAIRXLQWULSX-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](C)[C@@H](C)[NH2+]C(C)(CC)CC ZINC000308116492 572759119 /nfs/dbraw/zinc/75/91/19/572759119.db2.gz ZPPDJGMSHOGOOW-GHMZBOCLSA-N 1 0 185.355 3.589 10 0 AHAERO CC[C@@H](C)[C@H](C)[NH2+]C(C)(CC)CC ZINC000308116494 572759162 /nfs/dbraw/zinc/75/91/62/572759162.db2.gz ZPPDJGMSHOGOOW-MNOVXSKESA-N 1 0 185.355 3.589 10 0 AHAERO CC[C@H](C)[C@H](C)[NH2+]C(C)(CC)CC ZINC000308116495 572759176 /nfs/dbraw/zinc/75/91/76/572759176.db2.gz ZPPDJGMSHOGOOW-QWRGUYRKSA-N 1 0 185.355 3.589 10 0 AHAERO CC[C@H](C)[C@@H](C)[NH2+]C(C)(CC)CC ZINC000308116497 572758403 /nfs/dbraw/zinc/75/84/03/572758403.db2.gz ZPPDJGMSHOGOOW-WDEREUQCSA-N 1 0 185.355 3.589 10 0 AHAERO C/C=C\C[NH2+][C@@H](CCC)CCCC ZINC000308120791 572764526 /nfs/dbraw/zinc/76/45/26/572764526.db2.gz HMUKRFFRSOHNCW-JECSTDCCSA-N 1 0 183.339 3.511 10 0 AHAERO C/C=C\C[NH2+][C@H](CCC)CCCC ZINC000308120793 572762023 /nfs/dbraw/zinc/76/20/23/572762023.db2.gz HMUKRFFRSOHNCW-VVEJJEBESA-N 1 0 183.339 3.511 10 0 AHAERO CCCCC[C@@H]([NH3+])[C@@H](C)CC(C)C ZINC000308128424 572790279 /nfs/dbraw/zinc/79/02/79/572790279.db2.gz AQDXNHHQILDRRC-NWDGAFQWSA-N 1 0 185.355 3.576 10 0 AHAERO CCCCC[C@H]([NH3+])[C@@H](C)CC(C)C ZINC000308128425 572789783 /nfs/dbraw/zinc/78/97/83/572789783.db2.gz AQDXNHHQILDRRC-RYUDHWBXSA-N 1 0 185.355 3.576 10 0 AHAERO CCCCC[C@@H]([NH3+])[C@H](C)CC(C)C ZINC000308128426 572791769 /nfs/dbraw/zinc/79/17/69/572791769.db2.gz AQDXNHHQILDRRC-VXGBXAGGSA-N 1 0 185.355 3.576 10 0 AHAERO C[C@@H](CCC[NH3+])CCCC(C)(C)C ZINC000308137350 572808600 /nfs/dbraw/zinc/80/86/00/572808600.db2.gz PKQQIRSJDVNWEO-LLVKDONJSA-N 1 0 185.355 3.578 10 0 AHAERO C[C@H](CCC[NH3+])CCCC(C)(C)C ZINC000308137352 572808282 /nfs/dbraw/zinc/80/82/82/572808282.db2.gz PKQQIRSJDVNWEO-NSHDSACASA-N 1 0 185.355 3.578 10 0 AHAERO CC[C@@H](C)[C@@H](C)[N@H+](C)C(C)(C)CC ZINC000308167733 572887081 /nfs/dbraw/zinc/88/70/81/572887081.db2.gz AGHSRKMZXVQCEL-GHMZBOCLSA-N 1 0 185.355 3.541 10 0 AHAERO CC[C@@H](C)[C@H](C)[N@H+](C)C(C)(C)CC ZINC000308167741 572885600 /nfs/dbraw/zinc/88/56/00/572885600.db2.gz AGHSRKMZXVQCEL-MNOVXSKESA-N 1 0 185.355 3.541 10 0 AHAERO CC[C@H](C)[C@H](C)[N@H+](C)C(C)(C)CC ZINC000308167748 572887088 /nfs/dbraw/zinc/88/70/88/572887088.db2.gz AGHSRKMZXVQCEL-QWRGUYRKSA-N 1 0 185.355 3.541 10 0 AHAERO CC[C@H](C)[C@@H](C)[N@H+](C)C(C)(C)CC ZINC000308167751 572886882 /nfs/dbraw/zinc/88/68/82/572886882.db2.gz AGHSRKMZXVQCEL-WDEREUQCSA-N 1 0 185.355 3.541 10 0 AHAERO CCCCC/C=C(\C)CCCC[NH3+] ZINC000308175685 572897928 /nfs/dbraw/zinc/89/79/28/572897928.db2.gz ASUGIJYREJTLNS-FMIVXFBMSA-N 1 0 183.339 3.642 10 0 AHAERO CCCCC/C=C(/C)CCCC[NH3+] ZINC000308175687 572898110 /nfs/dbraw/zinc/89/81/10/572898110.db2.gz ASUGIJYREJTLNS-XFXZXTDPSA-N 1 0 183.339 3.642 10 0 AHAERO CC/C=C\CC[NH2+]C(C)(CC)CC ZINC000308190347 572921393 /nfs/dbraw/zinc/92/13/93/572921393.db2.gz NGNPGTFRYSSYDC-HJWRWDBZSA-N 1 0 183.339 3.511 10 0 AHAERO CCC[C@H](C)C[C@@H](C)CCCC[NH3+] ZINC000308206893 572935260 /nfs/dbraw/zinc/93/52/60/572935260.db2.gz UEFUWSBLLJRATQ-RYUDHWBXSA-N 1 0 185.355 3.578 10 0 AHAERO CCC[N@H+](CCC(C)C)C(C)(C)C ZINC000308210690 572942999 /nfs/dbraw/zinc/94/29/99/572942999.db2.gz GFGRDSLIMZJNKR-UHFFFAOYSA-N 1 0 185.355 3.543 10 0 AHAERO CCCC[C@@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308211030 572943652 /nfs/dbraw/zinc/94/36/52/572943652.db2.gz GKESZNAKDOYIFE-SNVBAGLBSA-N 1 0 185.355 3.576 10 0 AHAERO CCCC[C@@H](C)[NH2+]C(C)(C)C(C)C ZINC000308212551 572945238 /nfs/dbraw/zinc/94/52/38/572945238.db2.gz HERAWFKRKVUGLE-LLVKDONJSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@H](C)[NH2+]C(C)(C)C(C)C ZINC000308212552 572944294 /nfs/dbraw/zinc/94/42/94/572944294.db2.gz HERAWFKRKVUGLE-NSHDSACASA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@@H](C)[C@H](C)[N@H+](CC)CCC ZINC000308214510 572948560 /nfs/dbraw/zinc/94/85/60/572948560.db2.gz IITYXKAGLHNHEY-NEPJUHHUSA-N 1 0 185.355 3.543 10 0 AHAERO CCC[C@@H](C)[C@@H](C)[N@H+](CC)CCC ZINC000308214513 572949934 /nfs/dbraw/zinc/94/99/34/572949934.db2.gz IITYXKAGLHNHEY-VXGBXAGGSA-N 1 0 185.355 3.543 10 0 AHAERO CCC[C@H](C)[C@@H](C)[N@H+](CC)C(C)C ZINC000308231795 573002153 /nfs/dbraw/zinc/00/21/53/573002153.db2.gz OZMNNQSONKIJJN-NWDGAFQWSA-N 1 0 185.355 3.541 10 0 AHAERO CCC[C@H](C)[C@H](C)[N@H+](CC)C(C)C ZINC000308231796 573002831 /nfs/dbraw/zinc/00/28/31/573002831.db2.gz OZMNNQSONKIJJN-RYUDHWBXSA-N 1 0 185.355 3.541 10 0 AHAERO CCC[C@@H](C)[C@@H](C)[N@H+](CC)C(C)C ZINC000308231797 573005434 /nfs/dbraw/zinc/00/54/34/573005434.db2.gz OZMNNQSONKIJJN-VXGBXAGGSA-N 1 0 185.355 3.541 10 0 AHAERO CC[N@H+](C(C)C)[C@@H](C)c1cccs1 ZINC000308241259 573058635 /nfs/dbraw/zinc/05/86/35/573058635.db2.gz SUWHYCYUSSDALK-JTQLQIEISA-N 1 0 197.347 3.539 10 0 AHAERO CCCC[N@H+](C)[C@H](C)CCC(C)C ZINC000308245629 573067948 /nfs/dbraw/zinc/06/79/48/573067948.db2.gz VMFFFGIYANRQFK-GFCCVEGCSA-N 1 0 185.355 3.543 10 0 AHAERO CCCC[N@H+](C)[C@@H](C)CCC(C)C ZINC000308245630 573070627 /nfs/dbraw/zinc/07/06/27/573070627.db2.gz VMFFFGIYANRQFK-LBPRGKRZSA-N 1 0 185.355 3.543 10 0 AHAERO CCC[C@H](C)[N@H+](CC)CC(C)(C)C ZINC000308247482 573048404 /nfs/dbraw/zinc/04/84/04/573048404.db2.gz XQHMEVBVHRUSEX-NSHDSACASA-N 1 0 185.355 3.543 10 0 AHAERO CCC(CC)CC[NH2+]C(CC)CC ZINC000308250509 573075317 /nfs/dbraw/zinc/07/53/17/573075317.db2.gz AVPIEJXZTZXWKC-UHFFFAOYSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000308254855 573097419 /nfs/dbraw/zinc/09/74/19/573097419.db2.gz DFLNLNYTYBTKDE-CLLJXQQHSA-N 1 0 197.366 3.733 10 0 AHAERO C/C=C\[C@H](C)C/C=C\C[NH2+]CCCC ZINC000308255476 573098881 /nfs/dbraw/zinc/09/88/81/573098881.db2.gz HNPRFBJKTFOSMC-QREUDBGLSA-N 1 0 195.350 3.535 10 0 AHAERO C/C=C\[C@H](C)C/C=C/C[NH2+]CCCC ZINC000308255477 573098507 /nfs/dbraw/zinc/09/85/07/573098507.db2.gz HNPRFBJKTFOSMC-RDWIKDMPSA-N 1 0 195.350 3.535 10 0 AHAERO C/C=C/[C@H](C)C/C=C\C[NH2+]CCCC ZINC000308255479 573095803 /nfs/dbraw/zinc/09/58/03/573095803.db2.gz HNPRFBJKTFOSMC-SWMMVFBXSA-N 1 0 195.350 3.535 10 0 AHAERO C=C=C(CCCCC)[C@H]([NH2+]C)C(C)C ZINC000308258236 573091418 /nfs/dbraw/zinc/09/14/18/573091418.db2.gz AMVJNVXIWKLPCW-CYBMUJFWSA-N 1 0 195.350 3.522 10 0 AHAERO CCCCCCC(C)=C=CCCC[NH3+] ZINC000308261580 573114545 /nfs/dbraw/zinc/11/45/45/573114545.db2.gz LMGMUZVFNCTZNP-UHFFFAOYSA-N 1 0 195.350 3.797 10 0 AHAERO CCCCC[C@H]1CC[C@@H]([NH2+]CC)CC1 ZINC000308263713 573111354 /nfs/dbraw/zinc/11/13/54/573111354.db2.gz RLTJFDGIUUHOMJ-BETUJISGSA-N 1 0 197.366 3.735 10 0 AHAERO C=C/C=C\CCC[NH2+]CCCCCC ZINC000308264574 573112638 /nfs/dbraw/zinc/11/26/38/573112638.db2.gz UERRRMYURMOSJR-ALCCZGGFSA-N 1 0 195.350 3.679 10 0 AHAERO CC/C=C\CCCCC[C@@H]1CCC[NH2+]1 ZINC000308271994 573129279 /nfs/dbraw/zinc/12/92/79/573129279.db2.gz CLMZOPCZNHVUOB-DHCBQETCSA-N 1 0 195.350 3.655 10 0 AHAERO CCC[C@H](C)[NH2+]C(C)(C)C(C)(C)C ZINC000308299583 573192020 /nfs/dbraw/zinc/19/20/20/573192020.db2.gz JRYDUCMTOQMOSX-JTQLQIEISA-N 1 0 185.355 3.589 10 0 AHAERO CCC(CC)[NH2+]C(C)(C)C(C)(C)C ZINC000308317149 573223472 /nfs/dbraw/zinc/22/34/72/573223472.db2.gz XUMBSCHZJNCLFU-UHFFFAOYSA-N 1 0 185.355 3.589 10 0 AHAERO C[NH2+][C@H](C)/C=C\C1CCCCCCC1 ZINC000308347327 573319328 /nfs/dbraw/zinc/31/93/28/573319328.db2.gz CXCATPYFPRUSAC-NLYDNYMLSA-N 1 0 195.350 3.511 10 0 AHAERO C[NH2+][C@@H](C)/C=C\C1CCCCCCC1 ZINC000308347328 573320435 /nfs/dbraw/zinc/32/04/35/573320435.db2.gz CXCATPYFPRUSAC-WEHUKYGOSA-N 1 0 195.350 3.511 10 0 AHAERO C[NH2+]C/C(C)=C\C1CCCCCCC1 ZINC000308349765 573337582 /nfs/dbraw/zinc/33/75/82/573337582.db2.gz LYJYRHLWWRSFAY-BENRWUELSA-N 1 0 195.350 3.513 10 0 AHAERO C[NH2+]CC/C=C(\C)C[C@H](C)CC(C)C ZINC000308351979 573341662 /nfs/dbraw/zinc/34/16/62/573341662.db2.gz RNIGBQWVBUIKPB-BWODNOAJSA-N 1 0 197.366 3.615 10 0 AHAERO C[NH2+]CC/C=C(\C)C[C@@H](C)CC(C)C ZINC000308351980 573342750 /nfs/dbraw/zinc/34/27/50/573342750.db2.gz RNIGBQWVBUIKPB-WHGQRRHOSA-N 1 0 197.366 3.615 10 0 AHAERO C/C(=C\[C@H](C)CC(C)C)C[NH2+]C(C)C ZINC000308352295 573340524 /nfs/dbraw/zinc/34/05/24/573340524.db2.gz CNFAKPUKLUJBTC-FMNNIJNLSA-N 1 0 197.366 3.613 10 0 AHAERO C/C(=C\[C@@H](C)CC(C)C)C[NH2+]C(C)C ZINC000308352297 573339519 /nfs/dbraw/zinc/33/95/19/573339519.db2.gz CNFAKPUKLUJBTC-OXBCTQFSSA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)C[C@@H](C)/C=C\C[NH2+]C(C)(C)C ZINC000308352348 573341708 /nfs/dbraw/zinc/34/17/08/573341708.db2.gz CZERQXSZDBSJIL-KRZKBDHCSA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)C[C@H](C)/C=C\C[NH2+]C(C)(C)C ZINC000308352350 573342118 /nfs/dbraw/zinc/34/21/18/573342118.db2.gz CZERQXSZDBSJIL-QDZRJHCZSA-N 1 0 197.366 3.613 10 0 AHAERO CC[NH2+]CC/C=C\C1CCCCCC1 ZINC000308353307 573340506 /nfs/dbraw/zinc/34/05/06/573340506.db2.gz VGJBUTOQURLGOY-XFFZJAGNSA-N 1 0 195.350 3.513 10 0 AHAERO C/C(=C/C1CCCCCCC1)[C@@H](C)[NH3+] ZINC000308353316 573339919 /nfs/dbraw/zinc/33/99/19/573339919.db2.gz VJQYQMNJSVEXHP-NLYDNYMLSA-N 1 0 195.350 3.640 10 0 AHAERO C/C(=C/C1CCCCCCC1)[C@H](C)[NH3+] ZINC000308353317 573338592 /nfs/dbraw/zinc/33/85/92/573338592.db2.gz VJQYQMNJSVEXHP-WEHUKYGOSA-N 1 0 195.350 3.640 10 0 AHAERO CCC[NH2+]CC/C=C\CC(CC)CC ZINC000308353349 573340411 /nfs/dbraw/zinc/34/04/11/573340411.db2.gz VTHVEGRSKBSNSQ-FPLPWBNLSA-N 1 0 197.366 3.759 10 0 AHAERO CC[NH2+][C@H](C)/C(C)=C\[C@@H](C)CC(C)C ZINC000308353771 573344866 /nfs/dbraw/zinc/34/48/66/573344866.db2.gz IAVUXDDRUBIOPC-FTNLVMBUSA-N 1 0 197.366 3.613 10 0 AHAERO CCC[C@@H](C)[N@H+](C)[C@H](C)C(C)(C)C ZINC000308356632 573354318 /nfs/dbraw/zinc/35/43/18/573354318.db2.gz KXSCOXJWLCJLGE-GHMZBOCLSA-N 1 0 185.355 3.541 10 0 AHAERO CCC[C@@H](C)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000308356634 573352824 /nfs/dbraw/zinc/35/28/24/573352824.db2.gz KXSCOXJWLCJLGE-MNOVXSKESA-N 1 0 185.355 3.541 10 0 AHAERO CCC[C@H](C)[N@H+](C)[C@H](C)C(C)(C)C ZINC000308356639 573354649 /nfs/dbraw/zinc/35/46/49/573354649.db2.gz KXSCOXJWLCJLGE-WDEREUQCSA-N 1 0 185.355 3.541 10 0 AHAERO CCC/C=C\[C@@H]1CC[C@@H](CCCC)[NH2+]1 ZINC000308358051 573347464 /nfs/dbraw/zinc/34/74/64/573347464.db2.gz DUFVIQPPGGVZMS-JKOXKOMZSA-N 1 0 195.350 3.654 10 0 AHAERO CCC/C=C\[C@@H]1CC[C@H](CCCC)[NH2+]1 ZINC000308358054 573349888 /nfs/dbraw/zinc/34/98/88/573349888.db2.gz DUFVIQPPGGVZMS-YKNITIARSA-N 1 0 195.350 3.654 10 0 AHAERO CCC[NH2+][C@H](C)/C=C\[C@@H](C)CC(C)C ZINC000308361706 573355333 /nfs/dbraw/zinc/35/53/33/573355333.db2.gz WZFQBCHIYAJEOC-OTHLQRGRSA-N 1 0 197.366 3.613 10 0 AHAERO CCC[NH2+][C@H](C)/C=C\[C@H](C)CC(C)C ZINC000308361707 573352812 /nfs/dbraw/zinc/35/28/12/573352812.db2.gz WZFQBCHIYAJEOC-YMVSPQSISA-N 1 0 197.366 3.613 10 0 AHAERO C/C(=C\CC(C)C)C[C@@H]1CCCC[NH2+]1 ZINC000308365054 573359266 /nfs/dbraw/zinc/35/92/66/573359266.db2.gz MLAKIHADYYHHNV-RPHSKFLZSA-N 1 0 195.350 3.511 10 0 AHAERO C/C(=C\CC(C)C)C[C@H]1CCCC[NH2+]1 ZINC000308365055 573361290 /nfs/dbraw/zinc/36/12/90/573361290.db2.gz MLAKIHADYYHHNV-YQCJOKCJSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC[C@@H](C)[C@@H](C)[NH2+]C(C)(C)C ZINC000308366152 573370574 /nfs/dbraw/zinc/37/05/74/573370574.db2.gz ODHXIMGQRPNASY-GHMZBOCLSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@@H](C)[C@H](C)[NH2+]C(C)(C)C ZINC000308366153 573372664 /nfs/dbraw/zinc/37/26/64/573372664.db2.gz ODHXIMGQRPNASY-MNOVXSKESA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@H](C)[C@H](C)[NH2+]C(C)(C)C ZINC000308366154 573371180 /nfs/dbraw/zinc/37/11/80/573371180.db2.gz ODHXIMGQRPNASY-QWRGUYRKSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC[C@H](C)[C@@H](C)[NH2+]C(C)(C)C ZINC000308366156 573370775 /nfs/dbraw/zinc/37/07/75/573370775.db2.gz ODHXIMGQRPNASY-WDEREUQCSA-N 1 0 185.355 3.589 10 0 AHAERO CCCC/C=C(\C)C[C@@H]1CCCC[NH2+]1 ZINC000308369674 573363428 /nfs/dbraw/zinc/36/34/28/573363428.db2.gz WQSPDHNKAJVJCF-RPHSKFLZSA-N 1 0 195.350 3.655 10 0 AHAERO CCCC/C=C(\C)C[C@H]1CCCC[NH2+]1 ZINC000308369676 573365591 /nfs/dbraw/zinc/36/55/91/573365591.db2.gz WQSPDHNKAJVJCF-YQCJOKCJSA-N 1 0 195.350 3.655 10 0 AHAERO CCC[NH+](CCC)[C@@H](C)[C@H](C)CC ZINC000308370113 573372688 /nfs/dbraw/zinc/37/26/88/573372688.db2.gz PXJOCFIDHDDSRX-NEPJUHHUSA-N 1 0 185.355 3.543 10 0 AHAERO CCC[NH+](CCC)[C@H](C)[C@@H](C)CC ZINC000308370114 573368324 /nfs/dbraw/zinc/36/83/24/573368324.db2.gz PXJOCFIDHDDSRX-NWDGAFQWSA-N 1 0 185.355 3.543 10 0 AHAERO CCC[NH+](CCC)[C@@H](C)[C@@H](C)CC ZINC000308370115 573368317 /nfs/dbraw/zinc/36/83/17/573368317.db2.gz PXJOCFIDHDDSRX-RYUDHWBXSA-N 1 0 185.355 3.543 10 0 AHAERO CCC[NH+](CCC)[C@H](C)[C@H](C)CC ZINC000308370116 573372625 /nfs/dbraw/zinc/37/26/25/573372625.db2.gz PXJOCFIDHDDSRX-VXGBXAGGSA-N 1 0 185.355 3.543 10 0 AHAERO CC(C)=CCC/C(C)=C/C[C@@H](C)C[NH3+] ZINC000308370590 573380819 /nfs/dbraw/zinc/38/08/19/573380819.db2.gz QUWGRMISWIEREU-YQCJOKCJSA-N 1 0 195.350 3.664 10 0 AHAERO C/C=C\CC[NH2+][C@@H](C)C1CCCCC1 ZINC000308371910 573381470 /nfs/dbraw/zinc/38/14/70/573381470.db2.gz DORSGGIHOVCVRF-MVZIDQBPSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C\CC[NH2+][C@H](C)C1CCCCC1 ZINC000308371912 573384640 /nfs/dbraw/zinc/38/46/40/573384640.db2.gz DORSGGIHOVCVRF-VSQXVHSFSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[C@@H]([NH2+]C(C)C)c1ccsc1 ZINC000308373026 573384926 /nfs/dbraw/zinc/38/49/26/573384926.db2.gz QVPWFZMPEOBUGN-LLVKDONJSA-N 1 0 197.347 3.587 10 0 AHAERO CCC[C@H]([NH2+]C(C)C)c1ccsc1 ZINC000308373027 573386175 /nfs/dbraw/zinc/38/61/75/573386175.db2.gz QVPWFZMPEOBUGN-NSHDSACASA-N 1 0 197.347 3.587 10 0 AHAERO CCC[C@@H](C)[NH2+][C@H](CC)C(C)(C)C ZINC000308374051 573370935 /nfs/dbraw/zinc/37/09/35/573370935.db2.gz RJOPUKWGCJGEFO-GHMZBOCLSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@@H](C)[NH2+][C@@H](CC)C(C)(C)C ZINC000308374053 573372130 /nfs/dbraw/zinc/37/21/30/573372130.db2.gz RJOPUKWGCJGEFO-MNOVXSKESA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@H](C)[NH2+][C@@H](CC)C(C)(C)C ZINC000308374055 573371313 /nfs/dbraw/zinc/37/13/13/573371313.db2.gz RJOPUKWGCJGEFO-QWRGUYRKSA-N 1 0 185.355 3.589 10 0 AHAERO CCC[C@H](C)[NH2+][C@H](CC)C(C)(C)C ZINC000308374057 573370827 /nfs/dbraw/zinc/37/08/27/573370827.db2.gz RJOPUKWGCJGEFO-WDEREUQCSA-N 1 0 185.355 3.589 10 0 AHAERO C/C=C\CC[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000308377746 573378832 /nfs/dbraw/zinc/37/88/32/573378832.db2.gz PAYIPSONJBLYPP-QMVVBGKPSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C\CC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000308377748 573379211 /nfs/dbraw/zinc/37/92/11/573379211.db2.gz PAYIPSONJBLYPP-UNIPXTFRSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C\CC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000308382932 573401983 /nfs/dbraw/zinc/40/19/83/573401983.db2.gz YMEOHMVZCDPRFR-FGTRRKKMSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C\CC[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000308382936 573401680 /nfs/dbraw/zinc/40/16/80/573401680.db2.gz YMEOHMVZCDPRFR-RSNNXLNZSA-N 1 0 195.350 3.511 10 0 AHAERO CC/C=C/CC[NH2+]C(C)(C)CCC ZINC000308383118 573407943 /nfs/dbraw/zinc/40/79/43/573407943.db2.gz VMJROTVACZFQRC-BQYQJAHWSA-N 1 0 183.339 3.511 10 0 AHAERO CC/C=C\CC[NH2+]C(C)(C)CCC ZINC000308383119 573407807 /nfs/dbraw/zinc/40/78/07/573407807.db2.gz VMJROTVACZFQRC-FPLPWBNLSA-N 1 0 183.339 3.511 10 0 AHAERO C/C=C\CC[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000308391062 573471470 /nfs/dbraw/zinc/47/14/70/573471470.db2.gz LEXYIGDCONICAN-QMVVBGKPSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C\CC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000308391064 573474724 /nfs/dbraw/zinc/47/47/24/573474724.db2.gz LEXYIGDCONICAN-UNIPXTFRSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C\CC[NH2+][C@H](C)CCCCCC ZINC000308391341 573471785 /nfs/dbraw/zinc/47/17/85/573471785.db2.gz LUAPAAOGHYXLJD-SCXUMTSISA-N 1 0 197.366 3.901 10 0 AHAERO C/C=C\CC[NH2+][C@@H](C)CCCCCC ZINC000308391342 573474605 /nfs/dbraw/zinc/47/46/05/573474605.db2.gz LUAPAAOGHYXLJD-VGVVRCBHSA-N 1 0 197.366 3.901 10 0 AHAERO C/C=C\CC[NH2+]C1CCCCCCC1 ZINC000308394554 573492159 /nfs/dbraw/zinc/49/21/59/573492159.db2.gz VJZOUZYAFZDSAH-IHWYPQMZSA-N 1 0 195.350 3.655 10 0 AHAERO C/C=C\C[NH2+]CCCCCCC(C)C ZINC000308401562 573579069 /nfs/dbraw/zinc/57/90/69/573579069.db2.gz RMFGAWPGCIUQRP-PLNGDYQASA-N 1 0 197.366 3.759 10 0 AHAERO CCC[C@@H](C)/C(C)=C\CC[NH2+]C(C)C ZINC000308402055 573585591 /nfs/dbraw/zinc/58/55/91/573585591.db2.gz VQXQFQWOJASRLV-FNWMBBJUSA-N 1 0 197.366 3.757 10 0 AHAERO CCC[C@H](C)/C(C)=C\CC[NH2+]C(C)C ZINC000308402057 573585228 /nfs/dbraw/zinc/58/52/28/573585228.db2.gz VQXQFQWOJASRLV-VWLVURMCSA-N 1 0 197.366 3.757 10 0 AHAERO CCCCC[NH2+][C@H](CC)C(C)(C)C ZINC000308403472 491101736 /nfs/dbraw/zinc/10/17/36/491101736.db2.gz IIULZIVYUXRLEZ-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCCCC[NH2+][C@@H](CC)C(C)(C)C ZINC000308403473 491101616 /nfs/dbraw/zinc/10/16/16/491101616.db2.gz IIULZIVYUXRLEZ-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCCCCC[NH2+]C(C)(C)C(C)C ZINC000308403480 573585528 /nfs/dbraw/zinc/58/55/28/573585528.db2.gz IJEYGMRGWCVJEX-UHFFFAOYSA-N 1 0 185.355 3.591 10 0 AHAERO C/C(=C/CC[NH3+])C1=CCCCCCC1 ZINC000308412224 573674155 /nfs/dbraw/zinc/67/41/55/573674155.db2.gz HAOLEWNYPBLHNK-FKSLOVGBSA-N 1 0 193.334 3.562 10 0 AHAERO CCC[NH2+][C@@H](C)/C=C\C1CCCCC1 ZINC000308428326 573740369 /nfs/dbraw/zinc/74/03/69/573740369.db2.gz AUQJSTMQZNSIKV-PRDAAYKISA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@H](C)/C=C\C1CCCCC1 ZINC000308428330 573740768 /nfs/dbraw/zinc/74/07/68/573740768.db2.gz AUQJSTMQZNSIKV-ZWLSGLHFSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[C@@H](C)[NH2+]CCC(CC)CC ZINC000308432910 573789127 /nfs/dbraw/zinc/78/91/27/573789127.db2.gz UQZPOJFWQRJTTR-LLVKDONJSA-N 1 0 185.355 3.591 10 0 AHAERO CCC[C@H](C)[NH2+]CCC(CC)CC ZINC000308432911 573788827 /nfs/dbraw/zinc/78/88/27/573788827.db2.gz UQZPOJFWQRJTTR-NSHDSACASA-N 1 0 185.355 3.591 10 0 AHAERO CCC[N@H+](C)[C@@H](CC)c1cccs1 ZINC000308437406 573784107 /nfs/dbraw/zinc/78/41/07/573784107.db2.gz XIFPKRJKYMGSOT-JTQLQIEISA-N 1 0 197.347 3.541 10 0 AHAERO CCC[N@H+](C)[C@H](CC)c1cccs1 ZINC000308437407 573785964 /nfs/dbraw/zinc/78/59/64/573785964.db2.gz XIFPKRJKYMGSOT-SNVBAGLBSA-N 1 0 197.347 3.541 10 0 AHAERO CCC[C@@H](C)[N@H+](CC)[C@@H](C)C(C)C ZINC000308443490 573802740 /nfs/dbraw/zinc/80/27/40/573802740.db2.gz ACAHBTGJLPVTSU-NEPJUHHUSA-N 1 0 185.355 3.541 10 0 AHAERO CCC[C@H](C)[N@H+](CC)[C@H](C)C(C)C ZINC000308443491 573801755 /nfs/dbraw/zinc/80/17/55/573801755.db2.gz ACAHBTGJLPVTSU-NWDGAFQWSA-N 1 0 185.355 3.541 10 0 AHAERO CCC[C@H](C)[N@H+](CC)[C@@H](C)C(C)C ZINC000308443492 573801309 /nfs/dbraw/zinc/80/13/09/573801309.db2.gz ACAHBTGJLPVTSU-RYUDHWBXSA-N 1 0 185.355 3.541 10 0 AHAERO CCC[C@@H](C)[N@H+](CC)[C@H](C)C(C)C ZINC000308443493 573801271 /nfs/dbraw/zinc/80/12/71/573801271.db2.gz ACAHBTGJLPVTSU-VXGBXAGGSA-N 1 0 185.355 3.541 10 0 AHAERO C[NH2+][C@@H](CC(C)(C)C)[C@H](C)CC(C)C ZINC000308451346 573836877 /nfs/dbraw/zinc/83/68/77/573836877.db2.gz CMMTYHXHSHLSHT-NEPJUHHUSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@@H](CC(C)(C)C)[C@@H](C)CC(C)C ZINC000308451350 573837257 /nfs/dbraw/zinc/83/72/57/573837257.db2.gz CMMTYHXHSHLSHT-RYUDHWBXSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](CC(C)(C)C)[C@H](C)CC(C)C ZINC000308451352 573836444 /nfs/dbraw/zinc/83/64/44/573836444.db2.gz CMMTYHXHSHLSHT-VXGBXAGGSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])C(C(C)C)C(C)C ZINC000308451961 573846528 /nfs/dbraw/zinc/84/65/28/573846528.db2.gz CQFLCXGIWYDRDR-AAEUAGOBSA-N 1 0 199.382 3.678 10 0 AHAERO CCC[C@@H](C)[C@@H]([NH3+])C(C(C)C)C(C)C ZINC000308451972 573847595 /nfs/dbraw/zinc/84/75/95/573847595.db2.gz CQFLCXGIWYDRDR-DGCLKSJQSA-N 1 0 199.382 3.678 10 0 AHAERO CCC[C@H](C)[C@@H]([NH3+])C(C(C)C)C(C)C ZINC000308451974 573846887 /nfs/dbraw/zinc/84/68/87/573846887.db2.gz CQFLCXGIWYDRDR-WCQYABFASA-N 1 0 199.382 3.678 10 0 AHAERO CCC[C@@H](C)[C@H]([NH3+])C(C(C)C)C(C)C ZINC000308451976 573845788 /nfs/dbraw/zinc/84/57/88/573845788.db2.gz CQFLCXGIWYDRDR-YPMHNXCESA-N 1 0 199.382 3.678 10 0 AHAERO CCC[NH2+][C@@H](C)CC1CCC(C)CC1 ZINC000308452167 573846953 /nfs/dbraw/zinc/84/69/53/573846953.db2.gz AAYQBVOGQXGDHE-CPCZMJQVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](C)CC1CCC(C)CC1 ZINC000308452169 573848549 /nfs/dbraw/zinc/84/85/49/573848549.db2.gz AAYQBVOGQXGDHE-OTTFEQOBSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C[NH2+]C(C)C)[C@H](C)CC(C)C ZINC000308452538 573846598 /nfs/dbraw/zinc/84/65/98/573846598.db2.gz CUALJUAHRFIKJB-CHWSQXEVSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](C[NH2+]C(C)C)[C@H](C)CC(C)C ZINC000308452539 573847796 /nfs/dbraw/zinc/84/77/96/573847796.db2.gz CUALJUAHRFIKJB-OLZOCXBDSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C[NH2+]C(C)C)[C@@H](C)CC(C)C ZINC000308452541 573846271 /nfs/dbraw/zinc/84/62/71/573846271.db2.gz CUALJUAHRFIKJB-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](C[NH2+]C(C)C)[C@@H](C)CC(C)C ZINC000308452542 573846501 /nfs/dbraw/zinc/84/65/01/573846501.db2.gz CUALJUAHRFIKJB-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@@H](C)[NH3+] ZINC000308453545 573849291 /nfs/dbraw/zinc/84/92/91/573849291.db2.gz ASKGEVWBSWYVEK-FDYHWXHSSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C[C@@H]1CCC[C@H](C)C1)[C@@H](C)[NH3+] ZINC000308453548 573846827 /nfs/dbraw/zinc/84/68/27/573846827.db2.gz ASKGEVWBSWYVEK-UMSGYPCISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C[C@@H]1CCC[C@H](C)C1)[C@H](C)[NH3+] ZINC000308453550 573846083 /nfs/dbraw/zinc/84/60/83/573846083.db2.gz ASKGEVWBSWYVEK-WUHRBBMRSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C[C@@H]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000308453552 573847989 /nfs/dbraw/zinc/84/79/89/573847989.db2.gz ASKGEVWBSWYVEK-YVECIDJPSA-N 1 0 197.366 3.576 10 0 AHAERO CC[NH2+][C@H](C)C[C@H](C)[C@H](C)CC(C)C ZINC000308453877 573854975 /nfs/dbraw/zinc/85/49/75/573854975.db2.gz DBTISVAZIXSDPM-FRRDWIJNSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](C)C[C@@H](C)[C@H](C)CC(C)C ZINC000308453879 573854119 /nfs/dbraw/zinc/85/41/19/573854119.db2.gz DBTISVAZIXSDPM-JHJVBQTASA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](C)C[C@H](C)[C@@H](C)CC(C)C ZINC000308453881 573854232 /nfs/dbraw/zinc/85/42/32/573854232.db2.gz DBTISVAZIXSDPM-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](C)C[C@@H](C)[C@@H](C)CC(C)C ZINC000308453882 573855093 /nfs/dbraw/zinc/85/50/93/573855093.db2.gz DBTISVAZIXSDPM-YNEHKIRRSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+]CC/C=C/[C@H](C)CC(C)C ZINC000308453900 573851614 /nfs/dbraw/zinc/85/16/14/573851614.db2.gz DBZONTXZDQEVEQ-CFNZNRNTSA-N 1 0 197.366 3.615 10 0 AHAERO CCC[NH2+]CC/C=C\[C@@H](C)CC(C)C ZINC000308453901 573851449 /nfs/dbraw/zinc/85/14/49/573851449.db2.gz DBZONTXZDQEVEQ-FWPCIQOSSA-N 1 0 197.366 3.615 10 0 AHAERO CCC[NH2+]CC/C=C/[C@@H](C)CC(C)C ZINC000308453903 573853155 /nfs/dbraw/zinc/85/31/55/573853155.db2.gz DBZONTXZDQEVEQ-STMXVASLSA-N 1 0 197.366 3.615 10 0 AHAERO CCC[NH2+]CC/C=C\[C@H](C)CC(C)C ZINC000308453906 573854965 /nfs/dbraw/zinc/85/49/65/573854965.db2.gz DBZONTXZDQEVEQ-WOLRVDTOSA-N 1 0 197.366 3.615 10 0 AHAERO CC(C)C[C@H](C)[C@H]([NH3+])C1CCCCC1 ZINC000308456014 573857660 /nfs/dbraw/zinc/85/76/60/573857660.db2.gz DWBNBDOTHAYYHB-AAEUAGOBSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@H](C)[C@@H]([NH3+])C1CCCCC1 ZINC000308456016 573856838 /nfs/dbraw/zinc/85/68/38/573856838.db2.gz DWBNBDOTHAYYHB-DGCLKSJQSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@H](C)[C@@H]([NH3+])C1CCCCC1 ZINC000308456017 573859356 /nfs/dbraw/zinc/85/93/56/573859356.db2.gz DWBNBDOTHAYYHB-WCQYABFASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@H](C)[C@H]([NH3+])C1CCCCC1 ZINC000308456018 573856909 /nfs/dbraw/zinc/85/69/09/573856909.db2.gz DWBNBDOTHAYYHB-YPMHNXCESA-N 1 0 197.366 3.576 10 0 AHAERO CC[NH2+][C@H](C)CCC(C(C)C)C(C)C ZINC000308456777 573856442 /nfs/dbraw/zinc/85/64/42/573856442.db2.gz FAWJSUWMSLWSHK-GFCCVEGCSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@@H](C)CCC(C(C)C)C(C)C ZINC000308456778 573859868 /nfs/dbraw/zinc/85/98/68/573859868.db2.gz FAWJSUWMSLWSHK-LBPRGKRZSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](C)C[NH2+][C@@H]1C=CCCCCC1 ZINC000308456966 573858124 /nfs/dbraw/zinc/85/81/24/573858124.db2.gz LWHARFCIJDIOBQ-CHWSQXEVSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@@H](C)C[NH2+][C@H]1C=CCCCCC1 ZINC000308456969 573855986 /nfs/dbraw/zinc/85/59/86/573855986.db2.gz LWHARFCIJDIOBQ-OLZOCXBDSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H](C)C[NH2+][C@@H]1C=CCCCCC1 ZINC000308456971 573859342 /nfs/dbraw/zinc/85/93/42/573859342.db2.gz LWHARFCIJDIOBQ-QWHCGFSZSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H](C)C[NH2+][C@H]1C=CCCCCC1 ZINC000308456974 573856092 /nfs/dbraw/zinc/85/60/92/573856092.db2.gz LWHARFCIJDIOBQ-STQMWFEESA-N 1 0 195.350 3.511 10 0 AHAERO C[C@@H]([NH3+])CCCC1CCC(C)(C)CC1 ZINC000308458071 573864542 /nfs/dbraw/zinc/86/45/42/573864542.db2.gz CFFCSRRJPQOCET-LLVKDONJSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[N@H+](C)[C@@H](C)c1ccsc1 ZINC000308458593 573872040 /nfs/dbraw/zinc/87/20/40/573872040.db2.gz GUPIKDYMFAMAJM-JTQLQIEISA-N 1 0 197.347 3.541 10 0 AHAERO CCCC[N@H+](C)[C@H](C)c1ccsc1 ZINC000308458594 573872331 /nfs/dbraw/zinc/87/23/31/573872331.db2.gz GUPIKDYMFAMAJM-SNVBAGLBSA-N 1 0 197.347 3.541 10 0 AHAERO C[NH2+][C@@H](C)CCCC1CCC(C)CC1 ZINC000308458671 573871653 /nfs/dbraw/zinc/87/16/53/573871653.db2.gz CNKMTWVKYDSQBN-CPCZMJQVSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)CCCC1CCC(C)CC1 ZINC000308458672 573867246 /nfs/dbraw/zinc/86/72/46/573867246.db2.gz CNKMTWVKYDSQBN-OTTFEQOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[NH2+][C@@H]1C=CCCCCC1 ZINC000308458861 573866479 /nfs/dbraw/zinc/86/64/79/573866479.db2.gz OOGYNSDBVNJRMJ-CHWSQXEVSA-N 1 0 195.350 3.654 10 0 AHAERO CCC[C@@H](C)[NH2+][C@H]1C=CCCCCC1 ZINC000308458864 573871529 /nfs/dbraw/zinc/87/15/29/573871529.db2.gz OOGYNSDBVNJRMJ-OLZOCXBDSA-N 1 0 195.350 3.654 10 0 AHAERO CCC[C@H](C)[NH2+][C@@H]1C=CCCCCC1 ZINC000308458866 573869683 /nfs/dbraw/zinc/86/96/83/573869683.db2.gz OOGYNSDBVNJRMJ-QWHCGFSZSA-N 1 0 195.350 3.654 10 0 AHAERO CCC[C@H](C)[NH2+][C@H]1C=CCCCCC1 ZINC000308458868 573866641 /nfs/dbraw/zinc/86/66/41/573866641.db2.gz OOGYNSDBVNJRMJ-STQMWFEESA-N 1 0 195.350 3.654 10 0 AHAERO CC(C)C([NH2+][C@H](C)C(C)(C)C)C(C)C ZINC000308459125 573869395 /nfs/dbraw/zinc/86/93/95/573869395.db2.gz FTZUGWRMAXTYCM-LLVKDONJSA-N 1 0 199.382 3.691 10 0 AHAERO CC(C)C([NH2+][C@@H](C)C(C)(C)C)C(C)C ZINC000308459126 573869046 /nfs/dbraw/zinc/86/90/46/573869046.db2.gz FTZUGWRMAXTYCM-NSHDSACASA-N 1 0 199.382 3.691 10 0 AHAERO C[NH2+]CC/C=C(\C)CCC1CCCC1 ZINC000308459869 573876346 /nfs/dbraw/zinc/87/63/46/573876346.db2.gz VJEMZDSNNNPCFG-WUXMJOGZSA-N 1 0 195.350 3.513 10 0 AHAERO CCC(CC)[NH2+][C@@H]1C=CCCCCC1 ZINC000308462442 573910479 /nfs/dbraw/zinc/91/04/79/573910479.db2.gz SJVYODPWNUQILJ-CYBMUJFWSA-N 1 0 195.350 3.654 10 0 AHAERO CCC(CC)[NH2+][C@H]1C=CCCCCC1 ZINC000308462443 573907004 /nfs/dbraw/zinc/90/70/04/573907004.db2.gz SJVYODPWNUQILJ-ZDUSSCGKSA-N 1 0 195.350 3.654 10 0 AHAERO CC[C@@H](C)[C@@H]([NH3+])CC1CCC(C)CC1 ZINC000308462799 573919538 /nfs/dbraw/zinc/91/95/38/573919538.db2.gz DYNHNCXEZXLTIW-KPFVRQRISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](C)[C@H]([NH3+])CC1CCC(C)CC1 ZINC000308462804 573919484 /nfs/dbraw/zinc/91/94/84/573919484.db2.gz DYNHNCXEZXLTIW-POOIEITISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)[C@H]([NH3+])CC1CCC(C)CC1 ZINC000308462806 573918921 /nfs/dbraw/zinc/91/89/21/573918921.db2.gz DYNHNCXEZXLTIW-PYNQCMFNSA-N 1 0 197.366 3.576 10 0 AHAERO CCCCC[NH2+][C@@H]1C=CCCCCC1 ZINC000308463526 573923173 /nfs/dbraw/zinc/92/31/73/573923173.db2.gz UPYIPBFQTMOOJD-CYBMUJFWSA-N 1 0 195.350 3.655 10 0 AHAERO CCCCC[NH2+][C@H]1C=CCCCCC1 ZINC000308463528 573922585 /nfs/dbraw/zinc/92/25/85/573922585.db2.gz UPYIPBFQTMOOJD-ZDUSSCGKSA-N 1 0 195.350 3.655 10 0 AHAERO C/C(=C/CC[NH3+])CCC1CCCCC1 ZINC000308464664 573927635 /nfs/dbraw/zinc/92/76/35/573927635.db2.gz ZKKOKRPJJWZREM-SDQBBNPISA-N 1 0 195.350 3.642 10 0 AHAERO CCCCC[N@H+](C)[C@H](C)CC(C)C ZINC000308465020 573926322 /nfs/dbraw/zinc/92/63/22/573926322.db2.gz IUTGBFMHRXIISC-GFCCVEGCSA-N 1 0 185.355 3.543 10 0 AHAERO CCCCC[N@H+](C)[C@@H](C)CC(C)C ZINC000308465022 573928005 /nfs/dbraw/zinc/92/80/05/573928005.db2.gz IUTGBFMHRXIISC-LBPRGKRZSA-N 1 0 185.355 3.543 10 0 AHAERO CC(C)C[C@H](C)[C@@H]([NH3+])CC1CCCC1 ZINC000308465090 573927595 /nfs/dbraw/zinc/92/75/95/573927595.db2.gz HMLMZNVTXGSBSX-AAEUAGOBSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@H](C)[C@H]([NH3+])CC1CCCC1 ZINC000308465093 573926780 /nfs/dbraw/zinc/92/67/80/573926780.db2.gz HMLMZNVTXGSBSX-DGCLKSJQSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@H](C)[C@H]([NH3+])CC1CCCC1 ZINC000308465095 573926789 /nfs/dbraw/zinc/92/67/89/573926789.db2.gz HMLMZNVTXGSBSX-WCQYABFASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C[C@@H](C)[C@@H]([NH3+])CC1CCCC1 ZINC000308465099 573929527 /nfs/dbraw/zinc/92/95/27/573929527.db2.gz HMLMZNVTXGSBSX-YPMHNXCESA-N 1 0 197.366 3.576 10 0 AHAERO CCC(CC)[C@@H]([NH3+])C(C(C)C)C(C)C ZINC000308465245 573934489 /nfs/dbraw/zinc/93/44/89/573934489.db2.gz HPFXMVSZIWPIFD-CYBMUJFWSA-N 1 0 199.382 3.678 10 0 AHAERO CCC(CC)[C@H]([NH3+])C(C(C)C)C(C)C ZINC000308465247 573932704 /nfs/dbraw/zinc/93/27/04/573932704.db2.gz HPFXMVSZIWPIFD-ZDUSSCGKSA-N 1 0 199.382 3.678 10 0 AHAERO CCC(C)(C)[NH2+][C@@H]1C=CCCCCC1 ZINC000308467432 573937887 /nfs/dbraw/zinc/93/78/87/573937887.db2.gz ZSEJQWJZWXMSCA-GFCCVEGCSA-N 1 0 195.350 3.654 10 0 AHAERO CCC(C)(C)[NH2+][C@H]1C=CCCCCC1 ZINC000308467433 573941552 /nfs/dbraw/zinc/94/15/52/573941552.db2.gz ZSEJQWJZWXMSCA-LBPRGKRZSA-N 1 0 195.350 3.654 10 0 AHAERO CCC1([C@@H](CCCC(C)C)[NH2+]C)CC1 ZINC000308468390 573938752 /nfs/dbraw/zinc/93/87/52/573938752.db2.gz AQHVKYGHAPTEJX-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC1([C@H](CCCC(C)C)[NH2+]C)CC1 ZINC000308468392 573938092 /nfs/dbraw/zinc/93/80/92/573938092.db2.gz AQHVKYGHAPTEJX-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@](C)(C[NH3+])CC1CCC(C)CC1 ZINC000308469937 573943487 /nfs/dbraw/zinc/94/34/87/573943487.db2.gz HPXXUDMVZSSYEI-WXRRBKDZSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1C[C@H]1[NH2+][C@H](C)CCC(C)(C)C ZINC000308470997 573931584 /nfs/dbraw/zinc/93/15/84/573931584.db2.gz JHIYHFRNLFXPST-IJLUTSLNSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCC(C)(C)C ZINC000308470998 573930779 /nfs/dbraw/zinc/93/07/79/573930779.db2.gz JHIYHFRNLFXPST-QJPTWQEYSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]1C[C@@H]1[NH2+][C@@H](C)CCC(C)(C)C ZINC000308470999 573931334 /nfs/dbraw/zinc/93/13/34/573931334.db2.gz JHIYHFRNLFXPST-TUAOUCFPSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]1C[C@@H]1[NH2+][C@H](C)CCC(C)(C)C ZINC000308471000 573931133 /nfs/dbraw/zinc/93/11/33/573931133.db2.gz JHIYHFRNLFXPST-UTUOFQBUSA-N 1 0 197.366 3.589 10 0 AHAERO C[NH2+][C@@H](C)CCC1CCC(C)(C)CC1 ZINC000308471397 573943549 /nfs/dbraw/zinc/94/35/49/573943549.db2.gz ICVQTJBMTFRGNK-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[NH2+]CCC(C(C)C)C(C)C ZINC000308471944 573951829 /nfs/dbraw/zinc/95/18/29/573951829.db2.gz JQUZCKHTOKEGCI-UHFFFAOYSA-N 1 0 199.382 3.550 10 0 AHAERO CCC[NH2+]C[C@@H](CC)[C@H](C)CC(C)C ZINC000308473217 573003070 /nfs/dbraw/zinc/00/30/70/573003070.db2.gz KBYPYUHILWWNGG-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@H](CC)[C@H](C)CC(C)C ZINC000308473218 573008063 /nfs/dbraw/zinc/00/80/63/573008063.db2.gz KBYPYUHILWWNGG-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@@H](CC)[C@@H](C)CC(C)C ZINC000308473219 573007621 /nfs/dbraw/zinc/00/76/21/573007621.db2.gz KBYPYUHILWWNGG-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]C[C@H](CC)[C@@H](C)CC(C)C ZINC000308473220 573002862 /nfs/dbraw/zinc/00/28/62/573002862.db2.gz KBYPYUHILWWNGG-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]CC[C@@H](C)[C@H](C)CC(C)C ZINC000308474824 573012039 /nfs/dbraw/zinc/01/20/39/573012039.db2.gz KPGLJJKYJNLXEY-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]CC[C@@H](C)[C@@H](C)CC(C)C ZINC000308474825 573009059 /nfs/dbraw/zinc/00/90/59/573009059.db2.gz KPGLJJKYJNLXEY-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]CC[C@H](C)[C@H](C)CC(C)C ZINC000308474826 573010384 /nfs/dbraw/zinc/01/03/84/573010384.db2.gz KPGLJJKYJNLXEY-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]CC[C@H](C)[C@@H](C)CC(C)C ZINC000308474827 573008933 /nfs/dbraw/zinc/00/89/33/573008933.db2.gz KPGLJJKYJNLXEY-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)C[C@@H](C)[C@@H]([NH3+])CCC(C)(C)C ZINC000308475427 573009384 /nfs/dbraw/zinc/00/93/84/573009384.db2.gz KVCBBZWFJMXZBW-NEPJUHHUSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@H](C)[C@H]([NH3+])CCC(C)(C)C ZINC000308475428 573009445 /nfs/dbraw/zinc/00/94/45/573009445.db2.gz KVCBBZWFJMXZBW-NWDGAFQWSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@H](C)[C@@H]([NH3+])CCC(C)(C)C ZINC000308475429 573012901 /nfs/dbraw/zinc/01/29/01/573012901.db2.gz KVCBBZWFJMXZBW-RYUDHWBXSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C[C@@H](C)[C@H]([NH3+])CCC(C)(C)C ZINC000308475430 573010243 /nfs/dbraw/zinc/01/02/43/573010243.db2.gz KVCBBZWFJMXZBW-VXGBXAGGSA-N 1 0 199.382 3.822 10 0 AHAERO CCCC[C@@H]([NH2+]CC)[C@H](C)CC(C)C ZINC000308475508 573009931 /nfs/dbraw/zinc/00/99/31/573009931.db2.gz KXOZSECPGGXFNF-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H]([NH2+]CC)[C@H](C)CC(C)C ZINC000308475510 573010813 /nfs/dbraw/zinc/01/08/13/573010813.db2.gz KXOZSECPGGXFNF-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCC[C@H]([NH2+]CC)[C@@H](C)CC(C)C ZINC000308475513 573010112 /nfs/dbraw/zinc/01/01/12/573010112.db2.gz KXOZSECPGGXFNF-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)C[C@@H](C)C1(C[NH3+])CCCCC1 ZINC000308475527 573011662 /nfs/dbraw/zinc/01/16/62/573011662.db2.gz KXXRSIJHAIYFBP-GFCCVEGCSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)C[C@H](C)C1(C[NH3+])CCCCC1 ZINC000308475529 573011502 /nfs/dbraw/zinc/01/15/02/573011502.db2.gz KXXRSIJHAIYFBP-LBPRGKRZSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@@H](CC1CCC(C)CC1)[NH2+]C ZINC000308476197 573016331 /nfs/dbraw/zinc/01/63/31/573016331.db2.gz JOOUBJXZQPDPNE-BPCQOVAHSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](CC1CCC(C)CC1)[NH2+]C ZINC000308476198 573014611 /nfs/dbraw/zinc/01/46/11/573014611.db2.gz JOOUBJXZQPDPNE-WXRRBKDZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H]([NH2+]CC)C1(CCC)CC1 ZINC000308476666 573022464 /nfs/dbraw/zinc/02/24/64/573022464.db2.gz DWBHYNFCHAHFJE-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H]([NH2+]CC)C1(CCC)CC1 ZINC000308476667 573021678 /nfs/dbraw/zinc/02/16/78/573021678.db2.gz DWBHYNFCHAHFJE-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1[C@H](C)CCC[NH3+] ZINC000308476732 573025901 /nfs/dbraw/zinc/02/59/01/573025901.db2.gz FAAPURWPGWHGSP-JHJVBQTASA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CCCC[C@H]1[C@H](C)CCC[NH3+] ZINC000308476733 573028428 /nfs/dbraw/zinc/02/84/28/573028428.db2.gz FAAPURWPGWHGSP-UPJWGTAASA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CCCC[C@H]1[C@@H](C)CCC[NH3+] ZINC000308476734 573025294 /nfs/dbraw/zinc/02/52/94/573025294.db2.gz FAAPURWPGWHGSP-XQQFMLRXSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1[C@@H](C)CCC[NH3+] ZINC000308476735 573026983 /nfs/dbraw/zinc/02/69/83/573026983.db2.gz FAAPURWPGWHGSP-YNEHKIRRSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@]1([C@H](C)CC(C)C)CCC[NH2+]1 ZINC000308477133 573027725 /nfs/dbraw/zinc/02/77/25/573027725.db2.gz LMGVHDLHYOHMNG-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@]1([C@H](C)CC(C)C)CCC[NH2+]1 ZINC000308477136 573028820 /nfs/dbraw/zinc/02/88/20/573028820.db2.gz LMGVHDLHYOHMNG-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@]1([C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000308477139 573025644 /nfs/dbraw/zinc/02/56/44/573025644.db2.gz LMGVHDLHYOHMNG-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@]1([C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000308477142 573028972 /nfs/dbraw/zinc/02/89/72/573028972.db2.gz LMGVHDLHYOHMNG-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@H]([NH2+]C)[C@@H](C)CC(C)C ZINC000308477563 573027628 /nfs/dbraw/zinc/02/76/28/573027628.db2.gz LPAHNRUGKDVCBA-AVGNSLFASA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@H](C)[C@@H]([NH2+]C)[C@@H](C)CC(C)C ZINC000308477566 573028691 /nfs/dbraw/zinc/02/86/91/573028691.db2.gz LPAHNRUGKDVCBA-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO CCC[C@H](C)[C@H]([NH2+]C)[C@H](C)CC(C)C ZINC000308477569 573028854 /nfs/dbraw/zinc/02/88/54/573028854.db2.gz LPAHNRUGKDVCBA-XQQFMLRXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+]CC/C=C(/C)[C@H](C)CC(C)C ZINC000308477639 573028949 /nfs/dbraw/zinc/02/89/49/573028949.db2.gz LQEIEUSTUADRFD-LLBKUYECSA-N 1 0 197.366 3.615 10 0 AHAERO CC[NH2+]CC/C=C(\C)[C@@H](C)CC(C)C ZINC000308477641 573025098 /nfs/dbraw/zinc/02/50/98/573025098.db2.gz LQEIEUSTUADRFD-RPHSKFLZSA-N 1 0 197.366 3.615 10 0 AHAERO CC[NH2+]CC/C=C(\C)[C@H](C)CC(C)C ZINC000308477643 573026623 /nfs/dbraw/zinc/02/66/23/573026623.db2.gz LQEIEUSTUADRFD-YQCJOKCJSA-N 1 0 197.366 3.615 10 0 AHAERO CCCC1([C@H]([NH3+])CC(CC)CC)CC1 ZINC000308478123 573028718 /nfs/dbraw/zinc/02/87/18/573028718.db2.gz FOLIPQUBLFSGFY-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC1([C@@H]([NH3+])CC(CC)CC)CC1 ZINC000308478125 573029408 /nfs/dbraw/zinc/02/94/08/573029408.db2.gz FOLIPQUBLFSGFY-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]([NH3+])[C@H](C)C[C@@H]1CCC[C@H](C)C1 ZINC000308478252 573027877 /nfs/dbraw/zinc/02/78/77/573027877.db2.gz KHXKIDQQYCRGKY-LOWDOPEQSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]([NH3+])[C@H](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000308478253 573028514 /nfs/dbraw/zinc/02/85/14/573028514.db2.gz KHXKIDQQYCRGKY-LPWJVIDDSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]([NH3+])[C@H](C)C[C@H]1CCC[C@@H](C)C1 ZINC000308478254 573028273 /nfs/dbraw/zinc/02/82/73/573028273.db2.gz KHXKIDQQYCRGKY-NDBYEHHHSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]([NH3+])[C@H](C)C[C@H]1CCC[C@H](C)C1 ZINC000308478255 573029380 /nfs/dbraw/zinc/02/93/80/573029380.db2.gz KHXKIDQQYCRGKY-RNJOBUHISA-N 1 0 197.366 3.576 10 0 AHAERO C[NH2+][C@H](CCC(C)C)[C@H](C)CC(C)C ZINC000308480054 573016405 /nfs/dbraw/zinc/01/64/05/573016405.db2.gz MJPMSMWDCSTWGG-CHWSQXEVSA-N 1 0 199.382 3.693 10 0 AHAERO C/C(=C/C1(C)CCCC1)CCCC[NH3+] ZINC000308480057 573016649 /nfs/dbraw/zinc/01/66/49/573016649.db2.gz GNJLLQLTTJVBGO-QXMHVHEDSA-N 1 0 195.350 3.642 10 0 AHAERO C[NH2+][C@H](CCC(C)C)[C@@H](C)CC(C)C ZINC000308480059 573015761 /nfs/dbraw/zinc/01/57/61/573015761.db2.gz MJPMSMWDCSTWGG-QWHCGFSZSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@@H](CCC(C)C)[C@@H](C)CC(C)C ZINC000308480063 573014564 /nfs/dbraw/zinc/01/45/64/573014564.db2.gz MJPMSMWDCSTWGG-STQMWFEESA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)[NH2+]CCC1CCC(C)(C)CC1 ZINC000308483259 573023043 /nfs/dbraw/zinc/02/30/43/573023043.db2.gz MNPGWZVDQFODJY-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H](C[C@H](C)[NH3+])CC1CCC(C)CC1 ZINC000308484493 573019878 /nfs/dbraw/zinc/01/98/78/573019878.db2.gz MVLYVNQLEJEPSE-ZFQMDJOTSA-N 1 0 197.366 3.576 10 0 AHAERO CC[NH2+][C@H](C)CC1CCC(C)(C)CC1 ZINC000308484613 573022123 /nfs/dbraw/zinc/02/21/23/573022123.db2.gz MXRGBNCNXBTMNZ-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH2+]C(C(C)C)C(C)C)C(C)C ZINC000308484615 573019813 /nfs/dbraw/zinc/01/98/13/573019813.db2.gz OHCXHVVSUPGLGO-GFCCVEGCSA-N 1 0 199.382 3.691 10 0 AHAERO CC[NH2+][C@H]([C@H](C)CC)[C@@H](C)CC(C)C ZINC000308486710 573047705 /nfs/dbraw/zinc/04/77/05/573047705.db2.gz PCLOTBQUJLUEMH-FRRDWIJNSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H]([C@H](C)CC)[C@H](C)CC(C)C ZINC000308486711 573045227 /nfs/dbraw/zinc/04/52/27/573045227.db2.gz PCLOTBQUJLUEMH-JHJVBQTASA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H]([C@@H](C)CC)[C@@H](C)CC(C)C ZINC000308486712 573049775 /nfs/dbraw/zinc/04/97/75/573049775.db2.gz PCLOTBQUJLUEMH-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@@H]([C@H](C)CC(C)C)[C@@H](C)CC ZINC000308486713 573045923 /nfs/dbraw/zinc/04/59/23/573045923.db2.gz PCLOTBQUJLUEMH-YNEHKIRRSA-N 1 0 199.382 3.693 10 0 AHAERO C[C@@H]1CCC[C@H](CC(C)(C)CC[NH3+])C1 ZINC000308487399 573057718 /nfs/dbraw/zinc/05/77/18/573057718.db2.gz NYZRTIASIJKFLC-NEPJUHHUSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@H]1CCC[C@@H](CC(C)(C)CC[NH3+])C1 ZINC000308487400 573060116 /nfs/dbraw/zinc/06/01/16/573060116.db2.gz NYZRTIASIJKFLC-NWDGAFQWSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@H]1CCC[C@H](CC(C)(C)CC[NH3+])C1 ZINC000308487401 573059932 /nfs/dbraw/zinc/05/99/32/573059932.db2.gz NYZRTIASIJKFLC-RYUDHWBXSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@@H]1CCC[C@@H](CC(C)(C)CC[NH3+])C1 ZINC000308487402 573057850 /nfs/dbraw/zinc/05/78/50/573057850.db2.gz NYZRTIASIJKFLC-VXGBXAGGSA-N 1 0 197.366 3.578 10 0 AHAERO CC[NH2+]C[C@@](C)(CC)[C@H](C)CC(C)C ZINC000308489426 573072210 /nfs/dbraw/zinc/07/22/10/573072210.db2.gz PYTAUWRUTNZCDB-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@](C)(CC)[C@H](C)CC(C)C ZINC000308489427 573073286 /nfs/dbraw/zinc/07/32/86/573073286.db2.gz PYTAUWRUTNZCDB-OLZOCXBDSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@@](C)(CC)[C@@H](C)CC(C)C ZINC000308489429 573073158 /nfs/dbraw/zinc/07/31/58/573073158.db2.gz PYTAUWRUTNZCDB-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@](C)(CC)[C@@H](C)CC(C)C ZINC000308489430 573074572 /nfs/dbraw/zinc/07/45/72/573074572.db2.gz PYTAUWRUTNZCDB-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CCCCC[C@@H]([NH2+]C)[C@H](C)CC(C)C ZINC000308490512 573081169 /nfs/dbraw/zinc/08/11/69/573081169.db2.gz QKZLLUKBOMLAOI-CHWSQXEVSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@H]([NH2+]C)[C@H](C)CC(C)C ZINC000308490513 573078942 /nfs/dbraw/zinc/07/89/42/573078942.db2.gz QKZLLUKBOMLAOI-OLZOCXBDSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@@H]([NH2+]C)[C@@H](C)CC(C)C ZINC000308490514 573080580 /nfs/dbraw/zinc/08/05/80/573080580.db2.gz QKZLLUKBOMLAOI-QWHCGFSZSA-N 1 0 199.382 3.837 10 0 AHAERO CCCCC[C@H]([NH2+]C)[C@@H](C)CC(C)C ZINC000308490516 573080115 /nfs/dbraw/zinc/08/01/15/573080115.db2.gz QKZLLUKBOMLAOI-STQMWFEESA-N 1 0 199.382 3.837 10 0 AHAERO C[C@H](CCC(C)(C)C)[NH2+]CC(C)(C)C ZINC000308490777 573080183 /nfs/dbraw/zinc/08/01/83/573080183.db2.gz QPBFAHJXVHBTCD-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO C[C@@H](CCC(C)(C)C)[NH2+]CC(C)(C)C ZINC000308490779 573078714 /nfs/dbraw/zinc/07/87/14/573078714.db2.gz QPBFAHJXVHBTCD-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)C(CC[NH2+]C(C)(C)C)C(C)C ZINC000308492091 573078653 /nfs/dbraw/zinc/07/86/53/573078653.db2.gz RHSWBQAKGXBZEU-UHFFFAOYSA-N 1 0 199.382 3.693 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])[C@@H](C)CC(C)C ZINC000308492617 573062867 /nfs/dbraw/zinc/06/28/67/573062867.db2.gz ROADPYYHANURAF-AVGNSLFASA-N 1 0 199.382 3.822 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])[C@@H](C)CC(C)C ZINC000308492619 573062962 /nfs/dbraw/zinc/06/29/62/573062962.db2.gz ROADPYYHANURAF-RWMBFGLXSA-N 1 0 199.382 3.822 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])[C@H](C)CC(C)C ZINC000308492620 573062876 /nfs/dbraw/zinc/06/28/76/573062876.db2.gz ROADPYYHANURAF-XQQFMLRXSA-N 1 0 199.382 3.822 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])[C@H](C)CC(C)C ZINC000308492621 573062871 /nfs/dbraw/zinc/06/28/71/573062871.db2.gz ROADPYYHANURAF-YNEHKIRRSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)CCCC[NH2+]CC1(C)CCC1 ZINC000308494329 573065369 /nfs/dbraw/zinc/06/53/69/573065369.db2.gz BGLWAZFZCRQRCV-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO C[NH2+][C@H](CC(C)C)C(C(C)C)C(C)C ZINC000308500778 573094207 /nfs/dbraw/zinc/09/42/07/573094207.db2.gz WFXKVPLHRSKOAV-GFCCVEGCSA-N 1 0 199.382 3.549 10 0 AHAERO C[NH2+][C@@H](CC(C)C)C(C(C)C)C(C)C ZINC000308500780 573090487 /nfs/dbraw/zinc/09/04/87/573090487.db2.gz WFXKVPLHRSKOAV-LBPRGKRZSA-N 1 0 199.382 3.549 10 0 AHAERO CCC[C@H](C[NH2+]CC)[C@H](C)CC(C)C ZINC000308501455 573098643 /nfs/dbraw/zinc/09/86/43/573098643.db2.gz WRWSSDKZQMQZIL-CHWSQXEVSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@H](C[NH2+]CC)[C@@H](C)CC(C)C ZINC000308501457 573095860 /nfs/dbraw/zinc/09/58/60/573095860.db2.gz WRWSSDKZQMQZIL-QWHCGFSZSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[C@@H](C[NH2+]CC)[C@@H](C)CC(C)C ZINC000308501458 573099742 /nfs/dbraw/zinc/09/97/42/573099742.db2.gz WRWSSDKZQMQZIL-STQMWFEESA-N 1 0 199.382 3.694 10 0 AHAERO CCC/C=C/CC[NH2+]C(C)(C)CC ZINC000308501527 573099105 /nfs/dbraw/zinc/09/91/05/573099105.db2.gz XEEIZBVATHEXSV-CMDGGOBGSA-N 1 0 183.339 3.511 10 0 AHAERO CCC/C=C\CC[NH2+]C(C)(C)CC ZINC000308501528 573096800 /nfs/dbraw/zinc/09/68/00/573096800.db2.gz XEEIZBVATHEXSV-HJWRWDBZSA-N 1 0 183.339 3.511 10 0 AHAERO CCCCCC[C@@H]([NH3+])[C@H](C)CC(C)C ZINC000308501934 573099863 /nfs/dbraw/zinc/09/98/63/573099863.db2.gz WYQGUEBXBSHIJD-CHWSQXEVSA-N 1 0 199.382 3.966 10 0 AHAERO CCCCCC[C@H]([NH3+])[C@H](C)CC(C)C ZINC000308501935 573096733 /nfs/dbraw/zinc/09/67/33/573096733.db2.gz WYQGUEBXBSHIJD-OLZOCXBDSA-N 1 0 199.382 3.966 10 0 AHAERO CCCCCC[C@@H]([NH3+])[C@@H](C)CC(C)C ZINC000308501936 573096768 /nfs/dbraw/zinc/09/67/68/573096768.db2.gz WYQGUEBXBSHIJD-QWHCGFSZSA-N 1 0 199.382 3.966 10 0 AHAERO CC[C@@H](C)[NH2+][C@@H](CC(C)C)C(C)(C)C ZINC000308502528 573142985 /nfs/dbraw/zinc/14/29/85/573142985.db2.gz HHGPOUAKHAXFQZ-NEPJUHHUSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H](C)[NH2+][C@H](CC(C)C)C(C)(C)C ZINC000308502529 573146352 /nfs/dbraw/zinc/14/63/52/573146352.db2.gz HHGPOUAKHAXFQZ-NWDGAFQWSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H](C)[NH2+][C@@H](CC(C)C)C(C)(C)C ZINC000308502530 573143703 /nfs/dbraw/zinc/14/37/03/573143703.db2.gz HHGPOUAKHAXFQZ-RYUDHWBXSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@@H](C)[NH2+][C@H](CC(C)C)C(C)(C)C ZINC000308502532 573142309 /nfs/dbraw/zinc/14/23/09/573142309.db2.gz HHGPOUAKHAXFQZ-VXGBXAGGSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H]1CC[C@H]([NH2+]CC=C(C)C)CC1 ZINC000308503258 573144074 /nfs/dbraw/zinc/14/40/74/573144074.db2.gz BSQVDSHUMRNEEZ-JOCQHMNTSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000308503421 573147225 /nfs/dbraw/zinc/14/72/25/573147225.db2.gz XRXQJFKBIYMXHI-NEPJUHHUSA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000308503423 573144674 /nfs/dbraw/zinc/14/46/74/573144674.db2.gz XRXQJFKBIYMXHI-NWDGAFQWSA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000308503424 573146362 /nfs/dbraw/zinc/14/63/62/573146362.db2.gz XRXQJFKBIYMXHI-RYUDHWBXSA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000308503425 573142711 /nfs/dbraw/zinc/14/27/11/573142711.db2.gz XRXQJFKBIYMXHI-VXGBXAGGSA-N 1 0 199.382 3.979 10 0 AHAERO CCC[C@@H](CC)[NH2+]C(C(C)C)C(C)C ZINC000308503855 573146230 /nfs/dbraw/zinc/14/62/30/573146230.db2.gz XWUBBHVMLBSRRL-GFCCVEGCSA-N 1 0 199.382 3.835 10 0 AHAERO CCC[C@H](CC)[NH2+]C(C(C)C)C(C)C ZINC000308503856 573144899 /nfs/dbraw/zinc/14/48/99/573144899.db2.gz XWUBBHVMLBSRRL-LBPRGKRZSA-N 1 0 199.382 3.835 10 0 AHAERO CC(C)C[C@@H](C)/C=C/CC[NH2+]C(C)C ZINC000308504981 573149665 /nfs/dbraw/zinc/14/96/65/573149665.db2.gz YKKIHJSCGCUODJ-CFNZNRNTSA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)C[C@H](C)/C=C\CC[NH2+]C(C)C ZINC000308504982 573149480 /nfs/dbraw/zinc/14/94/80/573149480.db2.gz YKKIHJSCGCUODJ-FWPCIQOSSA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)C[C@H](C)/C=C/CC[NH2+]C(C)C ZINC000308504983 573148337 /nfs/dbraw/zinc/14/83/37/573148337.db2.gz YKKIHJSCGCUODJ-STMXVASLSA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)C[C@@H](C)/C=C\CC[NH2+]C(C)C ZINC000308504984 573150938 /nfs/dbraw/zinc/15/09/38/573150938.db2.gz YKKIHJSCGCUODJ-WOLRVDTOSA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)CCC[NH2+]C(C(C)C)C(C)C ZINC000308506977 573157238 /nfs/dbraw/zinc/15/72/38/573157238.db2.gz ZJKUFSRGQZROFT-UHFFFAOYSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)CC[NH2+]C1(C)CCCCCC1 ZINC000308507517 573137716 /nfs/dbraw/zinc/13/77/16/573137716.db2.gz JJPCXZMBNXNCFF-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC1CCC(C[NH3+])(C(C)C)CC1 ZINC000308507976 573146554 /nfs/dbraw/zinc/14/65/54/573146554.db2.gz ARETZKHONCEVBU-UHFFFAOYSA-N 1 0 197.366 3.578 10 0 AHAERO CCC(C)(C)[C@@H]([NH2+]C)[C@H](C)CC(C)C ZINC000308508231 573171001 /nfs/dbraw/zinc/17/10/01/573171001.db2.gz AVSAVTLSWFZUMO-NEPJUHHUSA-N 1 0 199.382 3.693 10 0 AHAERO CCC(C)(C)[C@H]([NH2+]C)[C@@H](C)CC(C)C ZINC000308508233 573173063 /nfs/dbraw/zinc/17/30/63/573173063.db2.gz AVSAVTLSWFZUMO-NWDGAFQWSA-N 1 0 199.382 3.693 10 0 AHAERO CCC(C)(C)[C@H]([NH2+]C)[C@H](C)CC(C)C ZINC000308508237 573171060 /nfs/dbraw/zinc/17/10/60/573171060.db2.gz AVSAVTLSWFZUMO-VXGBXAGGSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@@H](C)CC[C@@H](C)C1CCCCC1 ZINC000308509319 573177664 /nfs/dbraw/zinc/17/76/64/573177664.db2.gz IKVUYIVCZXJRBQ-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)CC[C@H](C)C1CCCCC1 ZINC000308509320 573178740 /nfs/dbraw/zinc/17/87/40/573178740.db2.gz IKVUYIVCZXJRBQ-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](C)CC[C@H](C)C1CCCCC1 ZINC000308509321 573179085 /nfs/dbraw/zinc/17/90/85/573179085.db2.gz IKVUYIVCZXJRBQ-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)CC[C@@H](C)C1CCCCC1 ZINC000308509322 573178263 /nfs/dbraw/zinc/17/82/63/573178263.db2.gz IKVUYIVCZXJRBQ-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H](CCCC[NH2+]C1CC1)C(C)(C)C ZINC000308509419 573175660 /nfs/dbraw/zinc/17/56/60/573175660.db2.gz BHAZFHNYPKGNGV-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H](CCCC[NH2+]C1CC1)C(C)(C)C ZINC000308509427 573178285 /nfs/dbraw/zinc/17/82/85/573178285.db2.gz BHAZFHNYPKGNGV-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CC/C(=C/[C@H](C)C(C)C)C[NH2+]C(C)C ZINC000308509787 573177005 /nfs/dbraw/zinc/17/70/05/573177005.db2.gz IOZIPCFVHHGHSX-OEMOTLHWSA-N 1 0 197.366 3.613 10 0 AHAERO CC/C(=C\[C@H](C)C(C)C)C[NH2+]C(C)C ZINC000308509788 573179282 /nfs/dbraw/zinc/17/92/82/573179282.db2.gz IOZIPCFVHHGHSX-OXBCTQFSSA-N 1 0 197.366 3.613 10 0 AHAERO CC/C(=C/[C@@H](C)C(C)C)C[NH2+]C(C)C ZINC000308509789 573178472 /nfs/dbraw/zinc/17/84/72/573178472.db2.gz IOZIPCFVHHGHSX-YFBAIUBQSA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)=CC[NH2+]CC(C)(C)C(C)(C)C ZINC000308509870 573177702 /nfs/dbraw/zinc/17/77/02/573177702.db2.gz IWNQDNCEOXCRHR-UHFFFAOYSA-N 1 0 197.366 3.615 10 0 AHAERO CCC(CC)C1(C[NH3+])CCCCCC1 ZINC000308510175 573177493 /nfs/dbraw/zinc/17/74/93/573177493.db2.gz BQZBAVYIXBPNPH-UHFFFAOYSA-N 1 0 197.366 3.722 10 0 AHAERO CCCC[NH2+]C[C@@H](C)C1CCCCC1 ZINC000308510331 573175429 /nfs/dbraw/zinc/17/54/29/573175429.db2.gz JCILGPSPHUVSRP-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[NH2+]C[C@H](C)C1CCCCC1 ZINC000308510332 573176693 /nfs/dbraw/zinc/17/66/93/573176693.db2.gz JCILGPSPHUVSRP-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC(C)(C)[NH2+]CCCC1CCCC1 ZINC000308510403 573175993 /nfs/dbraw/zinc/17/59/93/573175993.db2.gz KQWXEUURJPJZCL-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO C/C=C/C[NH2+][C@H](CC(C)C)C(C)(C)C ZINC000308511491 573164274 /nfs/dbraw/zinc/16/42/74/573164274.db2.gz LAFILDQSCDUCHW-ABZNLYFFSA-N 1 0 197.366 3.613 10 0 AHAERO C/C=C/C[NH2+][C@@H](CC(C)C)C(C)(C)C ZINC000308511493 573168905 /nfs/dbraw/zinc/16/89/05/573168905.db2.gz LAFILDQSCDUCHW-GUOLPTJISA-N 1 0 197.366 3.613 10 0 AHAERO C/C=C\C[NH2+][C@@H](CC(C)C)C(C)(C)C ZINC000308511495 573168837 /nfs/dbraw/zinc/16/88/37/573168837.db2.gz LAFILDQSCDUCHW-KRZKBDHCSA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)C[NH2+]CCCC[C@@H](C)C(C)C ZINC000308511856 573166998 /nfs/dbraw/zinc/16/69/98/573166998.db2.gz KDUMPHNNEFFYFY-CYBMUJFWSA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)C[NH2+]CCCC[C@H](C)C(C)C ZINC000308511857 573167519 /nfs/dbraw/zinc/16/75/19/573167519.db2.gz KDUMPHNNEFFYFY-ZDUSSCGKSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+][C@H](C)/C(C)=C/[C@H](C)C(C)C ZINC000308512388 573166334 /nfs/dbraw/zinc/16/63/34/573166334.db2.gz KOOHLIBDHPRCFN-BBLQWXAZSA-N 1 0 197.366 3.613 10 0 AHAERO CCC[NH2+][C@H](C)/C(C)=C\[C@@H](C)C(C)C ZINC000308512389 573169263 /nfs/dbraw/zinc/16/92/63/573169263.db2.gz KOOHLIBDHPRCFN-BIIGBYBUSA-N 1 0 197.366 3.613 10 0 AHAERO CCC[NH2+][C@H](C)/C(C)=C\[C@H](C)C(C)C ZINC000308512390 573168367 /nfs/dbraw/zinc/16/83/67/573168367.db2.gz KOOHLIBDHPRCFN-FTNLVMBUSA-N 1 0 197.366 3.613 10 0 AHAERO CCC[NH2+][C@H](C)/C(C)=C/[C@@H](C)C(C)C ZINC000308512391 573167416 /nfs/dbraw/zinc/16/74/16/573167416.db2.gz KOOHLIBDHPRCFN-YBUYXDSISA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)CC[NH2+]C(C)(C)C1CCCC1 ZINC000308512613 573168397 /nfs/dbraw/zinc/16/83/97/573168397.db2.gz LMHYLXQNXMONLH-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000308513672 573187693 /nfs/dbraw/zinc/18/76/93/573187693.db2.gz DGGMSYADSLOOQP-AAEUAGOBSA-N 1 0 197.366 3.578 10 0 AHAERO CCC(CC)[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000308513673 573189918 /nfs/dbraw/zinc/18/99/18/573189918.db2.gz DGGMSYADSLOOQP-DGCLKSJQSA-N 1 0 197.366 3.578 10 0 AHAERO CCC(CC)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000308513674 573187613 /nfs/dbraw/zinc/18/76/13/573187613.db2.gz DGGMSYADSLOOQP-WCQYABFASA-N 1 0 197.366 3.578 10 0 AHAERO CCC(CC)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000308513675 573186608 /nfs/dbraw/zinc/18/66/08/573186608.db2.gz DGGMSYADSLOOQP-YPMHNXCESA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)C[NH2+]C(C)(C)C1CCCCC1 ZINC000308513752 573190744 /nfs/dbraw/zinc/19/07/44/573190744.db2.gz LXBUFLNHNVTQLB-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[C@H](C)CCCC[NH2+]C(C)(C)C ZINC000308515140 573192437 /nfs/dbraw/zinc/19/24/37/573192437.db2.gz MXXUVPDVIWOQEP-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO C/C(=C\[C@@H](C)C(C)(C)C)C[NH2+]C(C)C ZINC000308515334 573194855 /nfs/dbraw/zinc/19/48/55/573194855.db2.gz FAJLQXOPWPQIBP-JATZPVMKSA-N 1 0 197.366 3.613 10 0 AHAERO C/C(=C/[C@H](C)C(C)(C)C)C[NH2+]C(C)C ZINC000308515335 573193607 /nfs/dbraw/zinc/19/36/07/573193607.db2.gz FAJLQXOPWPQIBP-KGTBHZDVSA-N 1 0 197.366 3.613 10 0 AHAERO C/C(=C/[C@@H](C)C(C)(C)C)C[NH2+]C(C)C ZINC000308515336 573194447 /nfs/dbraw/zinc/19/44/47/573194447.db2.gz FAJLQXOPWPQIBP-NXIHDVOMSA-N 1 0 197.366 3.613 10 0 AHAERO C/C(=C\[C@H](C)C(C)(C)C)C[NH2+]C(C)C ZINC000308515337 573192735 /nfs/dbraw/zinc/19/27/35/573192735.db2.gz FAJLQXOPWPQIBP-OBIHZWKSSA-N 1 0 197.366 3.613 10 0 AHAERO CC[C@H](C)[NH2+][C@H]1CC[C@](C)(C(C)C)C1 ZINC000308515607 573192124 /nfs/dbraw/zinc/19/21/24/573192124.db2.gz MPBOGMXUCQEVHQ-AVGNSLFASA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)[NH2+][C@H]1CC[C@@](C)(C(C)C)C1 ZINC000308515609 573193825 /nfs/dbraw/zinc/19/38/25/573193825.db2.gz MPBOGMXUCQEVHQ-RWMBFGLXSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)[NH2+][C@@H]1CC[C@](C)(C(C)C)C1 ZINC000308515611 573192129 /nfs/dbraw/zinc/19/21/29/573192129.db2.gz MPBOGMXUCQEVHQ-XQQFMLRXSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)[NH2+][C@@H]1CC[C@@](C)(C(C)C)C1 ZINC000308515613 573193232 /nfs/dbraw/zinc/19/32/32/573193232.db2.gz MPBOGMXUCQEVHQ-YNEHKIRRSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)=CC[NH2+]C(C)(C)C1CCCC1 ZINC000308516083 573194714 /nfs/dbraw/zinc/19/47/14/573194714.db2.gz MWCSKOWLXKTCLN-UHFFFAOYSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[C@@H](C)[NH2+]CC(C)(C)C(C)(C)C ZINC000308516607 573194440 /nfs/dbraw/zinc/19/44/40/573194440.db2.gz NUUSPMOZZSEREE-LLVKDONJSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[C@H](C)[NH2+]CC(C)(C)C(C)(C)C ZINC000308516609 573193175 /nfs/dbraw/zinc/19/31/75/573193175.db2.gz NUUSPMOZZSEREE-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H](C)[C@H]([NH2+]C)C(C(C)C)C(C)C ZINC000308518462 573224396 /nfs/dbraw/zinc/22/43/96/573224396.db2.gz GKRQBUCBZRITOO-AAEUAGOBSA-N 1 0 199.382 3.549 10 0 AHAERO CC[C@@H](C)[C@@H]([NH2+]C)C(C(C)C)C(C)C ZINC000308518463 573222835 /nfs/dbraw/zinc/22/28/35/573222835.db2.gz GKRQBUCBZRITOO-DGCLKSJQSA-N 1 0 199.382 3.549 10 0 AHAERO CC[C@H](C)[C@@H]([NH2+]C)C(C(C)C)C(C)C ZINC000308518464 573224403 /nfs/dbraw/zinc/22/44/03/573224403.db2.gz GKRQBUCBZRITOO-WCQYABFASA-N 1 0 199.382 3.549 10 0 AHAERO CC[C@@H](C)[C@H]([NH2+]C)C(C(C)C)C(C)C ZINC000308518465 573222118 /nfs/dbraw/zinc/22/21/18/573222118.db2.gz GKRQBUCBZRITOO-YPMHNXCESA-N 1 0 199.382 3.549 10 0 AHAERO CC[C@H](C)[NH2+][C@@H]1CC[C@@H](CC(C)C)C1 ZINC000308519203 573220753 /nfs/dbraw/zinc/22/07/53/573220753.db2.gz OAFMLJARHINQFP-RWMBFGLXSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)[NH2+][C@@H]1CC[C@H](CC(C)C)C1 ZINC000308519207 573222855 /nfs/dbraw/zinc/22/28/55/573222855.db2.gz OAFMLJARHINQFP-YNEHKIRRSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)(CC)C[NH2+]C1CC(C)C1 ZINC000308519626 491109929 /nfs/dbraw/zinc/10/99/29/491109929.db2.gz OFYLEDHNKAUADY-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+]C/C(=C/[C@@H](C)C(C)C)CC ZINC000308520422 573228561 /nfs/dbraw/zinc/22/85/61/573228561.db2.gz RNFXIQBNKGXXAR-AUWXEVLLSA-N 1 0 197.366 3.615 10 0 AHAERO CCC[NH2+]C/C(=C\[C@@H](C)C(C)C)CC ZINC000308520424 573228120 /nfs/dbraw/zinc/22/81/20/573228120.db2.gz RNFXIQBNKGXXAR-FNWMBBJUSA-N 1 0 197.366 3.615 10 0 AHAERO CCC[NH2+]C/C(=C/[C@H](C)C(C)C)CC ZINC000308520425 573227557 /nfs/dbraw/zinc/22/75/57/573227557.db2.gz RNFXIQBNKGXXAR-OQZOHAQUSA-N 1 0 197.366 3.615 10 0 AHAERO CCC[NH2+]C/C(=C\[C@H](C)C(C)C)CC ZINC000308520426 573226432 /nfs/dbraw/zinc/22/64/32/573226432.db2.gz RNFXIQBNKGXXAR-VWLVURMCSA-N 1 0 197.366 3.615 10 0 AHAERO CCC(CC)[NH2+]CC1(CC(C)C)CC1 ZINC000308520632 573224847 /nfs/dbraw/zinc/22/48/47/573224847.db2.gz OQILTFCWWFSZMB-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C[C@@H](C)C[NH+]1CCCCCC1 ZINC000308520665 573226350 /nfs/dbraw/zinc/22/63/50/573226350.db2.gz XNYUHMUBAAETPG-CYBMUJFWSA-N 1 0 197.366 3.545 10 0 AHAERO CC(C)C[C@H](C)C[NH+]1CCCCCC1 ZINC000308520666 573227177 /nfs/dbraw/zinc/22/71/77/573227177.db2.gz XNYUHMUBAAETPG-ZDUSSCGKSA-N 1 0 197.366 3.545 10 0 AHAERO CC(C)CC[NH2+][C@H](C)CC1CCCC1 ZINC000308521527 573242987 /nfs/dbraw/zinc/24/29/87/573242987.db2.gz PAJXKWJEOSVJKQ-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[NH2+][C@@H](C)CC1CCCC1 ZINC000308521528 573242934 /nfs/dbraw/zinc/24/29/34/573242934.db2.gz PAJXKWJEOSVJKQ-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+][C@@H](C)[C@@H](C)CC)C1CC1 ZINC000308521596 573242505 /nfs/dbraw/zinc/24/25/05/573242505.db2.gz HXRICEJRSJTDDM-GVXVVHGQSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H]([NH2+][C@H](C)[C@@H](C)CC)C1CC1 ZINC000308521597 573241504 /nfs/dbraw/zinc/24/15/04/573241504.db2.gz HXRICEJRSJTDDM-LOWVWBTDSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H]([NH2+][C@@H](C)[C@H](C)CC)C1CC1 ZINC000308521598 573241008 /nfs/dbraw/zinc/24/10/08/573241008.db2.gz HXRICEJRSJTDDM-MDZLAQPJSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)C[C@H](C)[NH2+]C[C@H](C)C(C)C ZINC000308523858 573247046 /nfs/dbraw/zinc/24/70/46/573247046.db2.gz WBZGCIIUFHBUJR-AVGNSLFASA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](C)C(C)C ZINC000308523859 573246540 /nfs/dbraw/zinc/24/65/40/573246540.db2.gz WBZGCIIUFHBUJR-RWMBFGLXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)C[C@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000308523860 573246257 /nfs/dbraw/zinc/24/62/57/573246257.db2.gz WBZGCIIUFHBUJR-XQQFMLRXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H](C)C(C)C ZINC000308523861 573248223 /nfs/dbraw/zinc/24/82/23/573248223.db2.gz WBZGCIIUFHBUJR-YNEHKIRRSA-N 1 0 199.382 3.693 10 0 AHAERO CCCCC[C@@H](C)C[C@H]1CCCC[NH2+]1 ZINC000308526522 573236087 /nfs/dbraw/zinc/23/60/87/573236087.db2.gz BAUYFFTXEYRAQG-CHWSQXEVSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@@H](C)C[C@@H]1CCCC[NH2+]1 ZINC000308526523 573236128 /nfs/dbraw/zinc/23/61/28/573236128.db2.gz BAUYFFTXEYRAQG-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H](C)C[C@H]1CCCC[NH2+]1 ZINC000308526524 573235063 /nfs/dbraw/zinc/23/50/63/573235063.db2.gz BAUYFFTXEYRAQG-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H](C)C[C@@H]1CCCC[NH2+]1 ZINC000308526525 573239542 /nfs/dbraw/zinc/23/95/42/573239542.db2.gz BAUYFFTXEYRAQG-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CCCC(C)(C)[NH2+]C[C@H](C)C(C)(C)C ZINC000308526545 573237822 /nfs/dbraw/zinc/23/78/22/573237822.db2.gz IWZCQAZMXHYUHJ-NSHDSACASA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)[C@@H]([NH3+])C[C@H](C)C1CCCCC1 ZINC000308526979 573236447 /nfs/dbraw/zinc/23/64/47/573236447.db2.gz XWNHMPAXLZJOTP-AAEUAGOBSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@H]([NH3+])C[C@@H](C)C1CCCCC1 ZINC000308526980 573236139 /nfs/dbraw/zinc/23/61/39/573236139.db2.gz XWNHMPAXLZJOTP-DGCLKSJQSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@H]([NH3+])C[C@H](C)C1CCCCC1 ZINC000308526981 573237534 /nfs/dbraw/zinc/23/75/34/573237534.db2.gz XWNHMPAXLZJOTP-WCQYABFASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@@H]([NH3+])C[C@@H](C)C1CCCCC1 ZINC000308526982 573235471 /nfs/dbraw/zinc/23/54/71/573235471.db2.gz XWNHMPAXLZJOTP-YPMHNXCESA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@H](C)C[NH2+]C(C)(C)C(C)(C)C ZINC000308527804 573239033 /nfs/dbraw/zinc/23/90/33/573239033.db2.gz YJMKEQIGPUMTEZ-LLVKDONJSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+]CCCCC1CCC(C)(C)CC1 ZINC000308528058 573238673 /nfs/dbraw/zinc/23/86/73/573238673.db2.gz PUKCMOJHZKMSOF-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC([NH3+])(CC)C[C@H]1CCC[C@@H](C)C1 ZINC000308528972 573239850 /nfs/dbraw/zinc/23/98/50/573239850.db2.gz PXPLCEKTMZJXHD-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CCC([NH3+])(CC)C[C@@H]1CCC[C@H](C)C1 ZINC000308528974 573235632 /nfs/dbraw/zinc/23/56/32/573235632.db2.gz PXPLCEKTMZJXHD-NWDGAFQWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC([NH3+])(CC)C[C@H]1CCC[C@H](C)C1 ZINC000308528977 573235226 /nfs/dbraw/zinc/23/52/26/573235226.db2.gz PXPLCEKTMZJXHD-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[NH2+]CCC1CCC(C)(C)CC1 ZINC000308529091 573237169 /nfs/dbraw/zinc/23/71/69/573237169.db2.gz QFIVITCZUFQWJM-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCCCC[C@@H]([NH2+]CC)C1(CC)CC1 ZINC000308529365 573253731 /nfs/dbraw/zinc/25/37/31/573253731.db2.gz KEUHXOJLACLTKZ-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@H]([NH2+]CC)C1(CC)CC1 ZINC000308529366 573255666 /nfs/dbraw/zinc/25/56/66/573255666.db2.gz KEUHXOJLACLTKZ-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@H](CC1CCC(C)CC1)[C@@H](C)[NH3+] ZINC000308529910 573255433 /nfs/dbraw/zinc/25/54/33/573255433.db2.gz QIOXJTOWLVKRLZ-KPFVRQRISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](CC1CCC(C)CC1)[C@H](C)[NH3+] ZINC000308529914 573255674 /nfs/dbraw/zinc/25/56/74/573255674.db2.gz QIOXJTOWLVKRLZ-MVKMKZAISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](CC1CCC(C)CC1)[C@@H](C)[NH3+] ZINC000308529918 573255308 /nfs/dbraw/zinc/25/53/08/573255308.db2.gz QIOXJTOWLVKRLZ-POOIEITISA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](CC1CCC(C)CC1)[C@H](C)[NH3+] ZINC000308529922 573253496 /nfs/dbraw/zinc/25/34/96/573253496.db2.gz QIOXJTOWLVKRLZ-PYNQCMFNSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@@H]([NH2+]CCC)C1(CC)CC1 ZINC000308530225 573251516 /nfs/dbraw/zinc/25/15/16/573251516.db2.gz KOWLYULYSVQVKN-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@H]([NH2+]CCC)C1(CC)CC1 ZINC000308530226 573253465 /nfs/dbraw/zinc/25/34/65/573253465.db2.gz KOWLYULYSVQVKN-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC(CC)CC1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000308531932 573265160 /nfs/dbraw/zinc/26/51/60/573265160.db2.gz KITGDYONPSNNAT-GHMZBOCLSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)C[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000308531933 573265670 /nfs/dbraw/zinc/26/56/70/573265670.db2.gz KITGDYONPSNNAT-PTEHBNRSSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)CC1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000308531936 573269545 /nfs/dbraw/zinc/26/95/45/573269545.db2.gz KITGDYONPSNNAT-QWRGUYRKSA-N 1 0 197.366 3.589 10 0 AHAERO CCCCC[NH2+]CC(C)(C)C(C)(C)C ZINC000308533379 573283775 /nfs/dbraw/zinc/28/37/75/573283775.db2.gz CSZTXOKJWYJZMC-UHFFFAOYSA-N 1 0 199.382 3.839 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1[C@@](C)(CC)C[NH3+] ZINC000308534493 573287807 /nfs/dbraw/zinc/28/78/07/573287807.db2.gz KYPNAIVNUFKHNA-AGIUHOORSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CCCC[C@@H]1[C@](C)(CC)C[NH3+] ZINC000308534494 573287748 /nfs/dbraw/zinc/28/77/48/573287748.db2.gz KYPNAIVNUFKHNA-FRRDWIJNSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CCCC[C@H]1[C@](C)(CC)C[NH3+] ZINC000308534496 573288481 /nfs/dbraw/zinc/28/84/81/573288481.db2.gz KYPNAIVNUFKHNA-JHJVBQTASA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CCCC[C@H]1[C@@](C)(CC)C[NH3+] ZINC000308534497 573288393 /nfs/dbraw/zinc/28/83/93/573288393.db2.gz KYPNAIVNUFKHNA-UPJWGTAASA-N 1 0 197.366 3.578 10 0 AHAERO CC[NH2+][C@H](C)/C(C)=C/[C@H](C)C(C)(C)C ZINC000308536437 573279154 /nfs/dbraw/zinc/27/91/54/573279154.db2.gz LKHNAGJFVKCPEQ-NYXKHXTOSA-N 1 0 197.366 3.613 10 0 AHAERO CCC[C@@H]([NH2+][C@H](CC)C(C)C)C1CC1 ZINC000308536532 573276412 /nfs/dbraw/zinc/27/64/12/573276412.db2.gz LMBGPJOOTLPLJP-CHWSQXEVSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H]([NH2+][C@H](CC)C(C)C)C1CC1 ZINC000308536536 573277479 /nfs/dbraw/zinc/27/74/79/573277479.db2.gz LMBGPJOOTLPLJP-OLZOCXBDSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@@H]([NH2+][C@@H](CC)C(C)C)C1CC1 ZINC000308536540 573279231 /nfs/dbraw/zinc/27/92/31/573279231.db2.gz LMBGPJOOTLPLJP-QWHCGFSZSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H]([NH2+][C@@H](CC)C(C)C)C1CC1 ZINC000308536544 573280135 /nfs/dbraw/zinc/28/01/35/573280135.db2.gz LMBGPJOOTLPLJP-STQMWFEESA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](C)[C@]1(C[NH3+])CCC[C@@H](CC)C1 ZINC000308538662 573281232 /nfs/dbraw/zinc/28/12/32/573281232.db2.gz MATJVYICFJROAB-JHJVBQTASA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H](C)[C@@]1(C[NH3+])CCC[C@@H](CC)C1 ZINC000308538664 573283306 /nfs/dbraw/zinc/28/33/06/573283306.db2.gz MATJVYICFJROAB-UPJWGTAASA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H](C)[C@]1(C[NH3+])CCC[C@@H](CC)C1 ZINC000308538667 573281398 /nfs/dbraw/zinc/28/13/98/573281398.db2.gz MATJVYICFJROAB-YNEHKIRRSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC1([C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000308540380 573282560 /nfs/dbraw/zinc/28/25/60/573282560.db2.gz NRBMIZJXIBLGLE-LLVKDONJSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC1([C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000308540381 573285381 /nfs/dbraw/zinc/28/53/81/573285381.db2.gz NRBMIZJXIBLGLE-NSHDSACASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H]([NH2+]CCCC(C)C)C1CC1 ZINC000308541732 573289028 /nfs/dbraw/zinc/28/90/28/573289028.db2.gz MWBQFEKFNPHWSV-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+]CCCC(C)C)C1CC1 ZINC000308541734 573288165 /nfs/dbraw/zinc/28/81/65/573288165.db2.gz MWBQFEKFNPHWSV-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@H]([NH2+]C)C1(CC)CC1 ZINC000308543263 573305004 /nfs/dbraw/zinc/30/50/04/573305004.db2.gz ORKXFDBKKQEOIJ-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)C[C@H]([NH2+]C)C1(CC)CC1 ZINC000308543266 573308987 /nfs/dbraw/zinc/30/89/87/573308987.db2.gz ORKXFDBKKQEOIJ-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)C[C@@H]([NH2+]C)C1(CC)CC1 ZINC000308543268 573307380 /nfs/dbraw/zinc/30/73/80/573307380.db2.gz ORKXFDBKKQEOIJ-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+]CC=C1CCC1 ZINC000308543432 573308979 /nfs/dbraw/zinc/30/89/79/573308979.db2.gz VDTQCFGBXMPTER-LLVKDONJSA-N 1 0 195.350 3.511 10 0 AHAERO CCC(CC)[C@H](C)[NH2+]CC=C1CCC1 ZINC000308543433 573307361 /nfs/dbraw/zinc/30/73/61/573307361.db2.gz VDTQCFGBXMPTER-NSHDSACASA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@@H]1CCC[C@H]([C@@](C)(CC)C[NH3+])C1 ZINC000308543921 573308303 /nfs/dbraw/zinc/30/83/03/573308303.db2.gz NLZFRLSUJWRUDZ-AGIUHOORSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CCC[C@H]([C@](C)(CC)C[NH3+])C1 ZINC000308543923 573309485 /nfs/dbraw/zinc/30/94/85/573309485.db2.gz NLZFRLSUJWRUDZ-FRRDWIJNSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CCC[C@@H]([C@](C)(CC)C[NH3+])C1 ZINC000308543924 573306548 /nfs/dbraw/zinc/30/65/48/573306548.db2.gz NLZFRLSUJWRUDZ-JHJVBQTASA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CCC[C@@H]([C@@](C)(CC)C[NH3+])C1 ZINC000308543926 573305519 /nfs/dbraw/zinc/30/55/19/573305519.db2.gz NLZFRLSUJWRUDZ-UPJWGTAASA-N 1 0 197.366 3.578 10 0 AHAERO CCCC1([C@@H]([NH2+]CC)[C@H](C)CC)CC1 ZINC000308543998 573306541 /nfs/dbraw/zinc/30/65/41/573306541.db2.gz OZKZISIOGWHKFR-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC1([C@H]([NH2+]CC)[C@@H](C)CC)CC1 ZINC000308543999 573306567 /nfs/dbraw/zinc/30/65/67/573306567.db2.gz OZKZISIOGWHKFR-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC1([C@@H]([NH2+]CC)[C@@H](C)CC)CC1 ZINC000308544000 573309164 /nfs/dbraw/zinc/30/91/64/573309164.db2.gz OZKZISIOGWHKFR-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC1([C@H]([NH2+]CC)[C@H](C)CC)CC1 ZINC000308544001 573307418 /nfs/dbraw/zinc/30/74/18/573307418.db2.gz OZKZISIOGWHKFR-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC1(C[NH2+]CC=C(C)C)CCC1 ZINC000308544839 573306854 /nfs/dbraw/zinc/30/68/54/573306854.db2.gz VNYWRAMSFMKTGK-UHFFFAOYSA-N 1 0 195.350 3.513 10 0 AHAERO CCCC1([C@H]([NH2+]C)C(CC)CC)CC1 ZINC000308545191 573309720 /nfs/dbraw/zinc/30/97/20/573309720.db2.gz PJJISQLOFOHKSS-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC1([C@@H]([NH2+]C)C(CC)CC)CC1 ZINC000308545192 573307203 /nfs/dbraw/zinc/30/72/03/573307203.db2.gz PJJISQLOFOHKSS-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CC[C@H]1[NH2+]CCCCC(C)C ZINC000308545640 573312573 /nfs/dbraw/zinc/31/25/73/573312573.db2.gz VUGXSNFDRXVIPF-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1CC[C@@H]1[NH2+]CCCCC(C)C ZINC000308545641 573313949 /nfs/dbraw/zinc/31/39/49/573313949.db2.gz VUGXSNFDRXVIPF-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CC[C@H]1[NH2+]CCCCC(C)C ZINC000308545642 573312901 /nfs/dbraw/zinc/31/29/01/573312901.db2.gz VUGXSNFDRXVIPF-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1CC[C@@H]1[NH2+]CCCCC(C)C ZINC000308545644 573311707 /nfs/dbraw/zinc/31/17/07/573311707.db2.gz VUGXSNFDRXVIPF-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO C[C@H](CC[NH3+])CC1CCC(C)(C)CC1 ZINC000308545766 573312871 /nfs/dbraw/zinc/31/28/71/573312871.db2.gz VLWOXKUSYXNPFT-LLVKDONJSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@@H](CC[NH3+])CC1CCC(C)(C)CC1 ZINC000308545768 573311662 /nfs/dbraw/zinc/31/16/62/573311662.db2.gz VLWOXKUSYXNPFT-NSHDSACASA-N 1 0 197.366 3.578 10 0 AHAERO CCC([NH3+])(CC)CC1CCC(C)CC1 ZINC000308545883 573311326 /nfs/dbraw/zinc/31/13/26/573311326.db2.gz VQQFADWPMAQSDL-UHFFFAOYSA-N 1 0 197.366 3.720 10 0 AHAERO C[NH2+][C@H](C)CCC[C@H]1CCC[C@@H](C)C1 ZINC000308546930 573312267 /nfs/dbraw/zinc/31/22/67/573312267.db2.gz VZMWEKDFFMLUJZ-JHJVBQTASA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)CCC[C@@H]1CCC[C@@H](C)C1 ZINC000308546931 573313094 /nfs/dbraw/zinc/31/30/94/573313094.db2.gz VZMWEKDFFMLUJZ-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)CCC[C@@H]1CCC[C@H](C)C1 ZINC000308546933 573313785 /nfs/dbraw/zinc/31/37/85/573313785.db2.gz VZMWEKDFFMLUJZ-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)CCC[C@H]1CCC[C@H](C)C1 ZINC000308546936 573312335 /nfs/dbraw/zinc/31/23/35/573312335.db2.gz VZMWEKDFFMLUJZ-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H]([C@H](C)CC(C)C)[C@@H](C)C(C)C ZINC000308548582 573307353 /nfs/dbraw/zinc/30/73/53/573307353.db2.gz OWKWADBGHPAWPP-FRRDWIJNSA-N 1 0 199.382 3.549 10 0 AHAERO C[NH2+][C@H]([C@H](C)CC(C)C)[C@H](C)C(C)C ZINC000308548583 573306709 /nfs/dbraw/zinc/30/67/09/573306709.db2.gz OWKWADBGHPAWPP-JHJVBQTASA-N 1 0 199.382 3.549 10 0 AHAERO C[NH2+][C@H]([C@@H](C)CC(C)C)[C@@H](C)C(C)C ZINC000308548584 573304971 /nfs/dbraw/zinc/30/49/71/573304971.db2.gz OWKWADBGHPAWPP-RWMBFGLXSA-N 1 0 199.382 3.549 10 0 AHAERO C[NH2+][C@@H]([C@H](C)C(C)C)[C@@H](C)CC(C)C ZINC000308548585 573308739 /nfs/dbraw/zinc/30/87/39/573308739.db2.gz OWKWADBGHPAWPP-YNEHKIRRSA-N 1 0 199.382 3.549 10 0 AHAERO CC(C)[NH2+]CCCCC1(C)CCCC1 ZINC000308549454 573329436 /nfs/dbraw/zinc/32/94/36/573329436.db2.gz RCHXSFXSZIXJMH-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CCC(C)(C)C[NH2+]CCC1CCCC1 ZINC000308549948 573328804 /nfs/dbraw/zinc/32/88/04/573328804.db2.gz XELCGVZTGOIASR-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+][C@@H](CC)CC1CCC(C)CC1 ZINC000308550380 573328820 /nfs/dbraw/zinc/32/88/20/573328820.db2.gz XJGKMOYXHNQEBM-BPCQOVAHSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC)CC1CCC(C)CC1 ZINC000308550383 573328808 /nfs/dbraw/zinc/32/88/08/573328808.db2.gz XJGKMOYXHNQEBM-WXRRBKDZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@@H]([NH2+]C)C1(CC)CC1 ZINC000308550566 573328254 /nfs/dbraw/zinc/32/82/54/573328254.db2.gz RQOKOKWZDOPEFQ-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@H]([NH2+]C)C1(CC)CC1 ZINC000308550567 573329992 /nfs/dbraw/zinc/32/99/92/573329992.db2.gz RQOKOKWZDOPEFQ-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@]1(C[C@@H](C)C(C)(C)C)CCC[NH2+]1 ZINC000308550772 573315923 /nfs/dbraw/zinc/31/59/23/573315923.db2.gz QAGIUUDWDMGCGZ-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@]1(C[C@H](C)C(C)(C)C)CCC[NH2+]1 ZINC000308550773 573319373 /nfs/dbraw/zinc/31/93/73/573319373.db2.gz QAGIUUDWDMGCGZ-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@]1(C[C@@H](C)C(C)(C)C)CCC[NH2+]1 ZINC000308550774 573320226 /nfs/dbraw/zinc/32/02/26/573320226.db2.gz QAGIUUDWDMGCGZ-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC1CCC([C@@](C)(CC)C[NH3+])CC1 ZINC000308550791 573319275 /nfs/dbraw/zinc/31/92/75/573319275.db2.gz QBGIULAVWSLLIB-BPCQOVAHSA-N 1 0 197.366 3.578 10 0 AHAERO CCC1CCC([C@](C)(CC)C[NH3+])CC1 ZINC000308550792 573317514 /nfs/dbraw/zinc/31/75/14/573317514.db2.gz QBGIULAVWSLLIB-WXRRBKDZSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H]([NH3+])CCCC1CCC(C)CC1 ZINC000308551096 573320198 /nfs/dbraw/zinc/32/01/98/573320198.db2.gz XOJLFWYGLFALBI-BPCQOVAHSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]([NH3+])CCCC1CCC(C)CC1 ZINC000308551097 573318544 /nfs/dbraw/zinc/31/85/44/573318544.db2.gz XOJLFWYGLFALBI-WXRRBKDZSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H]([NH3+])CCCC1(C)CCCC1 ZINC000308551862 573315852 /nfs/dbraw/zinc/31/58/52/573315852.db2.gz SGWZZSCGOVVPEU-GFCCVEGCSA-N 1 0 197.366 3.864 10 0 AHAERO CCC[C@H]([NH3+])CCCC1(C)CCCC1 ZINC000308551866 573319574 /nfs/dbraw/zinc/31/95/74/573319574.db2.gz SGWZZSCGOVVPEU-LBPRGKRZSA-N 1 0 197.366 3.864 10 0 AHAERO CCC(C)(C)C[NH2+][C@H]1CC[C@H](C)CC1 ZINC000308552886 573324951 /nfs/dbraw/zinc/32/49/51/573324951.db2.gz YFPYEBJFTRBBDY-HAQNSBGRSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H]([NH3+])C[C@H]1CCC[C@@H](C)C1 ZINC000308553306 573324558 /nfs/dbraw/zinc/32/45/58/573324558.db2.gz YNWWZKFNQQWNNE-AGIUHOORSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H]([NH3+])C[C@@H]1CCC[C@H](C)C1 ZINC000308553312 573325200 /nfs/dbraw/zinc/32/52/00/573325200.db2.gz YNWWZKFNQQWNNE-XQQFMLRXSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)[C@H]([NH2+]C)C1(CCC)CC1 ZINC000308553815 573321693 /nfs/dbraw/zinc/32/16/93/573321693.db2.gz UDHBOWCZKUHNAF-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@@H]([NH2+]C)C1(CCC)CC1 ZINC000308553816 573326068 /nfs/dbraw/zinc/32/60/68/573326068.db2.gz UDHBOWCZKUHNAF-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@H]([NH2+]C)C1(CCC)CC1 ZINC000308553817 573321036 /nfs/dbraw/zinc/32/10/36/573321036.db2.gz UDHBOWCZKUHNAF-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[C@@H]([NH2+]C)C1(CCC)CC1 ZINC000308553818 573323262 /nfs/dbraw/zinc/32/32/62/573323262.db2.gz UDHBOWCZKUHNAF-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C[NH3+])C[C@H]1CCC[C@@H](C)C1 ZINC000308554370 573342648 /nfs/dbraw/zinc/34/26/48/573342648.db2.gz YWAGJLWFXMISTM-AGIUHOORSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@H](C[NH3+])C[C@H]1CCC[C@H](C)C1 ZINC000308554371 573342344 /nfs/dbraw/zinc/34/23/44/573342344.db2.gz YWAGJLWFXMISTM-AVGNSLFASA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@H](C[NH3+])C[C@@H]1CCC[C@H](C)C1 ZINC000308554373 573340617 /nfs/dbraw/zinc/34/06/17/573340617.db2.gz YWAGJLWFXMISTM-XQQFMLRXSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@H]([NH3+])CC1CCC(C)CC1 ZINC000308554395 573339449 /nfs/dbraw/zinc/33/94/49/573339449.db2.gz YXSANPQWHKHOMM-BPCQOVAHSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H]([NH3+])CC1CCC(C)CC1 ZINC000308554396 573339334 /nfs/dbraw/zinc/33/93/34/573339334.db2.gz YXSANPQWHKHOMM-WXRRBKDZSA-N 1 0 197.366 3.720 10 0 AHAERO CC1CCC(CC(C)(C)CC[NH3+])CC1 ZINC000308555305 573338617 /nfs/dbraw/zinc/33/86/17/573338617.db2.gz ZICHXQSNNFHNEO-UHFFFAOYSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCCC[NH2+][C@H](CCC)C1CC1 ZINC000308555788 573342391 /nfs/dbraw/zinc/34/23/91/573342391.db2.gz SECMTJSERCUJGF-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[NH2+][C@@H](CCC)C1CC1 ZINC000308555790 573343152 /nfs/dbraw/zinc/34/31/52/573343152.db2.gz SECMTJSERCUJGF-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC(C)(CC)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000308556080 573348062 /nfs/dbraw/zinc/34/80/62/573348062.db2.gz ZKSCNIXMJIONQU-GHMZBOCLSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(C)(CC)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000308556081 573345796 /nfs/dbraw/zinc/34/57/96/573345796.db2.gz ZKSCNIXMJIONQU-MNOVXSKESA-N 1 0 197.366 3.589 10 0 AHAERO CCC(C)(CC)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000308556083 573345066 /nfs/dbraw/zinc/34/50/66/573345066.db2.gz ZKSCNIXMJIONQU-QWRGUYRKSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(C)(CC)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000308556086 573344049 /nfs/dbraw/zinc/34/40/49/573344049.db2.gz ZKSCNIXMJIONQU-WDEREUQCSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)=CCC/C(C)=C\C[NH2+]C(C)C ZINC000308556283 573345488 /nfs/dbraw/zinc/34/54/88/573345488.db2.gz ZLYUVKNVEMSLMM-LCYFTJDESA-N 1 0 195.350 3.677 10 0 AHAERO CC(C)=CCC/C(C)=C/C[NH2+]C(C)C ZINC000308556284 573345497 /nfs/dbraw/zinc/34/54/97/573345497.db2.gz ZLYUVKNVEMSLMM-UKTHLTGXSA-N 1 0 195.350 3.677 10 0 AHAERO CCC(CC)[C@@]1(C[NH3+])CC[C@H](CC)C1 ZINC000308557218 573346896 /nfs/dbraw/zinc/34/68/96/573346896.db2.gz TWYZPCRCVKNKNC-AAEUAGOBSA-N 1 0 197.366 3.578 10 0 AHAERO CCC(CC)[C@]1(C[NH3+])CC[C@@H](CC)C1 ZINC000308557219 573345154 /nfs/dbraw/zinc/34/51/54/573345154.db2.gz TWYZPCRCVKNKNC-DGCLKSJQSA-N 1 0 197.366 3.578 10 0 AHAERO CCC(CC)[C@]1(C[NH3+])CC[C@H](CC)C1 ZINC000308557221 573345475 /nfs/dbraw/zinc/34/54/75/573345475.db2.gz TWYZPCRCVKNKNC-WCQYABFASA-N 1 0 197.366 3.578 10 0 AHAERO CCC(CC)[C@@]1(C[NH3+])CC[C@@H](CC)C1 ZINC000308557223 573345316 /nfs/dbraw/zinc/34/53/16/573345316.db2.gz TWYZPCRCVKNKNC-YPMHNXCESA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@@H](C)[C@@H]([NH3+])CC1(CC)CCC1 ZINC000308557282 573348768 /nfs/dbraw/zinc/34/87/68/573348768.db2.gz BUWLVAIJRGYUCK-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])CC1(CC)CCC1 ZINC000308557283 573346444 /nfs/dbraw/zinc/34/64/44/573346444.db2.gz BUWLVAIJRGYUCK-NWDGAFQWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H](C)[C@@H]([NH3+])CC1(CC)CCC1 ZINC000308557285 573345725 /nfs/dbraw/zinc/34/57/25/573345725.db2.gz BUWLVAIJRGYUCK-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)[C@H]([NH3+])CC1(CC)CCC1 ZINC000308557287 573348553 /nfs/dbraw/zinc/34/85/53/573348553.db2.gz BUWLVAIJRGYUCK-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[NH2+][C@H](C=C(C)C)C1(CC)CC1 ZINC000308558000 573344548 /nfs/dbraw/zinc/34/45/48/573344548.db2.gz VHPMNSAXSKJYGN-GFCCVEGCSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[C@@H]([NH2+]CC(CC)CC)C1CC1 ZINC000308560692 573337600 /nfs/dbraw/zinc/33/76/00/573337600.db2.gz VWRNGPHXZBEELV-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]([NH2+]CC(CC)CC)C1CC1 ZINC000308560693 573336816 /nfs/dbraw/zinc/33/68/16/573336816.db2.gz VWRNGPHXZBEELV-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C[C@H](C)CC)C1(CC)CC1 ZINC000308560837 573336986 /nfs/dbraw/zinc/33/69/86/573336986.db2.gz XDXUDZIAUIYIHK-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C[C@@H](C)CC)C1(CC)CC1 ZINC000308560838 573333741 /nfs/dbraw/zinc/33/37/41/573333741.db2.gz XDXUDZIAUIYIHK-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C[C@@H](C)CC)C1(CC)CC1 ZINC000308560839 573333882 /nfs/dbraw/zinc/33/38/82/573333882.db2.gz XDXUDZIAUIYIHK-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C[C@H](C)CC)C1(CC)CC1 ZINC000308560840 573334899 /nfs/dbraw/zinc/33/48/99/573334899.db2.gz XDXUDZIAUIYIHK-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)[C@H](CC1(CC)CCC1)[NH2+]C ZINC000308561373 573356910 /nfs/dbraw/zinc/35/69/10/573356910.db2.gz FMHJOOKIVHQWPO-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@@H](CC1(CC)CCC1)[NH2+]C ZINC000308561375 573354164 /nfs/dbraw/zinc/35/41/64/573354164.db2.gz FMHJOOKIVHQWPO-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@H](CC1(CC)CCC1)[NH2+]C ZINC000308561376 573356123 /nfs/dbraw/zinc/35/61/23/573356123.db2.gz FMHJOOKIVHQWPO-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)[C@@H](CC1(CC)CCC1)[NH2+]C ZINC000308561377 573355574 /nfs/dbraw/zinc/35/55/74/573355574.db2.gz FMHJOOKIVHQWPO-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)CCCC1(C)CCCC1 ZINC000308561732 573357212 /nfs/dbraw/zinc/35/72/12/573357212.db2.gz XVAXPSNTPTZNAZ-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H](C)CCCC1(C)CCCC1 ZINC000308561733 573355246 /nfs/dbraw/zinc/35/52/46/573355246.db2.gz XVAXPSNTPTZNAZ-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC1([C@@H](CCC(C)C)[NH2+]C)CC1 ZINC000308561762 573358524 /nfs/dbraw/zinc/35/85/24/573358524.db2.gz XWHRPJYTPQKYSY-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC1([C@H](CCC(C)C)[NH2+]C)CC1 ZINC000308561763 573358074 /nfs/dbraw/zinc/35/80/74/573358074.db2.gz XWHRPJYTPQKYSY-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@H]([NH2+]C)[C@@H](C)CC(C)C ZINC000308561855 573356497 /nfs/dbraw/zinc/35/64/97/573356497.db2.gz WIRGRESWVNGAIN-AAEUAGOBSA-N 1 0 199.382 3.693 10 0 AHAERO CCC(CC)[C@H]([NH2+]C)[C@H](C)CC(C)C ZINC000308561856 573357830 /nfs/dbraw/zinc/35/78/30/573357830.db2.gz WIRGRESWVNGAIN-DGCLKSJQSA-N 1 0 199.382 3.693 10 0 AHAERO CCC(CC)[C@H]([NH2+]C)[C@@H](C)CC(C)C ZINC000308561857 573355350 /nfs/dbraw/zinc/35/53/50/573355350.db2.gz WIRGRESWVNGAIN-WCQYABFASA-N 1 0 199.382 3.693 10 0 AHAERO CCC[NH2+]CC(C)(C)[C@H](C)CC(C)C ZINC000308561876 573358634 /nfs/dbraw/zinc/35/86/34/573358634.db2.gz WKDSGCHIYJFNFB-GFCCVEGCSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+]CC(C)(C)[C@@H](C)CC(C)C ZINC000308561877 573357170 /nfs/dbraw/zinc/35/71/70/573357170.db2.gz WKDSGCHIYJFNFB-LBPRGKRZSA-N 1 0 199.382 3.694 10 0 AHAERO CCCC(C)(C)[NH2+]CC1(CC)CCC1 ZINC000308562907 573360190 /nfs/dbraw/zinc/36/01/90/573360190.db2.gz GGHORCUIHGCXSN-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)[C@H]([NH3+])CCCC1(C)CCCC1 ZINC000308563093 573363173 /nfs/dbraw/zinc/36/31/73/573363173.db2.gz YRCFGCRYWOJEQO-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)[C@@H]([NH3+])CCCC1(C)CCCC1 ZINC000308563094 573359560 /nfs/dbraw/zinc/35/95/60/573359560.db2.gz YRCFGCRYWOJEQO-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCCC[NH2+]C(C)(C)C(C)(C)C ZINC000308563206 573360072 /nfs/dbraw/zinc/36/00/72/573360072.db2.gz GLAJEKXCGHGZIJ-UHFFFAOYSA-N 1 0 199.382 3.981 10 0 AHAERO CCC[C@H](C)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000308563320 573364243 /nfs/dbraw/zinc/36/42/43/573364243.db2.gz XFRJNWYGPOHCLZ-AGIUHOORSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@H](C)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000308563321 573362904 /nfs/dbraw/zinc/36/29/04/573362904.db2.gz XFRJNWYGPOHCLZ-AVGNSLFASA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@H](C)[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000308563322 573363489 /nfs/dbraw/zinc/36/34/89/573363489.db2.gz XFRJNWYGPOHCLZ-FRRDWIJNSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@H](C)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000308563323 573360480 /nfs/dbraw/zinc/36/04/80/573360480.db2.gz XFRJNWYGPOHCLZ-RWMBFGLXSA-N 1 0 197.366 3.578 10 0 AHAERO CCC1(C[C@@H]([NH2+]C)C(C)(C)C)CCC1 ZINC000308565170 573377118 /nfs/dbraw/zinc/37/71/18/573377118.db2.gz HHLCZGOAANADOO-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC1(C[C@H]([NH2+]C)C(C)(C)C)CCC1 ZINC000308565171 573376838 /nfs/dbraw/zinc/37/68/38/573376838.db2.gz HHLCZGOAANADOO-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC1CC([NH2+][C@H](C)CCC(C)C)C1 ZINC000308565456 573376458 /nfs/dbraw/zinc/37/64/58/573376458.db2.gz ANSRKGMKLSQXDW-PNESKVBLSA-N 1 0 197.366 3.589 10 0 AHAERO C/C=C/CC[NH2+][C@H](C)CC1CCCC1 ZINC000308566251 573381352 /nfs/dbraw/zinc/38/13/52/573381352.db2.gz ATFLLMYFJJFVSQ-AAOUONPWSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C\CC[NH2+][C@@H](C)CC1CCCC1 ZINC000308566252 573384458 /nfs/dbraw/zinc/38/44/58/573384458.db2.gz ATFLLMYFJJFVSQ-MVZIDQBPSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C/CC[NH2+][C@@H](C)CC1CCCC1 ZINC000308566253 573383013 /nfs/dbraw/zinc/38/30/13/573383013.db2.gz ATFLLMYFJJFVSQ-PCAWENJQSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C\CC[NH2+][C@H](C)CC1CCCC1 ZINC000308566254 573381107 /nfs/dbraw/zinc/38/11/07/573381107.db2.gz ATFLLMYFJJFVSQ-VSQXVHSFSA-N 1 0 195.350 3.511 10 0 AHAERO CCCCC[C@@H]([NH3+])CC1(CC)CCC1 ZINC000308566322 573381193 /nfs/dbraw/zinc/38/11/93/573381193.db2.gz HVQNZDMZYACBNQ-GFCCVEGCSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCC[C@H]([NH3+])CC1(CC)CCC1 ZINC000308566323 573383319 /nfs/dbraw/zinc/38/33/19/573383319.db2.gz HVQNZDMZYACBNQ-LBPRGKRZSA-N 1 0 197.366 3.864 10 0 AHAERO C[NH2+][C@H](CCC(C)C)CC1(C)CCC1 ZINC000308567456 573385272 /nfs/dbraw/zinc/38/52/72/573385272.db2.gz IMCGZGDTOOUYOJ-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](CCC(C)C)CC1(C)CCC1 ZINC000308567458 573384632 /nfs/dbraw/zinc/38/46/32/573384632.db2.gz IMCGZGDTOOUYOJ-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@@H](C)[C@@H]([NH3+])CC1(C)CCC1 ZINC000308567738 573385298 /nfs/dbraw/zinc/38/52/98/573385298.db2.gz IPSUXHICCHRJDU-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](C)[C@H]([NH3+])CC1(C)CCC1 ZINC000308567739 573384883 /nfs/dbraw/zinc/38/48/83/573384883.db2.gz IPSUXHICCHRJDU-NWDGAFQWSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@H](C)[C@@H]([NH3+])CC1(C)CCC1 ZINC000308567740 573385245 /nfs/dbraw/zinc/38/52/45/573385245.db2.gz IPSUXHICCHRJDU-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCC[C@@H](C)[C@H]([NH3+])CC1(C)CCC1 ZINC000308567741 573380772 /nfs/dbraw/zinc/38/07/72/573380772.db2.gz IPSUXHICCHRJDU-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]([NH2+][C@@H](C)[C@@H](C)CC)C(C)(C)C ZINC000308570084 573395131 /nfs/dbraw/zinc/39/51/31/573395131.db2.gz BRYKIOLZZDXXKW-SDDRHHMPSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)C(C)(C)C ZINC000308570085 573393320 /nfs/dbraw/zinc/39/33/20/573393320.db2.gz BRYKIOLZZDXXKW-SRVKXCTJSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC)C(C)(C)C ZINC000308570086 573395406 /nfs/dbraw/zinc/39/54/06/573395406.db2.gz BRYKIOLZZDXXKW-TUAOUCFPSA-N 1 0 199.382 3.835 10 0 AHAERO CC[NH2+][C@@H](CC1(C)CCC1)[C@H](C)CC ZINC000308573029 573400151 /nfs/dbraw/zinc/40/01/51/573400151.db2.gz LJIDVMVLCDHJMK-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC1(C)CCC1)[C@@H](C)CC ZINC000308573031 573400349 /nfs/dbraw/zinc/40/03/49/573400349.db2.gz LJIDVMVLCDHJMK-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](CC1(C)CCC1)[C@H](C)CC ZINC000308573035 573399042 /nfs/dbraw/zinc/39/90/42/573399042.db2.gz LJIDVMVLCDHJMK-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)CC[C@@H]([NH3+])CC1(C)CCC1 ZINC000308574391 573408003 /nfs/dbraw/zinc/40/80/03/573408003.db2.gz LWLIXRHUKJIBHH-LLVKDONJSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)(C)CC[C@H]([NH3+])CC1(C)CCC1 ZINC000308574392 573406611 /nfs/dbraw/zinc/40/66/11/573406611.db2.gz LWLIXRHUKJIBHH-NSHDSACASA-N 1 0 197.366 3.720 10 0 AHAERO CCCCCC[C@@H]1CC[NH2+]CC1(C)C ZINC000308574882 573405102 /nfs/dbraw/zinc/40/51/02/573405102.db2.gz GTNXECRSOWICRQ-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCCC[C@H](C)[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000308575656 573406792 /nfs/dbraw/zinc/40/67/92/573406792.db2.gz DHOKODSPRWCQTK-QNWHQSFQSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@H](C)[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000308575658 573407116 /nfs/dbraw/zinc/40/71/16/573407116.db2.gz DHOKODSPRWCQTK-SRVKXCTJSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@H](C)[NH2+]C1[C@H](C)CC[C@H]1C ZINC000308575660 573403468 /nfs/dbraw/zinc/40/34/68/573403468.db2.gz DHOKODSPRWCQTK-UTUOFQBUSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@@H](C)[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000308575662 573407616 /nfs/dbraw/zinc/40/76/16/573407616.db2.gz DHOKODSPRWCQTK-XQHKEYJVSA-N 1 0 197.366 3.589 10 0 AHAERO C/C=C\CC[NH2+][C@@H](C)CCC=C(C)C ZINC000308575668 573407128 /nfs/dbraw/zinc/40/71/28/573407128.db2.gz DHPAQHBBTZVXTN-SZZPACECSA-N 1 0 195.350 3.677 10 0 AHAERO C/C=C/CC[NH2+][C@H](C)CCC=C(C)C ZINC000308575670 573406332 /nfs/dbraw/zinc/40/63/32/573406332.db2.gz DHPAQHBBTZVXTN-URWSZGRFSA-N 1 0 195.350 3.677 10 0 AHAERO CCC[NH2+][C@H](CCC)C1(CCC)CC1 ZINC000308576180 573404010 /nfs/dbraw/zinc/40/40/10/573404010.db2.gz DNNHURQGPZKYHG-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H](CCC)[NH2+]C1CC=CC1 ZINC000308580115 573419476 /nfs/dbraw/zinc/41/94/76/573419476.db2.gz GGOGSAWLSDBUSG-GFCCVEGCSA-N 1 0 195.350 3.654 10 0 AHAERO CCCC[C@H](CCC)[NH2+]C1CC=CC1 ZINC000308580116 573419063 /nfs/dbraw/zinc/41/90/63/573419063.db2.gz GGOGSAWLSDBUSG-LBPRGKRZSA-N 1 0 195.350 3.654 10 0 AHAERO CCCC[C@H](CCC)C[NH2+]C1CCC1 ZINC000308583378 573468535 /nfs/dbraw/zinc/46/85/35/573468535.db2.gz HNQYQMGBMKKOQP-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000308583508 573470798 /nfs/dbraw/zinc/47/07/98/573470798.db2.gz QMGGIVBCMLYNDB-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[NH2+][C@H]1CC[C@H](C(C)C)C1 ZINC000308584589 573471651 /nfs/dbraw/zinc/47/16/51/573471651.db2.gz HVKOBENOTNRKIV-AAEUAGOBSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[NH2+][C@@H]1CC[C@@H](C(C)C)C1 ZINC000308584593 573470122 /nfs/dbraw/zinc/47/01/22/573470122.db2.gz HVKOBENOTNRKIV-DGCLKSJQSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[NH2+][C@@H]1CC[C@H](C(C)C)C1 ZINC000308584596 573469928 /nfs/dbraw/zinc/46/99/28/573469928.db2.gz HVKOBENOTNRKIV-WCQYABFASA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)[NH2+][C@H]1CC[C@@H](C(C)C)C1 ZINC000308584600 573469560 /nfs/dbraw/zinc/46/95/60/573469560.db2.gz HVKOBENOTNRKIV-YPMHNXCESA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@@H](C)[C@H](CC1(C)CCC1)[NH2+]C ZINC000308584698 573469489 /nfs/dbraw/zinc/46/94/89/573469489.db2.gz RFYLTHKWTAEZLK-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@@H](CC1(C)CCC1)[NH2+]C ZINC000308584699 573469018 /nfs/dbraw/zinc/46/90/18/573469018.db2.gz RFYLTHKWTAEZLK-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@H](CC1(C)CCC1)[NH2+]C ZINC000308584700 573472778 /nfs/dbraw/zinc/47/27/78/573472778.db2.gz RFYLTHKWTAEZLK-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H](C)[C@@H](CC1(C)CCC1)[NH2+]C ZINC000308584701 573468922 /nfs/dbraw/zinc/46/89/22/573468922.db2.gz RFYLTHKWTAEZLK-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@H](CC1(C)CCC1)C(C)C ZINC000308586414 573445130 /nfs/dbraw/zinc/44/51/30/573445130.db2.gz SELYTRKKXNXMHS-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](CC1(C)CCC1)C(C)C ZINC000308586415 573445817 /nfs/dbraw/zinc/44/58/17/573445817.db2.gz SELYTRKKXNXMHS-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](CC1(CC)CCC1)[NH2+]CC ZINC000308587322 573444907 /nfs/dbraw/zinc/44/49/07/573444907.db2.gz STCVJARAVNSRTC-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](C)[NH2+]CC1(CC(C)C)CC1 ZINC000308588896 573450641 /nfs/dbraw/zinc/45/06/41/573450641.db2.gz JKUPVKXORILEGN-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[NH2+]CC1(CC(C)C)CC1 ZINC000308588897 573449997 /nfs/dbraw/zinc/44/99/97/573449997.db2.gz JKUPVKXORILEGN-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO C/C=C/CC[NH2+][C@H](C)[C@@H](C)CCCC ZINC000308590384 573456143 /nfs/dbraw/zinc/45/61/43/573456143.db2.gz KBLBITRDALFXDY-JHSWMASBSA-N 1 0 197.366 3.757 10 0 AHAERO C/C=C/CC[NH2+][C@H](C)[C@H](C)CCCC ZINC000308590391 573456114 /nfs/dbraw/zinc/45/61/14/573456114.db2.gz KBLBITRDALFXDY-MVTQWGDUSA-N 1 0 197.366 3.757 10 0 AHAERO C/C=C\CC[NH2+][C@H](C)[C@@H](C)CCCC ZINC000308590404 573452910 /nfs/dbraw/zinc/45/29/10/573452910.db2.gz KBLBITRDALFXDY-XEBOPQQMSA-N 1 0 197.366 3.757 10 0 AHAERO CC(C)[C@H](C)C[NH2+]C[C@H](C)C(C)(C)C ZINC000308590694 573455023 /nfs/dbraw/zinc/45/50/23/573455023.db2.gz OOIMEPYSDUSKDF-NEPJUHHUSA-N 1 0 199.382 3.550 10 0 AHAERO CC(C)[C@@H](C)C[NH2+]C[C@@H](C)C(C)(C)C ZINC000308590696 573453011 /nfs/dbraw/zinc/45/30/11/573453011.db2.gz OOIMEPYSDUSKDF-NWDGAFQWSA-N 1 0 199.382 3.550 10 0 AHAERO CC(C)[C@@H](C)C[NH2+]C[C@H](C)C(C)(C)C ZINC000308590698 573455867 /nfs/dbraw/zinc/45/58/67/573455867.db2.gz OOIMEPYSDUSKDF-RYUDHWBXSA-N 1 0 199.382 3.550 10 0 AHAERO CC(C)[C@H](C)C[NH2+]C[C@@H](C)C(C)(C)C ZINC000308590701 573455073 /nfs/dbraw/zinc/45/50/73/573455073.db2.gz OOIMEPYSDUSKDF-VXGBXAGGSA-N 1 0 199.382 3.550 10 0 AHAERO CCCC[C@H](CC1(CC)CCC1)[NH2+]C ZINC000308591645 573453232 /nfs/dbraw/zinc/45/32/32/573453232.db2.gz VTQZZKADTSZZHW-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC[C@@H](CC1(CC)CCC1)[NH2+]C ZINC000308591646 573453981 /nfs/dbraw/zinc/45/39/81/573453981.db2.gz VTQZZKADTSZZHW-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CC/C=C/CC[NH2+][C@@H](CC)C(C)(C)C ZINC000308593379 573490268 /nfs/dbraw/zinc/49/02/68/573490268.db2.gz LGBQYVYIKIZJFR-BCPZQOPPSA-N 1 0 197.366 3.757 10 0 AHAERO CC/C=C/CC[NH2+][C@H](CC)C(C)(C)C ZINC000308593380 573489589 /nfs/dbraw/zinc/48/95/89/573489589.db2.gz LGBQYVYIKIZJFR-IDVQTMNDSA-N 1 0 197.366 3.757 10 0 AHAERO CC/C=C\CC[NH2+][C@H](CC)C(C)(C)C ZINC000308593381 573490979 /nfs/dbraw/zinc/49/09/79/573490979.db2.gz LGBQYVYIKIZJFR-JLVNDZCYSA-N 1 0 197.366 3.757 10 0 AHAERO CC/C=C\CC[NH2+][C@@H](CC)C(C)(C)C ZINC000308593382 573490778 /nfs/dbraw/zinc/49/07/78/573490778.db2.gz LGBQYVYIKIZJFR-LAUAKBEESA-N 1 0 197.366 3.757 10 0 AHAERO CCC(C)(C)CC[NH2+]C(C)(C)C1CC1 ZINC000308593528 573487412 /nfs/dbraw/zinc/48/74/12/573487412.db2.gz LHVLHDRNUYCLSD-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO C/C=C\C[NH2+]C(C)(C)C1CCCCC1 ZINC000308594143 573473999 /nfs/dbraw/zinc/47/39/99/573473999.db2.gz LQIFYWCCIWYQPK-PLNGDYQASA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C/C[NH2+]C(C)(C)C1CCCCC1 ZINC000308594144 573476818 /nfs/dbraw/zinc/47/68/18/573476818.db2.gz LQIFYWCCIWYQPK-SNAWJCMRSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H]([NH2+][C@@H](C)CCC1CC1)C(C)C ZINC000308594687 491113439 /nfs/dbraw/zinc/11/34/39/491113439.db2.gz LZHVMNKYHRTJSY-AAEUAGOBSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+][C@H](C)CCC1CC1)C(C)C ZINC000308594688 491113512 /nfs/dbraw/zinc/11/35/12/491113512.db2.gz LZHVMNKYHRTJSY-DGCLKSJQSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+][C@@H](C)CCC1CC1)C(C)C ZINC000308594689 491113573 /nfs/dbraw/zinc/11/35/73/491113573.db2.gz LZHVMNKYHRTJSY-WCQYABFASA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]([NH2+][C@H](C)CCC1CC1)C(C)C ZINC000308594690 491113423 /nfs/dbraw/zinc/11/34/23/491113423.db2.gz LZHVMNKYHRTJSY-YPMHNXCESA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+]C1CC(C)(C)C1)C(C)(C)C ZINC000308596688 491113725 /nfs/dbraw/zinc/11/37/25/491113725.db2.gz MVSMZOBNGZKZEK-LLVKDONJSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]([NH2+]C1CC(C)(C)C1)C(C)(C)C ZINC000308596690 491113610 /nfs/dbraw/zinc/11/36/10/491113610.db2.gz MVSMZOBNGZKZEK-NSHDSACASA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]([NH3+])CC1CCC(C(C)C)CC1 ZINC000308596946 573481112 /nfs/dbraw/zinc/48/11/12/573481112.db2.gz SGIGISAUOHTVGE-BPCQOVAHSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H]([NH3+])CC1CCC(C(C)C)CC1 ZINC000308596947 573478678 /nfs/dbraw/zinc/47/86/78/573478678.db2.gz SGIGISAUOHTVGE-WXRRBKDZSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)(C)C(C)(C)[NH2+]CC1(C)CCC1 ZINC000308602223 573508848 /nfs/dbraw/zinc/50/88/48/573508848.db2.gz FEBOPQYUTVNBCE-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+]CC/C=C/CC1(CC)CCC1 ZINC000308607180 573522031 /nfs/dbraw/zinc/52/20/31/573522031.db2.gz IWTWKNTZYLMCKE-AATRIKPKSA-N 1 0 195.350 3.513 10 0 AHAERO CC[NH2+]CC/C=C\CC1(CC)CCC1 ZINC000308607181 573521572 /nfs/dbraw/zinc/52/15/72/573521572.db2.gz IWTWKNTZYLMCKE-WAYWQWQTSA-N 1 0 195.350 3.513 10 0 AHAERO CCCCCC[C@@H]([NH3+])CC1(C)CCC1 ZINC000308607334 573526977 /nfs/dbraw/zinc/52/69/77/573526977.db2.gz JHFXCICBMMEBEV-GFCCVEGCSA-N 1 0 197.366 3.864 10 0 AHAERO CCCCCC[C@H]([NH3+])CC1(C)CCC1 ZINC000308607335 573500072 /nfs/dbraw/zinc/50/00/72/573500072.db2.gz JHFXCICBMMEBEV-LBPRGKRZSA-N 1 0 197.366 3.864 10 0 AHAERO CC[C@@H](C)C[C@@H](CC1(C)CCC1)[NH2+]C ZINC000308607392 573498735 /nfs/dbraw/zinc/49/87/35/573498735.db2.gz JNQJNQUGGMVDFD-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@H](CC1(C)CCC1)[NH2+]C ZINC000308607396 573499634 /nfs/dbraw/zinc/49/96/34/573499634.db2.gz JNQJNQUGGMVDFD-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[C@@H](CC1(C)CCC1)[NH2+]C ZINC000308607402 573497162 /nfs/dbraw/zinc/49/71/62/573497162.db2.gz JNQJNQUGGMVDFD-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[C@H](CC1(C)CCC1)[NH2+]C ZINC000308607406 573499096 /nfs/dbraw/zinc/49/90/96/573499096.db2.gz JNQJNQUGGMVDFD-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCC1(C[C@H]([NH3+])[C@H](C)C(C)C)CCC1 ZINC000308610464 573509907 /nfs/dbraw/zinc/50/99/07/573509907.db2.gz LYCFLIUFYKKYGD-NEPJUHHUSA-N 1 0 197.366 3.576 10 0 AHAERO CCC1(C[C@@H]([NH3+])[C@@H](C)C(C)C)CCC1 ZINC000308610467 573510356 /nfs/dbraw/zinc/51/03/56/573510356.db2.gz LYCFLIUFYKKYGD-NWDGAFQWSA-N 1 0 197.366 3.576 10 0 AHAERO CCC1(C[C@H]([NH3+])[C@@H](C)C(C)C)CCC1 ZINC000308610471 573511440 /nfs/dbraw/zinc/51/14/40/573511440.db2.gz LYCFLIUFYKKYGD-RYUDHWBXSA-N 1 0 197.366 3.576 10 0 AHAERO CCC1(C[C@@H]([NH3+])[C@H](C)C(C)C)CCC1 ZINC000308610474 573512141 /nfs/dbraw/zinc/51/21/41/573512141.db2.gz LYCFLIUFYKKYGD-VXGBXAGGSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H](/C=C/C[NH2+]C(C)(C)C)C(C)(C)C ZINC000308612683 573525103 /nfs/dbraw/zinc/52/51/03/573525103.db2.gz YXPILEQVGMUZHM-ANYFNZRUSA-N 1 0 197.366 3.613 10 0 AHAERO C[C@@H](/C=C/C[NH2+]C(C)(C)C)C(C)(C)C ZINC000308612684 573526925 /nfs/dbraw/zinc/52/69/25/573526925.db2.gz YXPILEQVGMUZHM-FBOQAHMBSA-N 1 0 197.366 3.613 10 0 AHAERO C[C@@H](/C=C\C[NH2+]C(C)(C)C)C(C)(C)C ZINC000308612685 573525294 /nfs/dbraw/zinc/52/52/94/573525294.db2.gz YXPILEQVGMUZHM-IQQGHNRFSA-N 1 0 197.366 3.613 10 0 AHAERO C[C@H](/C=C\C[NH2+]C(C)(C)C)C(C)(C)C ZINC000308612686 573522428 /nfs/dbraw/zinc/52/24/28/573522428.db2.gz YXPILEQVGMUZHM-TYBABMIJSA-N 1 0 197.366 3.613 10 0 AHAERO CCC1(C[C@H](C)CCCC[NH3+])CCC1 ZINC000308613272 573525472 /nfs/dbraw/zinc/52/54/72/573525472.db2.gz OMOFYIJMQXDCKQ-GFCCVEGCSA-N 1 0 197.366 3.722 10 0 AHAERO CCC1(C[C@@H](C)CCCC[NH3+])CCC1 ZINC000308613278 573525858 /nfs/dbraw/zinc/52/58/58/573525858.db2.gz OMOFYIJMQXDCKQ-LBPRGKRZSA-N 1 0 197.366 3.722 10 0 AHAERO CC(C)C[C@@H](C)[NH2+]C(C)(C)C(C)(C)C ZINC000308613452 573525417 /nfs/dbraw/zinc/52/54/17/573525417.db2.gz ORRWOJRKOVHYNX-LLVKDONJSA-N 1 0 199.382 3.835 10 0 AHAERO CCCCC[C@H](CC1(C)CCC1)[NH2+]C ZINC000308614971 573538018 /nfs/dbraw/zinc/53/80/18/573538018.db2.gz PTBOJZWQWGLMGT-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@@H](CC1(C)CCC1)[NH2+]C ZINC000308614973 573542040 /nfs/dbraw/zinc/54/20/40/573542040.db2.gz PTBOJZWQWGLMGT-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H](C)[C@@H](C)C[C@@H]1CCCC[NH2+]1 ZINC000308615496 573542843 /nfs/dbraw/zinc/54/28/43/573542843.db2.gz ZXRIVVJARFWAIK-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@@H](C)C[C@H]1CCCC[NH2+]1 ZINC000308615498 573538691 /nfs/dbraw/zinc/53/86/91/573538691.db2.gz ZXRIVVJARFWAIK-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@H](C)C[C@@H]1CCCC[NH2+]1 ZINC000308615501 573539351 /nfs/dbraw/zinc/53/93/51/573539351.db2.gz ZXRIVVJARFWAIK-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H](C)[C@H](C)C[C@H]1CCCC[NH2+]1 ZINC000308615503 573540956 /nfs/dbraw/zinc/54/09/56/573540956.db2.gz ZXRIVVJARFWAIK-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO C/C=C\CC[NH2+][C@@H]1CCC[C@@H]1CCC ZINC000308618373 573539636 /nfs/dbraw/zinc/53/96/36/573539636.db2.gz SHQSFDAAKQQAOU-QMVVBGKPSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C\CC[NH2+][C@@H]1CCC[C@H]1CCC ZINC000308618374 573541056 /nfs/dbraw/zinc/54/10/56/573541056.db2.gz SHQSFDAAKQQAOU-UNIPXTFRSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C/CC[NH2+][C@@H]1CCC[C@H]1CCC ZINC000308618375 573539861 /nfs/dbraw/zinc/53/98/61/573539861.db2.gz SHQSFDAAKQQAOU-UXOHQCDBSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C/CC[NH2+][C@@H]1CCC[C@@H]1CCC ZINC000308618376 573542091 /nfs/dbraw/zinc/54/20/91/573542091.db2.gz SHQSFDAAKQQAOU-ZTGIWPAFSA-N 1 0 195.350 3.511 10 0 AHAERO CC[NH2+]CC/C=C(/C)CC1(C)CCC1 ZINC000308618585 573542466 /nfs/dbraw/zinc/54/24/66/573542466.db2.gz SUNZNWZUZUMAEX-GHXNOFRVSA-N 1 0 195.350 3.513 10 0 AHAERO CC[NH2+]CC/C=C(\C)CC1(C)CCC1 ZINC000308618587 573539286 /nfs/dbraw/zinc/53/92/86/573539286.db2.gz SUNZNWZUZUMAEX-KPKJPENVSA-N 1 0 195.350 3.513 10 0 AHAERO CCC(CC)[C@@H](CC1(C)CCC1)[NH2+]C ZINC000308623655 573569050 /nfs/dbraw/zinc/56/90/50/573569050.db2.gz YJEQYDYMFBIZFA-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@H](CC1(C)CCC1)[NH2+]C ZINC000308623661 573567649 /nfs/dbraw/zinc/56/76/49/573567649.db2.gz YJEQYDYMFBIZFA-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO C/C=C\C[NH2+][C@@H]1CCCC[C@@H]1CCC ZINC000308624071 491114889 /nfs/dbraw/zinc/11/48/89/491114889.db2.gz VFZZHVXMGRBSRU-QMVVBGKPSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C\C[NH2+][C@@H]1CCCC[C@H]1CCC ZINC000308624072 491114800 /nfs/dbraw/zinc/11/48/00/491114800.db2.gz VFZZHVXMGRBSRU-UNIPXTFRSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C/C[NH2+][C@@H]1CCCC[C@H]1CCC ZINC000308624073 491114786 /nfs/dbraw/zinc/11/47/86/491114786.db2.gz VFZZHVXMGRBSRU-UXOHQCDBSA-N 1 0 195.350 3.511 10 0 AHAERO C/C=C/C[NH2+][C@@H]1CCCC[C@@H]1CCC ZINC000308624074 491114873 /nfs/dbraw/zinc/11/48/73/491114873.db2.gz VFZZHVXMGRBSRU-ZTGIWPAFSA-N 1 0 195.350 3.511 10 0 AHAERO CCC1(C[C@H]([NH3+])CC(C)(C)C)CCC1 ZINC000308624286 573568828 /nfs/dbraw/zinc/56/88/28/573568828.db2.gz YWSYZPSBKNPRSI-LLVKDONJSA-N 1 0 197.366 3.720 10 0 AHAERO CCC1(C[C@@H]([NH3+])CC(C)(C)C)CCC1 ZINC000308624287 573570243 /nfs/dbraw/zinc/57/02/43/573570243.db2.gz YWSYZPSBKNPRSI-NSHDSACASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[NH2+][C@@H](CC)CC1(CC)CCC1 ZINC000308624317 573568681 /nfs/dbraw/zinc/56/86/81/573568681.db2.gz YZSYMQXUHHNRBM-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@H](CC(C)C)C1(CC)CC1 ZINC000308626254 573544595 /nfs/dbraw/zinc/54/45/95/573544595.db2.gz WMXINDWJOPMUJM-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H](C(C)C)C1(CCC)CC1 ZINC000308627594 573547672 /nfs/dbraw/zinc/54/76/72/573547672.db2.gz XHLDNXBFKBPOKI-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)C ZINC000308631565 491115188 /nfs/dbraw/zinc/11/51/88/491115188.db2.gz ZEKISPAHGXGIRV-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)C ZINC000308631567 491115236 /nfs/dbraw/zinc/11/52/36/491115236.db2.gz ZEKISPAHGXGIRV-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)C ZINC000308631569 491115222 /nfs/dbraw/zinc/11/52/22/491115222.db2.gz ZEKISPAHGXGIRV-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)C ZINC000308631571 491115258 /nfs/dbraw/zinc/11/52/58/491115258.db2.gz ZEKISPAHGXGIRV-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[NH2+]C(C)(C)C1CCCCC1 ZINC000308632700 573593404 /nfs/dbraw/zinc/59/34/04/573593404.db2.gz ZQOFZSVHPCIFSU-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CC[C@@H]1CC[C@@H]([NH2+]CCC=C(C)C)C1 ZINC000308632709 573593055 /nfs/dbraw/zinc/59/30/55/573593055.db2.gz ZQURESBVMJMECA-CHWSQXEVSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@@H]1CC[C@H]([NH2+]CCC=C(C)C)C1 ZINC000308632710 573593190 /nfs/dbraw/zinc/59/31/90/573593190.db2.gz ZQURESBVMJMECA-OLZOCXBDSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H]1CC[C@@H]([NH2+]CCC=C(C)C)C1 ZINC000308632711 573594337 /nfs/dbraw/zinc/59/43/37/573594337.db2.gz ZQURESBVMJMECA-QWHCGFSZSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H]1CC[C@H]([NH2+]CCC=C(C)C)C1 ZINC000308632712 573595401 /nfs/dbraw/zinc/59/54/01/573595401.db2.gz ZQURESBVMJMECA-STQMWFEESA-N 1 0 195.350 3.511 10 0 AHAERO CCCC[C@H](C)N(C)C(=[NH2+])C(C)(C)C ZINC000308634136 573571679 /nfs/dbraw/zinc/57/16/79/573571679.db2.gz AICDOKFXRHPNSC-JTQLQIEISA-N 1 0 198.354 3.520 10 0 AHAERO CC(C)[C@](C)(C[NH3+])CC1(C)CCCC1 ZINC000308634337 573572193 /nfs/dbraw/zinc/57/21/93/573572193.db2.gz ALWRFQLPILSPFQ-ZDUSSCGKSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@@H]([NH3+])CC(C)(C)CC1(C)CCCC1 ZINC000308636408 573577465 /nfs/dbraw/zinc/57/74/65/573577465.db2.gz BCFRHXAPADLFBX-LLVKDONJSA-N 1 0 197.366 3.720 10 0 AHAERO CC(CCCC[NH3+])=C1CCCCCC1 ZINC000308636430 573577058 /nfs/dbraw/zinc/57/70/58/573577058.db2.gz BCQHXHAWJXKYHF-UHFFFAOYSA-N 1 0 195.350 3.786 10 0 AHAERO CC(C)[C@@H](C)[NH2+]CCC1(C)CCCC1 ZINC000308637894 573583689 /nfs/dbraw/zinc/58/36/89/573583689.db2.gz BRHTYUQTOUGKFR-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[C@H](C)[NH2+]CCC1(C)CCCC1 ZINC000308637895 573584894 /nfs/dbraw/zinc/58/48/94/573584894.db2.gz BRHTYUQTOUGKFR-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)C[C@H]([NH3+])CC1(C)CCCC1 ZINC000308640036 573589955 /nfs/dbraw/zinc/58/99/55/573589955.db2.gz CRDLDFXAYBHVJT-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@@H]([NH3+])CC1(C)CCCC1 ZINC000308640037 573588840 /nfs/dbraw/zinc/58/88/40/573588840.db2.gz CRDLDFXAYBHVJT-NWDGAFQWSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])CC1(C)CCCC1 ZINC000308640038 573588873 /nfs/dbraw/zinc/58/88/73/573588873.db2.gz CRDLDFXAYBHVJT-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)C[C@@H]([NH3+])CC1(C)CCCC1 ZINC000308640039 573588330 /nfs/dbraw/zinc/58/83/30/573588330.db2.gz CRDLDFXAYBHVJT-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO C/C(CCCC[NH3+])=C1/CCC[C@@H](C)C1 ZINC000308641523 573616859 /nfs/dbraw/zinc/61/68/59/573616859.db2.gz DHBHVYXAHFALJM-GXZRWPEMSA-N 1 0 195.350 3.642 10 0 AHAERO C/C(CCCC[NH3+])=C1\CCC[C@H](C)C1 ZINC000308641524 573614161 /nfs/dbraw/zinc/61/41/61/573614161.db2.gz DHBHVYXAHFALJM-IBPBOOLHSA-N 1 0 195.350 3.642 10 0 AHAERO C/C(CCCC[NH3+])=C1\CCC[C@@H](C)C1 ZINC000308641525 573617299 /nfs/dbraw/zinc/61/72/99/573617299.db2.gz DHBHVYXAHFALJM-LPJIALBHSA-N 1 0 195.350 3.642 10 0 AHAERO C/C(CCCC[NH3+])=C1/CCC[C@H](C)C1 ZINC000308641526 573617159 /nfs/dbraw/zinc/61/71/59/573617159.db2.gz DHBHVYXAHFALJM-UMAGAQSHSA-N 1 0 195.350 3.642 10 0 AHAERO CC(C)C[C@@H](C[NH3+])CC1(C)CCCC1 ZINC000308643067 573615355 /nfs/dbraw/zinc/61/53/55/573615355.db2.gz FBWFXKQBBUWYLS-GFCCVEGCSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)C[C@H](C[NH3+])CC1(C)CCCC1 ZINC000308643068 573614700 /nfs/dbraw/zinc/61/47/00/573614700.db2.gz FBWFXKQBBUWYLS-LBPRGKRZSA-N 1 0 197.366 3.578 10 0 AHAERO CCCCCC[C@H]1[NH2+]CC1(CC)CC ZINC000308643329 573616505 /nfs/dbraw/zinc/61/65/05/573616505.db2.gz FHBGHQQIPZUMGN-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCCC[C@@H]1[NH2+]CC1(CC)CC ZINC000308643330 573616660 /nfs/dbraw/zinc/61/66/60/573616660.db2.gz FHBGHQQIPZUMGN-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+]C[C@H](C)CC1(C)CCCC1 ZINC000308643447 573614718 /nfs/dbraw/zinc/61/47/18/573614718.db2.gz FKWSKXCUWYAALD-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C[C@@H](C)CC1(C)CCCC1 ZINC000308643448 573613656 /nfs/dbraw/zinc/61/36/56/573613656.db2.gz FKWSKXCUWYAALD-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]C[C@H](C)CCC1(C)CCCC1 ZINC000308643496 573614301 /nfs/dbraw/zinc/61/43/01/573614301.db2.gz FNDCHIOIVNYAKT-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]C[C@@H](C)CCC1(C)CCCC1 ZINC000308643497 573617737 /nfs/dbraw/zinc/61/77/37/573617737.db2.gz FNDCHIOIVNYAKT-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)C[C@H]([NH3+])CCC1(C)CCCC1 ZINC000308646849 573598518 /nfs/dbraw/zinc/59/85/18/573598518.db2.gz HTOTVWDXEQHDKH-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)C[C@@H]([NH3+])CCC1(C)CCCC1 ZINC000308646850 573597884 /nfs/dbraw/zinc/59/78/84/573597884.db2.gz HTOTVWDXEQHDKH-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)[C@H]([NH3+])CC1(C)CCCC1 ZINC000308648908 573606682 /nfs/dbraw/zinc/60/66/82/573606682.db2.gz IWBMUUSHKCAHDQ-LLVKDONJSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)[C@@H]([NH3+])CC1(C)CCCC1 ZINC000308648909 573606882 /nfs/dbraw/zinc/60/68/82/573606882.db2.gz IWBMUUSHKCAHDQ-NSHDSACASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CCCC/C1=C(/C)CCC[NH3+] ZINC000308649860 573627971 /nfs/dbraw/zinc/62/79/71/573627971.db2.gz JMINZKQZKGKTDV-OWRWYXLESA-N 1 0 195.350 3.642 10 0 AHAERO CC[C@@H]1CCCC/C1=C(/C)CCC[NH3+] ZINC000308649861 573626674 /nfs/dbraw/zinc/62/66/74/573626674.db2.gz JMINZKQZKGKTDV-RVROTUBLSA-N 1 0 195.350 3.642 10 0 AHAERO C[C@H](CCCC[NH3+])C1CCCCCC1 ZINC000308651391 573639568 /nfs/dbraw/zinc/63/95/68/573639568.db2.gz KJNGIEYIDPJFHP-GFCCVEGCSA-N 1 0 197.366 3.722 10 0 AHAERO C[C@@H](CCCC[NH3+])C1CCCCCC1 ZINC000308651392 573640039 /nfs/dbraw/zinc/64/00/39/573640039.db2.gz KJNGIEYIDPJFHP-LBPRGKRZSA-N 1 0 197.366 3.722 10 0 AHAERO C[C@@H](CCCC[NH3+])C1CCC(C)CC1 ZINC000308651767 573637437 /nfs/dbraw/zinc/63/74/37/573637437.db2.gz KPGRBSFFCNUADF-CPCZMJQVSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@H](CCCC[NH3+])C1CCC(C)CC1 ZINC000308651768 573640370 /nfs/dbraw/zinc/64/03/70/573640370.db2.gz KPGRBSFFCNUADF-OTTFEQOBSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@@H](C)[C@@H]([NH3+])CC1(C)CCCC1 ZINC000308652763 573638850 /nfs/dbraw/zinc/63/88/50/573638850.db2.gz LIGGQQZMXUJTIR-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H](C)[C@H]([NH3+])CC1(C)CCCC1 ZINC000308652766 573638889 /nfs/dbraw/zinc/63/88/89/573638889.db2.gz LIGGQQZMXUJTIR-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO CC(C)C[NH2+]CCCC1(C)CCCC1 ZINC000308653221 573647530 /nfs/dbraw/zinc/64/75/30/573647530.db2.gz LSNLUYWXCBEPPH-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO C[C@H](CC1CCCC1)[NH2+]CC(C)(C)C ZINC000308654371 573647571 /nfs/dbraw/zinc/64/75/71/573647571.db2.gz NAOGVNMFFIPRNK-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO C/C(=C/C1CCCCC1)CCCC[NH3+] ZINC000308655730 573649361 /nfs/dbraw/zinc/64/93/61/573649361.db2.gz NKXUROCAHOVRPX-QXMHVHEDSA-N 1 0 195.350 3.642 10 0 AHAERO C/C(=C\C1CCCCC1)CCCC[NH3+] ZINC000308655731 573651251 /nfs/dbraw/zinc/65/12/51/573651251.db2.gz NKXUROCAHOVRPX-VAWYXSNFSA-N 1 0 195.350 3.642 10 0 AHAERO CCC(CC)[C@H]([NH3+])CC1(C)CCCC1 ZINC000308658604 573621988 /nfs/dbraw/zinc/62/19/88/573621988.db2.gz OSAHMDNTZDZHSE-GFCCVEGCSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(CC)[C@@H]([NH3+])CC1(C)CCCC1 ZINC000308658605 573622817 /nfs/dbraw/zinc/62/28/17/573622817.db2.gz OSAHMDNTZDZHSE-LBPRGKRZSA-N 1 0 197.366 3.720 10 0 AHAERO CC[NH2+][C@H](CC)CCC1(C)CCCC1 ZINC000308660648 573630407 /nfs/dbraw/zinc/63/04/07/573630407.db2.gz PRIGQNUDPHIXRU-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H](CC)CCC1(C)CCCC1 ZINC000308660649 573629700 /nfs/dbraw/zinc/62/97/00/573629700.db2.gz PRIGQNUDPHIXRU-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CC(C)C(C)(C)[NH2+][C@H](C)CC1CCC1 ZINC000308667724 573670984 /nfs/dbraw/zinc/67/09/84/573670984.db2.gz TZZZSMHOEIWNRE-LLVKDONJSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)C(C)(C)[NH2+][C@@H](C)CC1CCC1 ZINC000308667725 573670364 /nfs/dbraw/zinc/67/03/64/573670364.db2.gz TZZZSMHOEIWNRE-NSHDSACASA-N 1 0 197.366 3.589 10 0 AHAERO C[C@H](CCC1CC1)[NH2+][C@@H](C)C(C)(C)C ZINC000308669238 573685462 /nfs/dbraw/zinc/68/54/62/573685462.db2.gz URAGVIOUGPZUEP-MNOVXSKESA-N 1 0 197.366 3.589 10 0 AHAERO C[C@@H](CCC1CC1)[NH2+][C@@H](C)C(C)(C)C ZINC000308669245 573686846 /nfs/dbraw/zinc/68/68/46/573686846.db2.gz URAGVIOUGPZUEP-QWRGUYRKSA-N 1 0 197.366 3.589 10 0 AHAERO C[C@H](CCC1CCCC1)[NH2+]C(C)(C)C ZINC000308685215 573704105 /nfs/dbraw/zinc/70/41/05/573704105.db2.gz ZDFAUWAKXHUDLF-LLVKDONJSA-N 1 0 197.366 3.733 10 0 AHAERO C[C@@H](CCC1CCCC1)[NH2+]C(C)(C)C ZINC000308685220 573702146 /nfs/dbraw/zinc/70/21/46/573702146.db2.gz ZDFAUWAKXHUDLF-NSHDSACASA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@@H](C)C[NH2+]CCC1(C)CCCC1 ZINC000308688592 573709350 /nfs/dbraw/zinc/70/93/50/573709350.db2.gz QOQLSGWKRCFBJB-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO C[C@H](CCC[NH3+])CCC1CCCCC1 ZINC000308688599 573708944 /nfs/dbraw/zinc/70/89/44/573708944.db2.gz QPMBCKARSHCZBM-GFCCVEGCSA-N 1 0 197.366 3.722 10 0 AHAERO C[C@@H](CCC[NH3+])CCC1CCCCC1 ZINC000308688601 573704905 /nfs/dbraw/zinc/70/49/05/573704905.db2.gz QPMBCKARSHCZBM-LBPRGKRZSA-N 1 0 197.366 3.722 10 0 AHAERO CCC[C@H](CCC1(C)CCCC1)[NH2+]C ZINC000308689101 573706199 /nfs/dbraw/zinc/70/61/99/573706199.db2.gz QUQXEXBCRGFCAK-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@H](CCC1(C)CCCC1)[NH2+]C ZINC000308689106 573707563 /nfs/dbraw/zinc/70/75/63/573707563.db2.gz QUQXEXBCRGFCAK-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO C[NH2+]CC/C=C(/C)CC1(C)CCCC1 ZINC000308689536 573706104 /nfs/dbraw/zinc/70/61/04/573706104.db2.gz QXKVJVIVHFLGLR-GHXNOFRVSA-N 1 0 195.350 3.513 10 0 AHAERO C[NH2+]CC/C=C(\C)CC1(C)CCCC1 ZINC000308689539 573708151 /nfs/dbraw/zinc/70/81/51/573708151.db2.gz QXKVJVIVHFLGLR-KPKJPENVSA-N 1 0 195.350 3.513 10 0 AHAERO CC[C@H]([NH2+][C@@H]1CC=CCC1)C(C)(C)C ZINC000308690587 491117692 /nfs/dbraw/zinc/11/76/92/491117692.db2.gz IRINQLUADPOBBS-NEPJUHHUSA-N 1 0 195.350 3.509 10 0 AHAERO CC[C@@H]([NH2+][C@H]1CC=CCC1)C(C)(C)C ZINC000308690589 491117665 /nfs/dbraw/zinc/11/76/65/491117665.db2.gz IRINQLUADPOBBS-NWDGAFQWSA-N 1 0 195.350 3.509 10 0 AHAERO CCC1CCC([C@@H](C)CCC[NH3+])CC1 ZINC000308690655 573709152 /nfs/dbraw/zinc/70/91/52/573709152.db2.gz RJQQEBCRAWYJBA-HIFPTAJRSA-N 1 0 197.366 3.578 10 0 AHAERO CCC1CCC([C@H](C)CCC[NH3+])CC1 ZINC000308690656 573707262 /nfs/dbraw/zinc/70/72/62/573707262.db2.gz RJQQEBCRAWYJBA-PNESKVBLSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H]([NH2+][C@H]1CC=CCC1)C(C)(C)C ZINC000308690908 491117653 /nfs/dbraw/zinc/11/76/53/491117653.db2.gz IRINQLUADPOBBS-RYUDHWBXSA-N 1 0 195.350 3.509 10 0 AHAERO CC[C@@H]([NH2+][C@@H]1CC=CCC1)C(C)(C)C ZINC000308690911 491117564 /nfs/dbraw/zinc/11/75/64/491117564.db2.gz IRINQLUADPOBBS-VXGBXAGGSA-N 1 0 195.350 3.509 10 0 AHAERO CC[C@H](C)[C@@](C)([NH3+])CC1(C)CCCC1 ZINC000308691370 573705371 /nfs/dbraw/zinc/70/53/71/573705371.db2.gz RNOKPYUXKKIOFN-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)[C@](C)([NH3+])CC1(C)CCCC1 ZINC000308691371 573706955 /nfs/dbraw/zinc/70/69/55/573706955.db2.gz RNOKPYUXKKIOFN-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)[C@](C)([NH3+])CC1(C)CCCC1 ZINC000308691372 573707889 /nfs/dbraw/zinc/70/78/89/573707889.db2.gz RNOKPYUXKKIOFN-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H](C)[C@@](C)([NH3+])CC1(C)CCCC1 ZINC000308691373 573708576 /nfs/dbraw/zinc/70/85/76/573708576.db2.gz RNOKPYUXKKIOFN-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO C[C@H](CCCC[NH3+])CCC1CCCC1 ZINC000308693960 573737528 /nfs/dbraw/zinc/73/75/28/573737528.db2.gz SJQWFCMOCZJBJC-GFCCVEGCSA-N 1 0 197.366 3.722 10 0 AHAERO C[C@@H](CCCC[NH3+])CCC1CCCC1 ZINC000308693961 573738623 /nfs/dbraw/zinc/73/86/23/573738623.db2.gz SJQWFCMOCZJBJC-LBPRGKRZSA-N 1 0 197.366 3.722 10 0 AHAERO CC[NH2+]CC[C@H](C)CC1(C)CCCC1 ZINC000308696664 573757190 /nfs/dbraw/zinc/75/71/90/573757190.db2.gz TVFVLRUZVLFVDF-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO C/C(=C/[C@H](C)CC(C)C)CCCC[NH3+] ZINC000308696952 573757931 /nfs/dbraw/zinc/75/79/31/573757931.db2.gz TXIQWWBBOUAGLV-KXXVWKPMSA-N 1 0 197.366 3.744 10 0 AHAERO C/C(=C\[C@H](C)CC(C)C)CCCC[NH3+] ZINC000308696954 573756924 /nfs/dbraw/zinc/75/69/24/573756924.db2.gz TXIQWWBBOUAGLV-RSKUSDAESA-N 1 0 197.366 3.744 10 0 AHAERO C/C(=C/[C@@H](C)CC(C)C)CCCC[NH3+] ZINC000308696957 573757363 /nfs/dbraw/zinc/75/73/63/573757363.db2.gz TXIQWWBBOUAGLV-UKVQZPPCSA-N 1 0 197.366 3.744 10 0 AHAERO C/C(=C\[C@@H](C)CC(C)C)CCCC[NH3+] ZINC000308696958 573755871 /nfs/dbraw/zinc/75/58/71/573755871.db2.gz TXIQWWBBOUAGLV-XSNHNAGMSA-N 1 0 197.366 3.744 10 0 AHAERO CC(C)[C@@H](CC1(C)CCCC1)[C@H](C)[NH3+] ZINC000308698849 573742967 /nfs/dbraw/zinc/74/29/67/573742967.db2.gz ULIHJROSMRLLNM-NWDGAFQWSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@H](CC1(C)CCCC1)[C@H](C)[NH3+] ZINC000308698850 573742654 /nfs/dbraw/zinc/74/26/54/573742654.db2.gz ULIHJROSMRLLNM-RYUDHWBXSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@@H](CC1(C)CCCC1)[C@@H](C)[NH3+] ZINC000308698851 573741812 /nfs/dbraw/zinc/74/18/12/573741812.db2.gz ULIHJROSMRLLNM-VXGBXAGGSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)=CC[NH2+]CCC1(C)CCCC1 ZINC000308699804 573745965 /nfs/dbraw/zinc/74/59/65/573745965.db2.gz UQNAHIKRAKMAAC-UHFFFAOYSA-N 1 0 195.350 3.513 10 0 AHAERO C[C@H](CCCC[NH3+])CCCC(C)(C)C ZINC000308701387 573748080 /nfs/dbraw/zinc/74/80/80/573748080.db2.gz VBXYEXACDCSJKE-GFCCVEGCSA-N 1 0 199.382 3.968 10 0 AHAERO C[C@@H](CCCC[NH3+])CCCC(C)(C)C ZINC000308701389 573747551 /nfs/dbraw/zinc/74/75/51/573747551.db2.gz VBXYEXACDCSJKE-LBPRGKRZSA-N 1 0 199.382 3.968 10 0 AHAERO CC[C@@H]([NH2+]C(C)(C)C)C1CCCCC1 ZINC000308701712 573748731 /nfs/dbraw/zinc/74/87/31/573748731.db2.gz ZPELXIBANIFMOJ-GFCCVEGCSA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@H]([NH2+]C(C)(C)C)C1CCCCC1 ZINC000308701713 573748199 /nfs/dbraw/zinc/74/81/99/573748199.db2.gz ZPELXIBANIFMOJ-LBPRGKRZSA-N 1 0 197.366 3.733 10 0 AHAERO CCCCC[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000308702624 573745703 /nfs/dbraw/zinc/74/57/03/573745703.db2.gz BFHMNBSJEIOVPQ-OLZOCXBDSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000308702625 573744480 /nfs/dbraw/zinc/74/44/80/573744480.db2.gz BFHMNBSJEIOVPQ-QWHCGFSZSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000308702626 573748379 /nfs/dbraw/zinc/74/83/79/573748379.db2.gz BFHMNBSJEIOVPQ-STQMWFEESA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+][C@@H](C)[C@H](C)CC1(C)CCCC1 ZINC000308703926 573752540 /nfs/dbraw/zinc/75/25/40/573752540.db2.gz VYYAXNNPSQVEKZ-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)[C@@H](C)CC1(C)CCCC1 ZINC000308703930 573753432 /nfs/dbraw/zinc/75/34/32/573753432.db2.gz VYYAXNNPSQVEKZ-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C)[C@@H](C)CC1(C)CCCC1 ZINC000308703934 573751127 /nfs/dbraw/zinc/75/11/27/573751127.db2.gz VYYAXNNPSQVEKZ-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H](C)[C@H](C)CC1(C)CCCC1 ZINC000308703936 573751802 /nfs/dbraw/zinc/75/18/02/573751802.db2.gz VYYAXNNPSQVEKZ-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC(CCCC[NH3+])=C1CCC(C)CC1 ZINC000308704846 573749778 /nfs/dbraw/zinc/74/97/78/573749778.db2.gz WKFQCBNUEWSHIU-UHFFFAOYSA-N 1 0 195.350 3.642 10 0 AHAERO CC(C)[C@H](C)[C@H]([NH3+])CC1(C)CCCC1 ZINC000308704945 573750228 /nfs/dbraw/zinc/75/02/28/573750228.db2.gz WMQWEXJELUEXHE-NWDGAFQWSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@H](C)[C@@H]([NH3+])CC1(C)CCCC1 ZINC000308704948 573754391 /nfs/dbraw/zinc/75/43/91/573754391.db2.gz WMQWEXJELUEXHE-RYUDHWBXSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)[C@@H](C)[C@H]([NH3+])CC1(C)CCCC1 ZINC000308704952 573753061 /nfs/dbraw/zinc/75/30/61/573753061.db2.gz WMQWEXJELUEXHE-VXGBXAGGSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[NH2+][C@]1(C)CCCC[C@H]1C ZINC000308707817 573749798 /nfs/dbraw/zinc/74/97/98/573749798.db2.gz KLYNMMNBEYUMOE-CHWSQXEVSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000308707819 573749648 /nfs/dbraw/zinc/74/96/48/573749648.db2.gz KLYNMMNBEYUMOE-QWHCGFSZSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)CC[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000308707821 573752943 /nfs/dbraw/zinc/75/29/43/573752943.db2.gz KLYNMMNBEYUMOE-STQMWFEESA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](C)C[C@@H](C)CC1(C)CCCC1 ZINC000308709658 573765591 /nfs/dbraw/zinc/76/55/91/573765591.db2.gz YAXIVVVQUMPYKX-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)C[C@H](C)CC1(C)CCCC1 ZINC000308709661 573762241 /nfs/dbraw/zinc/76/22/41/573762241.db2.gz YAXIVVVQUMPYKX-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@@H](C)C[C@H](C)CC1(C)CCCC1 ZINC000308709665 573762926 /nfs/dbraw/zinc/76/29/26/573762926.db2.gz YAXIVVVQUMPYKX-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](C)C[C@@H](C)CC1(C)CCCC1 ZINC000308709667 573761697 /nfs/dbraw/zinc/76/16/97/573761697.db2.gz YAXIVVVQUMPYKX-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+]CCC(C)(C)CC1(C)CCCC1 ZINC000308711731 573766879 /nfs/dbraw/zinc/76/68/79/573766879.db2.gz ZEAGHXYWXNPRIP-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC(C)(C)[C@@H](C[NH3+])CC1(C)CCCC1 ZINC000308712561 573769190 /nfs/dbraw/zinc/76/91/90/573769190.db2.gz ZOKVAUCXELZLAQ-LLVKDONJSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@@H](C)[C@@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308713939 573770374 /nfs/dbraw/zinc/77/03/74/573770374.db2.gz AHWCENGBPIMVAT-GHMZBOCLSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@@H](C)[C@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308713951 573768138 /nfs/dbraw/zinc/76/81/38/573768138.db2.gz AHWCENGBPIMVAT-MNOVXSKESA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](C)[C@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308713960 573769141 /nfs/dbraw/zinc/76/91/41/573769141.db2.gz AHWCENGBPIMVAT-QWRGUYRKSA-N 1 0 199.382 3.822 10 0 AHAERO CCC[C@H](C)[C@@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308713970 573770858 /nfs/dbraw/zinc/77/08/58/573770858.db2.gz AHWCENGBPIMVAT-WDEREUQCSA-N 1 0 199.382 3.822 10 0 AHAERO CCCC(C)(C)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000308714132 573776151 /nfs/dbraw/zinc/77/61/51/573776151.db2.gz ALLHUKLSRHJIPF-NEPJUHHUSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC(C)(C)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000308714139 573772472 /nfs/dbraw/zinc/77/24/72/573772472.db2.gz ALLHUKLSRHJIPF-NWDGAFQWSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC(C)(C)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000308714146 573772126 /nfs/dbraw/zinc/77/21/26/573772126.db2.gz ALLHUKLSRHJIPF-RYUDHWBXSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC(C)(C)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000308714154 573773396 /nfs/dbraw/zinc/77/33/96/573773396.db2.gz ALLHUKLSRHJIPF-VXGBXAGGSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[C@@H]1CC ZINC000308714630 573772478 /nfs/dbraw/zinc/77/24/78/573772478.db2.gz ASGQOUUIWYUTJJ-CYDGBPFRSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[C@H]1CC ZINC000308714634 573775603 /nfs/dbraw/zinc/77/56/03/573775603.db2.gz ASGQOUUIWYUTJJ-QNWHQSFQSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[C@H]1CC ZINC000308714638 573772335 /nfs/dbraw/zinc/77/23/35/573772335.db2.gz ASGQOUUIWYUTJJ-RNJOBUHISA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[C@@H]1CC ZINC000308714641 573774379 /nfs/dbraw/zinc/77/43/79/573774379.db2.gz ASGQOUUIWYUTJJ-ZDEQEGDKSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)C1CC1 ZINC000308715277 491117832 /nfs/dbraw/zinc/11/78/32/491117832.db2.gz AYWBWYTVFVJGJC-DMDPSCGWSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)C1CC1 ZINC000308715280 491117815 /nfs/dbraw/zinc/11/78/15/491117815.db2.gz AYWBWYTVFVJGJC-GMXVVIOVSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)C1CC1 ZINC000308715286 491117781 /nfs/dbraw/zinc/11/77/81/491117781.db2.gz AYWBWYTVFVJGJC-GVXVVHGQSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)C1CC1 ZINC000308715293 491117763 /nfs/dbraw/zinc/11/77/63/491117763.db2.gz AYWBWYTVFVJGJC-LOWVWBTDSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)(C)C(C)(C)[C@@H]([NH3+])CCC1CC1 ZINC000308715319 573775691 /nfs/dbraw/zinc/77/56/91/573775691.db2.gz AZCMIZSTIULJPH-NSHDSACASA-N 1 0 197.366 3.576 10 0 AHAERO CCC/C=C/CC[NH2+][C@@H](C)C(C)(C)C ZINC000308715815 573775028 /nfs/dbraw/zinc/77/50/28/573775028.db2.gz BBZRTDGKBZZZKS-BCPZQOPPSA-N 1 0 197.366 3.757 10 0 AHAERO CCC/C=C/CC[NH2+][C@H](C)C(C)(C)C ZINC000308715816 573776290 /nfs/dbraw/zinc/77/62/90/573776290.db2.gz BBZRTDGKBZZZKS-IDVQTMNDSA-N 1 0 197.366 3.757 10 0 AHAERO CCC/C=C\CC[NH2+][C@H](C)C(C)(C)C ZINC000308715818 573775928 /nfs/dbraw/zinc/77/59/28/573775928.db2.gz BBZRTDGKBZZZKS-JLVNDZCYSA-N 1 0 197.366 3.757 10 0 AHAERO CCC/C=C\CC[NH2+]C(C)(C)C1CC1 ZINC000308716462 573774485 /nfs/dbraw/zinc/77/44/85/573774485.db2.gz BLINPMUQWKZXLN-SREVYHEPSA-N 1 0 195.350 3.511 10 0 AHAERO CCC/C=C/CC[NH2+]C(C)(C)C1CC1 ZINC000308716463 573773634 /nfs/dbraw/zinc/77/36/34/573773634.db2.gz BLINPMUQWKZXLN-VOTSOKGWSA-N 1 0 195.350 3.511 10 0 AHAERO CCC(CC)[C@@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308717587 573774388 /nfs/dbraw/zinc/77/43/88/573774388.db2.gz BWFKQGOLWLFNJZ-LLVKDONJSA-N 1 0 199.382 3.822 10 0 AHAERO CCC(CC)[C@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308717588 573776262 /nfs/dbraw/zinc/77/62/62/573776262.db2.gz BWFKQGOLWLFNJZ-NSHDSACASA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@@H](C)C[C@@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308721002 573789287 /nfs/dbraw/zinc/78/92/87/573789287.db2.gz DCDJETCHRUZURN-GHMZBOCLSA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@@H](C)C[C@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308721003 573791974 /nfs/dbraw/zinc/79/19/74/573791974.db2.gz DCDJETCHRUZURN-MNOVXSKESA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@H](C)C[C@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308721004 573791611 /nfs/dbraw/zinc/79/16/11/573791611.db2.gz DCDJETCHRUZURN-QWRGUYRKSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)CC[C@@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308724758 573787965 /nfs/dbraw/zinc/78/79/65/573787965.db2.gz FZKOOGIZEQMKLS-LLVKDONJSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)CC[C@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308724759 573789158 /nfs/dbraw/zinc/78/91/58/573789158.db2.gz FZKOOGIZEQMKLS-NSHDSACASA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)(C)C(C)(C)[C@H]([NH3+])CC1CCC1 ZINC000308724775 573790815 /nfs/dbraw/zinc/79/08/15/573790815.db2.gz GARLMIIQLAFKSL-LLVKDONJSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)(C)C(C)(C)[C@@H]([NH3+])CC1CCC1 ZINC000308724776 573789028 /nfs/dbraw/zinc/78/90/28/573789028.db2.gz GARLMIIQLAFKSL-NSHDSACASA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)[C@@H]1CC[C@@H]([NH2+]C(C)(C)C)C1 ZINC000308728207 573794753 /nfs/dbraw/zinc/79/47/53/573794753.db2.gz HTFVKSRRDPBFHA-QJPTWQEYSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)[C@H]1CC[C@@H]([NH2+]C(C)(C)C)C1 ZINC000308728209 573795788 /nfs/dbraw/zinc/79/57/88/573795788.db2.gz HTFVKSRRDPBFHA-SDDRHHMPSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)[C@H]1CC[C@H]([NH2+]C(C)(C)C)C1 ZINC000308728210 573795021 /nfs/dbraw/zinc/79/50/21/573795021.db2.gz HTFVKSRRDPBFHA-SRVKXCTJSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)[C@@H]1CC[C@H]([NH2+]C(C)(C)C)C1 ZINC000308728212 573796087 /nfs/dbraw/zinc/79/60/87/573796087.db2.gz HTFVKSRRDPBFHA-TUAOUCFPSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@H](CCC)[NH2+]C[C@@H]1C[C@H]1C ZINC000308730927 573794833 /nfs/dbraw/zinc/79/48/33/573794833.db2.gz JISMWENITZVVSI-AGIUHOORSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](CCC)[NH2+]C[C@@H]1C[C@@H]1C ZINC000308730928 573795529 /nfs/dbraw/zinc/79/55/29/573795529.db2.gz JISMWENITZVVSI-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](CCC)[NH2+]C[C@H]1C[C@H]1C ZINC000308730929 573794576 /nfs/dbraw/zinc/79/45/76/573794576.db2.gz JISMWENITZVVSI-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CCCC[C@H](CCC)[NH2+]C[C@H]1C[C@@H]1C ZINC000308730930 573796383 /nfs/dbraw/zinc/79/63/83/573796383.db2.gz JISMWENITZVVSI-XQQFMLRXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)(CC)[NH2+][C@H](C)C1CCC1 ZINC000308731848 573800600 /nfs/dbraw/zinc/80/06/00/573800600.db2.gz JVMNMRKFSGXRRB-LLVKDONJSA-N 1 0 197.366 3.733 10 0 AHAERO CCC(CC)(CC)[NH2+][C@@H](C)C1CCC1 ZINC000308731851 573800366 /nfs/dbraw/zinc/80/03/66/573800366.db2.gz JVMNMRKFSGXRRB-NSHDSACASA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@@H]1CC[C@H]([NH2+]C(C)(C)C(C)C)C1 ZINC000308731875 573800269 /nfs/dbraw/zinc/80/02/69/573800269.db2.gz JVRIMXBPRHTSKL-NEPJUHHUSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]1CC[C@@H]([NH2+]C(C)(C)C(C)C)C1 ZINC000308731880 573799291 /nfs/dbraw/zinc/79/92/91/573799291.db2.gz JVRIMXBPRHTSKL-NWDGAFQWSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H]1CC[C@H]([NH2+]C(C)(C)C(C)C)C1 ZINC000308731883 573801053 /nfs/dbraw/zinc/80/10/53/573801053.db2.gz JVRIMXBPRHTSKL-RYUDHWBXSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]1CC[C@@H]([NH2+]C(C)(C)C(C)C)C1 ZINC000308731886 573798548 /nfs/dbraw/zinc/79/85/48/573798548.db2.gz JVRIMXBPRHTSKL-VXGBXAGGSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+]CCC1CCC1)C(C)(C)C ZINC000308735213 573776862 /nfs/dbraw/zinc/77/68/62/573776862.db2.gz KYAZXROJSVKNHE-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]([NH2+]CCC1CCC1)C(C)(C)C ZINC000308735214 573780941 /nfs/dbraw/zinc/78/09/41/573780941.db2.gz KYAZXROJSVKNHE-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C[NH2+]C1CCCCC1)C(C)C ZINC000308736394 573777030 /nfs/dbraw/zinc/77/70/30/573777030.db2.gz LQOSTDNMCLEFKV-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C[NH2+]C1CCCCC1)C(C)C ZINC000308736395 573779431 /nfs/dbraw/zinc/77/94/31/573779431.db2.gz LQOSTDNMCLEFKV-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)CC[NH2+][C@@H]1CCC1(C)C ZINC000308736417 573781182 /nfs/dbraw/zinc/78/11/82/573781182.db2.gz LRLFXMDGUVQIMI-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CCC1CC([NH2+]CCCCC(C)C)C1 ZINC000308737403 573783669 /nfs/dbraw/zinc/78/36/69/573783669.db2.gz MHAYEENWJOOWDO-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)[C@@H]([NH2+]C)C(C)(C)C(C)(C)C ZINC000308737487 573784882 /nfs/dbraw/zinc/78/48/82/573784882.db2.gz MLSUBEAUEVDHMV-GHMZBOCLSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](C)[C@H]([NH2+]C)C(C)(C)C(C)(C)C ZINC000308737488 573783894 /nfs/dbraw/zinc/78/38/94/573783894.db2.gz MLSUBEAUEVDHMV-MNOVXSKESA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)[C@H]([NH2+]C)C(C)(C)C(C)(C)C ZINC000308737490 573785255 /nfs/dbraw/zinc/78/52/55/573785255.db2.gz MLSUBEAUEVDHMV-QWRGUYRKSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](C)[C@@H]([NH2+]C)C(C)(C)C(C)(C)C ZINC000308737492 573781838 /nfs/dbraw/zinc/78/18/38/573781838.db2.gz MLSUBEAUEVDHMV-WDEREUQCSA-N 1 0 199.382 3.693 10 0 AHAERO CCC(CC)CC[NH2+][C@H](C)C1CCC1 ZINC000308739573 573784840 /nfs/dbraw/zinc/78/48/40/573784840.db2.gz NSMJUHMWNGVPRR-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)CC[NH2+][C@@H](C)C1CCC1 ZINC000308739574 573785600 /nfs/dbraw/zinc/78/56/00/573785600.db2.gz NSMJUHMWNGVPRR-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC000308740060 573785554 /nfs/dbraw/zinc/78/55/54/573785554.db2.gz OBUGSEGMQYOGSZ-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCCC(C)(C)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000308741578 573785894 /nfs/dbraw/zinc/78/58/94/573785894.db2.gz OZWIIFHNBYNVON-GHMZBOCLSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC(C)(C)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000308741579 573783219 /nfs/dbraw/zinc/78/32/19/573783219.db2.gz OZWIIFHNBYNVON-MNOVXSKESA-N 1 0 197.366 3.589 10 0 AHAERO CCCC(C)(C)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000308741580 573783593 /nfs/dbraw/zinc/78/35/93/573783593.db2.gz OZWIIFHNBYNVON-QWRGUYRKSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC(C)(C)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000308741581 573785245 /nfs/dbraw/zinc/78/52/45/573785245.db2.gz OZWIIFHNBYNVON-WDEREUQCSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)CC[NH2+][C@H](C)CC1CC1 ZINC000308742043 573782965 /nfs/dbraw/zinc/78/29/65/573782965.db2.gz PKERTJLWRXARAL-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)CC[NH2+][C@@H](C)CC1CC1 ZINC000308742044 573783815 /nfs/dbraw/zinc/78/38/15/573783815.db2.gz PKERTJLWRXARAL-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO C[NH2+][C@H](CC(C)C)C(C)(C)C(C)(C)C ZINC000308742684 573787434 /nfs/dbraw/zinc/78/74/34/573787434.db2.gz PRKZEDPRLXHPLI-LLVKDONJSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@@H](CC(C)C)C(C)(C)C(C)(C)C ZINC000308742685 573789020 /nfs/dbraw/zinc/78/90/20/573789020.db2.gz PRKZEDPRLXHPLI-NSHDSACASA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](C=C(C)C)C(C)(C)C(C)(C)C ZINC000308744166 573813431 /nfs/dbraw/zinc/81/34/31/573813431.db2.gz QIMZRKFHERWCOQ-LLVKDONJSA-N 1 0 197.366 3.613 10 0 AHAERO C[NH2+][C@@H](C=C(C)C)C(C)(C)C(C)(C)C ZINC000308744167 573816453 /nfs/dbraw/zinc/81/64/53/573816453.db2.gz QIMZRKFHERWCOQ-NSHDSACASA-N 1 0 197.366 3.613 10 0 AHAERO CCCC(C)(C)[NH2+][C@H](C)CCC1CC1 ZINC000308745083 573800560 /nfs/dbraw/zinc/80/05/60/573800560.db2.gz QWQIYMXWAPUPCB-LLVKDONJSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC(C)(C)[NH2+][C@@H](C)CCC1CC1 ZINC000308745091 573797491 /nfs/dbraw/zinc/79/74/91/573797491.db2.gz QWQIYMXWAPUPCB-NSHDSACASA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[NH2+]CC(C)(C)C1=CCCC1 ZINC000308751784 573824843 /nfs/dbraw/zinc/82/48/43/573824843.db2.gz AYCNEMAHOYCUIF-UHFFFAOYSA-N 1 0 195.350 3.513 10 0 AHAERO CCCC[C@H](CC)CC[NH2+]C1(C)CC1 ZINC000308755065 573823318 /nfs/dbraw/zinc/82/33/18/573823318.db2.gz VZUMIYUCEVZPLV-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC(CC)CC[NH2+][C@@H](CC)C1CC1 ZINC000308756934 573837327 /nfs/dbraw/zinc/83/73/27/573837327.db2.gz WTKCIQKRPXECBT-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]([NH2+]C(C)(C)C(C)C)C1CC1 ZINC000308756941 573837489 /nfs/dbraw/zinc/83/74/89/573837489.db2.gz WTUFKHWYMMHSAX-GFCCVEGCSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@H]([NH2+]C(C)(C)C(C)C)C1CC1 ZINC000308756944 573837616 /nfs/dbraw/zinc/83/76/16/573837616.db2.gz WTUFKHWYMMHSAX-LBPRGKRZSA-N 1 0 197.366 3.589 10 0 AHAERO CCC/C=C\CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000308760196 573839350 /nfs/dbraw/zinc/83/93/50/573839350.db2.gz XOUCBPKEDZBNRD-AGFGORMFSA-N 1 0 195.350 3.511 10 0 AHAERO CCC/C=C/CC[NH2+][C@@H]1CCC[C@H]1C ZINC000308760199 573843257 /nfs/dbraw/zinc/84/32/57/573843257.db2.gz XOUCBPKEDZBNRD-FBVTZJDUSA-N 1 0 195.350 3.511 10 0 AHAERO CCC/C=C/CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000308760203 573841287 /nfs/dbraw/zinc/84/12/87/573841287.db2.gz XOUCBPKEDZBNRD-JQSFKPKSSA-N 1 0 195.350 3.511 10 0 AHAERO CCC/C=C\CC[NH2+][C@@H]1CCC[C@H]1C ZINC000308760206 573841916 /nfs/dbraw/zinc/84/19/16/573841916.db2.gz XOUCBPKEDZBNRD-NTQVKLLNSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H](C)C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000308760481 573842362 /nfs/dbraw/zinc/84/23/62/573842362.db2.gz XEQWSUXNNNXTJY-AVGNSLFASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000308760483 573839301 /nfs/dbraw/zinc/83/93/01/573839301.db2.gz XEQWSUXNNNXTJY-RWMBFGLXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH2+]CCCC1CC1)C(C)(C)C ZINC000308760734 491118969 /nfs/dbraw/zinc/11/89/69/491118969.db2.gz XVBPDVIDYVLVNO-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]([NH2+]CCCC1CC1)C(C)(C)C ZINC000308760735 491118984 /nfs/dbraw/zinc/11/89/84/491118984.db2.gz XVBPDVIDYVLVNO-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)[NH2+]C(C)(C)C1CCCCC1 ZINC000308762102 573838400 /nfs/dbraw/zinc/83/84/00/573838400.db2.gz YKSBOHCNGDTOJL-LLVKDONJSA-N 1 0 197.366 3.733 10 0 AHAERO CC[C@H](C)[NH2+]C(C)(C)C1CCCCC1 ZINC000308762103 573836342 /nfs/dbraw/zinc/83/63/42/573836342.db2.gz YKSBOHCNGDTOJL-NSHDSACASA-N 1 0 197.366 3.733 10 0 AHAERO CCCC[C@@H](CCC)[NH2+]CC1(C)CC1 ZINC000308764604 573834229 /nfs/dbraw/zinc/83/42/29/573834229.db2.gz ZTIBHWQOMOCKPK-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCCC[C@@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308764616 573836617 /nfs/dbraw/zinc/83/66/17/573836617.db2.gz ZUKKPYHLUFHXIY-LLVKDONJSA-N 1 0 199.382 3.966 10 0 AHAERO CCCCC[C@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308764617 573837203 /nfs/dbraw/zinc/83/72/03/573837203.db2.gz ZUKKPYHLUFHXIY-NSHDSACASA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@H](C)C[NH2+]CCCC(C)(C)C ZINC000313265901 572873959 /nfs/dbraw/zinc/87/39/59/572873959.db2.gz HMDMHZZCMBMYGO-LBPRGKRZSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[C@H]([NH2+][C@@H](C)CC)C1CCCC1 ZINC000313386188 573477779 /nfs/dbraw/zinc/47/77/79/573477779.db2.gz AGYDQEFMZVPABP-AAEUAGOBSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@H]([NH2+][C@H](C)CC)C1CCCC1 ZINC000313386195 573475870 /nfs/dbraw/zinc/47/58/70/573475870.db2.gz AGYDQEFMZVPABP-YPMHNXCESA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@@]1(C[NH2+]C(C)C)CC=CCC1 ZINC000317233034 571976555 /nfs/dbraw/zinc/97/65/55/571976555.db2.gz MUEMJVPUPKOCCK-CYBMUJFWSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC[C@]1(C[NH2+]CC)CC=CCC1 ZINC000317418612 572753875 /nfs/dbraw/zinc/75/38/75/572753875.db2.gz FHWVJNZCOCKGDA-ZDUSSCGKSA-N 1 0 195.350 3.513 10 0 AHAERO CC(C)[NH2+]CC(C)(C)CC1(C)CCC1 ZINC000317565306 572915855 /nfs/dbraw/zinc/91/58/55/572915855.db2.gz FTCXFEJAOQIANR-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@](C)(C[NH2+]C(C)C)CC1CCC1 ZINC000317679343 573200180 /nfs/dbraw/zinc/20/01/80/573200180.db2.gz XKPOHJGLESJIIA-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)/C(C)=C(\C)C[C@@H]1CCC[NH2+]1 ZINC000320356716 572637294 /nfs/dbraw/zinc/63/72/94/572637294.db2.gz LETJLTJUQOWCRA-LAOJCRCLSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](CC)C(C)(C)C ZINC000378751137 538334985 /nfs/dbraw/zinc/33/49/85/538334985.db2.gz UWKIKPBUUVILNY-IJLUTSLNSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](CC)C(C)(C)C ZINC000378751138 538334738 /nfs/dbraw/zinc/33/47/38/538334738.db2.gz UWKIKPBUUVILNY-UTUOFQBUSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)C1([NH2+]CCCC(C)(C)C)CC1 ZINC000378856226 409805910 /nfs/dbraw/zinc/80/59/10/409805910.db2.gz KMRXLUAFMFOOPL-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CC/C=C/CC[NH2+][C@@H](C)C1CCCC1 ZINC000379563763 538414926 /nfs/dbraw/zinc/41/49/26/538414926.db2.gz AIPBCJAROCBOAV-ITKZLYELSA-N 1 0 195.350 3.511 10 0 AHAERO CC/C=C\CC[NH2+][C@H](C)C1CCCC1 ZINC000379563764 538415191 /nfs/dbraw/zinc/41/51/91/538415191.db2.gz AIPBCJAROCBOAV-QMAVJUDZSA-N 1 0 195.350 3.511 10 0 AHAERO CC/C=C\CC[NH2+][C@@H](C)C1CCCC1 ZINC000379563766 538414693 /nfs/dbraw/zinc/41/46/93/538414693.db2.gz AIPBCJAROCBOAV-RXNFCKPNSA-N 1 0 195.350 3.511 10 0 AHAERO CC/C=C/CC[NH2+][C@H](C)C1CCCC1 ZINC000379563769 538415237 /nfs/dbraw/zinc/41/52/37/538415237.db2.gz AIPBCJAROCBOAV-ZYOFXKKJSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@@H]([NH2+]CCC=C(C)C)C(C)(C)C ZINC000379572500 538415951 /nfs/dbraw/zinc/41/59/51/538415951.db2.gz GSTOCYTWOJEGIC-GFCCVEGCSA-N 1 0 197.366 3.757 10 0 AHAERO CC[C@H]([NH2+]CCC=C(C)C)C(C)(C)C ZINC000379572501 538416335 /nfs/dbraw/zinc/41/63/35/538416335.db2.gz GSTOCYTWOJEGIC-LBPRGKRZSA-N 1 0 197.366 3.757 10 0 AHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](CC)C(C)(C)C ZINC000379578733 538416460 /nfs/dbraw/zinc/41/64/60/538416460.db2.gz UWKIKPBUUVILNY-GRYCIOLGSA-N 1 0 197.366 3.589 10 0 AHAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](CC)C(C)(C)C ZINC000379578734 538417282 /nfs/dbraw/zinc/41/72/82/538417282.db2.gz UWKIKPBUUVILNY-WOPDTQHZSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H]([NH2+]CCC1(C)CC1)C(C)(C)C ZINC000379578816 538417274 /nfs/dbraw/zinc/41/72/74/538417274.db2.gz VFNWDXIVOWRMFO-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]([NH2+]CCC1(C)CC1)C(C)(C)C ZINC000379578820 538415946 /nfs/dbraw/zinc/41/59/46/538415946.db2.gz VFNWDXIVOWRMFO-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH2+]CC1(CC)CC1)C(C)(C)C ZINC000379648607 538426287 /nfs/dbraw/zinc/42/62/87/538426287.db2.gz BTGVMCNOHNRUDG-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]([NH2+]CC1(CC)CC1)C(C)(C)C ZINC000379648611 538425754 /nfs/dbraw/zinc/42/57/54/538425754.db2.gz BTGVMCNOHNRUDG-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH2+]CC1(C)CCC1)C(C)(C)C ZINC000379652783 538426376 /nfs/dbraw/zinc/42/63/76/538426376.db2.gz HCYRQCUDHGYYNY-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]([NH2+]CC1(C)CCC1)C(C)(C)C ZINC000379652784 538426649 /nfs/dbraw/zinc/42/66/49/538426649.db2.gz HCYRQCUDHGYYNY-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]([NH2+][C@@H]1CC=C(C)CC1)C(C)C ZINC000379658409 538427083 /nfs/dbraw/zinc/42/70/83/538427083.db2.gz NKFJITMYBJCLKS-CHWSQXEVSA-N 1 0 195.350 3.509 10 0 AHAERO CC[C@H]([NH2+][C@@H]1CC=C(C)CC1)C(C)C ZINC000379658410 538426818 /nfs/dbraw/zinc/42/68/18/538426818.db2.gz NKFJITMYBJCLKS-OLZOCXBDSA-N 1 0 195.350 3.509 10 0 AHAERO CC[C@@H]([NH2+][C@H]1CC=C(C)CC1)C(C)C ZINC000379658411 538427009 /nfs/dbraw/zinc/42/70/09/538427009.db2.gz NKFJITMYBJCLKS-QWHCGFSZSA-N 1 0 195.350 3.509 10 0 AHAERO CC[C@H]([NH2+][C@H]1CC=C(C)CC1)C(C)C ZINC000379658412 538427067 /nfs/dbraw/zinc/42/70/67/538427067.db2.gz NKFJITMYBJCLKS-STQMWFEESA-N 1 0 195.350 3.509 10 0 AHAERO CCCCC/C=C(/C)[C@H]1CCCC[NH2+]1 ZINC000386546957 572246087 /nfs/dbraw/zinc/24/60/87/572246087.db2.gz GAVCFGUBZNYJMM-KIWPFMIBSA-N 1 0 195.350 3.655 10 0 AHAERO CCCCC[NH2+][C@H](CC)C1CCCC1 ZINC000387493767 572216457 /nfs/dbraw/zinc/21/64/57/572216457.db2.gz ZVXVXKMHMLXMGE-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@H]([NH2+]C)[C@H](CC)C1CCCC1 ZINC000387530358 573183662 /nfs/dbraw/zinc/18/36/62/573183662.db2.gz MGWDWVIUXIILLP-OLZOCXBDSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@H]([NH2+]C)[C@@H]1C[C@H]1CC ZINC000387531569 573183826 /nfs/dbraw/zinc/18/38/26/573183826.db2.gz CGMSJZZTBWOSNI-UPJWGTAASA-N 1 0 197.366 3.591 10 0 AHAERO CC/C=C/C[NH2+][C@@H](CC)C1CCCC1 ZINC000387565889 573553700 /nfs/dbraw/zinc/55/37/00/573553700.db2.gz ZMUQSFINSOKFRN-LJLILKBBSA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)C1CCC(CC[C@H](C)[NH3+])CC1 ZINC000388668173 572198665 /nfs/dbraw/zinc/19/86/65/572198665.db2.gz CEJGOOHSFUNOAH-HIFPTAJRSA-N 1 0 197.366 3.576 10 0 AHAERO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000388805742 538437747 /nfs/dbraw/zinc/43/77/47/538437747.db2.gz AENQMBOPOPPSHR-QJPTWQEYSA-N 1 0 197.366 3.589 10 0 AHAERO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000388805745 538437994 /nfs/dbraw/zinc/43/79/94/538437994.db2.gz AENQMBOPOPPSHR-SDDRHHMPSA-N 1 0 197.366 3.589 10 0 AHAERO CCC(CC)(CC)C[NH2+][C@H](C)C1CC1 ZINC000389253949 538439594 /nfs/dbraw/zinc/43/95/94/538439594.db2.gz DDEORSOWYBZKJZ-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)(CC)C[NH2+][C@@H](C)C1CC1 ZINC000389253950 538440060 /nfs/dbraw/zinc/44/00/60/538440060.db2.gz DDEORSOWYBZKJZ-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC=C(C)C ZINC000389303671 541342937 /nfs/dbraw/zinc/34/29/37/541342937.db2.gz NBCVYKDAVLPTFF-CHWSQXEVSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC=C(C)C ZINC000389303672 541343735 /nfs/dbraw/zinc/34/37/35/541343735.db2.gz NBCVYKDAVLPTFF-OLZOCXBDSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[C@H]1CCC[C@H]1[NH2+]CC=C(C)C ZINC000389303673 541342775 /nfs/dbraw/zinc/34/27/75/541342775.db2.gz NBCVYKDAVLPTFF-QWHCGFSZSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC=C(C)C ZINC000389303674 541343525 /nfs/dbraw/zinc/34/35/25/541343525.db2.gz NBCVYKDAVLPTFF-STQMWFEESA-N 1 0 195.350 3.511 10 0 AHAERO CCC(CC)(CC)C[NH2+]CC1CCC1 ZINC000391120545 571946751 /nfs/dbraw/zinc/94/67/51/571946751.db2.gz IVUNGPMKMAJKIL-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC/C=C\CC[NH2+]C1(C(C)C)CC1 ZINC000393482619 572658225 /nfs/dbraw/zinc/65/82/25/572658225.db2.gz VVSJAITWTXBBKK-SREVYHEPSA-N 1 0 195.350 3.511 10 0 AHAERO CCC/C=C/CC[NH2+]C1(C(C)C)CC1 ZINC000393482621 572656737 /nfs/dbraw/zinc/65/67/37/572656737.db2.gz VVSJAITWTXBBKK-VOTSOKGWSA-N 1 0 195.350 3.511 10 0 AHAERO CCC(C)(C)CC[NH2+]C1(C(C)C)CC1 ZINC000393483505 409985077 /nfs/dbraw/zinc/98/50/77/409985077.db2.gz JTPWTLIGRHTGCL-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[N@@H+](C)[C@H](C)[C@H](C)CC ZINC000393568220 573887948 /nfs/dbraw/zinc/88/79/48/573887948.db2.gz XZBKFTPISGJNRC-GHMZBOCLSA-N 1 0 185.355 3.541 10 0 AHAERO CCC(CC)[N@@H+](C)[C@@H](C)[C@H](C)CC ZINC000393568221 573882954 /nfs/dbraw/zinc/88/29/54/573882954.db2.gz XZBKFTPISGJNRC-MNOVXSKESA-N 1 0 185.355 3.541 10 0 AHAERO CCC(CC)[N@@H+](C)[C@@H](C)[C@@H](C)CC ZINC000393568223 573884598 /nfs/dbraw/zinc/88/45/98/573884598.db2.gz XZBKFTPISGJNRC-QWRGUYRKSA-N 1 0 185.355 3.541 10 0 AHAERO CCC(CC)[N@@H+](C)[C@H](C)[C@@H](C)CC ZINC000393568226 573810594 /nfs/dbraw/zinc/81/05/94/573810594.db2.gz XZBKFTPISGJNRC-WDEREUQCSA-N 1 0 185.355 3.541 10 0 AHAERO CC[C@H](C)/C=C(\C)C[C@H]1CCCC[NH2+]1 ZINC000393583434 573303281 /nfs/dbraw/zinc/30/32/81/573303281.db2.gz METGISGXOAAWRF-BBLQWXAZSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H](C)/C=C(\C)C[C@@H]1CCCC[NH2+]1 ZINC000393583437 573302936 /nfs/dbraw/zinc/30/29/36/573302936.db2.gz METGISGXOAAWRF-XLCKQVHISA-N 1 0 195.350 3.511 10 0 AHAERO CCC(CC)[C@@H](C)C[C@@H]1CCCC[NH2+]1 ZINC000393659295 573212308 /nfs/dbraw/zinc/21/23/08/573212308.db2.gz QWQZIPAWFJOIMJ-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@H](C)C[C@H]1CCCC[NH2+]1 ZINC000393659297 573210914 /nfs/dbraw/zinc/21/09/14/573210914.db2.gz QWQZIPAWFJOIMJ-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@@H](C)C[C@H]1CCCC[NH2+]1 ZINC000393659299 573210770 /nfs/dbraw/zinc/21/07/70/573210770.db2.gz QWQZIPAWFJOIMJ-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)[C@H](C)C[C@@H]1CCCC[NH2+]1 ZINC000393659301 573213002 /nfs/dbraw/zinc/21/30/02/573213002.db2.gz QWQZIPAWFJOIMJ-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[C@@H](C)C[NH2+]CC(C)(C)C(C)C ZINC000393660221 573258988 /nfs/dbraw/zinc/25/89/88/573258988.db2.gz RAXQTANLYPYHIF-LBPRGKRZSA-N 1 0 199.382 3.550 10 0 AHAERO CCCC/C=C\C[NH2+]C1CCCCC1 ZINC000393661548 573313007 /nfs/dbraw/zinc/31/30/07/573313007.db2.gz XSPBSPFRZIRIHI-UITAMQMPSA-N 1 0 195.350 3.655 10 0 AHAERO CCCC/C=C/C[NH2+]C1CCCCC1 ZINC000393661549 573308974 /nfs/dbraw/zinc/30/89/74/573308974.db2.gz XSPBSPFRZIRIHI-WEVVVXLNSA-N 1 0 195.350 3.655 10 0 AHAERO CCC[C@H](C)C1(C[NH3+])CCC(C)CC1 ZINC000393666861 573527243 /nfs/dbraw/zinc/52/72/43/573527243.db2.gz LVBSYNYDESMUNG-CPCZMJQVSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@@H](C)C1(C[NH3+])CCC(C)CC1 ZINC000393666862 573524219 /nfs/dbraw/zinc/52/42/19/573524219.db2.gz LVBSYNYDESMUNG-OTTFEQOBSA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@H](C)/C=C(\C)C[NH2+]CC(C)C ZINC000394084883 573258052 /nfs/dbraw/zinc/25/80/52/573258052.db2.gz LZTNCNLJZFGKON-OXBCTQFSSA-N 1 0 197.366 3.615 10 0 AHAERO CC[C@@H](C)CC[NH2+][C@@H](C)C1CCCC1 ZINC000394393890 573722599 /nfs/dbraw/zinc/72/25/99/573722599.db2.gz BBBBAJZFMAYBME-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000394439389 573724938 /nfs/dbraw/zinc/72/49/38/573724938.db2.gz CAYFXUXPWZRXRS-YNEHKIRRSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H](C)[C@@H](C)[NH2+]C(C)(C)C1CCC1 ZINC000398226802 571756288 /nfs/dbraw/zinc/75/62/88/571756288.db2.gz QMDZQWDVVRCKAU-GHMZBOCLSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](C)[C@H](C)[NH2+]C(C)(C)C1CCC1 ZINC000398226803 571754495 /nfs/dbraw/zinc/75/44/95/571754495.db2.gz QMDZQWDVVRCKAU-MNOVXSKESA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@@H](C)CC[NH2+][C@]1(C)CC=CCC1 ZINC000398321601 573476392 /nfs/dbraw/zinc/47/63/92/573476392.db2.gz ITHPLQDWFQVNHQ-CHWSQXEVSA-N 1 0 195.350 3.511 10 0 AHAERO C[C@@H](CCCC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400344615 572458303 /nfs/dbraw/zinc/45/83/03/572458303.db2.gz HZSWZUJJGLUXTO-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CCCCCC[C@@H](C)C1CC[NH2+]CC1 ZINC000400405821 571865507 /nfs/dbraw/zinc/86/55/07/571865507.db2.gz RIALMEDMKXAFKM-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+][C@H](CC1(C)CC1)C(CC)CC ZINC000401344603 571934461 /nfs/dbraw/zinc/93/44/61/571934461.db2.gz MAONIAVYQWAZLW-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC1(C)CC1)C(CC)CC ZINC000401344604 571934677 /nfs/dbraw/zinc/93/46/77/571934677.db2.gz MAONIAVYQWAZLW-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(CC)C[C@@H](CC1(C)CC1)[NH2+]C ZINC000401546283 571957424 /nfs/dbraw/zinc/95/74/24/571957424.db2.gz FDIRQGHEQSOETN-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+]CCCC[C@H]1CC=CCC1 ZINC000402352245 572141291 /nfs/dbraw/zinc/14/12/91/572141291.db2.gz UZFWCZKHHKJZHQ-ZDUSSCGKSA-N 1 0 195.350 3.513 10 0 AHAERO CC[C@@H](C)C[C@H](CCCC1CC1)[NH2+]C ZINC000405831536 572948940 /nfs/dbraw/zinc/94/89/40/572948940.db2.gz NQYNAAGJSQXHLR-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)[NH2+]CC(C)(C)CCCC1CC1 ZINC000405973331 573258166 /nfs/dbraw/zinc/25/81/66/573258166.db2.gz WDXYJEPCUGVIQX-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO C[C@@H]1CC[C@@H](C)[PH+]1C1=CC=CC1 ZINC000504807911 229140683 /nfs/dbraw/zinc/14/06/83/229140683.db2.gz DQAMBIOSUGGTKE-NXEZZACHSA-N 1 0 180.231 3.883 10 0 AHAERO CCC(C)(C)C1CCC(C)(C[NH3+])CC1 ZINC000536955373 325670744 /nfs/dbraw/zinc/67/07/44/325670744.db2.gz XBQYQIGIHHCNTI-UHFFFAOYSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)CCC(=[NH2+])c1cccs1 ZINC000584609063 346724874 /nfs/dbraw/zinc/72/48/74/346724874.db2.gz IYNQEYOLPFALGB-UHFFFAOYSA-N 1 0 181.304 3.552 10 0 AHAERO CCCCC(=[NH2+])c1ccccc1Cl ZINC000584613070 346728651 /nfs/dbraw/zinc/72/86/51/346728651.db2.gz WHMXMNWITDOWNZ-UHFFFAOYSA-N 1 0 195.693 3.898 10 0 AHAERO CCCCC(=[NH2+])c1cccc(C)c1 ZINC000584613875 375553452 /nfs/dbraw/zinc/55/34/52/375553452.db2.gz LWPQVCNIJWEMPE-UHFFFAOYSA-N 1 0 175.275 3.553 10 0 AHAERO CC(C)(C)P=[NH+][Si](C)(C)C ZINC000584646001 346740984 /nfs/dbraw/zinc/74/09/84/346740984.db2.gz IPRJXBVAVOLWDT-UHFFFAOYSA-N 1 0 175.288 3.750 10 0 AHAERO [NH2+]=C(c1cccs1)C1CCCCC1 ZINC000584657374 346744062 /nfs/dbraw/zinc/74/40/62/346744062.db2.gz LJIBGOIKZRUSPW-UHFFFAOYSA-N 1 0 193.315 3.696 10 0 AHAERO CC(C)[N@@H+]1CCCC[C@H](C(C)(C)C)C1 ZINC000616602809 347109921 /nfs/dbraw/zinc/10/99/21/347109921.db2.gz OSGCHXJNAOAYQG-LBPRGKRZSA-N 1 0 197.366 3.543 10 0 AHAERO CC(C)[C@H]1CCCCC[N@@H+]1C(C)(C)C ZINC000616604304 347110308 /nfs/dbraw/zinc/11/03/08/347110308.db2.gz BZJHPWGUGWKVHW-GFCCVEGCSA-N 1 0 197.366 3.686 10 0 AHAERO CC(C)[C@H]1CCCC[N@@H+](C(C)(C)C)C1 ZINC000616605291 347110910 /nfs/dbraw/zinc/11/09/10/347110910.db2.gz XRXQTONYGSECDM-LBPRGKRZSA-N 1 0 197.366 3.543 10 0 AHAERO CC(C)[N@@H+]1CCCCC[C@@H]1C(C)(C)C ZINC000616606099 347111093 /nfs/dbraw/zinc/11/10/93/347111093.db2.gz YPTYTHFBABOGSW-GFCCVEGCSA-N 1 0 197.366 3.686 10 0 AHAERO CC(C)[C@@H]1CCCCC[N@@H+]1C(C)(C)C ZINC000616626292 347129147 /nfs/dbraw/zinc/12/91/47/347129147.db2.gz BZJHPWGUGWKVHW-LBPRGKRZSA-N 1 0 197.366 3.686 10 0 AHAERO CC(C)[N@@H+]1CCCCC[C@H]1C(C)(C)C ZINC000616634628 347134947 /nfs/dbraw/zinc/13/49/47/347134947.db2.gz YPTYTHFBABOGSW-LBPRGKRZSA-N 1 0 197.366 3.686 10 0 AHAERO CC(C)[N@@H+]1CCCC[C@@H](C(C)(C)C)C1 ZINC000616654841 347155995 /nfs/dbraw/zinc/15/59/95/347155995.db2.gz OSGCHXJNAOAYQG-GFCCVEGCSA-N 1 0 197.366 3.543 10 0 AHAERO CC(C)[C@@H]1CCCC[N@@H+](C(C)(C)C)C1 ZINC000616656439 347157052 /nfs/dbraw/zinc/15/70/52/347157052.db2.gz XRXQTONYGSECDM-GFCCVEGCSA-N 1 0 197.366 3.543 10 0 AHAERO CCCC1(/C=C\[C@H](C)[NH2+]CC)CCC1 ZINC000686124952 573940986 /nfs/dbraw/zinc/94/09/86/573940986.db2.gz DMGSQYQRPDKLIU-RDQDRAATSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC1(/C=C\[C@@H](C)[NH2+]CC)CCC1 ZINC000686124955 573937325 /nfs/dbraw/zinc/93/73/25/573937325.db2.gz DMGSQYQRPDKLIU-SEVUFMINSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC1(/C=C/[C@H](C)[NH2+]CC)CCC1 ZINC000686124961 573937655 /nfs/dbraw/zinc/93/76/55/573937655.db2.gz DMGSQYQRPDKLIU-VNKGSWCUSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC1(/C=C/[C@@H](C)[NH2+]CC)CCC1 ZINC000686124962 573941768 /nfs/dbraw/zinc/94/17/68/573941768.db2.gz DMGSQYQRPDKLIU-YTRUQHMWSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC1(/C=C(/CC)C[NH2+]C)CCC1 ZINC000686125260 574006578 /nfs/dbraw/zinc/00/65/78/574006578.db2.gz GWVFNBRKGNFIHT-BENRWUELSA-N 1 0 195.350 3.513 10 0 AHAERO CCCC1(/C=C(\CC)C[NH2+]C)CCC1 ZINC000686125344 573996374 /nfs/dbraw/zinc/99/63/74/573996374.db2.gz GWVFNBRKGNFIHT-ZRDIBKRKSA-N 1 0 195.350 3.513 10 0 AHAERO CCCC1(/C=C(/C)C[NH2+]CC)CCC1 ZINC000686126581 573965492 /nfs/dbraw/zinc/96/54/92/573965492.db2.gz QLBOCDXLHXJHOP-BENRWUELSA-N 1 0 195.350 3.513 10 0 AHAERO CCCC1(/C=C(\C)C[NH2+]CC)CCC1 ZINC000686126583 573965927 /nfs/dbraw/zinc/96/59/27/573965927.db2.gz QLBOCDXLHXJHOP-ZRDIBKRKSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]C/C=C\C1(CCC)CCC1 ZINC000686128252 573363439 /nfs/dbraw/zinc/36/34/39/573363439.db2.gz IWQGTBPUEVDYSL-POHAHGRESA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]C/C=C/C1(CCC)CCC1 ZINC000686128254 573362063 /nfs/dbraw/zinc/36/20/63/573362063.db2.gz IWQGTBPUEVDYSL-UXBLZVDNSA-N 1 0 195.350 3.513 10 0 AHAERO CCCC1(CCCC[NH2+]CC)CCC1 ZINC000686128606 573602172 /nfs/dbraw/zinc/60/21/72/573602172.db2.gz LBEGRYXLZKWABV-UHFFFAOYSA-N 1 0 197.366 3.737 10 0 AHAERO CCC[NH2+][C@H](C)/C(C)=C/C1(C)CCC1 ZINC000686128653 573643120 /nfs/dbraw/zinc/64/31/20/573643120.db2.gz LNYOQDQQTFYANW-HCRIHEDKSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@@H](C)/C(C)=C/C1(C)CCC1 ZINC000686128654 573644934 /nfs/dbraw/zinc/64/49/34/573644934.db2.gz LNYOQDQQTFYANW-IIANPFDCSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@H](C)/C(C)=C\C1(C)CCC1 ZINC000686128655 573644275 /nfs/dbraw/zinc/64/42/75/573644275.db2.gz LNYOQDQQTFYANW-NLYDNYMLSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+][C@@H](C)/C(C)=C\C1(C)CCC1 ZINC000686128656 573642828 /nfs/dbraw/zinc/64/28/28/573642828.db2.gz LNYOQDQQTFYANW-WEHUKYGOSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC1(/C=C\C[NH2+]C(C)C)CCC1 ZINC000686129487 573902659 /nfs/dbraw/zinc/90/26/59/573902659.db2.gz WOLLPEQEBIPZJY-POHAHGRESA-N 1 0 195.350 3.511 10 0 AHAERO CCCC1(/C=C/C[NH2+]C(C)C)CCC1 ZINC000686129488 573904240 /nfs/dbraw/zinc/90/42/40/573904240.db2.gz WOLLPEQEBIPZJY-UXBLZVDNSA-N 1 0 195.350 3.511 10 0 AHAERO CCC[NH2+]CCCCC1(CC)CCC1 ZINC000686130027 573989866 /nfs/dbraw/zinc/98/98/66/573989866.db2.gz JCDBYMOSVRNNER-UHFFFAOYSA-N 1 0 197.366 3.737 10 0 AHAERO CC[NH2+][C@H](C)CCC1(C(C)C)CCC1 ZINC000686130523 573032408 /nfs/dbraw/zinc/03/24/08/573032408.db2.gz DLOYRZXOOPBLSX-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](C)CCC1(C(C)C)CCC1 ZINC000686130524 573033241 /nfs/dbraw/zinc/03/32/41/573033241.db2.gz DLOYRZXOOPBLSX-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CCC1(CCCC[NH2+]C(C)C)CCC1 ZINC000686130708 573070167 /nfs/dbraw/zinc/07/01/67/573070167.db2.gz XXAGRIKRWJSHFZ-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CC[NH2+]CCCCC1(C(C)C)CCC1 ZINC000686131557 573478473 /nfs/dbraw/zinc/47/84/73/573478473.db2.gz HIVIEEMRMGMWJS-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]C/C(C)=C\C1(CC)CCC1 ZINC000686131683 573488785 /nfs/dbraw/zinc/48/87/85/573488785.db2.gz BXHMKMPJJLDMGQ-BENRWUELSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]C/C(C)=C/C1(CC)CCC1 ZINC000686131688 573490787 /nfs/dbraw/zinc/49/07/87/573490787.db2.gz BXHMKMPJJLDMGQ-ZRDIBKRKSA-N 1 0 195.350 3.513 10 0 AHAERO CC(C)C[NH2+]CCCCC1(C)CCC1 ZINC000686131728 573480198 /nfs/dbraw/zinc/48/01/98/573480198.db2.gz CDQUFTSPDYPOEJ-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CC[NH2+]C/C(=C\C1(CC)CCC1)CC ZINC000686132437 573934178 /nfs/dbraw/zinc/93/41/78/573934178.db2.gz IMALJNLPYQSJLT-BENRWUELSA-N 1 0 195.350 3.513 10 0 AHAERO CC[NH2+]C/C(=C/C1(CC)CCC1)CC ZINC000686132439 573935017 /nfs/dbraw/zinc/93/50/17/573935017.db2.gz IMALJNLPYQSJLT-ZRDIBKRKSA-N 1 0 195.350 3.513 10 0 AHAERO CC(C)(C)[NH2+]CCCCC1(C)CCC1 ZINC000686132745 573297196 /nfs/dbraw/zinc/29/71/96/573297196.db2.gz JWBVICWLYNSXII-UHFFFAOYSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@H](C)CCC1(CC)CCC1 ZINC000686132916 573855767 /nfs/dbraw/zinc/85/57/67/573855767.db2.gz NBJPVIMRZZWESI-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H](C)CCC1(CC)CCC1 ZINC000686132918 573853282 /nfs/dbraw/zinc/85/32/82/573853282.db2.gz NBJPVIMRZZWESI-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO C/C(=C/C1(C)CCC1)C[NH2+]C(C)(C)C ZINC000686133886 573058503 /nfs/dbraw/zinc/05/85/03/573058503.db2.gz PFUGJPLAFBQCBY-LUAWRHEFSA-N 1 0 195.350 3.511 10 0 AHAERO C/C(=C\C1(C)CCC1)C[NH2+]C(C)(C)C ZINC000686133890 573058091 /nfs/dbraw/zinc/05/80/91/573058091.db2.gz PFUGJPLAFBQCBY-PKNBQFBNSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC1(CC[C@@H](C)[NH2+]CC)CCC1 ZINC000686134857 573191889 /nfs/dbraw/zinc/19/18/89/573191889.db2.gz YHHZDOSERFVZNN-GFCCVEGCSA-N 1 0 197.366 3.735 10 0 AHAERO CCCC1(CC[C@H](C)[NH2+]CC)CCC1 ZINC000686134858 573193701 /nfs/dbraw/zinc/19/37/01/573193701.db2.gz YHHZDOSERFVZNN-LBPRGKRZSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+]C/C(=C\C1(C)CCC1)CC ZINC000686135030 573211181 /nfs/dbraw/zinc/21/11/81/573211181.db2.gz ZXBOMSFURYGFOM-BENRWUELSA-N 1 0 195.350 3.513 10 0 AHAERO CCC[NH2+]C/C(=C/C1(C)CCC1)CC ZINC000686135031 573212590 /nfs/dbraw/zinc/21/25/90/573212590.db2.gz ZXBOMSFURYGFOM-ZRDIBKRKSA-N 1 0 195.350 3.513 10 0 AHAERO CCC1(/C=C(\C)C[NH2+]C(C)C)CCC1 ZINC000686135246 573256779 /nfs/dbraw/zinc/25/67/79/573256779.db2.gz BNONWIXJHMGUFH-FMIVXFBMSA-N 1 0 195.350 3.511 10 0 AHAERO [NH3+]C1(C2=CCCCC2)CCCCCC1 ZINC000687684524 571940788 /nfs/dbraw/zinc/94/07/88/571940788.db2.gz KDBSYTNFMFJOCW-UHFFFAOYSA-N 1 0 193.334 3.539 10 0 AHAERO CC[C@]([NH3+])(C1=CCCCCC1)C(C)C ZINC000687687367 571952065 /nfs/dbraw/zinc/95/20/65/571952065.db2.gz HTJOTKMCIUPNBZ-CYBMUJFWSA-N 1 0 195.350 3.640 10 0 AHAERO CC[C@@]([NH3+])(C1=CCCCCC1)C(C)C ZINC000687687368 571951550 /nfs/dbraw/zinc/95/15/50/571951550.db2.gz HTJOTKMCIUPNBZ-ZDUSSCGKSA-N 1 0 195.350 3.640 10 0 AHAERO CC[C@H](C)[C@](C)([NH3+])C1=CCCCCC1 ZINC000687687386 571955056 /nfs/dbraw/zinc/95/50/56/571955056.db2.gz IZCNGFMQFNEYKC-AAEUAGOBSA-N 1 0 195.350 3.640 10 0 AHAERO CC[C@@H](C)[C@@](C)([NH3+])C1=CCCCCC1 ZINC000687687387 571955650 /nfs/dbraw/zinc/95/56/50/571955650.db2.gz IZCNGFMQFNEYKC-DGCLKSJQSA-N 1 0 195.350 3.640 10 0 AHAERO CC[C@H](C)[C@@](C)([NH3+])C1=CCCCCC1 ZINC000687687388 571953910 /nfs/dbraw/zinc/95/39/10/571953910.db2.gz IZCNGFMQFNEYKC-WCQYABFASA-N 1 0 195.350 3.640 10 0 AHAERO CC[C@@H](C)[C@](C)([NH3+])C1=CCCCCC1 ZINC000687687389 571954572 /nfs/dbraw/zinc/95/45/72/571954572.db2.gz IZCNGFMQFNEYKC-YPMHNXCESA-N 1 0 195.350 3.640 10 0 AHAERO [NH3+]C1(C2=CCCCCC2)CCCCC1 ZINC000687687432 571955248 /nfs/dbraw/zinc/95/52/48/571955248.db2.gz MJRKYZOWNJWIEI-UHFFFAOYSA-N 1 0 193.334 3.539 10 0 AHAERO CCC([NH3+])(CC)C1=CCCCCCC1 ZINC000687692220 571967655 /nfs/dbraw/zinc/96/76/55/571967655.db2.gz OQBMHWGWKNKKTC-UHFFFAOYSA-N 1 0 195.350 3.785 10 0 AHAERO [NH3+]C1(C2=CCCCCCC2)CCCC1 ZINC000687692231 571968510 /nfs/dbraw/zinc/96/85/10/571968510.db2.gz PTJLXCOFBUKIIU-UHFFFAOYSA-N 1 0 193.334 3.539 10 0 AHAERO CC(C)[C@@](C)([NH3+])C1=CCCCCCC1 ZINC000687692232 571967895 /nfs/dbraw/zinc/96/78/95/571967895.db2.gz PVLXMIGSYQRLOI-CYBMUJFWSA-N 1 0 195.350 3.640 10 0 AHAERO CC(C)[C@](C)([NH3+])C1=CCCCCCC1 ZINC000687692233 571970008 /nfs/dbraw/zinc/97/00/08/571970008.db2.gz PVLXMIGSYQRLOI-ZDUSSCGKSA-N 1 0 195.350 3.640 10 0 AHAERO C[C@H]1CC(C)(C)C[C@]([NH3+])(C(C)(C)C)C1 ZINC000687695360 571981807 /nfs/dbraw/zinc/98/18/07/571981807.db2.gz HBMYFHIJZJEJGG-GWCFXTLKSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H]1CC(C)(C)C[C@@]([NH3+])(C(C)(C)C)C1 ZINC000687695362 571982954 /nfs/dbraw/zinc/98/29/54/571982954.db2.gz HBMYFHIJZJEJGG-GXFFZTMASA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]1CC(C)(C)C[C@]([NH3+])(C(C)(C)C)C1 ZINC000687695363 571982685 /nfs/dbraw/zinc/98/26/85/571982685.db2.gz HBMYFHIJZJEJGG-MFKMUULPSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(C(C)(C)C)C1 ZINC000687695364 571982654 /nfs/dbraw/zinc/98/26/54/571982654.db2.gz HBMYFHIJZJEJGG-ZWNOBZJWSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CCCC[NH2+][C@H](C)C(C)(C)C ZINC000687710821 572143419 /nfs/dbraw/zinc/14/34/19/572143419.db2.gz MKVNWCQEVLAZRI-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)CCCC[NH2+][C@@H](C)C(C)(C)C ZINC000687710822 572141568 /nfs/dbraw/zinc/14/15/68/572141568.db2.gz MKVNWCQEVLAZRI-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000687710839 572142956 /nfs/dbraw/zinc/14/29/56/572142956.db2.gz PAWOCUBITMPQGM-GHMZBOCLSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)C(C)(C)C ZINC000687710840 572142424 /nfs/dbraw/zinc/14/24/24/572142424.db2.gz PAWOCUBITMPQGM-MNOVXSKESA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)C(C)(C)C ZINC000687710841 572142192 /nfs/dbraw/zinc/14/21/92/572142192.db2.gz PAWOCUBITMPQGM-QWRGUYRKSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)[C@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000687710842 572143954 /nfs/dbraw/zinc/14/39/54/572143954.db2.gz PAWOCUBITMPQGM-WDEREUQCSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000687710855 572141808 /nfs/dbraw/zinc/14/18/08/572141808.db2.gz RGCPBUBBYNADEZ-QJPTWQEYSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)C(C)(C)C ZINC000687710856 572141933 /nfs/dbraw/zinc/14/19/33/572141933.db2.gz RGCPBUBBYNADEZ-SDDRHHMPSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)C(C)(C)C ZINC000687710857 572141603 /nfs/dbraw/zinc/14/16/03/572141603.db2.gz RGCPBUBBYNADEZ-SRVKXCTJSA-N 1 0 199.382 3.835 10 0 AHAERO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)C(C)(C)C ZINC000687710858 572142360 /nfs/dbraw/zinc/14/23/60/572142360.db2.gz RGCPBUBBYNADEZ-TUAOUCFPSA-N 1 0 199.382 3.835 10 0 AHAERO CCC(CC)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000687716197 571690556 /nfs/dbraw/zinc/69/05/56/571690556.db2.gz CVUAITRPHSKMGC-LLVKDONJSA-N 1 0 199.382 3.789 10 0 AHAERO CCC(CC)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000687716198 571692097 /nfs/dbraw/zinc/69/20/97/571692097.db2.gz CVUAITRPHSKMGC-NSHDSACASA-N 1 0 199.382 3.789 10 0 AHAERO CCCC1CCC([NH3+])(C=C(C)C)CC1 ZINC000687774446 572021666 /nfs/dbraw/zinc/02/16/66/572021666.db2.gz GBTVLTWKMKDCQS-UHFFFAOYSA-N 1 0 195.350 3.640 10 0 AHAERO CC(C)[NH+](C1CCCC1)C1CCCC1 ZINC000687802874 571832063 /nfs/dbraw/zinc/83/20/63/571832063.db2.gz LXUGSWAQHLSZCL-UHFFFAOYSA-N 1 0 195.350 3.582 10 0 AHAERO CCC(CC)C[N@H+](CC(C)C)C1CC1 ZINC000687802898 571830736 /nfs/dbraw/zinc/83/07/36/571830736.db2.gz KHSKXMITRFMSPZ-UHFFFAOYSA-N 1 0 197.366 3.543 10 0 AHAERO CCCC(C)(C)[NH2+][C@H]1CCCC[C@H]1C ZINC000687802909 571832074 /nfs/dbraw/zinc/83/20/74/571832074.db2.gz BBAKDLKIFLATMK-NEPJUHHUSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC(C)(C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000687802910 571830705 /nfs/dbraw/zinc/83/07/05/571830705.db2.gz BBAKDLKIFLATMK-NWDGAFQWSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC(C)(C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000687802911 571831033 /nfs/dbraw/zinc/83/10/33/571831033.db2.gz BBAKDLKIFLATMK-RYUDHWBXSA-N 1 0 197.366 3.733 10 0 AHAERO CCCC(C)(C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000687802912 571830477 /nfs/dbraw/zinc/83/04/77/571830477.db2.gz BBAKDLKIFLATMK-VXGBXAGGSA-N 1 0 197.366 3.733 10 0 AHAERO CCC[C@H]([NH3+])[C@@H](C)CC1CCCCC1 ZINC000689831202 572996433 /nfs/dbraw/zinc/99/64/33/572996433.db2.gz NFVJDBFZOPBGNM-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H]([NH3+])[C@H](C)CC1CCCCC1 ZINC000689831246 572995446 /nfs/dbraw/zinc/99/54/46/572995446.db2.gz NFVJDBFZOPBGNM-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@@H]([NH3+])[C@@H](C)CC1CCCCC1 ZINC000689831247 572995675 /nfs/dbraw/zinc/99/56/75/572995675.db2.gz NFVJDBFZOPBGNM-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@H]([NH3+])[C@H](C)CC1CCCCC1 ZINC000689831249 572994913 /nfs/dbraw/zinc/99/49/13/572994913.db2.gz NFVJDBFZOPBGNM-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO C[C@H](C[C@@H]1CCCC[C@H]1[NH3+])C(C)(C)C ZINC000710812056 571739726 /nfs/dbraw/zinc/73/97/26/571739726.db2.gz HINIEZXMRBVEEK-GRYCIOLGSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H](C[C@H]1CCCC[C@H]1[NH3+])C(C)(C)C ZINC000710812077 571738943 /nfs/dbraw/zinc/73/89/43/571738943.db2.gz HINIEZXMRBVEEK-IJLUTSLNSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H](C[C@H]1CCCC[C@@H]1[NH3+])C(C)(C)C ZINC000710812079 571738641 /nfs/dbraw/zinc/73/86/41/571738641.db2.gz HINIEZXMRBVEEK-UTUOFQBUSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H](C[C@@H]1CCCC[C@@H]1[NH3+])C(C)(C)C ZINC000710812086 571738962 /nfs/dbraw/zinc/73/89/62/571738962.db2.gz HINIEZXMRBVEEK-WOPDTQHZSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H](C[C@]1([NH3+])CC[C@@H](C)C1)C(C)(C)C ZINC000710832309 571759758 /nfs/dbraw/zinc/75/97/58/571759758.db2.gz QOZULZRCHXSUSS-WZRBSPASSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[C@@H]([NH3+])C[C@@H](CC)C(C)(C)C ZINC000711091580 571892853 /nfs/dbraw/zinc/89/28/53/571892853.db2.gz BQFZLPRZKXARTI-GHMZBOCLSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H]([NH3+])C[C@@H](CC)C(C)(C)C ZINC000711091582 571891976 /nfs/dbraw/zinc/89/19/76/571891976.db2.gz BQFZLPRZKXARTI-MNOVXSKESA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@H]([NH3+])C[C@H](CC)C(C)(C)C ZINC000711091583 571893227 /nfs/dbraw/zinc/89/32/27/571893227.db2.gz BQFZLPRZKXARTI-QWRGUYRKSA-N 1 0 185.355 3.576 10 0 AHAERO CCC[C@@H]([NH3+])C[C@H](CC)C(C)(C)C ZINC000711091585 571893788 /nfs/dbraw/zinc/89/37/88/571893788.db2.gz BQFZLPRZKXARTI-WDEREUQCSA-N 1 0 185.355 3.576 10 0 AHAERO C[NH2+]CC/C=C(/C)C[C@H](C)C(C)(C)C ZINC000711176385 571907381 /nfs/dbraw/zinc/90/73/81/571907381.db2.gz FOGUAEGMQSULDU-KGTBHZDVSA-N 1 0 197.366 3.615 10 0 AHAERO C[NH2+]CC/C=C(/C)C[C@@H](C)C(C)(C)C ZINC000711176387 571907257 /nfs/dbraw/zinc/90/72/57/571907257.db2.gz FOGUAEGMQSULDU-NXIHDVOMSA-N 1 0 197.366 3.615 10 0 AHAERO C[NH2+]CC/C=C(\C)C[C@H](C)C(C)(C)C ZINC000711176388 571908633 /nfs/dbraw/zinc/90/86/33/571908633.db2.gz FOGUAEGMQSULDU-OBIHZWKSSA-N 1 0 197.366 3.615 10 0 AHAERO C/C=C/[C@H](C[C@@H](CC)C(C)(C)C)[NH2+]C ZINC000711176730 571908053 /nfs/dbraw/zinc/90/80/53/571908053.db2.gz IXOXDRIZTCQRBU-FUDMEFDJSA-N 1 0 197.366 3.613 10 0 AHAERO C/C=C/[C@H](C[C@H](CC)C(C)(C)C)[NH2+]C ZINC000711176732 571908733 /nfs/dbraw/zinc/90/87/33/571908733.db2.gz IXOXDRIZTCQRBU-MJEUXHFXSA-N 1 0 197.366 3.613 10 0 AHAERO C/C=C\[C@H](C[C@H](CC)C(C)(C)C)[NH2+]C ZINC000711176736 571908086 /nfs/dbraw/zinc/90/80/86/571908086.db2.gz IXOXDRIZTCQRBU-ONCZFSCLSA-N 1 0 197.366 3.613 10 0 AHAERO C/C=C\[C@H](C[C@@H](CC)C(C)(C)C)[NH2+]C ZINC000711176738 571909086 /nfs/dbraw/zinc/90/90/86/571909086.db2.gz IXOXDRIZTCQRBU-PGQSYZCXSA-N 1 0 197.366 3.613 10 0 AHAERO CC(C)[C@@H]([NH3+])CCC[C@@H](C)C(C)(C)C ZINC000711179943 571906662 /nfs/dbraw/zinc/90/66/62/571906662.db2.gz AJZHSTBMFVAGNJ-NEPJUHHUSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)[C@H]([NH3+])CCC[C@H](C)C(C)(C)C ZINC000711179949 571907113 /nfs/dbraw/zinc/90/71/13/571907113.db2.gz AJZHSTBMFVAGNJ-NWDGAFQWSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)[C@@H]([NH3+])CCC[C@H](C)C(C)(C)C ZINC000711179952 571908121 /nfs/dbraw/zinc/90/81/21/571908121.db2.gz AJZHSTBMFVAGNJ-RYUDHWBXSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)[C@H]([NH3+])CCC[C@@H](C)C(C)(C)C ZINC000711179959 571907960 /nfs/dbraw/zinc/90/79/60/571907960.db2.gz AJZHSTBMFVAGNJ-VXGBXAGGSA-N 1 0 199.382 3.822 10 0 AHAERO C[C@@H](CCC[C@H]([NH3+])C1CC1)C(C)(C)C ZINC000711180998 571908409 /nfs/dbraw/zinc/90/84/09/571908409.db2.gz REWRVVNWQGCHLM-JQWIXIFHSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H](CCC[C@H]([NH3+])C1CC1)C(C)(C)C ZINC000711180999 571906995 /nfs/dbraw/zinc/90/69/95/571906995.db2.gz REWRVVNWQGCHLM-PWSUYJOCSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@H](CCC[C@@H]([NH3+])C1CC1)C(C)(C)C ZINC000711181000 571907977 /nfs/dbraw/zinc/90/79/77/571907977.db2.gz REWRVVNWQGCHLM-ZYHUDNBSSA-N 1 0 197.366 3.576 10 0 AHAERO CC[NH2+]CC/C=C/C[C@@H](C)C(C)(C)C ZINC000711181557 571911826 /nfs/dbraw/zinc/91/18/26/571911826.db2.gz SMWYFQLPHCIAJJ-ABZNLYFFSA-N 1 0 197.366 3.615 10 0 AHAERO CC[NH2+]CC/C=C/C[C@H](C)C(C)(C)C ZINC000711181566 571910544 /nfs/dbraw/zinc/91/05/44/571910544.db2.gz SMWYFQLPHCIAJJ-GUOLPTJISA-N 1 0 197.366 3.615 10 0 AHAERO CC[NH2+]CC/C=C\C[C@H](C)C(C)(C)C ZINC000711181572 571910477 /nfs/dbraw/zinc/91/04/77/571910477.db2.gz SMWYFQLPHCIAJJ-KRZKBDHCSA-N 1 0 197.366 3.615 10 0 AHAERO CC[NH2+]CC/C=C\C[C@@H](C)C(C)(C)C ZINC000711181574 571911414 /nfs/dbraw/zinc/91/14/14/571911414.db2.gz SMWYFQLPHCIAJJ-QDZRJHCZSA-N 1 0 197.366 3.615 10 0 AHAERO C[NH2+][C@H](C)C[C@H](C)C[C@H](C)C(C)(C)C ZINC000711181829 571911792 /nfs/dbraw/zinc/91/17/92/571911792.db2.gz HOSFRYZEPDWPTM-GRYCIOLGSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](C)C[C@H](C)C[C@@H](C)C(C)(C)C ZINC000711181831 571911831 /nfs/dbraw/zinc/91/18/31/571911831.db2.gz HOSFRYZEPDWPTM-IJLUTSLNSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](C)C[C@@H](C)C[C@@H](C)C(C)(C)C ZINC000711181833 571911221 /nfs/dbraw/zinc/91/12/21/571911221.db2.gz HOSFRYZEPDWPTM-QJPTWQEYSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@H](C)C[C@@H](C)C[C@H](C)C(C)(C)C ZINC000711181835 571910728 /nfs/dbraw/zinc/91/07/28/571910728.db2.gz HOSFRYZEPDWPTM-SDDRHHMPSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](C)[NH2+]CC[C@@H](CC)C(C)(C)C ZINC000711182242 571911389 /nfs/dbraw/zinc/91/13/89/571911389.db2.gz SKEHWAOQTJVXFF-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+]CC/C=C/CCC(C)(C)CC ZINC000711302092 571942529 /nfs/dbraw/zinc/94/25/29/571942529.db2.gz WHCLEQXLUIKSOF-BQYQJAHWSA-N 1 0 197.366 3.759 10 0 AHAERO CC[NH2+]CC/C=C\CCC(C)(C)CC ZINC000711302094 571941527 /nfs/dbraw/zinc/94/15/27/571941527.db2.gz WHCLEQXLUIKSOF-FPLPWBNLSA-N 1 0 197.366 3.759 10 0 AHAERO CCCC[C@@H](CC)[NH2+]C[C@@H]1C=CCC1 ZINC000711788476 572120334 /nfs/dbraw/zinc/12/03/34/572120334.db2.gz PUTSKTYKWJYVCD-CHWSQXEVSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC[C@H](CC)[NH2+]C[C@@H]1C=CCC1 ZINC000711788477 572120434 /nfs/dbraw/zinc/12/04/34/572120434.db2.gz PUTSKTYKWJYVCD-OLZOCXBDSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC[C@@H](CC)[NH2+]C[C@H]1C=CCC1 ZINC000711788481 572118960 /nfs/dbraw/zinc/11/89/60/572118960.db2.gz PUTSKTYKWJYVCD-QWHCGFSZSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC[C@H](CC)[NH2+]C[C@H]1C=CCC1 ZINC000711788486 572119509 /nfs/dbraw/zinc/11/95/09/572119509.db2.gz PUTSKTYKWJYVCD-STQMWFEESA-N 1 0 195.350 3.511 10 0 AHAERO CCC(C)(C)C[C@H](C)CCCC[NH3+] ZINC000713127915 571872711 /nfs/dbraw/zinc/87/27/11/571872711.db2.gz YENDNSRZVVOMCA-LLVKDONJSA-N 1 0 185.355 3.578 10 0 AHAERO CCC(C)(C)C[C@@H](C)CCCC[NH3+] ZINC000713127916 571873982 /nfs/dbraw/zinc/87/39/82/571873982.db2.gz YENDNSRZVVOMCA-NSHDSACASA-N 1 0 185.355 3.578 10 0 AHAERO CC[C@H]([NH2+]C)[C@H](C)CC(C)(C)C(C)C ZINC000713128324 571891935 /nfs/dbraw/zinc/89/19/35/571891935.db2.gz CFPSPSKQQYTCJD-NEPJUHHUSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H]([NH2+]C)[C@@H](C)CC(C)(C)C(C)C ZINC000713128326 571891788 /nfs/dbraw/zinc/89/17/88/571891788.db2.gz CFPSPSKQQYTCJD-NWDGAFQWSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H]([NH2+]C)[C@@H](C)CC(C)(C)C(C)C ZINC000713128328 571893336 /nfs/dbraw/zinc/89/33/36/571893336.db2.gz CFPSPSKQQYTCJD-RYUDHWBXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H]([NH2+]C)[C@H](C)CC(C)(C)C(C)C ZINC000713128330 571891513 /nfs/dbraw/zinc/89/15/13/571891513.db2.gz CFPSPSKQQYTCJD-VXGBXAGGSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](CC)CCC(C)(C)C(C)C ZINC000713128563 571904773 /nfs/dbraw/zinc/90/47/73/571904773.db2.gz GCPXEYHSNVNPMX-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@@H](CC)CCC(C)(C)C(C)C ZINC000713128564 571905767 /nfs/dbraw/zinc/90/57/67/571905767.db2.gz GCPXEYHSNVNPMX-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@@H](CC(C)(C)C(C)C)[C@@H](C)[NH2+]C ZINC000713128927 571921799 /nfs/dbraw/zinc/92/17/99/571921799.db2.gz ILAQPSDGZPDPIZ-NEPJUHHUSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](CC(C)(C)C(C)C)[C@H](C)[NH2+]C ZINC000713128930 571921170 /nfs/dbraw/zinc/92/11/70/571921170.db2.gz ILAQPSDGZPDPIZ-NWDGAFQWSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@@H](CC(C)(C)C(C)C)[C@H](C)[NH2+]C ZINC000713128933 571921808 /nfs/dbraw/zinc/92/18/08/571921808.db2.gz ILAQPSDGZPDPIZ-RYUDHWBXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@H](CC(C)(C)C(C)C)[C@@H](C)[NH2+]C ZINC000713128934 571922892 /nfs/dbraw/zinc/92/28/92/571922892.db2.gz ILAQPSDGZPDPIZ-VXGBXAGGSA-N 1 0 199.382 3.693 10 0 AHAERO CCC(C)(C)CC1([NH3+])CC(C(C)C)C1 ZINC000713130990 571933185 /nfs/dbraw/zinc/93/31/85/571933185.db2.gz PPVBSORXLUXDRQ-UHFFFAOYSA-N 1 0 197.366 3.576 10 0 AHAERO CCC[NH2+][C@H](C)CCC(C)(C)C(C)C ZINC000713131242 571933311 /nfs/dbraw/zinc/93/33/11/571933311.db2.gz PWICOVJHIVSEPP-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](C)CCC(C)(C)C(C)C ZINC000713131257 571931896 /nfs/dbraw/zinc/93/18/96/571931896.db2.gz PWICOVJHIVSEPP-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO CC(C)C(C)(C)CC[C@@H]([NH3+])C(C)(C)C ZINC000713132335 571933702 /nfs/dbraw/zinc/93/37/02/571933702.db2.gz UAPAABJKXJCIJB-LLVKDONJSA-N 1 0 199.382 3.822 10 0 AHAERO CC(C)C(C)(C)CC[C@H]([NH3+])C(C)(C)C ZINC000713132341 571934070 /nfs/dbraw/zinc/93/40/70/571934070.db2.gz UAPAABJKXJCIJB-NSHDSACASA-N 1 0 199.382 3.822 10 0 AHAERO CCC(C)(C)C[C@H]([NH3+])[C@]1(C)CC1(C)C ZINC000713133098 571936839 /nfs/dbraw/zinc/93/68/39/571936839.db2.gz XFSBMIWQVZAUAD-GWCFXTLKSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(C)(C)C[C@H]([NH3+])[C@@]1(C)CC1(C)C ZINC000713133109 571935738 /nfs/dbraw/zinc/93/57/38/571935738.db2.gz XFSBMIWQVZAUAD-GXFFZTMASA-N 1 0 197.366 3.576 10 0 AHAERO CCC(C)(C)C[C@@H]([NH3+])[C@]1(C)CC1(C)C ZINC000713133113 571935278 /nfs/dbraw/zinc/93/52/78/571935278.db2.gz XFSBMIWQVZAUAD-MFKMUULPSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(C)(C)C[C@@H]([NH3+])[C@@]1(C)CC1(C)C ZINC000713133121 571936113 /nfs/dbraw/zinc/93/61/13/571936113.db2.gz XFSBMIWQVZAUAD-ZWNOBZJWSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(C)(C)/C=C(/C)C[C@@H]1CCC[NH2+]1 ZINC000713140385 571939319 /nfs/dbraw/zinc/93/93/19/571939319.db2.gz NNECYFJDSWRMDU-WEHUKYGOSA-N 1 0 195.350 3.511 10 0 AHAERO CC[NH2+][C@H](CC(C)(C)C)C1(C)CCC1 ZINC000713140402 571939306 /nfs/dbraw/zinc/93/93/06/571939306.db2.gz KABNEIMCJZRKKM-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H](CC(C)(C)C)C1(C)CCC1 ZINC000713140403 571940149 /nfs/dbraw/zinc/94/01/49/571940149.db2.gz KABNEIMCJZRKKM-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C(C)(C)C[C@]1([NH3+])CC[C@H](C)C1 ZINC000713141113 571940200 /nfs/dbraw/zinc/94/02/00/571940200.db2.gz LYEHHAXKDUQBSK-AAEUAGOBSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C(C)(C)C[C@@]1([NH3+])CC[C@@H](C)C1 ZINC000713141114 571939781 /nfs/dbraw/zinc/93/97/81/571939781.db2.gz LYEHHAXKDUQBSK-DGCLKSJQSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C(C)(C)C[C@@]1([NH3+])CC[C@H](C)C1 ZINC000713141115 571940844 /nfs/dbraw/zinc/94/08/44/571940844.db2.gz LYEHHAXKDUQBSK-WCQYABFASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C(C)(C)C[C@]1([NH3+])CC[C@@H](C)C1 ZINC000713141116 571939302 /nfs/dbraw/zinc/93/93/02/571939302.db2.gz LYEHHAXKDUQBSK-YPMHNXCESA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H]1C[C@H](CC(C)(C)CC)CC[NH2+]1 ZINC000713141412 571944047 /nfs/dbraw/zinc/94/40/47/571944047.db2.gz RZVFWQPGQRWLFN-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1C[C@@H](CC(C)(C)CC)CC[NH2+]1 ZINC000713141414 571942236 /nfs/dbraw/zinc/94/22/36/571942236.db2.gz RZVFWQPGQRWLFN-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H]1C[C@@H](CC(C)(C)CC)CC[NH2+]1 ZINC000713141416 571944222 /nfs/dbraw/zinc/94/42/22/571944222.db2.gz RZVFWQPGQRWLFN-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@H]1C[C@H](CC(C)(C)CC)CC[NH2+]1 ZINC000713141420 571942240 /nfs/dbraw/zinc/94/22/40/571942240.db2.gz RZVFWQPGQRWLFN-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C)[C@@](C)([NH3+])CC(C)(C)C(C)C ZINC000713146462 571946320 /nfs/dbraw/zinc/94/63/20/571946320.db2.gz CHHPOFIDYGBLDB-AAEUAGOBSA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@@H](C)[C@](C)([NH3+])CC(C)(C)C(C)C ZINC000713146518 571946403 /nfs/dbraw/zinc/94/64/03/571946403.db2.gz CHHPOFIDYGBLDB-DGCLKSJQSA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@H](C)[C@](C)([NH3+])CC(C)(C)C(C)C ZINC000713146519 571946506 /nfs/dbraw/zinc/94/65/06/571946506.db2.gz CHHPOFIDYGBLDB-WCQYABFASA-N 1 0 199.382 3.822 10 0 AHAERO CC[C@@H](C)[C@@](C)([NH3+])CC(C)(C)C(C)C ZINC000713146520 571946661 /nfs/dbraw/zinc/94/66/61/571946661.db2.gz CHHPOFIDYGBLDB-YPMHNXCESA-N 1 0 199.382 3.822 10 0 AHAERO CCC[NH2+][C@H]1CC[C@H](CC(C)(C)C)C1 ZINC000713150323 571953432 /nfs/dbraw/zinc/95/34/32/571953432.db2.gz FHMCPGGUYXQKLV-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CCC[NH2+][C@@H]1CC[C@@H](CC(C)(C)C)C1 ZINC000713150326 571953925 /nfs/dbraw/zinc/95/39/25/571953925.db2.gz FHMCPGGUYXQKLV-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)C[C@@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000713157265 571960423 /nfs/dbraw/zinc/96/04/23/571960423.db2.gz ABKVIDPQFYZIAW-GHMZBOCLSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)(C)C[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000713157267 571960793 /nfs/dbraw/zinc/96/07/93/571960793.db2.gz ABKVIDPQFYZIAW-MNOVXSKESA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)(C)C[C@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000713157269 571960862 /nfs/dbraw/zinc/96/08/62/571960862.db2.gz ABKVIDPQFYZIAW-QWRGUYRKSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)(C)C[C@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000713157271 571962060 /nfs/dbraw/zinc/96/20/60/571962060.db2.gz ABKVIDPQFYZIAW-WDEREUQCSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(C)(C)C[C@@]1(C)CC[C@H]([NH2+]C)C1 ZINC000713157274 571960823 /nfs/dbraw/zinc/96/08/23/571960823.db2.gz AFVFJLPUZQVMJH-AAEUAGOBSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(C)(C)C[C@]1(C)CC[C@@H]([NH2+]C)C1 ZINC000713157277 571960491 /nfs/dbraw/zinc/96/04/91/571960491.db2.gz AFVFJLPUZQVMJH-DGCLKSJQSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(C)(C)C[C@]1(C)CC[C@H]([NH2+]C)C1 ZINC000713157279 571960702 /nfs/dbraw/zinc/96/07/02/571960702.db2.gz AFVFJLPUZQVMJH-WCQYABFASA-N 1 0 197.366 3.591 10 0 AHAERO CCC(C)(C)C[C@@]1(C)CC[C@@H]([NH2+]C)C1 ZINC000713157280 571960234 /nfs/dbraw/zinc/96/02/34/571960234.db2.gz AFVFJLPUZQVMJH-YPMHNXCESA-N 1 0 197.366 3.591 10 0 AHAERO CCC(C)(C)C[C@H]1CCCC[C@@H]([NH3+])C1 ZINC000713161619 571963456 /nfs/dbraw/zinc/96/34/56/571963456.db2.gz SFIPELGREWCDML-NWDGAFQWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)C[C@H]1CCCC[C@H]([NH3+])C1 ZINC000713161621 571964944 /nfs/dbraw/zinc/96/49/44/571964944.db2.gz SFIPELGREWCDML-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)C[C@@H]1CCCC[C@@H]([NH3+])C1 ZINC000713161623 571965690 /nfs/dbraw/zinc/96/56/90/571965690.db2.gz SFIPELGREWCDML-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO CC[NH2+][C@H]1CC[C@@H](CC(C)(C)CC)C1 ZINC000713162531 571964820 /nfs/dbraw/zinc/96/48/20/571964820.db2.gz ZKAYHHFRQNKLLH-NEPJUHHUSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CC[C@H](CC(C)(C)CC)C1 ZINC000713162532 571963191 /nfs/dbraw/zinc/96/31/91/571963191.db2.gz ZKAYHHFRQNKLLH-NWDGAFQWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@H]1CC[C@H](CC(C)(C)CC)C1 ZINC000713162534 571963553 /nfs/dbraw/zinc/96/35/53/571963553.db2.gz ZKAYHHFRQNKLLH-RYUDHWBXSA-N 1 0 197.366 3.591 10 0 AHAERO CC[NH2+][C@@H]1CC[C@@H](CC(C)(C)CC)C1 ZINC000713162535 571963243 /nfs/dbraw/zinc/96/32/43/571963243.db2.gz ZKAYHHFRQNKLLH-VXGBXAGGSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)C[C@H]([NH3+])C(C)(C)C1CCC1 ZINC000713165636 571964433 /nfs/dbraw/zinc/96/44/33/571964433.db2.gz BCBZQAOYVONQAV-NSHDSACASA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C(C)(C)CCC[C@@H]([NH3+])C1CC1 ZINC000713168482 571974167 /nfs/dbraw/zinc/97/41/67/571974167.db2.gz VTHSIYQXCZNWHS-GFCCVEGCSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C(C)(C)CCC[C@H]([NH3+])C1CC1 ZINC000713168502 571974186 /nfs/dbraw/zinc/97/41/86/571974186.db2.gz VTHSIYQXCZNWHS-LBPRGKRZSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C(C)(C)CC[C@H]1CCCC[NH2+]1 ZINC000713172966 571986110 /nfs/dbraw/zinc/98/61/10/571986110.db2.gz GFYCGDZQYDLIEQ-GFCCVEGCSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C(C)(C)CC[C@@H]1CCCC[NH2+]1 ZINC000713172967 571985517 /nfs/dbraw/zinc/98/55/17/571985517.db2.gz GFYCGDZQYDLIEQ-LBPRGKRZSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)(C)C[C@@H]([NH3+])CC(C)(C)C1CC1 ZINC000713173116 571986892 /nfs/dbraw/zinc/98/68/92/571986892.db2.gz DIJWWIOWDFCIEN-LLVKDONJSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)(C)C[C@H]([NH3+])CC(C)(C)C1CC1 ZINC000713173122 571985992 /nfs/dbraw/zinc/98/59/92/571985992.db2.gz DIJWWIOWDFCIEN-NSHDSACASA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]1CC[C@@]([NH3+])(CC(C)(C)C)C[C@@H]1C ZINC000713173724 571985704 /nfs/dbraw/zinc/98/57/04/571985704.db2.gz BMXHNXFOOSZNMB-MDZLAQPJSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]1CC[C@]([NH3+])(CC(C)(C)C)C[C@H]1C ZINC000713173734 571986555 /nfs/dbraw/zinc/98/65/55/571986555.db2.gz BMXHNXFOOSZNMB-NQBHXWOUSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]1CC[C@]([NH3+])(CC(C)(C)C)C[C@@H]1C ZINC000713173747 571984680 /nfs/dbraw/zinc/98/46/80/571984680.db2.gz BMXHNXFOOSZNMB-NTZNESFSSA-N 1 0 197.366 3.576 10 0 AHAERO C[C@@H]1CC[C@@]([NH3+])(CC(C)(C)C)C[C@H]1C ZINC000713173761 571985247 /nfs/dbraw/zinc/98/52/47/571985247.db2.gz BMXHNXFOOSZNMB-WZRBSPASSA-N 1 0 197.366 3.576 10 0 AHAERO CC[NH2+]C[C@H](C)[C@H](C)CC(C)(C)CC ZINC000713176126 571987597 /nfs/dbraw/zinc/98/75/97/571987597.db2.gz NRJIQTNDWDRIEW-NEPJUHHUSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@@H](C)[C@@H](C)CC(C)(C)CC ZINC000713176129 571990035 /nfs/dbraw/zinc/99/00/35/571990035.db2.gz NRJIQTNDWDRIEW-NWDGAFQWSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@H](C)[C@@H](C)CC(C)(C)CC ZINC000713176131 571987607 /nfs/dbraw/zinc/98/76/07/571987607.db2.gz NRJIQTNDWDRIEW-RYUDHWBXSA-N 1 0 199.382 3.694 10 0 AHAERO CC[NH2+]C[C@@H](C)[C@H](C)CC(C)(C)CC ZINC000713176133 571989355 /nfs/dbraw/zinc/98/93/55/571989355.db2.gz NRJIQTNDWDRIEW-VXGBXAGGSA-N 1 0 199.382 3.694 10 0 AHAERO CC(C)(C)C[C@@H]([NH3+])CC1=CCCCC1 ZINC000713176209 571988608 /nfs/dbraw/zinc/98/86/08/571988608.db2.gz RORWSYZVIHMGRZ-LBPRGKRZSA-N 1 0 195.350 3.640 10 0 AHAERO CC[NH2+]C(CC(C)(C)C)CC(C)(C)C ZINC000713176248 571989233 /nfs/dbraw/zinc/98/92/33/571989233.db2.gz SNJVAVDVEDFVCO-UHFFFAOYSA-N 1 0 199.382 3.837 10 0 AHAERO CC[C@H]1CCCC[C@]1([NH3+])CC(C)(C)C ZINC000713176726 571989759 /nfs/dbraw/zinc/98/97/59/571989759.db2.gz WIJZWFFYULSLFR-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]1CCCC[C@@]1([NH3+])CC(C)(C)C ZINC000713176727 571987753 /nfs/dbraw/zinc/98/77/53/571987753.db2.gz WIJZWFFYULSLFR-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CCCC[C@@]1([NH3+])CC(C)(C)C ZINC000713176728 571989791 /nfs/dbraw/zinc/98/97/91/571989791.db2.gz WIJZWFFYULSLFR-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]1CCCC[C@]1([NH3+])CC(C)(C)C ZINC000713176729 571989165 /nfs/dbraw/zinc/98/91/65/571989165.db2.gz WIJZWFFYULSLFR-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO C[C@H]1CCC[C@@]([NH3+])(CC(C)(C)C)CC1 ZINC000713176734 571990638 /nfs/dbraw/zinc/99/06/38/571990638.db2.gz WKCUHFUHEVINAC-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO C[C@@H]1CCC[C@]([NH3+])(CC(C)(C)C)CC1 ZINC000713176735 571991946 /nfs/dbraw/zinc/99/19/46/571991946.db2.gz WKCUHFUHEVINAC-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO C[C@H]1CCC[C@]([NH3+])(CC(C)(C)C)CC1 ZINC000713176736 571991825 /nfs/dbraw/zinc/99/18/25/571991825.db2.gz WKCUHFUHEVINAC-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO C[C@@H]1CCC[C@@]([NH3+])(CC(C)(C)C)CC1 ZINC000713176737 571992939 /nfs/dbraw/zinc/99/29/39/571992939.db2.gz WKCUHFUHEVINAC-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)C[C@H](C)CC[NH2+]C1CC1 ZINC000713177441 571987582 /nfs/dbraw/zinc/98/75/82/571987582.db2.gz VDQGOHRNIGTZFF-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(C)(C)C[C@@H](C)CC[NH2+]C1CC1 ZINC000713177442 571990128 /nfs/dbraw/zinc/99/01/28/571990128.db2.gz VDQGOHRNIGTZFF-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC(C)(C)C[C@H]1CCCC[C@@H]1C[NH3+] ZINC000713177865 571989828 /nfs/dbraw/zinc/98/98/28/571989828.db2.gz YJQNRJKHXLDECR-VXGBXAGGSA-N 1 0 197.366 3.578 10 0 AHAERO CCCC[C@@](C)([NH3+])CC(C)(C)C(C)C ZINC000713182325 571996565 /nfs/dbraw/zinc/99/65/65/571996565.db2.gz LESSARHDMOTPOV-CYBMUJFWSA-N 1 0 199.382 3.966 10 0 AHAERO CCCC[C@](C)([NH3+])CC(C)(C)C(C)C ZINC000713182326 571996807 /nfs/dbraw/zinc/99/68/07/571996807.db2.gz LESSARHDMOTPOV-ZDUSSCGKSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@]([NH3+])(CC)CC(C)(C)C(C)C ZINC000713183839 572000978 /nfs/dbraw/zinc/00/09/78/572000978.db2.gz VKOXWXJMKWTCNG-CYBMUJFWSA-N 1 0 199.382 3.966 10 0 AHAERO CCC[C@@]([NH3+])(CC)CC(C)(C)C(C)C ZINC000713183842 572002996 /nfs/dbraw/zinc/00/29/96/572002996.db2.gz VKOXWXJMKWTCNG-ZDUSSCGKSA-N 1 0 199.382 3.966 10 0 AHAERO CC(C)C(C)(C)C[C@H](C[NH3+])C(C)(C)C ZINC000713202051 572032282 /nfs/dbraw/zinc/03/22/82/572032282.db2.gz RLLJEQYEEYGLGV-LLVKDONJSA-N 1 0 199.382 3.680 10 0 AHAERO CC(C)C(C)(C)C[C@@H](C[NH3+])C(C)(C)C ZINC000713202052 572032291 /nfs/dbraw/zinc/03/22/91/572032291.db2.gz RLLJEQYEEYGLGV-NSHDSACASA-N 1 0 199.382 3.680 10 0 AHAERO C[C@H]1CCC[C@@](C[NH3+])(CC(C)(C)C)C1 ZINC000713207095 572052188 /nfs/dbraw/zinc/05/21/88/572052188.db2.gz AAHQLEHFOOTGNQ-AAEUAGOBSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@@H]1CCC[C@](C[NH3+])(CC(C)(C)C)C1 ZINC000713207098 572053459 /nfs/dbraw/zinc/05/34/59/572053459.db2.gz AAHQLEHFOOTGNQ-DGCLKSJQSA-N 1 0 197.366 3.578 10 0 AHAERO C[C@H]1CCC[C@](C[NH3+])(CC(C)(C)C)C1 ZINC000713207100 572053358 /nfs/dbraw/zinc/05/33/58/572053358.db2.gz AAHQLEHFOOTGNQ-WCQYABFASA-N 1 0 197.366 3.578 10 0 AHAERO C[C@@H]1CCC[C@@](C[NH3+])(CC(C)(C)C)C1 ZINC000713207102 572054067 /nfs/dbraw/zinc/05/40/67/572054067.db2.gz AAHQLEHFOOTGNQ-YPMHNXCESA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H]1CC[C@@](C[NH3+])(CC(C)(C)C)C1 ZINC000713208973 572065832 /nfs/dbraw/zinc/06/58/32/572065832.db2.gz GNTFRXLQSLUZLE-AAEUAGOBSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CC[C@](C[NH3+])(CC(C)(C)C)C1 ZINC000713208975 572066971 /nfs/dbraw/zinc/06/69/71/572066971.db2.gz GNTFRXLQSLUZLE-DGCLKSJQSA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@H]1CC[C@](C[NH3+])(CC(C)(C)C)C1 ZINC000713208990 572066705 /nfs/dbraw/zinc/06/67/05/572066705.db2.gz GNTFRXLQSLUZLE-WCQYABFASA-N 1 0 197.366 3.578 10 0 AHAERO CC[C@@H]1CC[C@@](C[NH3+])(CC(C)(C)C)C1 ZINC000713208997 572064854 /nfs/dbraw/zinc/06/48/54/572064854.db2.gz GNTFRXLQSLUZLE-YPMHNXCESA-N 1 0 197.366 3.578 10 0 AHAERO CCC(C)(C)C[C@]1(C[NH3+])CC[C@H](C)C1 ZINC000713214938 572102163 /nfs/dbraw/zinc/10/21/63/572102163.db2.gz YCBGCMLIKMEGNJ-AAEUAGOBSA-N 1 0 197.366 3.578 10 0 AHAERO CCC(C)(C)C[C@@]1(C[NH3+])CC[C@@H](C)C1 ZINC000713214941 572103649 /nfs/dbraw/zinc/10/36/49/572103649.db2.gz YCBGCMLIKMEGNJ-DGCLKSJQSA-N 1 0 197.366 3.578 10 0 AHAERO CCC(C)(C)C[C@@]1(C[NH3+])CC[C@H](C)C1 ZINC000713214943 572102862 /nfs/dbraw/zinc/10/28/62/572102862.db2.gz YCBGCMLIKMEGNJ-WCQYABFASA-N 1 0 197.366 3.578 10 0 AHAERO CCC(C)(C)C[C@]1(C[NH3+])CC[C@@H](C)C1 ZINC000713214946 572103408 /nfs/dbraw/zinc/10/34/08/572103408.db2.gz YCBGCMLIKMEGNJ-YPMHNXCESA-N 1 0 197.366 3.578 10 0 AHAERO CCC[C@@]([NH3+])(CC(C)(C)C)C1CCC1 ZINC000713218673 572117931 /nfs/dbraw/zinc/11/79/31/572117931.db2.gz DFCVPSOZVODLNM-CYBMUJFWSA-N 1 0 197.366 3.720 10 0 AHAERO CCC[C@]([NH3+])(CC(C)(C)C)C1CCC1 ZINC000713218675 572118206 /nfs/dbraw/zinc/11/82/06/572118206.db2.gz DFCVPSOZVODLNM-ZDUSSCGKSA-N 1 0 197.366 3.720 10 0 AHAERO CC[NH2+]C[C@](C)(CC)CC(C)(C)CC ZINC000713218873 572119891 /nfs/dbraw/zinc/11/98/91/572119891.db2.gz BUMOSJRERWIYFR-CYBMUJFWSA-N 1 0 199.382 3.839 10 0 AHAERO CC[NH2+]C[C@@](C)(CC)CC(C)(C)CC ZINC000713218875 572122064 /nfs/dbraw/zinc/12/20/64/572122064.db2.gz BUMOSJRERWIYFR-ZDUSSCGKSA-N 1 0 199.382 3.839 10 0 AHAERO CCC(C)(C)C[C@@]1([NH3+])CCCC[C@@H]1C ZINC000713219144 572123670 /nfs/dbraw/zinc/12/36/70/572123670.db2.gz GBFYNEOYIKGJEW-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)C[C@]1([NH3+])CCCC[C@H]1C ZINC000713219155 572124031 /nfs/dbraw/zinc/12/40/31/572124031.db2.gz GBFYNEOYIKGJEW-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)C[C@]1([NH3+])CCCC[C@@H]1C ZINC000713219160 572123543 /nfs/dbraw/zinc/12/35/43/572123543.db2.gz GBFYNEOYIKGJEW-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)C[C@@]1([NH3+])CCCC[C@H]1C ZINC000713219165 572122485 /nfs/dbraw/zinc/12/24/85/572122485.db2.gz GBFYNEOYIKGJEW-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)CC1([NH3+])CCCCCC1 ZINC000713219241 572126185 /nfs/dbraw/zinc/12/61/85/572126185.db2.gz HJBRHUFCWPLOMO-UHFFFAOYSA-N 1 0 197.366 3.864 10 0 AHAERO CCC[NH2+]C[C@H](CC)CC(C)(C)CC ZINC000713219495 572130586 /nfs/dbraw/zinc/13/05/86/572130586.db2.gz FAHHQDIRHYZMRM-GFCCVEGCSA-N 1 0 199.382 3.839 10 0 AHAERO CCC[NH2+]C[C@@H](CC)CC(C)(C)CC ZINC000713219496 572130568 /nfs/dbraw/zinc/13/05/68/572130568.db2.gz FAHHQDIRHYZMRM-LBPRGKRZSA-N 1 0 199.382 3.839 10 0 AHAERO CC[C@@H](C[NH2+]C1CC1)CC(C)(C)CC ZINC000713220804 572151562 /nfs/dbraw/zinc/15/15/62/572151562.db2.gz IGFKCVPDYOASLQ-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@H](C[NH2+]C1CC1)CC(C)(C)CC ZINC000713220807 572150354 /nfs/dbraw/zinc/15/03/54/572150354.db2.gz IGFKCVPDYOASLQ-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC(C)(C)CC1([NH3+])CCC(C)CC1 ZINC000713221990 572165974 /nfs/dbraw/zinc/16/59/74/572165974.db2.gz XYNALVOOURAENO-UHFFFAOYSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CC[C@@]([NH3+])(CC(C)(C)CC)C1 ZINC000713222423 572174940 /nfs/dbraw/zinc/17/49/40/572174940.db2.gz YVPZRETYQQNPPE-AAEUAGOBSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]1CC[C@]([NH3+])(CC(C)(C)CC)C1 ZINC000713222425 572175155 /nfs/dbraw/zinc/17/51/55/572175155.db2.gz YVPZRETYQQNPPE-DGCLKSJQSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H]1CC[C@]([NH3+])(CC(C)(C)CC)C1 ZINC000713222426 572173941 /nfs/dbraw/zinc/17/39/41/572173941.db2.gz YVPZRETYQQNPPE-WCQYABFASA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@@H]1CC[C@@]([NH3+])(CC(C)(C)CC)C1 ZINC000713222428 572175177 /nfs/dbraw/zinc/17/51/77/572175177.db2.gz YVPZRETYQQNPPE-YPMHNXCESA-N 1 0 197.366 3.720 10 0 AHAERO CCCC(C)(C)[NH2+]CC(C)(C)C(C)C ZINC000713222492 572195336 /nfs/dbraw/zinc/19/53/36/572195336.db2.gz ZULFUCKXDFZOFV-UHFFFAOYSA-N 1 0 199.382 3.837 10 0 AHAERO CCC(C)(C)C[C@@]1(C[NH3+])CCC[C@@H]1C ZINC000713229864 572213295 /nfs/dbraw/zinc/21/32/95/572213295.db2.gz XFRUVNSPQHVMQT-WCQYABFASA-N 1 0 197.366 3.578 10 0 AHAERO CCC(C)(C)C[C@]1(C[NH3+])CCC[C@H]1C ZINC000713229867 572212327 /nfs/dbraw/zinc/21/23/27/572212327.db2.gz XFRUVNSPQHVMQT-YPMHNXCESA-N 1 0 197.366 3.578 10 0 AHAERO CCC(C)(C)C[C@@H]([NH3+])C1(C)CCCC1 ZINC000713230538 572213637 /nfs/dbraw/zinc/21/36/37/572213637.db2.gz JETJIMXXTXDOGH-LLVKDONJSA-N 1 0 197.366 3.720 10 0 AHAERO CCC(C)(C)C[C@H]([NH3+])C1(C)CCCC1 ZINC000713230540 572211430 /nfs/dbraw/zinc/21/14/30/572211430.db2.gz JETJIMXXTXDOGH-NSHDSACASA-N 1 0 197.366 3.720 10 0 AHAERO CC[NH2+]CC1(CC(C)(C)C)CCCC1 ZINC000713240059 572333325 /nfs/dbraw/zinc/33/33/25/572333325.db2.gz BHKKGZJQSFIFTP-UHFFFAOYSA-N 1 0 197.366 3.593 10 0 AHAERO CCC(C)(C)C[C@H](CC1(C)CC1)[NH2+]C ZINC000713243896 572376327 /nfs/dbraw/zinc/37/63/27/572376327.db2.gz TVLMHLNVWYHNPC-LLVKDONJSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(C)(C)C[C@@H](CC1(C)CC1)[NH2+]C ZINC000713243899 572378082 /nfs/dbraw/zinc/37/80/82/572378082.db2.gz TVLMHLNVWYHNPC-NSHDSACASA-N 1 0 197.366 3.591 10 0 AHAERO CCC[C@]1(CC(C)(C)CC)CCC[NH2+]1 ZINC000713246179 572389657 /nfs/dbraw/zinc/38/96/57/572389657.db2.gz DRRQAVRDUQLQMQ-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[C@@]1(CC(C)(C)CC)CCC[NH2+]1 ZINC000713246181 572392649 /nfs/dbraw/zinc/39/26/49/572392649.db2.gz DRRQAVRDUQLQMQ-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC[NH2+][C@@H](C)[C@@H](CC)CC(C)(C)C ZINC000713246296 572405246 /nfs/dbraw/zinc/40/52/46/572405246.db2.gz WJTXLLKPLDFLTB-RYUDHWBXSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@H](C)[C@H](CC)CC(C)(C)C ZINC000713246300 572407010 /nfs/dbraw/zinc/40/70/10/572407010.db2.gz WJTXLLKPLDFLTB-VXGBXAGGSA-N 1 0 199.382 3.837 10 0 AHAERO CC[NH2+][C@H](C)[C@@H](CC(C)(C)C)C(C)C ZINC000713247140 572400360 /nfs/dbraw/zinc/40/03/60/572400360.db2.gz ZFCLGECWGKUXFL-NEPJUHHUSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@@H](C)[C@H](CC(C)(C)C)C(C)C ZINC000713247153 572401644 /nfs/dbraw/zinc/40/16/44/572401644.db2.gz ZFCLGECWGKUXFL-NWDGAFQWSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@@H](C)[C@@H](CC(C)(C)C)C(C)C ZINC000713247158 572403443 /nfs/dbraw/zinc/40/34/43/572403443.db2.gz ZFCLGECWGKUXFL-RYUDHWBXSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@H](C)[C@H](CC(C)(C)C)C(C)C ZINC000713247167 572400215 /nfs/dbraw/zinc/40/02/15/572400215.db2.gz ZFCLGECWGKUXFL-VXGBXAGGSA-N 1 0 199.382 3.693 10 0 AHAERO CC[C@]1(CC(C)(C)C(C)C)CCC[NH2+]1 ZINC000713247363 572401380 /nfs/dbraw/zinc/40/13/80/572401380.db2.gz JEXWWZXRLWOHNU-CYBMUJFWSA-N 1 0 197.366 3.591 10 0 AHAERO CC[C@@]1(CC(C)(C)C(C)C)CCC[NH2+]1 ZINC000713247366 572403512 /nfs/dbraw/zinc/40/35/12/572403512.db2.gz JEXWWZXRLWOHNU-ZDUSSCGKSA-N 1 0 197.366 3.591 10 0 AHAERO CC(C)C(C)(C)C[C@H]([NH3+])CC1CCC1 ZINC000713248180 572419146 /nfs/dbraw/zinc/41/91/46/572419146.db2.gz MIYSWLHJPBDVMY-GFCCVEGCSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)C(C)(C)C[C@@H]([NH3+])CC1CCC1 ZINC000713248182 572418854 /nfs/dbraw/zinc/41/88/54/572418854.db2.gz MIYSWLHJPBDVMY-LBPRGKRZSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(C)(C)C[C@@]1(C)CCCCC[NH2+]1 ZINC000713248184 572419643 /nfs/dbraw/zinc/41/96/43/572419643.db2.gz MJPSRUCEIHIBSA-CYBMUJFWSA-N 1 0 197.366 3.735 10 0 AHAERO CCC(C)(C)C[C@]1(C)CCCCC[NH2+]1 ZINC000713248186 572420480 /nfs/dbraw/zinc/42/04/80/572420480.db2.gz MJPSRUCEIHIBSA-ZDUSSCGKSA-N 1 0 197.366 3.735 10 0 AHAERO CCC(C)(C)C[C@@H]([NH3+])CC(C)(C)C ZINC000713248934 572438926 /nfs/dbraw/zinc/43/89/26/572438926.db2.gz PYVACFKPYFZEIU-JTQLQIEISA-N 1 0 185.355 3.576 10 0 AHAERO CCC(C)(C)C[C@H]([NH3+])CC(C)(C)C ZINC000713248936 572441270 /nfs/dbraw/zinc/44/12/70/572441270.db2.gz PYVACFKPYFZEIU-SNVBAGLBSA-N 1 0 185.355 3.576 10 0 AHAERO CC[NH2+][C@H](CC(C)(C)C(C)C)C(C)C ZINC000713248938 572438360 /nfs/dbraw/zinc/43/83/60/572438360.db2.gz PZDJYISGPYFZGX-GFCCVEGCSA-N 1 0 199.382 3.693 10 0 AHAERO CC[NH2+][C@@H](CC(C)(C)C(C)C)C(C)C ZINC000713248939 572438284 /nfs/dbraw/zinc/43/82/84/572438284.db2.gz PZDJYISGPYFZGX-LBPRGKRZSA-N 1 0 199.382 3.693 10 0 AHAERO CC(C)C[NH2+]CC(C)(C)CC(C)(C)C ZINC000713250976 572437220 /nfs/dbraw/zinc/43/72/20/572437220.db2.gz LLCWGLCCEUMNES-UHFFFAOYSA-N 1 0 199.382 3.694 10 0 AHAERO CCC[NH2+][C@H](CC)CC(C)(C)C(C)C ZINC000713251470 572452089 /nfs/dbraw/zinc/45/20/89/572452089.db2.gz XYMQFYYDFYEXBS-GFCCVEGCSA-N 1 0 199.382 3.837 10 0 AHAERO CCC[NH2+][C@@H](CC)CC(C)(C)C(C)C ZINC000713251471 572451085 /nfs/dbraw/zinc/45/10/85/572451085.db2.gz XYMQFYYDFYEXBS-LBPRGKRZSA-N 1 0 199.382 3.837 10 0 AHAERO C[NH2+][C@H](CC(C)C)CC(C)(C)C(C)C ZINC000713251525 572453711 /nfs/dbraw/zinc/45/37/11/572453711.db2.gz YJQDGTCXLGAKMT-GFCCVEGCSA-N 1 0 199.382 3.693 10 0 AHAERO C[NH2+][C@@H](CC(C)C)CC(C)(C)C(C)C ZINC000713251526 572452327 /nfs/dbraw/zinc/45/23/27/572452327.db2.gz YJQDGTCXLGAKMT-LBPRGKRZSA-N 1 0 199.382 3.693 10 0 AHAERO CCC(C)(C)C[C@@H]([NH3+])C1(C(C)C)CC1 ZINC000713264509 572495221 /nfs/dbraw/zinc/49/52/21/572495221.db2.gz UZEZXNYHGOTSRN-LLVKDONJSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(C)(C)C[C@H]([NH3+])C1(C(C)C)CC1 ZINC000713264510 572494985 /nfs/dbraw/zinc/49/49/85/572494985.db2.gz UZEZXNYHGOTSRN-NSHDSACASA-N 1 0 197.366 3.576 10 0 AHAERO CCCC1([NH2+]CC(C)(C)C(C)C)CC1 ZINC000713266199 572501001 /nfs/dbraw/zinc/50/10/01/572501001.db2.gz UNFLTBJKFWEOPV-UHFFFAOYSA-N 1 0 197.366 3.591 10 0 AHAERO CCC(C)(C)C[C@](C)([NH3+])[C@H]1CC1(C)C ZINC000713270029 572510513 /nfs/dbraw/zinc/51/05/13/572510513.db2.gz AKNGBSHATHAGGG-GWCFXTLKSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(C)(C)C[C@@](C)([NH3+])[C@H]1CC1(C)C ZINC000713270032 572514855 /nfs/dbraw/zinc/51/48/55/572514855.db2.gz AKNGBSHATHAGGG-GXFFZTMASA-N 1 0 197.366 3.576 10 0 AHAERO CCC(C)(C)C[C@](C)([NH3+])[C@@H]1CC1(C)C ZINC000713270037 572515425 /nfs/dbraw/zinc/51/54/25/572515425.db2.gz AKNGBSHATHAGGG-MFKMUULPSA-N 1 0 197.366 3.576 10 0 AHAERO CCC(C)(C)C[C@@](C)([NH3+])[C@@H]1CC1(C)C ZINC000713270040 572515408 /nfs/dbraw/zinc/51/54/08/572515408.db2.gz AKNGBSHATHAGGG-ZWNOBZJWSA-N 1 0 197.366 3.576 10 0 AHAERO C=C/C=C\CC[NH2+]C(CCC)CCC ZINC000713485116 572743476 /nfs/dbraw/zinc/74/34/76/572743476.db2.gz LIBBUHTZVUDVIN-FPLPWBNLSA-N 1 0 195.350 3.677 10 0 AHAERO CCC[C@@]1([NH+](C)C)C[C@H](C)C[C@H](C)C1 ZINC000713494545 572757534 /nfs/dbraw/zinc/75/75/34/572757534.db2.gz BOKAPQCDWIFPBD-CLLJXQQHSA-N 1 0 197.366 3.543 10 0 AHAERO CCCC1([NH+](C)C)C[C@@H](C)C[C@H](C)C1 ZINC000713494700 572760633 /nfs/dbraw/zinc/76/06/33/572760633.db2.gz BOKAPQCDWIFPBD-RYUDHWBXSA-N 1 0 197.366 3.543 10 0 AHAERO CCCC1([NH+](C)C)C[C@H](C)C[C@@H](C)C1 ZINC000713494722 572760615 /nfs/dbraw/zinc/76/06/15/572760615.db2.gz BOKAPQCDWIFPBD-VXGBXAGGSA-N 1 0 197.366 3.543 10 0 AHAERO C=C/C=C/CC[C@H](C)[C@@H](C)[NH2+]C(C)C ZINC000713659761 572968952 /nfs/dbraw/zinc/96/89/52/572968952.db2.gz LXYSSFQKXYOUQI-AHYBDNRGSA-N 1 0 195.350 3.531 10 0 AHAERO C=C/C=C/CC[C@H](C)[C@H](C)[NH2+]C(C)C ZINC000713659767 572969091 /nfs/dbraw/zinc/96/90/91/572969091.db2.gz LXYSSFQKXYOUQI-FVWNJDPFSA-N 1 0 195.350 3.531 10 0 AHAERO C=C/C=C\CC[C@H](C)[C@H](C)[NH2+]C(C)C ZINC000713659773 572968966 /nfs/dbraw/zinc/96/89/66/572968966.db2.gz LXYSSFQKXYOUQI-YHQHFJRFSA-N 1 0 195.350 3.531 10 0 AHAERO C=C/C=C\CC[C@H](C)[C@@H](C)[NH2+]C(C)C ZINC000713659775 572969426 /nfs/dbraw/zinc/96/94/26/572969426.db2.gz LXYSSFQKXYOUQI-YMVSPQSISA-N 1 0 195.350 3.531 10 0 AHAERO C=C/C=C/CC[C@@H]([NH2+]CC)C(C)(C)C ZINC000713678722 572334151 /nfs/dbraw/zinc/33/41/51/572334151.db2.gz LXESUGLIBPVUOF-IDVQTMNDSA-N 1 0 195.350 3.533 10 0 AHAERO C=C/C=C\CC[C@@H]([NH2+]CC)C(C)(C)C ZINC000713678727 572334064 /nfs/dbraw/zinc/33/40/64/572334064.db2.gz LXESUGLIBPVUOF-JLVNDZCYSA-N 1 0 195.350 3.533 10 0 AHAERO C=C/C=C\CC[C@H]([NH2+]CC)C(C)(C)C ZINC000713678730 572335410 /nfs/dbraw/zinc/33/54/10/572335410.db2.gz LXESUGLIBPVUOF-LAUAKBEESA-N 1 0 195.350 3.533 10 0 AHAERO C=C/C=C\CC[C@H]([NH3+])[C@@H](C)CC(C)C ZINC000713680890 572338042 /nfs/dbraw/zinc/33/80/42/572338042.db2.gz DCMXCUFQZVZDFY-JSIVBPPZSA-N 1 0 195.350 3.518 10 0 AHAERO C=C/C=C/CC[C@H]([NH3+])[C@H](C)CC(C)C ZINC000713680891 572339243 /nfs/dbraw/zinc/33/92/43/572339243.db2.gz DCMXCUFQZVZDFY-VWWYUBIBSA-N 1 0 195.350 3.518 10 0 AHAERO C=C/C=C/CC[C@H]([NH3+])[C@@H](C)CC(C)C ZINC000713680892 572337846 /nfs/dbraw/zinc/33/78/46/572337846.db2.gz DCMXCUFQZVZDFY-XKZLPGLHSA-N 1 0 195.350 3.518 10 0 AHAERO C=C/C=C/CC[C@@](C)(CC)C[NH2+]CC ZINC000713701184 572400068 /nfs/dbraw/zinc/40/00/68/572400068.db2.gz NVVVUFNCYWFKEO-MMQHEFTJSA-N 1 0 195.350 3.535 10 0 AHAERO C=C/C=C/CC[C@](C)(CC)C[NH2+]CC ZINC000713701188 572399875 /nfs/dbraw/zinc/39/98/75/572399875.db2.gz NVVVUFNCYWFKEO-XEHSLEBBSA-N 1 0 195.350 3.535 10 0 AHAERO C=C/C=C\CC[C@](C)(CC)C[NH2+]CC ZINC000713701189 572399149 /nfs/dbraw/zinc/39/91/49/572399149.db2.gz NVVVUFNCYWFKEO-YXVBKTCISA-N 1 0 195.350 3.535 10 0 AHAERO C=C/C=C\CCCC[C@H](C)[NH2+]CCC ZINC000713728610 572620061 /nfs/dbraw/zinc/62/00/61/572620061.db2.gz LQXPWHWZDLJUBZ-FWWRYZNZSA-N 1 0 195.350 3.677 10 0 AHAERO C=C/C=C/CCCC[C@@H](C)[NH2+]CCC ZINC000713728612 572622070 /nfs/dbraw/zinc/62/20/70/572622070.db2.gz LQXPWHWZDLJUBZ-KTRBRXNASA-N 1 0 195.350 3.677 10 0 AHAERO C=C/C=C/CCCC[C@H](C)[NH2+]CCC ZINC000713728615 572621127 /nfs/dbraw/zinc/62/11/27/572621127.db2.gz LQXPWHWZDLJUBZ-YBJDMEARSA-N 1 0 195.350 3.677 10 0 AHAERO C=C/C=C/CCC[C@H](C)C[NH2+]C(C)C ZINC000713732077 572679408 /nfs/dbraw/zinc/67/94/08/572679408.db2.gz RJFWNBYYXLURNE-YBJDMEARSA-N 1 0 195.350 3.533 10 0 AHAERO C=C/C=C/CC[C@H](CCCCC)[NH2+]C ZINC000713737620 572721874 /nfs/dbraw/zinc/72/18/74/572721874.db2.gz KGELZZIPAGFSJU-CFNZNRNTSA-N 1 0 195.350 3.677 10 0 AHAERO C=C/C=C\CC[C@@H](CCCCC)[NH2+]C ZINC000713737621 572722149 /nfs/dbraw/zinc/72/21/49/572722149.db2.gz KGELZZIPAGFSJU-FWPCIQOSSA-N 1 0 195.350 3.677 10 0 AHAERO C=C/C=C/CC[C@@H](CCCCC)[NH2+]C ZINC000713737622 572721992 /nfs/dbraw/zinc/72/19/92/572721992.db2.gz KGELZZIPAGFSJU-STMXVASLSA-N 1 0 195.350 3.677 10 0 AHAERO C=C/C=C\CC[C@H](CCCCC)[NH2+]C ZINC000713737623 572724561 /nfs/dbraw/zinc/72/45/61/572724561.db2.gz KGELZZIPAGFSJU-WOLRVDTOSA-N 1 0 195.350 3.677 10 0 AHAERO CC[C@@H](C)CC[NH2+]CCCCC1CC1 ZINC000716359809 573903961 /nfs/dbraw/zinc/90/39/61/573903961.db2.gz ZMXFWUYFCQTJRL-GFCCVEGCSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@H](C)CC[NH2+]CCCCC1CC1 ZINC000716359814 573901628 /nfs/dbraw/zinc/90/16/28/573901628.db2.gz ZMXFWUYFCQTJRL-LBPRGKRZSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CCCC[C@]1(C)CC1(C)C ZINC000717099095 573076593 /nfs/dbraw/zinc/07/65/93/573076593.db2.gz RQDJLKQTBMIXJA-CYBMUJFWSA-N 1 0 197.366 3.593 10 0 AHAERO CCC[NH2+]CCCC[C@@]1(C)CC1(C)C ZINC000717099096 573077593 /nfs/dbraw/zinc/07/75/93/573077593.db2.gz RQDJLKQTBMIXJA-ZDUSSCGKSA-N 1 0 197.366 3.593 10 0 AHAERO CC[C@H](C)[NH2+][C@@H]1CC(C)(C)CC[C@@H]1C ZINC000717502466 573592667 /nfs/dbraw/zinc/59/26/67/573592667.db2.gz OORUHSKUAPQKNG-SDDRHHMPSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)[NH2+][C@H]1CC(C)(C)CC[C@@H]1C ZINC000717502467 573590144 /nfs/dbraw/zinc/59/01/44/573590144.db2.gz OORUHSKUAPQKNG-SRVKXCTJSA-N 1 0 197.366 3.589 10 0 AHAERO CC[C@H](C)[NH2+][C@H]1CC(C)(C)CC[C@H]1C ZINC000717502469 573589010 /nfs/dbraw/zinc/58/90/10/573589010.db2.gz OORUHSKUAPQKNG-WOPDTQHZSA-N 1 0 197.366 3.589 10 0 AHAERO CC(C)CC[C@H]1CCC(C)(C)C[C@H]1[NH3+] ZINC000717516940 573635261 /nfs/dbraw/zinc/63/52/61/573635261.db2.gz NNURENUQNWITSU-NWDGAFQWSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@H]1CCC(C)(C)C[C@@H]1[NH3+] ZINC000717516941 573635166 /nfs/dbraw/zinc/63/51/66/573635166.db2.gz NNURENUQNWITSU-RYUDHWBXSA-N 1 0 197.366 3.576 10 0 AHAERO CC(C)CC[C@@H]1CCC(C)(C)C[C@H]1[NH3+] ZINC000717516943 573632397 /nfs/dbraw/zinc/63/23/97/573632397.db2.gz NNURENUQNWITSU-VXGBXAGGSA-N 1 0 197.366 3.576 10 0 AHAERO CCCCC[C@@H]1CCC(C)(C)C[C@@H]1[NH3+] ZINC000717517513 573633675 /nfs/dbraw/zinc/63/36/75/573633675.db2.gz PDEWPSDIWNMSPX-NEPJUHHUSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@H]1CCC(C)(C)C[C@H]1[NH3+] ZINC000717517514 573632546 /nfs/dbraw/zinc/63/25/46/573632546.db2.gz PDEWPSDIWNMSPX-NWDGAFQWSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@H]1CCC(C)(C)C[C@@H]1[NH3+] ZINC000717517515 573635675 /nfs/dbraw/zinc/63/56/75/573635675.db2.gz PDEWPSDIWNMSPX-RYUDHWBXSA-N 1 0 197.366 3.720 10 0 AHAERO CCCCC[C@@H]1CCC(C)(C)C[C@H]1[NH3+] ZINC000717517516 573634752 /nfs/dbraw/zinc/63/47/52/573634752.db2.gz PDEWPSDIWNMSPX-VXGBXAGGSA-N 1 0 197.366 3.720 10 0 AHAERO CC[C@H](C)C[C@H]1CCC(C)(C)C[C@H]1[NH3+] ZINC000717518665 573651528 /nfs/dbraw/zinc/65/15/28/573651528.db2.gz SNGCTXPQOCLTJJ-QJPTWQEYSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@@H]1CCC(C)(C)C[C@H]1[NH3+] ZINC000717518666 573652176 /nfs/dbraw/zinc/65/21/76/573652176.db2.gz SNGCTXPQOCLTJJ-SDDRHHMPSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@@H]1CCC(C)(C)C[C@@H]1[NH3+] ZINC000717518667 573651865 /nfs/dbraw/zinc/65/18/65/573651865.db2.gz SNGCTXPQOCLTJJ-SRVKXCTJSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@H](C)C[C@H]1CCC(C)(C)C[C@@H]1[NH3+] ZINC000717518668 573652438 /nfs/dbraw/zinc/65/24/38/573652438.db2.gz SNGCTXPQOCLTJJ-TUAOUCFPSA-N 1 0 197.366 3.576 10 0 AHAERO CC[C@@H](C)C[NH2+][C@@H]1CCC=CCCC1 ZINC000725241451 537889836 /nfs/dbraw/zinc/88/98/36/537889836.db2.gz FMNAGLQUNCMAKN-CHWSQXEVSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@@H](C)C[NH2+][C@H]1CCC=CCCC1 ZINC000725241452 537889717 /nfs/dbraw/zinc/88/97/17/537889717.db2.gz FMNAGLQUNCMAKN-OLZOCXBDSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H](C)C[NH2+][C@@H]1CCC=CCCC1 ZINC000725241454 537887663 /nfs/dbraw/zinc/88/76/63/537887663.db2.gz FMNAGLQUNCMAKN-QWHCGFSZSA-N 1 0 195.350 3.511 10 0 AHAERO CC[C@H](C)C[NH2+][C@H]1CCC=CCCC1 ZINC000725241455 537888613 /nfs/dbraw/zinc/88/86/13/537888613.db2.gz FMNAGLQUNCMAKN-STQMWFEESA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)CC[NH2+][C@@H]1CCC=CCCC1 ZINC000725241586 537887714 /nfs/dbraw/zinc/88/77/14/537887714.db2.gz INZVFNIWYSSZFM-CYBMUJFWSA-N 1 0 195.350 3.511 10 0 AHAERO CC(C)CC[NH2+][C@H]1CCC=CCCC1 ZINC000725241587 537890024 /nfs/dbraw/zinc/89/00/24/537890024.db2.gz INZVFNIWYSSZFM-ZDUSSCGKSA-N 1 0 195.350 3.511 10 0 AHAERO CCCC1CCC(C(C)(C)C[NH3+])CC1 ZINC000725261416 537927321 /nfs/dbraw/zinc/92/73/21/537927321.db2.gz KWSRFZVCDQMXPQ-UHFFFAOYSA-N 1 0 197.366 3.578 10 0 AHAERO CC(C)(C)C1CCC(C(C)(C)[NH3+])CC1 ZINC000725261491 537924449 /nfs/dbraw/zinc/92/44/49/537924449.db2.gz VEQYWYABJXZLDQ-UHFFFAOYSA-N 1 0 197.366 3.576 10 0 AHAERO